# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/fc8ff807-c017-4350-864c-6180a7d3597d/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for KTiPS5 / C2/m (12) / materials id 560977](https://mdr.nims.go.jp/datasets/02e6d3e5-eadc-4829-982b-36f0b0e9ee02) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 16:41:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 8.754688399586193 -3.515765700000000 0.000000000000000 b 8.754688399586193 3.515765700000000 0.000000000000000 c -0.899336943645806 0.000000000000000 6.340968683393382Atomic positions (fractional): *1 K 0.22893299740238 0.22893299740238 0.22806648891556 39.098 2 K 0.77106700259762 0.77106700259762 0.77193351108444 39.098 *3 Ti 0.77696725693865 0.22303274306135 0.00000000000000 47.867 4 Ti 0.22303274306135 0.77696725693865 0.00000000000000 47.867 *5 P 0.63280119373107 0.63280119373107 0.21471101000820 30.974 6 P 0.36719880626893 0.36719880626893 0.78528898999180 30.974 *7 S 0.65123545552193 0.18111347054181 0.66849877109362 32.065 *8 S 0.25227272114183 0.25227272114183 0.73836740021656 32.065 9 S 0.34876454447807 0.81888652945819 0.33150122890638 32.065 *10 S 0.58562271921870 0.58562271921870 0.89761435141393 32.065 11 S 0.81888652945819 0.34876454447807 0.33150122890638 32.065 *12 S 0.06193174185478 0.06193174185478 0.82546262973693 32.065 13 S 0.93806825814522 0.93806825814522 0.17453737026307 32.065 14 S 0.41437728078130 0.41437728078130 0.10238564858607 32.065 15 S 0.18111347054181 0.65123545552193 0.66849877109362 32.065 16 S 0.74772727885817 0.74772727885817 0.26163259978344 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 17.509376799172387 0.000000000000000 0.000000000000000 b 0.000000000000000 7.031531400000000 0.000000000000000 c -0.899336943645806 0.000000000000000 6.340968683393382Atomic positions (fractional): *1 K 0.22893299740238 0.00000000000000 0.22806648891556 39.098 > 1 2 K 0.27106700259762 0.50000000000000 0.77193351108444 39.098 > 2 3 K 0.72893299740238 0.50000000000000 0.22806648891556 39.098 > 1 4 K 0.77106700259762 0.00000000000000 0.77193351108444 39.098 > 2 *5 Ti 0.00000000000000 0.22303274306135 0.00000000000000 47.867 > 3 6 Ti 0.00000000000000 0.77696725693865 0.00000000000000 47.867 > 4 7 Ti 0.50000000000000 0.72303274306135 0.00000000000000 47.867 > 3 8 Ti 0.50000000000000 0.27696725693865 0.00000000000000 47.867 > 4 *9 P 0.13280119373107 0.50000000000000 0.21471101000820 30.974 > 5 10 P 0.36719880626893 0.00000000000000 0.78528898999180 30.974 > 6 11 P 0.63280119373107 0.00000000000000 0.21471101000820 30.974 > 5 12 P 0.86719880626893 0.50000000000000 0.78528898999180 30.974 > 6 *13 S 0.41617446303187 0.76493900750994 0.66849877109362 32.065 > 7 *14 S 0.25227272114183 0.00000000000000 0.73836740021656 32.065 > 8 15 S 0.08382553696813 0.73506099249006 0.33150122890638 32.065 > 9 *16 S 0.08562271921870 0.50000000000000 0.89761435141393 32.065 > 10 17 S 0.08382553696813 0.26493900750994 0.33150122890638 32.065 > 11 *18 S 0.06193174185478 0.00000000000000 0.82546262973693 32.065 > 12 19 S 0.43806825814522 0.50000000000000 0.17453737026307 32.065 > 13 20 S 0.41437728078130 0.00000000000000 0.10238564858607 32.065 > 14 21 S 0.41617446303187 0.23506099249006 0.66849877109362 32.065 > 15 22 S 0.24772727885817 0.50000000000000 0.26163259978344 32.065 > 16 23 S 0.91617446303187 0.26493900750994 0.66849877109362 32.065 > 7 24 S 0.75227272114183 0.50000000000000 0.73836740021656 32.065 > 8 25 S 0.58382553696813 0.23506099249006 0.33150122890638 32.065 > 9 26 S 0.58562271921870 0.00000000000000 0.89761435141393 32.065 > 10 27 S 0.58382553696813 0.76493900750994 0.33150122890638 32.065 > 11 28 S 0.56193174185478 0.50000000000000 0.82546262973693 32.065 > 12 29 S 0.93806825814522 0.00000000000000 0.17453737026307 32.065 > 13 30 S 0.91437728078130 0.50000000000000 0.10238564858607 32.065 > 14 31 S 0.91617446303187 0.73506099249006 0.66849877109362 32.065 > 15 32 S 0.74772727885817 0.00000000000000 0.26163259978344 32.065 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 17.509376799172387 0.000000000000000 0.000000000000000 b 0.000000000000000 14.063062800000001 0.000000000000000 c -1.798673887291612 0.000000000000000 12.681937366786764Atomic positions (fractional): *1 K 0.22893299740238 0.00000000000000 0.11403324445778 39.098 > 1 2 K 0.22893299740238 0.50000000000000 0.11403324445778 39.098 > 1 3 K 0.22893299740238 0.00000000000000 0.61403324445778 39.098 > 1 4 K 0.22893299740238 0.50000000000000 0.61403324445778 39.098 > 1 5 K 0.27106700259762 0.25000000000000 0.38596675554222 39.098 > 2 6 K 0.27106700259762 0.75000000000000 0.38596675554222 39.098 > 2 7 K 0.27106700259762 0.25000000000000 0.88596675554222 39.098 > 2 8 K 0.27106700259762 0.75000000000000 0.88596675554222 39.098 > 2 9 K 0.72893299740238 0.25000000000000 0.11403324445778 39.098 > 1 10 K 0.72893299740238 0.75000000000000 0.11403324445778 39.098 > 1 11 K 0.72893299740238 0.25000000000000 0.61403324445778 39.098 > 1 12 K 0.72893299740238 0.75000000000000 0.61403324445778 39.098 > 1 13 K 0.77106700259762 0.00000000000000 0.38596675554222 39.098 > 2 14 K 0.77106700259762 0.50000000000000 0.38596675554222 39.098 > 2 15 K 0.77106700259762 0.00000000000000 0.88596675554222 39.098 > 2 16 K 0.77106700259762 0.50000000000000 0.88596675554222 39.098 > 2 *17 Ti 0.00000000000000 0.11151637153068 0.00000000000000 47.867 > 3 18 Ti 0.00000000000000 0.61151637153068 0.00000000000000 47.867 > 3 19 Ti 0.00000000000000 0.11151637153068 0.50000000000000 47.867 > 3 20 Ti 0.00000000000000 0.61151637153068 0.50000000000000 47.867 > 3 21 Ti 0.00000000000000 0.38848362846932 0.00000000000000 47.867 > 4 22 Ti 0.00000000000000 0.88848362846932 0.00000000000000 47.867 > 4 23 Ti 0.00000000000000 0.38848362846932 0.50000000000000 47.867 > 4 24 Ti 0.00000000000000 0.88848362846932 0.50000000000000 47.867 > 4 25 Ti 0.50000000000000 0.36151637153068 0.00000000000000 47.867 > 3 26 Ti 0.50000000000000 0.86151637153068 0.00000000000000 47.867 > 3 27 Ti 0.50000000000000 0.36151637153068 0.50000000000000 47.867 > 3 28 Ti 0.50000000000000 0.86151637153068 0.50000000000000 47.867 > 3 29 Ti 0.50000000000000 0.13848362846932 0.00000000000000 47.867 > 4 30 Ti 0.50000000000000 0.63848362846932 0.00000000000000 47.867 > 4 31 Ti 0.50000000000000 0.13848362846932 0.50000000000000 47.867 > 4 32 Ti 0.50000000000000 0.63848362846932 0.50000000000000 47.867 > 4 *33 P 0.13280119373107 0.25000000000000 0.10735550500410 30.974 > 5 34 P 0.13280119373107 0.75000000000000 0.10735550500410 30.974 > 5 35 P 0.13280119373107 0.25000000000000 0.60735550500410 30.974 > 5 36 P 0.13280119373107 0.75000000000000 0.60735550500410 30.974 > 5 37 P 0.36719880626893 0.00000000000000 0.39264449499590 30.974 > 6 38 P 0.36719880626893 0.50000000000000 0.39264449499590 30.974 > 6 39 P 0.36719880626893 0.00000000000000 0.89264449499590 30.974 > 6 40 P 0.36719880626893 0.50000000000000 0.89264449499590 30.974 > 6 41 P 0.63280119373107 0.00000000000000 0.10735550500410 30.974 > 5 42 P 0.63280119373107 0.50000000000000 0.10735550500410 30.974 > 5 43 P 0.63280119373107 0.00000000000000 0.60735550500410 30.974 > 5 44 P 0.63280119373107 0.50000000000000 0.60735550500410 30.974 > 5 45 P 0.86719880626893 0.25000000000000 0.39264449499590 30.974 > 6 46 P 0.86719880626893 0.75000000000000 0.39264449499590 30.974 > 6 47 P 0.86719880626893 0.25000000000000 0.89264449499590 30.974 > 6 48 P 0.86719880626893 0.75000000000000 0.89264449499590 30.974 > 6 *49 S 0.41617446303187 0.38246950375497 0.33424938554681 32.065 > 7 50 S 0.41617446303187 0.88246950375497 0.33424938554681 32.065 > 7 51 S 0.41617446303187 0.38246950375497 0.83424938554681 32.065 > 7 52 S 0.41617446303187 0.88246950375497 0.83424938554681 32.065 > 7 *53 S 0.25227272114183 0.00000000000000 0.36918370010828 32.065 > 8 54 S 0.25227272114183 0.50000000000000 0.36918370010828 32.065 > 8 55 S 0.25227272114183 0.00000000000000 0.86918370010828 32.065 > 8 56 S 0.25227272114183 0.50000000000000 0.86918370010828 32.065 > 8 57 S 0.08382553696813 0.36753049624503 0.16575061445319 32.065 > 9 58 S 0.08382553696813 0.86753049624503 0.16575061445319 32.065 > 9 59 S 0.08382553696813 0.36753049624503 0.66575061445319 32.065 > 9 60 S 0.08382553696813 0.86753049624503 0.66575061445319 32.065 > 9 *61 S 0.08562271921870 0.25000000000000 0.44880717570697 32.065 > 10 62 S 0.08562271921870 0.75000000000000 0.44880717570697 32.065 > 10 63 S 0.08562271921870 0.25000000000000 0.94880717570697 32.065 > 10 64 S 0.08562271921870 0.75000000000000 0.94880717570697 32.065 > 10 65 S 0.08382553696813 0.13246950375497 0.16575061445319 32.065 > 11 66 S 0.08382553696813 0.63246950375497 0.16575061445319 32.065 > 11 67 S 0.08382553696813 0.13246950375497 0.66575061445319 32.065 > 11 68 S 0.08382553696813 0.63246950375497 0.66575061445319 32.065 > 11 *69 S 0.06193174185478 0.00000000000000 0.41273131486846 32.065 > 12 70 S 0.06193174185478 0.50000000000000 0.41273131486846 32.065 > 12 71 S 0.06193174185478 0.00000000000000 0.91273131486846 32.065 > 12 72 S 0.06193174185478 0.50000000000000 0.91273131486846 32.065 > 12 73 S 0.43806825814522 0.25000000000000 0.08726868513154 32.065 > 13 74 S 0.43806825814522 0.75000000000000 0.08726868513154 32.065 > 13 75 S 0.43806825814522 0.25000000000000 0.58726868513154 32.065 > 13 76 S 0.43806825814522 0.75000000000000 0.58726868513154 32.065 > 13 77 S 0.41437728078130 0.00000000000000 0.05119282429303 32.065 > 14 78 S 0.41437728078130 0.50000000000000 0.05119282429303 32.065 > 14 79 S 0.41437728078130 0.00000000000000 0.55119282429303 32.065 > 14 80 S 0.41437728078130 0.50000000000000 0.55119282429303 32.065 > 14 81 S 0.41617446303187 0.11753049624503 0.33424938554681 32.065 > 15 82 S 0.41617446303187 0.61753049624503 0.33424938554681 32.065 > 15 83 S 0.41617446303187 0.11753049624503 0.83424938554681 32.065 > 15 84 S 0.41617446303187 0.61753049624503 0.83424938554681 32.065 > 15 85 S 0.24772727885817 0.25000000000000 0.13081629989172 32.065 > 16 86 S 0.24772727885817 0.75000000000000 0.13081629989172 32.065 > 16 87 S 0.24772727885817 0.25000000000000 0.63081629989172 32.065 > 16 88 S 0.24772727885817 0.75000000000000 0.63081629989172 32.065 > 16 89 S 0.91617446303187 0.13246950375497 0.33424938554681 32.065 > 7 90 S 0.91617446303187 0.63246950375497 0.33424938554681 32.065 > 7 91 S 0.91617446303187 0.13246950375497 0.83424938554681 32.065 > 7 92 S 0.91617446303187 0.63246950375497 0.83424938554681 32.065 > 7 93 S 0.75227272114183 0.25000000000000 0.36918370010828 32.065 > 8 94 S 0.75227272114183 0.75000000000000 0.36918370010828 32.065 > 8 95 S 0.75227272114183 0.25000000000000 0.86918370010828 32.065 > 8 96 S 0.75227272114183 0.75000000000000 0.86918370010828 32.065 > 8 97 S 0.58382553696813 0.11753049624503 0.16575061445319 32.065 > 9 98 S 0.58382553696813 0.61753049624503 0.16575061445319 32.065 > 9 99 S 0.58382553696813 0.11753049624503 0.66575061445319 32.065 > 9 100 S 0.58382553696813 0.61753049624503 0.66575061445319 32.065 > 9 101 S 0.58562271921870 0.00000000000000 0.44880717570697 32.065 > 10 102 S 0.58562271921870 0.50000000000000 0.44880717570697 32.065 > 10 103 S 0.58562271921870 0.00000000000000 0.94880717570697 32.065 > 10 104 S 0.58562271921870 0.50000000000000 0.94880717570697 32.065 > 10 105 S 0.58382553696813 0.38246950375497 0.16575061445319 32.065 > 11 106 S 0.58382553696813 0.88246950375497 0.16575061445319 32.065 > 11 107 S 0.58382553696813 0.38246950375497 0.66575061445319 32.065 > 11 108 S 0.58382553696813 0.88246950375497 0.66575061445319 32.065 > 11 109 S 0.56193174185478 0.25000000000000 0.41273131486846 32.065 > 12 110 S 0.56193174185478 0.75000000000000 0.41273131486846 32.065 > 12 111 S 0.56193174185478 0.25000000000000 0.91273131486846 32.065 > 12 112 S 0.56193174185478 0.75000000000000 0.91273131486846 32.065 > 12 113 S 0.93806825814522 0.00000000000000 0.08726868513154 32.065 > 13 114 S 0.93806825814522 0.50000000000000 0.08726868513154 32.065 > 13 115 S 0.93806825814522 0.00000000000000 0.58726868513154 32.065 > 13 116 S 0.93806825814522 0.50000000000000 0.58726868513154 32.065 > 13 117 S 0.91437728078130 0.25000000000000 0.05119282429303 32.065 > 14 118 S 0.91437728078130 0.75000000000000 0.05119282429303 32.065 > 14 119 S 0.91437728078130 0.25000000000000 0.55119282429303 32.065 > 14 120 S 0.91437728078130 0.75000000000000 0.55119282429303 32.065 > 14 121 S 0.91617446303187 0.36753049624503 0.33424938554681 32.065 > 15 122 S 0.91617446303187 0.86753049624503 0.33424938554681 32.065 > 15 123 S 0.91617446303187 0.36753049624503 0.83424938554681 32.065 > 15 124 S 0.91617446303187 0.86753049624503 0.83424938554681 32.065 > 15 125 S 0.74772727885817 0.00000000000000 0.13081629989172 32.065 > 16 126 S 0.74772727885817 0.50000000000000 0.13081629989172 32.065 > 16 127 S 0.74772727885817 0.00000000000000 0.63081629989172 32.065 > 16 128 S 0.74772727885817 0.50000000000000 0.63081629989172 32.065 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2082723 0.0000000 0.4645300 0.0000000 7.9748678 0.0000000 0.4645318 0.0000000 4.4912384-------------------------- Born effective charges -------------------------- 1 K 1.4991063 0.0000000 0.0207533 0.0000000 1.1814274 0.0000000 0.1187586 0.0000000 1.1156926 2 K 1.4991063 0.0000000 0.0207533 0.0000000 1.1814274 0.0000000 0.1187586 0.0000000 1.1156926 3 Ti 1.8636671 0.0000000 0.5556386 0.0000000 6.7832740 0.0000000 0.4288923 0.0000000 2.3490895 4 Ti 1.8636671 0.0000000 0.5556386 0.0000000 6.7832740 0.0000000 0.4288923 0.0000000 2.3490895 5 P 3.6346140 0.0000000 0.6396103 0.0000000 3.5682129 0.0000000 0.8348699 0.0000000 0.6738532 6 P 3.6346140 0.0000000 0.6396103 0.0000000 3.5682129 0.0000000 0.8348699 0.0000000 0.6738532 7 S -1.1532988 0.2259028 -0.5303025 0.8406283 -1.6667106 0.2454735 -0.5306442 -0.0880437 -0.9116312 8 S -2.5243333 0.0000000 -0.3631224 0.0000000 -1.3049214 0.0000000 -0.6285091 0.0000000 -0.7072364 9 S -1.1532988 0.2259028 -0.5303025 0.8406283 -1.6667106 0.2454735 -0.5306442 -0.0880437 -0.9116312 10 S -1.1855020 0.0000000 -0.1045295 0.0000000 -2.7717542 0.0000000 -0.1535284 0.0000000 -0.8195117 11 S -1.1532988 -0.2259028 -0.5303025 -0.8406283 -1.6667106 -0.2454735 -0.5306442 0.0880437 -0.9116312 12 S -0.9809546 0.0000000 0.3122546 0.0000000 -4.1228175 0.0000000 0.4608051 0.0000000 -0.7886248 13 S -0.9809546 0.0000000 0.3122546 0.0000000 -4.1228175 0.0000000 0.4608051 0.0000000 -0.7886248 14 S -1.1855020 0.0000000 -0.1045295 0.0000000 -2.7717542 0.0000000 -0.1535284 0.0000000 -0.8195117 15 S -1.1532988 -0.2259028 -0.5303025 -0.8406283 -1.6667106 -0.2454735 -0.5306442 0.0880437 -0.9116312 16 S -2.5243333 0.0000000 -0.3631224 0.0000000 -1.3049214 0.0000000 -0.6285091 0.0000000 -0.7072364----------------------------------------------------------------------------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: 384/384Permutation basis: 11424/11424Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2502Number of blocks in projector: 2502Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 620Use submatrix version of eigh solver.(1) Block: 500 / 620 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 620 / 620(1) 113 eigenvectors found.(1) Complementary block size: 20(1) Compute compressed projector.(1) Use standard solver.(1) 7 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 404Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 404Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 358Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 358Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 358Use standard eigh solver.Tree of FC basis block matrices:- (2502, 2464), data: False|-- (358, 351), data: True|-- (358, 351), data: True|-- (358, 351), data: True|-- (404, 402), data: True|-- (404, 402), data: True|-- (620, 607), data: False |-- (620, 7), data: (620, 20) @ (20, 7) |-- (120, 113), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 480 - Time: 0.768Solver_block: 200 / 480 - Time: 0.706Solver_block: 300 / 480 - Time: 0.697Solver_block: 400 / 480 - Time: 0.691Solver_block: 480 / 480 - Time: 0.585Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.541--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384Permutation basis: 11424/11424Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2502Number of blocks in projector: 2502Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 620Use submatrix version of eigh solver.(1) Block: 500 / 620 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 620 / 620(1) 113 eigenvectors found.(1) Complementary block size: 20(1) Compute compressed projector.(1) Use standard solver.(1) 7 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 404Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 404Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 358Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 358Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 358Use standard eigh solver.Tree of FC basis block matrices:- (2502, 2464), data: False|-- (358, 351), data: True|-- (358, 351), data: True|-- (358, 351), data: True|-- (404, 402), data: True|-- (404, 402), data: True|-- (620, 607), data: False |-- (620, 7), data: (620, 20) @ (20, 7) |-- (120, 113), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: TrueMax 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 2026-01-08 16:42:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 16:42:16]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 2]Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 8.754688399586193 -3.515765700000000 0.000000000000000 b 8.754688399586193 3.515765700000000 0.000000000000000 c -0.899336943645806 0.000000000000000 6.340968683393382Atomic positions (fractional): 1 K 0.22893299740238 0.22893299740238 0.22806648891556 39.098 2 K 0.77106700259762 0.77106700259762 0.77193351108444 39.098 3 Ti 0.77696725693865 0.22303274306135 0.00000000000000 47.867 4 Ti 0.22303274306135 0.77696725693865 0.00000000000000 47.867 5 P 0.63280119373107 0.63280119373107 0.21471101000820 30.974 6 P 0.36719880626893 0.36719880626893 0.78528898999180 30.974 7 S 0.65123545552193 0.18111347054181 0.66849877109362 32.065 8 S 0.25227272114183 0.25227272114183 0.73836740021656 32.065 9 S 0.34876454447807 0.81888652945819 0.33150122890638 32.065 10 S 0.58562271921870 0.58562271921870 0.89761435141393 32.065 11 S 0.81888652945819 0.34876454447807 0.33150122890638 32.065 12 S 0.06193174185478 0.06193174185478 0.82546262973693 32.065 13 S 0.93806825814522 0.93806825814522 0.17453737026307 32.065 14 S 0.41437728078130 0.41437728078130 0.10238564858607 32.065 15 S 0.18111347054181 0.65123545552193 0.66849877109362 32.065 16 S 0.74772727885817 0.74772727885817 0.26163259978344 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 17.509376799172387 0.000000000000000 0.000000000000000 b 0.000000000000000 14.063062800000001 0.000000000000000 c -1.798673887291612 0.000000000000000 12.681937366786764Atomic positions (fractional): 1 K 0.22893299740238 0.00000000000000 0.11403324445778 39.098 > 1 2 K 0.22893299740238 0.50000000000000 0.11403324445778 39.098 > 1 3 K 0.22893299740238 0.00000000000000 0.61403324445778 39.098 > 1 4 K 0.22893299740238 0.50000000000000 0.61403324445778 39.098 > 1 5 K 0.27106700259762 0.25000000000000 0.38596675554222 39.098 > 5 6 K 0.27106700259762 0.75000000000000 0.38596675554222 39.098 > 5 7 K 0.27106700259762 0.25000000000000 0.88596675554222 39.098 > 5 8 K 0.27106700259762 0.75000000000000 0.88596675554222 39.098 > 5 9 K 0.72893299740238 0.25000000000000 0.11403324445778 39.098 > 1 10 K 0.72893299740238 0.75000000000000 0.11403324445778 39.098 > 1 11 K 0.72893299740238 0.25000000000000 0.61403324445778 39.098 > 1 12 K 0.72893299740238 0.75000000000000 0.61403324445778 39.098 > 1 13 K 0.77106700259762 0.00000000000000 0.38596675554222 39.098 > 5 14 K 0.77106700259762 0.50000000000000 0.38596675554222 39.098 > 5 15 K 0.77106700259762 0.00000000000000 0.88596675554222 39.098 > 5 16 K 0.77106700259762 0.50000000000000 0.88596675554222 39.098 > 5 17 Ti 0.00000000000000 0.11151637153068 0.00000000000000 47.867 > 17 18 Ti 0.00000000000000 0.61151637153068 0.00000000000000 47.867 > 17 19 Ti 0.00000000000000 0.11151637153068 0.50000000000000 47.867 > 17 20 Ti 0.00000000000000 0.61151637153068 0.50000000000000 47.867 > 17 21 Ti 0.00000000000000 0.38848362846932 0.00000000000000 47.867 > 21 22 Ti 0.00000000000000 0.88848362846932 0.00000000000000 47.867 > 21 23 Ti 0.00000000000000 0.38848362846932 0.50000000000000 47.867 > 21 24 Ti 0.00000000000000 0.88848362846932 0.50000000000000 47.867 > 21 25 Ti 0.50000000000000 0.36151637153068 0.00000000000000 47.867 > 17 26 Ti 0.50000000000000 0.86151637153068 0.00000000000000 47.867 > 17 27 Ti 0.50000000000000 0.36151637153068 0.50000000000000 47.867 > 17 28 Ti 0.50000000000000 0.86151637153068 0.50000000000000 47.867 > 17 29 Ti 0.50000000000000 0.13848362846932 0.00000000000000 47.867 > 21 30 Ti 0.50000000000000 0.63848362846932 0.00000000000000 47.867 > 21 31 Ti 0.50000000000000 0.13848362846932 0.50000000000000 47.867 > 21 32 Ti 0.50000000000000 0.63848362846932 0.50000000000000 47.867 > 21 33 P 0.13280119373107 0.25000000000000 0.10735550500410 30.974 > 33 34 P 0.13280119373107 0.75000000000000 0.10735550500410 30.974 > 33 35 P 0.13280119373107 0.25000000000000 0.60735550500410 30.974 > 33 36 P 0.13280119373107 0.75000000000000 0.60735550500410 30.974 > 33 37 P 0.36719880626893 0.00000000000000 0.39264449499590 30.974 > 37 38 P 0.36719880626893 0.50000000000000 0.39264449499590 30.974 > 37 39 P 0.36719880626893 0.00000000000000 0.89264449499590 30.974 > 37 40 P 0.36719880626893 0.50000000000000 0.89264449499590 30.974 > 37 41 P 0.63280119373107 0.00000000000000 0.10735550500410 30.974 > 33 42 P 0.63280119373107 0.50000000000000 0.10735550500410 30.974 > 33 43 P 0.63280119373107 0.00000000000000 0.60735550500410 30.974 > 33 44 P 0.63280119373107 0.50000000000000 0.60735550500410 30.974 > 33 45 P 0.86719880626893 0.25000000000000 0.39264449499590 30.974 > 37 46 P 0.86719880626893 0.75000000000000 0.39264449499590 30.974 > 37 47 P 0.86719880626893 0.25000000000000 0.89264449499590 30.974 > 37 48 P 0.86719880626893 0.75000000000000 0.89264449499590 30.974 > 37 49 S 0.41617446303187 0.38246950375497 0.33424938554681 32.065 > 49 50 S 0.41617446303187 0.88246950375497 0.33424938554681 32.065 > 49 51 S 0.41617446303187 0.38246950375497 0.83424938554681 32.065 > 49 52 S 0.41617446303187 0.88246950375497 0.83424938554681 32.065 > 49 53 S 0.25227272114183 0.00000000000000 0.36918370010828 32.065 > 53 54 S 0.25227272114183 0.50000000000000 0.36918370010828 32.065 > 53 55 S 0.25227272114183 0.00000000000000 0.86918370010828 32.065 > 53 56 S 0.25227272114183 0.50000000000000 0.86918370010828 32.065 > 53 57 S 0.08382553696813 0.36753049624503 0.16575061445319 32.065 > 57 58 S 0.08382553696813 0.86753049624503 0.16575061445319 32.065 > 57 59 S 0.08382553696813 0.36753049624503 0.66575061445319 32.065 > 57 60 S 0.08382553696813 0.86753049624503 0.66575061445319 32.065 > 57 61 S 0.08562271921870 0.25000000000000 0.44880717570697 32.065 > 61 62 S 0.08562271921870 0.75000000000000 0.44880717570697 32.065 > 61 63 S 0.08562271921870 0.25000000000000 0.94880717570697 32.065 > 61 64 S 0.08562271921870 0.75000000000000 0.94880717570697 32.065 > 61 65 S 0.08382553696813 0.13246950375497 0.16575061445319 32.065 > 65 66 S 0.08382553696813 0.63246950375497 0.16575061445319 32.065 > 65 67 S 0.08382553696813 0.13246950375497 0.66575061445319 32.065 > 65 68 S 0.08382553696813 0.63246950375497 0.66575061445319 32.065 > 65 69 S 0.06193174185478 0.00000000000000 0.41273131486846 32.065 > 69 70 S 0.06193174185478 0.50000000000000 0.41273131486846 32.065 > 69 71 S 0.06193174185478 0.00000000000000 0.91273131486846 32.065 > 69 72 S 0.06193174185478 0.50000000000000 0.91273131486846 32.065 > 69 73 S 0.43806825814522 0.25000000000000 0.08726868513154 32.065 > 73 74 S 0.43806825814522 0.75000000000000 0.08726868513154 32.065 > 73 75 S 0.43806825814522 0.25000000000000 0.58726868513154 32.065 > 73 76 S 0.43806825814522 0.75000000000000 0.58726868513154 32.065 > 73 77 S 0.41437728078130 0.00000000000000 0.05119282429303 32.065 > 77 78 S 0.41437728078130 0.50000000000000 0.05119282429303 32.065 > 77 79 S 0.41437728078130 0.00000000000000 0.55119282429303 32.065 > 77 80 S 0.41437728078130 0.50000000000000 0.55119282429303 32.065 > 77 81 S 0.41617446303187 0.11753049624503 0.33424938554681 32.065 > 81 82 S 0.41617446303187 0.61753049624503 0.33424938554681 32.065 > 81 83 S 0.41617446303187 0.11753049624503 0.83424938554681 32.065 > 81 84 S 0.41617446303187 0.61753049624503 0.83424938554681 32.065 > 81 85 S 0.24772727885817 0.25000000000000 0.13081629989172 32.065 > 85 86 S 0.24772727885817 0.75000000000000 0.13081629989172 32.065 > 85 87 S 0.24772727885817 0.25000000000000 0.63081629989172 32.065 > 85 88 S 0.24772727885817 0.75000000000000 0.63081629989172 32.065 > 85 89 S 0.91617446303187 0.13246950375497 0.33424938554681 32.065 > 49 90 S 0.91617446303187 0.63246950375497 0.33424938554681 32.065 > 49 91 S 0.91617446303187 0.13246950375497 0.83424938554681 32.065 > 49 92 S 0.91617446303187 0.63246950375497 0.83424938554681 32.065 > 49 93 S 0.75227272114183 0.25000000000000 0.36918370010828 32.065 > 53 94 S 0.75227272114183 0.75000000000000 0.36918370010828 32.065 > 53 95 S 0.75227272114183 0.25000000000000 0.86918370010828 32.065 > 53 96 S 0.75227272114183 0.75000000000000 0.86918370010828 32.065 > 53 97 S 0.58382553696813 0.11753049624503 0.16575061445319 32.065 > 57 98 S 0.58382553696813 0.61753049624503 0.16575061445319 32.065 > 57 99 S 0.58382553696813 0.11753049624503 0.66575061445319 32.065 > 57 100 S 0.58382553696813 0.61753049624503 0.66575061445319 32.065 > 57 101 S 0.58562271921870 0.00000000000000 0.44880717570697 32.065 > 61 102 S 0.58562271921870 0.50000000000000 0.44880717570697 32.065 > 61 103 S 0.58562271921870 0.00000000000000 0.94880717570697 32.065 > 61 104 S 0.58562271921870 0.50000000000000 0.94880717570697 32.065 > 61 105 S 0.58382553696813 0.38246950375497 0.16575061445319 32.065 > 65 106 S 0.58382553696813 0.88246950375497 0.16575061445319 32.065 > 65 107 S 0.58382553696813 0.38246950375497 0.66575061445319 32.065 > 65 108 S 0.58382553696813 0.88246950375497 0.66575061445319 32.065 > 65 109 S 0.56193174185478 0.25000000000000 0.41273131486846 32.065 > 69 110 S 0.56193174185478 0.75000000000000 0.41273131486846 32.065 > 69 111 S 0.56193174185478 0.25000000000000 0.91273131486846 32.065 > 69 112 S 0.56193174185478 0.75000000000000 0.91273131486846 32.065 > 69 113 S 0.93806825814522 0.00000000000000 0.08726868513154 32.065 > 73 114 S 0.93806825814522 0.50000000000000 0.08726868513154 32.065 > 73 115 S 0.93806825814522 0.00000000000000 0.58726868513154 32.065 > 73 116 S 0.93806825814522 0.50000000000000 0.58726868513154 32.065 > 73 117 S 0.91437728078130 0.25000000000000 0.05119282429303 32.065 > 77 118 S 0.91437728078130 0.75000000000000 0.05119282429303 32.065 > 77 119 S 0.91437728078130 0.25000000000000 0.55119282429303 32.065 > 77 120 S 0.91437728078130 0.75000000000000 0.55119282429303 32.065 > 77 121 S 0.91617446303187 0.36753049624503 0.33424938554681 32.065 > 81 122 S 0.91617446303187 0.86753049624503 0.33424938554681 32.065 > 81 123 S 0.91617446303187 0.36753049624503 0.83424938554681 32.065 > 81 124 S 0.91617446303187 0.86753049624503 0.83424938554681 32.065 > 81 125 S 0.74772727885817 0.00000000000000 0.13081629989172 32.065 > 85 126 S 0.74772727885817 0.50000000000000 0.13081629989172 32.065 > 85 127 S 0.74772727885817 0.00000000000000 0.63081629989172 32.065 > 85 128 S 0.74772727885817 0.50000000000000 0.63081629989172 32.065 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2082723 0.0000000 0.4645300 0.0000000 7.9748678 0.0000000 0.4645318 0.0000000 4.4912384-------------------------- Born effective charges -------------------------- 1 K 1.4991063 0.0000000 0.0207533 0.0000000 1.1814274 0.0000000 0.1187586 0.0000000 1.1156926 2 K 1.4991063 0.0000000 0.0207533 0.0000000 1.1814274 0.0000000 0.1187586 0.0000000 1.1156926 3 Ti 1.8636671 0.0000000 0.5556386 0.0000000 6.7832740 0.0000000 0.4288923 0.0000000 2.3490895 4 Ti 1.8636671 0.0000000 0.5556386 0.0000000 6.7832740 0.0000000 0.4288923 0.0000000 2.3490895 5 P 3.6346140 0.0000000 0.6396103 0.0000000 3.5682129 0.0000000 0.8348699 0.0000000 0.6738532 6 P 3.6346140 0.0000000 0.6396103 0.0000000 3.5682129 0.0000000 0.8348699 0.0000000 0.6738532 7 S -1.1532988 0.2259028 -0.5303025 0.8406283 -1.6667106 0.2454735 -0.5306442 -0.0880437 -0.9116312 8 S -2.5243333 0.0000000 -0.3631224 0.0000000 -1.3049214 0.0000000 -0.6285091 0.0000000 -0.7072364 9 S -1.1532988 0.2259028 -0.5303025 0.8406283 -1.6667106 0.2454735 -0.5306442 -0.0880437 -0.9116312 10 S -1.1855020 0.0000000 -0.1045295 0.0000000 -2.7717542 0.0000000 -0.1535284 0.0000000 -0.8195117 11 S -1.1532988 -0.2259028 -0.5303025 -0.8406283 -1.6667106 -0.2454735 -0.5306442 0.0880437 -0.9116312 12 S -0.9809546 0.0000000 0.3122546 0.0000000 -4.1228175 0.0000000 0.4608051 0.0000000 -0.7886248 13 S -0.9809546 0.0000000 0.3122546 0.0000000 -4.1228175 0.0000000 0.4608051 0.0000000 -0.7886248 14 S -1.1855020 0.0000000 -0.1045295 0.0000000 -2.7717542 0.0000000 -0.1535284 0.0000000 -0.8195117 15 S -1.1532988 -0.2259028 -0.5303025 -0.8406283 -1.6667106 -0.2454735 -0.5306442 0.0880437 -0.9116312 16 S -2.5243333 0.0000000 -0.3631224 0.0000000 -1.3049214 0.0000000 -0.6285091 0.0000000 -0.7072364----------------------------------------------------------------------------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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 53, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Computing fc3[ 69, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 16:42:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 16:42:47]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 2]Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 8.754688399586193 -3.515765700000000 0.000000000000000 b 8.754688399586193 3.515765700000000 0.000000000000000 c -0.899336943645806 0.000000000000000 6.340968683393382Atomic positions (fractional): 1 K 0.22893299740238 0.22893299740238 0.22806648891556 39.098 2 K 0.77106700259762 0.77106700259762 0.77193351108444 39.098 3 Ti 0.77696725693865 0.22303274306135 0.00000000000000 47.867 4 Ti 0.22303274306135 0.77696725693865 0.00000000000000 47.867 5 P 0.63280119373107 0.63280119373107 0.21471101000820 30.974 6 P 0.36719880626893 0.36719880626893 0.78528898999180 30.974 7 S 0.65123545552193 0.18111347054181 0.66849877109362 32.065 8 S 0.25227272114183 0.25227272114183 0.73836740021656 32.065 9 S 0.34876454447807 0.81888652945819 0.33150122890638 32.065 10 S 0.58562271921870 0.58562271921870 0.89761435141393 32.065 11 S 0.81888652945819 0.34876454447807 0.33150122890638 32.065 12 S 0.06193174185478 0.06193174185478 0.82546262973693 32.065 13 S 0.93806825814522 0.93806825814522 0.17453737026307 32.065 14 S 0.41437728078130 0.41437728078130 0.10238564858607 32.065 15 S 0.18111347054181 0.65123545552193 0.66849877109362 32.065 16 S 0.74772727885817 0.74772727885817 0.26163259978344 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 17.509376799172387 0.000000000000000 0.000000000000000 b 0.000000000000000 14.063062800000001 0.000000000000000 c -1.798673887291612 0.000000000000000 12.681937366786764Atomic positions (fractional): 1 K 0.22893299740238 0.00000000000000 0.11403324445778 39.098 > 1 2 K 0.22893299740238 0.50000000000000 0.11403324445778 39.098 > 1 3 K 0.22893299740238 0.00000000000000 0.61403324445778 39.098 > 1 4 K 0.22893299740238 0.50000000000000 0.61403324445778 39.098 > 1 5 K 0.27106700259762 0.25000000000000 0.38596675554222 39.098 > 5 6 K 0.27106700259762 0.75000000000000 0.38596675554222 39.098 > 5 7 K 0.27106700259762 0.25000000000000 0.88596675554222 39.098 > 5 8 K 0.27106700259762 0.75000000000000 0.88596675554222 39.098 > 5 9 K 0.72893299740238 0.25000000000000 0.11403324445778 39.098 > 1 10 K 0.72893299740238 0.75000000000000 0.11403324445778 39.098 > 1 11 K 0.72893299740238 0.25000000000000 0.61403324445778 39.098 > 1 12 K 0.72893299740238 0.75000000000000 0.61403324445778 39.098 > 1 13 K 0.77106700259762 0.00000000000000 0.38596675554222 39.098 > 5 14 K 0.77106700259762 0.50000000000000 0.38596675554222 39.098 > 5 15 K 0.77106700259762 0.00000000000000 0.88596675554222 39.098 > 5 16 K 0.77106700259762 0.50000000000000 0.88596675554222 39.098 > 5 17 Ti 0.00000000000000 0.11151637153068 0.00000000000000 47.867 > 17 18 Ti 0.00000000000000 0.61151637153068 0.00000000000000 47.867 > 17 19 Ti 0.00000000000000 0.11151637153068 0.50000000000000 47.867 > 17 20 Ti 0.00000000000000 0.61151637153068 0.50000000000000 47.867 > 17 21 Ti 0.00000000000000 0.38848362846932 0.00000000000000 47.867 > 21 22 Ti 0.00000000000000 0.88848362846932 0.00000000000000 47.867 > 21 23 Ti 0.00000000000000 0.38848362846932 0.50000000000000 47.867 > 21 24 Ti 0.00000000000000 0.88848362846932 0.50000000000000 47.867 > 21 25 Ti 0.50000000000000 0.36151637153068 0.00000000000000 47.867 > 17 26 Ti 0.50000000000000 0.86151637153068 0.00000000000000 47.867 > 17 27 Ti 0.50000000000000 0.36151637153068 0.50000000000000 47.867 > 17 28 Ti 0.50000000000000 0.86151637153068 0.50000000000000 47.867 > 17 29 Ti 0.50000000000000 0.13848362846932 0.00000000000000 47.867 > 21 30 Ti 0.50000000000000 0.63848362846932 0.00000000000000 47.867 > 21 31 Ti 0.50000000000000 0.13848362846932 0.50000000000000 47.867 > 21 32 Ti 0.50000000000000 0.63848362846932 0.50000000000000 47.867 > 21 33 P 0.13280119373107 0.25000000000000 0.10735550500410 30.974 > 33 34 P 0.13280119373107 0.75000000000000 0.10735550500410 30.974 > 33 35 P 0.13280119373107 0.25000000000000 0.60735550500410 30.974 > 33 36 P 0.13280119373107 0.75000000000000 0.60735550500410 30.974 > 33 37 P 0.36719880626893 0.00000000000000 0.39264449499590 30.974 > 37 38 P 0.36719880626893 0.50000000000000 0.39264449499590 30.974 > 37 39 P 0.36719880626893 0.00000000000000 0.89264449499590 30.974 > 37 40 P 0.36719880626893 0.50000000000000 0.89264449499590 30.974 > 37 41 P 0.63280119373107 0.00000000000000 0.10735550500410 30.974 > 33 42 P 0.63280119373107 0.50000000000000 0.10735550500410 30.974 > 33 43 P 0.63280119373107 0.00000000000000 0.60735550500410 30.974 > 33 44 P 0.63280119373107 0.50000000000000 0.60735550500410 30.974 > 33 45 P 0.86719880626893 0.25000000000000 0.39264449499590 30.974 > 37 46 P 0.86719880626893 0.75000000000000 0.39264449499590 30.974 > 37 47 P 0.86719880626893 0.25000000000000 0.89264449499590 30.974 > 37 48 P 0.86719880626893 0.75000000000000 0.89264449499590 30.974 > 37 49 S 0.41617446303187 0.38246950375497 0.33424938554681 32.065 > 49 50 S 0.41617446303187 0.88246950375497 0.33424938554681 32.065 > 49 51 S 0.41617446303187 0.38246950375497 0.83424938554681 32.065 > 49 52 S 0.41617446303187 0.88246950375497 0.83424938554681 32.065 > 49 53 S 0.25227272114183 0.00000000000000 0.36918370010828 32.065 > 53 54 S 0.25227272114183 0.50000000000000 0.36918370010828 32.065 > 53 55 S 0.25227272114183 0.00000000000000 0.86918370010828 32.065 > 53 56 S 0.25227272114183 0.50000000000000 0.86918370010828 32.065 > 53 57 S 0.08382553696813 0.36753049624503 0.16575061445319 32.065 > 57 58 S 0.08382553696813 0.86753049624503 0.16575061445319 32.065 > 57 59 S 0.08382553696813 0.36753049624503 0.66575061445319 32.065 > 57 60 S 0.08382553696813 0.86753049624503 0.66575061445319 32.065 > 57 61 S 0.08562271921870 0.25000000000000 0.44880717570697 32.065 > 61 62 S 0.08562271921870 0.75000000000000 0.44880717570697 32.065 > 61 63 S 0.08562271921870 0.25000000000000 0.94880717570697 32.065 > 61 64 S 0.08562271921870 0.75000000000000 0.94880717570697 32.065 > 61 65 S 0.08382553696813 0.13246950375497 0.16575061445319 32.065 > 65 66 S 0.08382553696813 0.63246950375497 0.16575061445319 32.065 > 65 67 S 0.08382553696813 0.13246950375497 0.66575061445319 32.065 > 65 68 S 0.08382553696813 0.63246950375497 0.66575061445319 32.065 > 65 69 S 0.06193174185478 0.00000000000000 0.41273131486846 32.065 > 69 70 S 0.06193174185478 0.50000000000000 0.41273131486846 32.065 > 69 71 S 0.06193174185478 0.00000000000000 0.91273131486846 32.065 > 69 72 S 0.06193174185478 0.50000000000000 0.91273131486846 32.065 > 69 73 S 0.43806825814522 0.25000000000000 0.08726868513154 32.065 > 73 74 S 0.43806825814522 0.75000000000000 0.08726868513154 32.065 > 73 75 S 0.43806825814522 0.25000000000000 0.58726868513154 32.065 > 73 76 S 0.43806825814522 0.75000000000000 0.58726868513154 32.065 > 73 77 S 0.41437728078130 0.00000000000000 0.05119282429303 32.065 > 77 78 S 0.41437728078130 0.50000000000000 0.05119282429303 32.065 > 77 79 S 0.41437728078130 0.00000000000000 0.55119282429303 32.065 > 77 80 S 0.41437728078130 0.50000000000000 0.55119282429303 32.065 > 77 81 S 0.41617446303187 0.11753049624503 0.33424938554681 32.065 > 81 82 S 0.41617446303187 0.61753049624503 0.33424938554681 32.065 > 81 83 S 0.41617446303187 0.11753049624503 0.83424938554681 32.065 > 81 84 S 0.41617446303187 0.61753049624503 0.83424938554681 32.065 > 81 85 S 0.24772727885817 0.25000000000000 0.13081629989172 32.065 > 85 86 S 0.24772727885817 0.75000000000000 0.13081629989172 32.065 > 85 87 S 0.24772727885817 0.25000000000000 0.63081629989172 32.065 > 85 88 S 0.24772727885817 0.75000000000000 0.63081629989172 32.065 > 85 89 S 0.91617446303187 0.13246950375497 0.33424938554681 32.065 > 49 90 S 0.91617446303187 0.63246950375497 0.33424938554681 32.065 > 49 91 S 0.91617446303187 0.13246950375497 0.83424938554681 32.065 > 49 92 S 0.91617446303187 0.63246950375497 0.83424938554681 32.065 > 49 93 S 0.75227272114183 0.25000000000000 0.36918370010828 32.065 > 53 94 S 0.75227272114183 0.75000000000000 0.36918370010828 32.065 > 53 95 S 0.75227272114183 0.25000000000000 0.86918370010828 32.065 > 53 96 S 0.75227272114183 0.75000000000000 0.86918370010828 32.065 > 53 97 S 0.58382553696813 0.11753049624503 0.16575061445319 32.065 > 57 98 S 0.58382553696813 0.61753049624503 0.16575061445319 32.065 > 57 99 S 0.58382553696813 0.11753049624503 0.66575061445319 32.065 > 57 100 S 0.58382553696813 0.61753049624503 0.66575061445319 32.065 > 57 101 S 0.58562271921870 0.00000000000000 0.44880717570697 32.065 > 61 102 S 0.58562271921870 0.50000000000000 0.44880717570697 32.065 > 61 103 S 0.58562271921870 0.00000000000000 0.94880717570697 32.065 > 61 104 S 0.58562271921870 0.50000000000000 0.94880717570697 32.065 > 61 105 S 0.58382553696813 0.38246950375497 0.16575061445319 32.065 > 65 106 S 0.58382553696813 0.88246950375497 0.16575061445319 32.065 > 65 107 S 0.58382553696813 0.38246950375497 0.66575061445319 32.065 > 65 108 S 0.58382553696813 0.88246950375497 0.66575061445319 32.065 > 65 109 S 0.56193174185478 0.25000000000000 0.41273131486846 32.065 > 69 110 S 0.56193174185478 0.75000000000000 0.41273131486846 32.065 > 69 111 S 0.56193174185478 0.25000000000000 0.91273131486846 32.065 > 69 112 S 0.56193174185478 0.75000000000000 0.91273131486846 32.065 > 69 113 S 0.93806825814522 0.00000000000000 0.08726868513154 32.065 > 73 114 S 0.93806825814522 0.50000000000000 0.08726868513154 32.065 > 73 115 S 0.93806825814522 0.00000000000000 0.58726868513154 32.065 > 73 116 S 0.93806825814522 0.50000000000000 0.58726868513154 32.065 > 73 117 S 0.91437728078130 0.25000000000000 0.05119282429303 32.065 > 77 118 S 0.91437728078130 0.75000000000000 0.05119282429303 32.065 > 77 119 S 0.91437728078130 0.25000000000000 0.55119282429303 32.065 > 77 120 S 0.91437728078130 0.75000000000000 0.55119282429303 32.065 > 77 121 S 0.91617446303187 0.36753049624503 0.33424938554681 32.065 > 81 122 S 0.91617446303187 0.86753049624503 0.33424938554681 32.065 > 81 123 S 0.91617446303187 0.36753049624503 0.83424938554681 32.065 > 81 124 S 0.91617446303187 0.86753049624503 0.83424938554681 32.065 > 81 125 S 0.74772727885817 0.00000000000000 0.13081629989172 32.065 > 85 126 S 0.74772727885817 0.50000000000000 0.13081629989172 32.065 > 85 127 S 0.74772727885817 0.00000000000000 0.63081629989172 32.065 > 85 128 S 0.74772727885817 0.50000000000000 0.63081629989172 32.065 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2082723 0.0000000 0.4645300 0.0000000 7.9748678 0.0000000 0.4645318 0.0000000 4.4912384-------------------------- Born effective charges -------------------------- 1 K 1.4991063 0.0000000 0.0207533 0.0000000 1.1814274 0.0000000 0.1187586 0.0000000 1.1156926 2 K 1.4991063 0.0000000 0.0207533 0.0000000 1.1814274 0.0000000 0.1187586 0.0000000 1.1156926 3 Ti 1.8636671 0.0000000 0.5556386 0.0000000 6.7832740 0.0000000 0.4288923 0.0000000 2.3490895 4 Ti 1.8636671 0.0000000 0.5556386 0.0000000 6.7832740 0.0000000 0.4288923 0.0000000 2.3490895 5 P 3.6346140 0.0000000 0.6396103 0.0000000 3.5682129 0.0000000 0.8348699 0.0000000 0.6738532 6 P 3.6346140 0.0000000 0.6396103 0.0000000 3.5682129 0.0000000 0.8348699 0.0000000 0.6738532 7 S -1.1532988 0.2259028 -0.5303025 0.8406283 -1.6667106 0.2454735 -0.5306442 -0.0880437 -0.9116312 8 S -2.5243333 0.0000000 -0.3631224 0.0000000 -1.3049214 0.0000000 -0.6285091 0.0000000 -0.7072364 9 S -1.1532988 0.2259028 -0.5303025 0.8406283 -1.6667106 0.2454735 -0.5306442 -0.0880437 -0.9116312 10 S -1.1855020 0.0000000 -0.1045295 0.0000000 -2.7717542 0.0000000 -0.1535284 0.0000000 -0.8195117 11 S -1.1532988 -0.2259028 -0.5303025 -0.8406283 -1.6667106 -0.2454735 -0.5306442 0.0880437 -0.9116312 12 S -0.9809546 0.0000000 0.3122546 0.0000000 -4.1228175 0.0000000 0.4608051 0.0000000 -0.7886248 13 S -0.9809546 0.0000000 0.3122546 0.0000000 -4.1228175 0.0000000 0.4608051 0.0000000 -0.7886248 14 S -1.1855020 0.0000000 -0.1045295 0.0000000 -2.7717542 0.0000000 -0.1535284 0.0000000 -0.8195117 15 S -1.1532988 -0.2259028 -0.5303025 -0.8406283 -1.6667106 -0.2454735 -0.5306442 0.0880437 -0.9116312 16 S -2.5243333 0.0000000 -0.3631224 0.0000000 -1.3049214 0.0000000 -0.6285091 0.0000000 -0.7072364----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 8 8 ]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: 0.57, Number of G-points: 293, Lambda: 0.14Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/150) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.504 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.622 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 9.160 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 0.000 0.000) 0.000 10.037 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.325 ( 0.000 0.000 0.000) 0.000 12.343 ( 0.000 0.000 0.000) 0.000 15.919 ( 0.000 0.000 0.000) 0.000 16.044 ( 0.000 0.000 0.000) 0.000 16.215 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 18.211 ( 0.000 0.000 0.000) 0.000 18.526 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/150) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.269 ( 7.776 -12.296 1.185) 14.597 0.344 ( 12.924 -14.204 0.700) 19.217 0.851 ( 4.074 -43.678 0.575) 43.871 1.286 ( -6.217 -3.124 -0.101) 6.959 1.505 ( 5.271 2.845 0.743) 6.036 1.862 ( -1.030 1.092 -0.130) 1.507 2.155 ( -5.509 -2.710 -2.283) 6.551 2.215 ( -0.230 -2.820 1.328) 3.126 2.483 ( -3.395 10.062 -1.659) 10.749 2.632 ( -3.948 2.831 0.998) 4.960 2.702 ( 2.898 4.253 0.192) 5.150 2.767 ( 10.352 2.331 1.571) 10.727 2.976 ( -0.378 -13.449 -0.241) 13.456 3.506 ( 0.203 6.409 0.592) 6.440 3.851 ( -0.528 4.853 -0.136) 4.884 3.961 ( -0.065 0.627 -0.485) 0.795 4.211 ( -0.692 -3.010 -0.090) 3.090 4.257 ( 0.482 2.686 0.380) 2.756 4.555 ( -0.429 -2.342 0.117) 2.384 4.636 ( 0.225 -6.647 -0.050) 6.651 5.062 ( -0.186 -1.508 -0.321) 1.553 5.342 ( -0.039 -1.266 -0.038) 1.267 5.455 ( 0.100 0.800 -0.171) 0.824 5.640 ( -1.176 9.353 -0.123) 9.427 5.759 ( -1.063 1.553 -0.272) 1.901 6.231 ( -1.025 -9.615 -0.044) 9.669 7.043 ( 0.196 -0.323 0.107) 0.393 7.485 ( -1.112 0.033 -0.303) 1.153 7.544 ( -1.534 4.203 -0.264) 4.482 7.654 ( 0.138 1.851 -0.468) 1.914 7.683 ( 0.015 -0.497 -0.140) 0.517 8.259 ( -0.196 7.999 0.221) 8.004 8.460 ( -0.021 -3.031 0.039) 3.032 8.789 ( -19.154 -13.461 -7.320) 24.528 9.187 ( 0.201 -2.631 -0.057) 2.639 9.330 ( 0.400 0.400 -0.110) 0.576 10.460 ( -6.203 -3.394 -4.601) 8.436 11.186 ( -23.955 -9.618 6.366) 26.587 12.103 ( -0.018 0.198 0.177) 0.266 12.238 ( 0.280 2.084 -1.330) 2.488 12.321 ( -0.020 0.457 -0.178) 0.491 12.335 ( 1.884 2.359 -1.557) 3.397 15.917 ( -0.035 0.142 -0.025) 0.149 16.035 ( -0.241 0.992 0.631) 1.200 16.222 ( 0.414 -0.664 -0.238) 0.818 16.707 ( -18.259 -7.540 -2.501) 19.912 18.317 ( 23.107 10.126 5.237) 25.766 18.503 ( 2.199 3.387 0.773) 4.112======================= Grid point 2 (3/150) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.553 ( 7.671 -13.350 -0.473) 15.404 0.690 ( 9.258 -15.620 0.290) 18.160 1.244 ( -5.016 -3.529 -0.763) 6.180 1.465 ( 5.887 5.192 1.141) 7.932 1.661 ( 1.576 -35.976 0.736) 36.018 1.813 ( -2.871 3.120 -0.028) 4.240 2.159 ( -6.086 -0.672 -1.822) 6.389 2.227 ( -2.890 4.433 -0.389) 5.306 2.326 ( 0.742 1.200 1.296) 1.916 2.560 ( -4.953 1.249 -1.153) 5.237 2.625 ( 4.263 6.503 1.216) 7.870 2.804 ( 10.717 1.417 1.368) 10.897 3.195 ( -3.744 -10.828 -1.437) 11.547 3.391 ( 0.689 4.978 0.824) 5.093 3.758 ( 2.426 5.758 0.908) 6.314 3.950 ( -1.744 -0.095 -1.264) 2.156 4.117 ( -0.889 11.204 1.290) 11.313 4.274 ( -0.580 -3.370 -0.433) 3.447 4.647 ( -1.323 -8.160 -0.379) 8.275 4.792 ( 0.590 -9.167 0.169) 9.187 5.093 ( -1.100 -2.731 -1.109) 3.146 5.362 ( -0.047 0.165 -0.257) 0.309 5.412 ( -0.982 7.545 -0.821) 7.653 5.457 ( 1.470 5.416 1.673) 5.856 5.727 ( -0.386 1.503 -0.050) 1.553 6.408 ( -0.496 -10.304 -0.102) 10.317 7.054 ( 0.191 -0.737 0.071) 0.765 7.430 ( -1.161 5.128 0.137) 5.259 7.495 ( 1.286 1.769 -0.935) 2.379 7.602 ( -0.662 2.797 -0.494) 2.916 7.670 ( -0.515 1.748 -0.062) 1.823 8.105 ( 0.279 8.343 0.123) 8.349 8.540 ( 0.025 -5.680 -0.047) 5.680 8.893 ( -8.261 -9.487 -3.522) 13.063 9.240 ( -0.196 -2.823 0.011) 2.830 9.320 ( 0.609 1.119 -0.544) 1.385 10.467 ( 1.038 0.327 0.288) 1.126 11.204 ( -14.817 -7.603 0.311) 16.657 12.100 ( -0.106 0.062 0.175) 0.213 12.176 ( -0.074 4.626 -0.871) 4.708 12.306 ( 0.124 1.044 -0.567) 1.194 12.313 ( -0.027 0.812 0.388) 0.901 15.914 ( -0.017 0.120 -0.004) 0.121 16.011 ( -0.503 1.276 0.220) 1.389 16.243 ( 1.128 -1.011 -0.045) 1.515 16.704 ( -8.890 -3.215 -1.132) 9.521 18.307 ( 8.720 4.160 2.028) 9.872 18.444 ( 2.597 4.995 0.938) 5.707======================= Grid point 3 (4/150) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( 6.265 -12.995 -2.053) 14.572 1.021 ( 5.140 -15.070 0.675) 15.937 1.254 ( -2.269 -0.796 -0.128) 2.408 1.409 ( 3.299 4.021 0.298) 5.210 1.691 ( -3.486 7.975 0.500) 8.718 1.984 ( -4.959 10.775 0.265) 11.865 2.168 ( 4.261 -15.292 1.204) 15.920 2.180 ( -4.860 -2.422 -1.056) 5.532 2.371 ( -3.026 -0.910 -0.137) 3.163 2.517 ( 3.698 0.959 0.035) 3.821 2.592 ( -0.915 -1.302 0.030) 1.592 2.924 ( 10.053 -7.632 1.556) 12.717 3.192 ( -4.902 1.685 -1.550) 5.410 3.465 ( -0.943 -8.845 -0.418) 8.905 3.684 ( 5.139 6.239 2.001) 8.327 3.799 ( -4.062 15.639 -1.997) 16.280 4.001 ( 0.377 -0.051 1.793) 1.833 4.325 ( -0.870 -2.680 -0.607) 2.882 4.801 ( -2.269 -10.215 -0.993) 10.511 4.921 ( 0.424 -4.187 0.164) 4.212 5.142 ( -1.457 -1.128 -1.946) 2.680 5.192 ( 0.139 8.834 0.796) 8.870 5.373 ( 0.710 1.454 0.774) 1.793 5.436 ( 1.253 0.608 0.644) 1.534 5.703 ( -0.185 0.923 0.031) 0.942 6.572 ( 0.111 -7.742 -0.082) 7.743 7.068 ( 0.007 -0.630 -0.030) 0.630 7.315 ( -0.182 6.529 0.222) 6.535 7.463 ( 0.291 1.969 -1.039) 2.246 7.572 ( 0.265 0.334 -0.428) 0.604 7.630 ( -0.438 1.924 0.304) 1.996 7.987 ( 0.215 4.826 0.037) 4.831 8.641 ( 0.088 -4.891 -0.121) 4.893 8.992 ( -3.641 -6.374 -1.333) 7.461 9.272 ( -0.381 -0.868 0.947) 1.340 9.297 ( 0.359 1.565 -1.565) 2.242 10.467 ( 1.520 0.711 0.846) 1.880 11.237 ( -7.435 -4.691 -0.467) 8.803 12.092 ( -0.288 3.955 -0.391) 3.985 12.101 ( -0.137 -0.150 0.144) 0.249 12.294 ( 0.019 0.389 -0.256) 0.467 12.300 ( -0.142 0.580 0.235) 0.642 15.913 ( 0.039 -0.007 0.050) 0.064 15.988 ( -0.406 0.897 0.012) 0.985 16.269 ( 1.237 -0.746 0.172) 1.454 16.693 ( -4.610 -1.230 -0.688) 4.821 18.300 ( 3.446 1.660 0.852) 3.919 18.378 ( 1.481 3.668 0.555) 3.994======================= Grid point 4 (5/150) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( 0.000 -0.000 -0.000) 0.000 1.188 ( 0.000 -0.000 0.000) 0.000 1.272 ( 0.000 -0.000 -0.000) 0.000 1.387 ( 0.000 0.000 -0.000) 0.000 1.550 ( 0.000 -0.000 -0.000) 0.000 1.847 ( 0.000 -0.000 -0.000) 0.000 2.192 ( 0.000 -0.000 -0.000) 0.000 2.317 ( 0.000 -0.000 -0.000) 0.000 2.326 ( -0.000 0.000 0.000) 0.000 2.537 ( 0.000 -0.000 -0.000) 0.000 2.608 ( 0.000 -0.000 -0.000) 0.000 3.044 ( 0.000 -0.000 -0.000) 0.000 3.281 ( 0.000 0.000 -0.000) 0.000 3.471 ( 0.000 -0.000 -0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.630 ( -0.000 -0.000 -0.000) 0.000 4.011 ( 0.000 -0.000 -0.000) 0.000 4.346 ( 0.000 -0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 4.961 ( -0.000 -0.000 -0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 -0.000 -0.000) 0.000 5.354 ( 0.000 -0.000 0.000) 0.000 5.437 ( 0.000 -0.000 -0.000) 0.000 5.694 ( 0.000 -0.000 0.000) 0.000 6.651 ( 0.000 -0.000 -0.000) 0.000 7.073 ( 0.000 -0.000 -0.000) 0.000 7.245 ( 0.000 -0.000 0.000) 0.000 7.444 ( 0.000 -0.000 0.000) 0.000 7.575 ( 0.000 -0.000 -0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 -0.000 -0.000) 0.000 8.689 ( 0.000 -0.000 -0.000) 0.000 9.042 ( 0.000 -0.000 0.000) 0.000 9.268 ( 0.000 -0.000 0.000) 0.000 9.287 ( 0.000 -0.000 -0.000) 0.000 10.466 ( 0.000 -0.000 0.000) 0.000 11.254 ( 0.000 -0.000 -0.000) 0.000 12.052 ( 0.000 -0.000 -0.000) 0.000 12.102 ( 0.000 -0.000 -0.000) 0.000 12.291 ( 0.000 -0.000 0.000) 0.000 12.293 ( 0.000 -0.000 -0.000) 0.000 15.914 ( 0.000 -0.000 -0.000) 0.000 15.978 ( 0.000 -0.000 -0.000) 0.000 16.281 ( 0.000 -0.000 -0.000) 0.000 16.686 ( 0.000 -0.000 0.000) 0.000 18.298 ( 0.000 -0.000 0.000) 0.000 18.349 ( 0.000 -0.000 -0.000) 0.000======================= Grid point 10 (6/150) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.203 ( 13.832 -0.000 1.625) 13.927 0.218 ( 13.811 -0.000 8.668) 16.306 0.460 ( 31.237 -0.000 0.973) 31.252 1.219 ( -8.664 0.000 3.125) 9.210 1.586 ( 4.666 -0.000 2.183) 5.151 1.835 ( -4.310 0.000 -1.076) 4.443 1.997 ( -1.786 0.000 0.076) 1.787 2.171 ( 1.716 -0.000 0.263) 1.736 2.641 ( 3.354 -0.000 0.883) 3.468 2.685 ( -1.654 0.000 0.166) 1.662 2.726 ( -0.479 0.000 -0.238) 0.535 2.726 ( -5.372 0.000 -2.669) 5.998 3.075 ( 6.943 -0.000 3.855) 7.942 3.568 ( -0.589 0.000 -0.211) 0.626 3.881 ( -3.202 0.000 -0.799) 3.300 3.989 ( 0.349 -0.000 -6.918) 6.927 4.200 ( 0.404 -0.000 0.991) 1.070 4.270 ( 0.555 -0.000 0.282) 0.622 4.550 ( 0.001 -0.000 1.156) 1.156 4.574 ( -0.276 0.000 -0.189) 0.334 5.047 ( -0.043 0.000 -0.369) 0.372 5.330 ( -0.905 0.000 0.798) 1.207 5.467 ( 0.270 -0.000 1.820) 1.840 5.531 ( 0.047 -0.000 0.036) 0.059 5.725 ( -0.440 0.000 -0.092) 0.450 6.120 ( -1.068 0.000 -0.489) 1.175 7.043 ( 0.580 -0.000 0.170) 0.604 7.220 ( 0.189 -0.000 -0.005) 0.189 7.487 ( 0.062 -0.000 0.014) 0.064 7.625 ( 0.172 -0.000 0.510) 0.538 7.749 ( -0.891 0.000 -2.673) 2.818 7.813 ( -0.243 0.000 -0.135) 0.278 8.344 ( 0.220 -0.000 -0.311) 0.381 8.433 ( -0.060 0.000 0.056) 0.082 9.162 ( 0.191 -0.000 0.094) 0.213 9.340 ( 1.149 -0.000 -0.413) 1.221 10.038 ( 0.101 -0.000 0.064) 0.120 10.904 ( -4.890 0.000 26.034) 26.490 12.109 ( 0.440 -0.000 0.096) 0.450 12.254 ( -0.030 0.000 -1.583) 1.584 12.326 ( -0.038 0.000 0.218) 0.221 12.392 ( -0.048 0.000 -7.869) 7.869 15.920 ( 0.163 -0.000 0.032) 0.166 16.051 ( -1.634 0.000 4.282) 4.584 16.218 ( 0.505 -0.000 -0.535) 0.736 16.294 ( -0.508 0.000 0.551) 0.749 18.523 ( -0.348 0.000 -0.090) 0.360 18.987 ( -0.337 0.000 4.009) 4.023======================= Grid point 11 (7/150) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.407 ( 10.419 -9.049 3.883) 14.336 0.601 ( 18.559 -9.240 -0.341) 20.735 0.962 ( 10.304 -34.972 0.950) 36.471 1.174 ( -8.315 -4.123 2.069) 9.509 1.592 ( 6.015 3.328 0.113) 6.875 1.823 ( -4.351 0.618 -0.920) 4.490 2.062 ( -6.014 -5.765 -1.847) 8.533 2.196 ( -1.248 -1.093 0.671) 1.789 2.452 ( -1.093 8.088 -0.934) 8.214 2.582 ( -3.124 6.471 0.604) 7.211 2.749 ( 3.001 1.819 0.367) 3.529 2.889 ( 2.905 -4.373 -0.057) 5.250 3.012 ( 7.748 -1.974 1.336) 8.106 3.508 ( -0.376 6.355 0.890) 6.428 3.831 ( -2.209 1.883 -0.384) 2.928 3.957 ( -0.158 1.909 -0.669) 2.029 4.201 ( -0.498 -0.878 0.020) 1.010 4.264 ( 0.146 2.683 0.673) 2.770 4.545 ( -1.156 -1.878 0.470) 2.255 4.640 ( 0.354 -7.178 -0.134) 7.188 5.055 ( -0.623 -0.941 -0.848) 1.412 5.339 ( -0.285 -1.721 -0.213) 1.757 5.459 ( 0.742 1.089 -0.357) 1.365 5.609 ( -2.900 6.354 -0.262) 6.990 5.738 ( -1.394 -0.608 -0.367) 1.565 6.209 ( -1.664 -10.387 -0.097) 10.520 7.049 ( 0.631 -0.155 0.350) 0.738 7.450 ( -3.077 -1.834 -0.973) 3.712 7.525 ( -0.630 -0.283 -0.174) 0.712 7.648 ( -0.964 0.730 -0.899) 1.507 7.682 ( -0.189 1.698 -0.640) 1.825 8.245 ( -3.204 2.524 0.833) 4.163 8.416 ( -20.476 -32.238 -8.815) 39.195 8.461 ( -0.525 -4.065 -0.660) 4.151 9.188 ( 0.007 -2.484 -0.148) 2.489 9.342 ( 1.330 0.669 -0.398) 1.541 10.328 ( -7.854 -19.385 -4.113) 21.317 10.914 ( -12.785 -4.917 10.360) 17.174 12.107 ( 0.514 0.457 0.181) 0.711 12.236 ( -0.094 2.040 -1.335) 2.440 12.320 ( -0.208 0.539 -0.076) 0.582 12.346 ( 0.067 2.802 -1.841) 3.353 15.918 ( 0.176 0.243 0.025) 0.301 16.028 ( -1.012 1.088 0.916) 1.745 16.233 ( 1.104 -1.043 -0.609) 1.636 16.477 ( -10.780 -12.877 -0.636) 16.806 18.470 ( 0.827 5.485 0.108) 5.548 18.690 ( 14.927 18.568 4.748) 24.292======================= Grid point 12 (8/150) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( 7.791 -11.893 -0.376) 14.223 0.865 ( 13.490 -8.735 -0.350) 16.074 1.165 ( -5.909 -4.788 0.987) 7.670 1.538 ( 3.119 4.151 -0.287) 5.201 1.706 ( 4.463 -32.451 1.193) 32.778 1.757 ( -4.420 2.788 -0.304) 5.234 2.069 ( -5.003 0.585 -0.603) 5.073 2.198 ( -1.065 2.763 0.313) 2.978 2.323 ( -0.960 3.138 0.545) 3.327 2.501 ( -3.567 -1.138 -1.070) 3.894 2.694 ( 4.890 6.789 1.074) 8.435 2.955 ( 8.854 -0.213 0.778) 8.891 3.137 ( -2.746 -5.232 -1.132) 6.016 3.395 ( -0.655 3.231 0.507) 3.335 3.802 ( 3.068 2.418 1.605) 4.223 3.916 ( -2.316 1.931 -1.914) 3.572 4.105 ( -1.160 10.362 1.889) 10.596 4.260 ( -1.059 -3.212 -0.761) 3.466 4.621 ( -1.971 -7.513 -0.419) 7.779 4.801 ( 0.629 -9.133 0.137) 9.156 5.070 ( -1.645 -2.113 -1.553) 3.095 5.362 ( 0.204 2.280 -0.359) 2.317 5.400 ( -0.720 5.463 -0.337) 5.520 5.479 ( 1.097 3.493 1.412) 3.924 5.720 ( -0.550 1.138 -0.079) 1.267 6.400 ( -0.470 -11.075 -0.149) 11.086 7.059 ( 0.416 -0.460 0.183) 0.647 7.418 ( -0.343 3.975 0.345) 4.005 7.515 ( 1.831 2.288 -1.295) 3.203 7.588 ( -1.057 2.227 -0.727) 2.570 7.657 ( -1.308 1.424 -0.146) 1.939 8.110 ( 0.380 8.254 0.190) 8.265 8.540 ( 0.031 -5.756 -0.040) 5.756 8.738 ( -10.993 -17.824 -4.300) 21.378 9.235 ( -0.481 -2.611 -0.291) 2.670 9.332 ( 1.059 1.537 -0.626) 1.969 10.493 ( 2.560 -2.018 0.441) 3.289 10.972 ( -16.070 -13.407 1.038) 20.954 12.103 ( 0.413 0.368 0.109) 0.564 12.171 ( -0.370 4.683 -0.783) 4.763 12.304 ( -0.177 0.835 -0.625) 1.058 12.312 ( -0.169 1.030 0.420) 1.125 15.915 ( 0.191 0.157 0.060) 0.255 16.001 ( -0.899 1.086 0.193) 1.423 16.265 ( 1.870 -1.171 -0.092) 2.208 16.574 ( -8.143 -6.783 -0.787) 10.628 18.383 ( 1.689 4.767 0.392) 5.072 18.535 ( 8.083 10.523 2.503) 13.503======================= Grid point 13 (9/150) =======================q-point: ( 0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( 4.568 -10.578 -2.376) 11.765 1.106 ( 5.777 -9.888 0.560) 11.466 1.228 ( -1.531 -4.699 0.635) 4.982 1.437 ( 0.192 7.501 -0.811) 7.547 1.661 ( 0.213 6.105 1.227) 6.231 1.905 ( -6.248 6.491 0.095) 9.010 2.110 ( -4.021 -1.087 -0.846) 4.250 2.243 ( 5.047 -14.770 1.803) 15.712 2.339 ( -0.986 -0.617 0.085) 1.166 2.536 ( -0.887 -3.399 -0.898) 3.625 2.608 ( 2.437 5.114 0.698) 5.708 3.068 ( 9.127 -4.691 1.028) 10.313 3.125 ( -3.599 -1.854 -1.177) 4.216 3.435 ( -3.081 -6.590 -0.688) 7.308 3.706 ( -3.175 14.337 -0.443) 14.691 3.800 ( 5.266 7.417 1.337) 9.194 3.996 ( -1.522 0.069 0.585) 1.632 4.316 ( -0.184 -3.156 -0.309) 3.177 4.763 ( -2.551 -10.007 -0.980) 10.374 4.926 ( 0.285 -3.800 0.098) 3.812 5.119 ( -1.163 -4.209 -1.365) 4.575 5.193 ( -0.037 9.761 0.250) 9.764 5.383 ( 0.453 1.292 0.629) 1.507 5.457 ( 1.295 1.335 0.672) 1.978 5.700 ( -0.228 0.719 0.018) 0.755 6.574 ( 0.146 -7.941 -0.095) 7.943 7.070 ( 0.218 -0.462 -0.020) 0.512 7.313 ( -0.174 6.544 0.293) 6.553 7.468 ( 0.702 2.643 -0.806) 2.850 7.577 ( 0.585 -0.165 -0.920) 1.103 7.620 ( -1.059 1.460 0.533) 1.881 7.991 ( 0.234 5.038 0.042) 5.044 8.642 ( 0.089 -4.866 -0.123) 4.868 8.930 ( -4.138 -10.419 -1.173) 11.272 9.268 ( -0.490 -1.560 0.105) 1.639 9.301 ( 0.646 2.320 -0.872) 2.561 10.494 ( 1.941 2.261 0.953) 3.129 11.125 ( -7.452 -11.664 -0.454) 13.849 12.087 ( -0.242 3.695 -0.451) 3.730 12.102 ( 0.280 0.075 0.273) 0.398 12.293 ( 0.018 0.316 -0.350) 0.472 12.298 ( -0.202 0.529 0.319) 0.650 15.915 ( 0.153 0.067 0.095) 0.193 15.981 ( -0.476 0.549 -0.026) 0.727 16.288 ( 1.263 0.092 0.147) 1.275 16.628 ( -3.915 -4.722 -0.546) 6.159 18.325 ( 0.295 2.767 0.076) 2.784 18.423 ( 3.659 6.708 1.132) 7.725======================= Grid point 14 (10/150) =======================q-point: (-0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( -1.214 5.482 0.566) 5.644 1.185 ( -0.251 3.597 -1.486) 3.900 1.276 ( 0.562 1.738 -0.074) 1.828 1.357 ( -2.951 -1.194 0.328) 3.200 1.587 ( 3.553 -1.225 0.566) 3.800 1.859 ( 1.366 -5.290 0.091) 5.464 2.161 ( -3.196 -6.518 -0.317) 7.266 2.284 ( -1.662 5.039 0.300) 5.315 2.388 ( 5.296 0.583 -0.622) 5.365 2.519 ( -2.745 1.919 0.786) 3.440 2.610 ( 0.164 -1.794 0.014) 1.802 3.078 ( 4.551 5.531 -0.318) 7.170 3.253 ( -3.896 6.099 0.108) 7.239 3.479 ( 0.823 -6.896 0.202) 6.948 3.526 ( -4.858 -6.864 -1.349) 8.517 3.713 ( 5.164 6.969 1.825) 8.864 3.995 ( -1.728 -0.556 -1.042) 2.093 4.355 ( 0.997 -0.461 0.438) 1.182 4.939 ( -1.285 -10.314 -0.158) 10.395 4.954 ( -0.195 -0.387 -0.371) 0.570 5.006 ( 1.060 8.991 0.521) 9.068 5.205 ( -0.171 -2.228 -0.241) 2.248 5.354 ( 0.052 1.264 0.090) 1.268 5.438 ( 0.116 1.290 0.046) 1.296 5.693 ( -0.045 -0.143 -0.016) 0.151 6.650 ( -0.061 0.271 -0.014) 0.278 7.076 ( 0.292 0.041 -0.024) 0.296 7.245 ( -0.025 -0.220 0.108) 0.246 7.445 ( 0.063 0.105 0.047) 0.131 7.576 ( 0.054 0.768 -0.166) 0.787 7.606 ( -0.231 -0.713 0.041) 0.750 7.944 ( 0.046 0.164 0.019) 0.171 8.689 ( -0.036 0.072 -0.009) 0.081 9.037 ( -0.497 -2.980 0.091) 3.022 9.272 ( 0.500 0.639 -0.448) 0.927 9.286 ( -0.166 -0.653 0.345) 0.757 10.467 ( 0.038 1.433 0.029) 1.433 11.252 ( -0.227 -5.511 -0.004) 5.516 12.053 ( 0.069 -0.284 -0.013) 0.293 12.105 ( 0.305 0.031 0.039) 0.309 12.291 ( -0.008 0.032 0.007) 0.034 12.293 ( -0.004 -0.163 -0.010) 0.164 15.914 ( 0.031 0.091 0.017) 0.098 15.978 ( 0.004 -0.357 -0.004) 0.357 16.280 ( -0.152 1.096 -0.041) 1.107 16.689 ( 0.271 -3.451 0.052) 3.462 18.283 ( -1.320 1.554 -0.352) 2.069 18.362 ( 1.133 1.919 0.317) 2.251======================= Grid point 15 (11/150) =======================q-point: (-0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( -3.311 15.294 0.687) 15.664 0.969 ( -1.854 17.681 -0.221) 17.779 1.292 ( 2.563 -2.914 0.703) 3.944 1.358 ( -3.154 -0.687 -0.795) 3.324 1.730 ( 1.559 -8.123 -0.172) 8.273 2.042 ( 2.480 -9.573 -0.155) 9.890 2.126 ( -1.119 12.293 -0.182) 12.345 2.232 ( 1.614 -0.340 0.480) 1.718 2.416 ( 3.164 0.586 -0.267) 3.229 2.461 ( -3.479 0.480 0.198) 3.517 2.618 ( 2.082 1.079 0.352) 2.371 2.796 ( -6.153 13.442 -1.123) 14.826 3.255 ( 2.813 -5.106 0.908) 5.900 3.467 ( -0.359 11.113 -0.068) 11.119 3.620 ( -2.555 -6.897 -0.799) 7.398 3.855 ( 2.433 -15.682 1.261) 15.920 3.986 ( -0.797 0.368 -1.256) 1.532 4.337 ( 0.477 2.904 0.295) 2.957 4.826 ( 0.924 10.335 0.452) 10.386 4.915 ( -0.257 4.424 -0.114) 4.433 5.166 ( 1.252 -2.162 2.017) 3.211 5.184 ( -0.666 -7.391 -1.525) 7.576 5.363 ( -0.394 -1.336 -0.384) 1.445 5.422 ( -0.486 0.013 -0.245) 0.545 5.704 ( 0.065 -1.083 -0.016) 1.085 6.571 ( -0.025 7.515 0.033) 7.515 7.069 ( 0.042 0.840 0.013) 0.841 7.317 ( 0.075 -6.599 -0.073) 6.600 7.463 ( -0.024 -1.639 0.491) 1.712 7.571 ( -0.056 -0.789 0.100) 0.798 7.633 ( 0.069 -2.162 -0.116) 2.167 7.985 ( -0.086 -4.639 -0.014) 4.640 8.640 ( -0.042 4.874 0.048) 4.874 9.030 ( 1.293 3.352 0.604) 3.643 9.279 ( 0.719 0.870 -1.011) 1.515 9.293 ( -0.578 -1.339 1.217) 1.899 10.450 ( -0.554 0.044 -0.328) 0.645 11.318 ( 3.100 -0.829 0.206) 3.216 12.095 ( 0.134 -4.009 -0.015) 4.012 12.104 ( 0.230 0.212 0.145) 0.345 12.294 ( -0.018 -0.388 0.093) 0.400 12.301 ( 0.048 -0.599 -0.087) 0.608 15.913 ( 0.014 0.002 -0.009) 0.017 15.992 ( 0.154 -1.083 -0.013) 1.094 16.256 ( -0.514 1.159 -0.079) 1.271 16.747 ( 2.216 -1.899 0.344) 2.939 18.248 ( -2.400 0.901 -0.599) 2.633 18.371 ( -0.030 -2.229 -0.063) 2.230======================= Grid point 16 (12/150) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( -0.000 14.760 -0.000) 14.760 0.624 ( -0.000 19.184 -0.000) 19.184 1.293 ( -0.000 4.941 -0.000) 4.941 1.407 ( 0.000 -5.607 0.000) 5.607 1.649 ( -0.000 35.001 -0.000) 35.001 1.834 ( 0.000 -3.039 0.000) 3.039 2.217 ( -0.000 2.007 -0.000) 2.007 2.255 ( 0.000 -3.498 0.000) 3.498 2.309 ( 0.000 -2.688 0.000) 2.688 2.585 ( 0.000 -7.028 0.000) 7.028 2.646 ( 0.000 -3.048 0.000) 3.048 2.676 ( 0.000 -0.037 0.000) 0.037 3.227 ( -0.000 14.142 -0.000) 14.142 3.382 ( 0.000 -6.957 0.000) 6.957 3.738 ( 0.000 -7.146 0.000) 7.146 3.964 ( -0.000 0.911 -0.000) 0.911 4.122 ( 0.000 -11.747 0.000) 11.747 4.278 ( -0.000 3.559 -0.000) 3.559 4.657 ( -0.000 8.435 -0.000) 8.435 4.787 ( -0.000 9.184 -0.000) 9.184 5.103 ( -0.000 3.052 -0.000) 3.052 5.363 ( -0.000 0.904 -0.000) 0.904 5.430 ( 0.000 -13.588 0.000) 13.588 5.435 ( 0.000 -1.293 0.000) 1.293 5.730 ( 0.000 -1.673 0.000) 1.673 6.412 ( -0.000 9.929 -0.000) 9.929 7.053 ( -0.000 0.836 -0.000) 0.836 7.441 ( 0.000 -6.768 0.000) 6.768 7.485 ( 0.000 -0.683 0.000) 0.683 7.607 ( 0.000 -2.853 0.000) 2.853 7.674 ( 0.000 -1.883 0.000) 1.883 8.103 ( 0.000 -8.381 0.000) 8.381 8.540 ( -0.000 5.661 -0.000) 5.661 8.959 ( -0.000 5.140 -0.000) 5.140 9.241 ( -0.000 3.070 -0.000) 3.070 9.317 ( 0.000 -1.033 0.000) 1.033 10.460 ( 0.000 -1.290 0.000) 1.290 11.324 ( -0.000 1.749 -0.000) 1.749 12.102 ( -0.000 0.058 -0.000) 0.058 12.177 ( 0.000 -4.518 0.000) 4.518 12.305 ( 0.000 -0.927 0.000) 0.927 12.312 ( 0.000 -0.630 0.000) 0.630 15.915 ( 0.000 -0.132 0.000) 0.132 16.015 ( 0.000 -1.313 0.000) 1.313 16.235 ( -0.000 0.926 -0.000) 0.926 16.782 ( 0.000 -0.733 0.000) 0.733 18.220 ( -0.000 0.692 -0.000) 0.692 18.430 ( 0.000 -4.049 0.000) 4.049======================= Grid point 19 (13/150) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.396 ( 12.344 -0.000 1.716) 12.463 0.425 ( 12.766 -0.000 6.601) 14.372 0.864 ( 22.014 -0.000 -1.415) 22.059 1.104 ( -5.659 0.000 6.249) 8.430 1.662 ( 5.644 -0.000 -0.685) 5.686 1.769 ( -4.245 0.000 -1.112) 4.388 1.935 ( -6.139 0.000 -0.791) 6.190 2.217 ( 3.976 -0.000 0.694) 4.036 2.579 ( -9.543 0.000 -2.321) 9.821 2.700 ( 3.464 -0.000 1.231) 3.676 2.714 ( 1.154 -0.000 -0.455) 1.240 2.718 ( 0.158 -0.000 -0.301) 0.340 3.194 ( 8.395 -0.000 2.728) 8.828 3.557 ( -0.875 0.000 -0.317) 0.931 3.808 ( -6.459 0.000 -1.299) 6.589 3.983 ( 0.138 -0.000 -2.006) 2.011 4.215 ( 1.266 -0.000 0.952) 1.584 4.282 ( 0.898 -0.000 0.457) 1.007 4.539 ( -2.071 0.000 1.151) 2.369 4.568 ( -0.456 0.000 -0.299) 0.546 5.044 ( -0.202 0.000 -0.581) 0.615 5.315 ( -1.197 0.000 -0.596) 1.337 5.482 ( 1.356 -0.000 0.997) 1.683 5.532 ( 0.085 -0.000 0.059) 0.104 5.715 ( -0.889 0.000 -0.260) 0.926 6.099 ( -1.659 0.000 -0.689) 1.797 7.058 ( 1.409 -0.000 0.376) 1.459 7.224 ( 0.293 -0.000 -0.000) 0.293 7.489 ( 0.086 -0.000 0.030) 0.091 7.626 ( -0.281 0.000 0.642) 0.701 7.728 ( -1.080 0.000 -1.839) 2.132 7.808 ( -0.336 0.000 -0.195) 0.388 8.348 ( 0.337 -0.000 -0.441) 0.555 8.432 ( -0.091 0.000 0.076) 0.118 9.165 ( 0.266 -0.000 0.132) 0.297 9.359 ( 1.529 -0.000 -0.618) 1.649 10.040 ( 0.143 -0.000 0.091) 0.169 10.883 ( -3.230 0.000 10.815) 11.287 12.117 ( 0.655 -0.000 0.134) 0.669 12.251 ( -0.003 0.000 -1.028) 1.028 12.323 ( -0.484 0.000 0.027) 0.485 12.372 ( -1.078 0.000 -2.864) 3.060 15.924 ( 0.375 -0.000 0.063) 0.381 16.032 ( -1.794 0.000 1.489) 2.332 16.227 ( 0.930 -0.000 -0.993) 1.360 16.285 ( -0.933 0.000 1.016) 1.380 18.516 ( -0.462 0.000 -0.106) 0.474 18.991 ( -0.014 0.000 2.136) 2.136======================= Grid point 20 (14/150) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.568 ( 10.556 -5.833 3.589) 12.583 0.821 ( 11.561 -15.937 -1.285) 19.730 1.025 ( -5.071 -10.151 2.007) 11.523 1.156 ( 7.153 -12.823 2.068) 14.828 1.680 ( 6.038 2.542 -0.025) 6.551 1.755 ( -3.383 0.022 -0.881) 3.495 1.985 ( -3.940 -7.733 -1.021) 8.739 2.194 ( 0.036 3.568 0.825) 3.662 2.418 ( -3.501 4.213 -1.507) 5.681 2.547 ( -1.906 9.639 0.501) 9.839 2.790 ( 2.862 -0.986 0.290) 3.041 2.894 ( -0.522 -9.345 -0.418) 9.369 3.155 ( 10.163 5.543 1.446) 11.666 3.490 ( -2.622 6.537 0.204) 7.046 3.791 ( -2.825 -2.865 -0.288) 4.034 3.955 ( -0.078 2.693 -0.280) 2.709 4.200 ( 0.400 1.019 0.170) 1.108 4.262 ( -0.685 4.028 0.571) 4.125 4.523 ( -1.925 -1.889 0.416) 2.729 4.645 ( 0.266 -7.893 -0.130) 7.898 5.042 ( -0.847 -0.149 -0.940) 1.274 5.333 ( -0.512 -2.551 -0.335) 2.623 5.476 ( 1.665 1.695 -0.385) 2.407 5.567 ( -2.721 3.796 -0.006) 4.670 5.721 ( -0.901 -0.947 -0.259) 1.333 6.188 ( -1.182 -10.868 -0.141) 10.933 7.063 ( 1.165 0.319 0.557) 1.330 7.413 ( -1.578 -6.333 -0.748) 6.569 7.523 ( 0.245 -1.895 0.026) 1.911 7.625 ( -1.740 0.471 -0.964) 2.045 7.675 ( -0.441 3.150 -0.751) 3.268 8.111 ( -10.140 -28.617 -1.842) 30.416 8.292 ( -0.812 2.589 -1.985) 3.362 8.460 ( -0.013 -3.207 -0.029) 3.208 9.187 ( -0.064 -2.061 -0.116) 2.066 9.361 ( 1.314 0.848 -0.509) 1.644 10.248 ( -3.013 -20.208 -1.101) 20.461 10.814 ( -4.980 4.388 5.928) 8.899 12.116 ( 0.623 0.543 0.134) 0.838 12.232 ( -0.118 2.248 -0.903) 2.425 12.313 ( -0.622 0.507 -0.332) 0.868 12.339 ( -0.514 1.976 -0.615) 2.133 15.922 ( 0.438 0.357 0.079) 0.570 16.011 ( -1.363 0.837 0.491) 1.673 16.251 ( 1.600 -1.677 -0.800) 2.452 16.373 ( -4.897 -8.499 0.425) 9.818 18.472 ( -0.059 4.118 0.009) 4.119 18.836 ( 5.556 14.223 2.394) 15.456======================= Grid point 21 (15/150) =======================q-point: ( 0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( 6.634 -9.066 -0.197) 11.236 1.017 ( 4.760 -7.030 -2.450) 8.836 1.101 ( -0.800 -3.978 3.393) 5.289 1.558 ( 1.008 -3.560 -0.265) 3.710 1.673 ( -5.930 -7.649 -0.756) 9.708 1.784 ( 3.777 -7.116 -0.191) 8.058 2.041 ( 1.203 -3.452 1.869) 4.106 2.184 ( -1.476 2.830 0.089) 3.193 2.323 ( 1.416 2.177 0.382) 2.625 2.441 ( -4.646 -2.036 -1.368) 5.253 2.764 ( 4.409 6.583 0.842) 7.968 2.995 ( -2.536 -3.753 -0.786) 4.597 3.176 ( 7.672 1.128 0.391) 7.765 3.366 ( -3.694 2.348 0.088) 4.378 3.843 ( 1.977 -1.355 1.765) 2.976 3.883 ( -1.467 4.381 -1.865) 4.983 4.095 ( -0.639 10.259 1.433) 10.378 4.243 ( -0.978 -3.613 -0.697) 3.808 4.594 ( -1.558 -6.919 -0.272) 7.097 4.809 ( 0.351 -9.108 0.049) 9.115 5.045 ( -1.210 -1.701 -1.073) 2.347 5.367 ( 0.562 4.006 -0.253) 4.054 5.389 ( -0.778 3.820 -0.125) 3.900 5.494 ( 0.581 1.766 0.796) 2.023 5.713 ( -0.398 0.826 -0.064) 0.919 6.395 ( -0.224 -11.701 -0.118) 11.703 7.066 ( 0.517 -0.031 0.221) 0.563 7.420 ( 0.296 4.058 0.456) 4.094 7.544 ( 2.482 3.219 -1.123) 4.217 7.573 ( -0.645 0.469 -0.489) 0.936 7.631 ( -2.363 0.939 -0.092) 2.544 8.116 ( 0.262 8.132 0.157) 8.138 8.540 ( -0.022 -6.310 0.067) 6.310 8.594 ( -7.245 -22.917 -2.720) 24.189 9.227 ( -0.445 -2.382 -0.299) 2.442 9.345 ( 0.807 1.858 -0.415) 2.068 10.545 ( 4.836 -4.600 0.237) 6.678 10.774 ( -11.811 -13.129 1.036) 17.690 12.110 ( 0.459 0.531 0.044) 0.703 12.164 ( -0.327 4.678 -0.408) 4.707 12.300 ( -0.201 0.489 -0.410) 0.669 12.310 ( -0.204 1.037 0.289) 1.095 15.920 ( 0.332 0.268 0.095) 0.438 15.989 ( -0.825 0.773 0.052) 1.132 16.293 ( 1.922 -1.091 -0.097) 2.212 16.479 ( -4.845 -7.690 -0.287) 9.094 18.393 ( 0.243 4.422 0.097) 4.430 18.632 ( 4.459 12.657 1.474) 13.500======================= Grid point 22 (16/150) =======================q-point: ( 0.62 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( 1.707 -8.031 -1.042) 8.277 1.169 ( 2.660 -5.814 -0.101) 6.395 1.211 ( -1.014 -8.925 0.702) 9.010 1.422 ( -1.059 11.281 -0.564) 11.344 1.708 ( 5.305 4.476 1.053) 7.020 1.809 ( -6.757 1.044 -0.389) 6.848 2.069 ( -1.471 1.421 -0.325) 2.071 2.292 ( 1.155 -12.786 0.607) 12.852 2.352 ( 1.882 0.630 0.672) 2.095 2.514 ( -1.312 -7.214 -0.706) 7.367 2.635 ( 0.986 9.285 0.269) 9.341 3.081 ( -1.408 -10.053 -0.454) 10.161 3.185 ( 5.444 2.276 0.444) 5.917 3.381 ( -3.416 -5.582 -0.433) 6.558 3.666 ( -1.555 16.229 -0.329) 16.307 3.884 ( 5.328 5.362 1.816) 7.774 3.958 ( -3.701 0.386 -0.985) 3.849 4.318 ( 0.244 -4.178 0.017) 4.185 4.732 ( -1.204 -9.776 -0.430) 9.860 4.929 ( 0.094 -3.513 0.032) 3.515 5.105 ( -0.446 -5.908 -0.487) 5.944 5.193 ( -0.022 10.167 0.031) 10.167 5.388 ( 0.132 1.083 0.234) 1.116 5.471 ( 0.535 1.686 0.277) 1.790 5.697 ( -0.109 0.591 0.002) 0.601 6.575 ( 0.059 -8.009 -0.045) 8.009 7.073 ( 0.171 -0.416 -0.002) 0.450 7.312 ( -0.066 6.639 0.145) 6.641 7.477 ( 0.455 3.404 -0.241) 3.443 7.586 ( 0.954 -0.351 -1.140) 1.527 7.604 ( -1.289 0.838 0.875) 1.769 7.993 ( 0.104 5.160 0.018) 5.161 8.643 ( 0.050 -4.789 -0.050) 4.789 8.883 ( -1.841 -13.185 -0.449) 13.320 9.261 ( -0.287 -1.813 -0.121) 1.839 9.308 ( 0.366 2.470 -0.231) 2.507 10.519 ( 1.020 4.056 0.442) 4.205 11.044 ( -3.179 -16.475 -0.202) 16.780 12.084 ( -0.074 3.542 -0.156) 3.546 12.107 ( 0.195 0.108 0.098) 0.244 12.293 ( 0.036 0.219 -0.242) 0.328 12.296 ( -0.129 0.493 0.227) 0.558 15.917 ( 0.107 0.197 0.057) 0.231 15.976 ( -0.230 0.214 -0.026) 0.316 16.302 ( 0.545 0.987 0.054) 1.129 16.588 ( -1.492 -6.975 -0.196) 7.135 18.324 ( -0.101 3.386 -0.017) 3.387 18.464 ( 1.521 8.320 0.472) 8.471======================= Grid point 23 (17/150) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( -0.000 7.753 -0.000) 7.753 1.180 ( -0.000 5.488 -0.000) 5.488 1.283 ( -0.000 3.106 -0.000) 3.106 1.332 ( 0.000 -3.507 0.000) 3.507 1.617 ( 0.000 -0.509 0.000) 0.509 1.873 ( 0.000 -8.368 0.000) 8.368 2.132 ( 0.000 -7.444 0.000) 7.444 2.272 ( -0.000 5.939 -0.000) 5.939 2.452 ( 0.000 -3.563 0.000) 3.563 2.474 ( -0.000 7.028 -0.000) 7.028 2.611 ( 0.000 -2.579 0.000) 2.579 3.143 ( -0.000 16.408 -0.000) 16.408 3.194 ( 0.000 -1.912 0.000) 1.912 3.484 ( 0.000 -5.232 0.000) 5.232 3.491 ( 0.000 -9.489 0.000) 9.489 3.757 ( -0.000 7.548 -0.000) 7.548 3.977 ( 0.000 -1.368 0.000) 1.368 4.365 ( 0.000 -0.508 0.000) 0.508 4.928 ( 0.000 -12.361 0.000) 12.361 4.953 ( -0.000 0.360 -0.000) 0.360 5.015 ( -0.000 9.573 -0.000) 9.573 5.203 ( 0.000 -3.140 0.000) 3.140 5.355 ( -0.000 1.742 -0.000) 1.742 5.439 ( -0.000 1.822 -0.000) 1.822 5.693 ( 0.000 -0.204 0.000) 0.204 6.649 ( -0.000 0.373 -0.000) 0.373 7.078 ( -0.000 0.081 -0.000) 0.081 7.244 ( 0.000 -0.319 0.000) 0.319 7.445 ( -0.000 0.155 -0.000) 0.155 7.576 ( -0.000 1.147 -0.000) 1.147 7.604 ( 0.000 -1.079 0.000) 1.079 7.945 ( -0.000 0.232 -0.000) 0.232 8.688 ( -0.000 0.106 -0.000) 0.106 9.033 ( 0.000 -4.139 0.000) 4.139 9.276 ( -0.000 0.658 -0.000) 0.658 9.284 ( 0.000 -0.760 0.000) 0.760 10.467 ( -0.000 2.036 -0.000) 2.036 11.250 ( 0.000 -7.780 0.000) 7.780 12.053 ( 0.000 -0.393 0.000) 0.393 12.108 ( -0.000 0.010 -0.000) 0.010 12.291 ( -0.000 0.044 -0.000) 0.044 12.293 ( 0.000 -0.231 0.000) 0.231 15.915 ( -0.000 0.130 -0.000) 0.130 15.978 ( 0.000 -0.508 0.000) 0.508 16.278 ( -0.000 1.536 -0.000) 1.536 16.691 ( 0.000 -4.885 0.000) 4.885 18.272 ( -0.000 2.370 -0.000) 2.370 18.372 ( -0.000 2.561 -0.000) 2.561======================= Grid point 28 (18/150) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( 7.991 -0.000 1.256) 8.089 0.606 ( 11.020 -0.000 3.781) 11.651 0.899 ( -8.258 0.000 -0.225) 8.261 1.240 ( 13.511 -0.000 2.912) 13.821 1.717 ( -2.537 0.000 -0.696) 2.631 1.752 ( 7.016 -0.000 0.361) 7.025 1.845 ( -5.313 0.000 -0.844) 5.380 2.270 ( 2.890 -0.000 0.539) 2.940 2.436 ( -9.094 0.000 -2.135) 9.341 2.701 ( -0.700 0.000 -0.200) 0.728 2.731 ( 1.120 -0.000 -0.203) 1.138 2.763 ( 3.009 -0.000 0.855) 3.128 3.316 ( 7.500 -0.000 1.740) 7.699 3.545 ( -0.657 0.000 -0.241) 0.700 3.705 ( -6.926 0.000 -1.103) 7.014 3.984 ( 0.296 -0.000 -0.527) 0.604 4.235 ( 1.050 -0.000 0.656) 1.238 4.295 ( 0.733 -0.000 0.374) 0.823 4.501 ( -2.862 0.000 0.429) 2.894 4.561 ( -0.386 0.000 -0.243) 0.456 5.040 ( -0.244 0.000 -0.454) 0.515 5.298 ( -0.883 0.000 -0.608) 1.072 5.506 ( 1.494 -0.000 0.581) 1.603 5.533 ( 0.074 -0.000 0.048) 0.088 5.701 ( -0.883 0.000 -0.295) 0.931 6.075 ( -1.268 0.000 -0.475) 1.354 7.081 ( 1.416 -0.000 0.397) 1.471 7.228 ( 0.226 -0.000 0.005) 0.226 7.490 ( 0.057 -0.000 0.028) 0.064 7.618 ( -0.767 0.000 0.255) 0.808 7.716 ( -0.318 0.000 -0.901) 0.956 7.803 ( -0.231 0.000 -0.140) 0.270 8.351 ( 0.258 -0.000 -0.314) 0.407 8.431 ( -0.068 0.000 0.051) 0.085 9.169 ( 0.184 -0.000 0.093) 0.206 9.377 ( 1.017 -0.000 -0.462) 1.117 10.042 ( 0.101 -0.000 0.064) 0.120 10.861 ( -1.843 0.000 4.514) 4.875 12.126 ( 0.504 -0.000 0.098) 0.513 12.251 ( 0.163 -0.000 -0.601) 0.622 12.312 ( -0.793 0.000 -0.241) 0.828 12.354 ( -0.720 0.000 -0.793) 1.071 15.930 ( 0.478 -0.000 0.066) 0.483 16.010 ( -1.391 0.000 0.481) 1.472 16.240 ( 1.199 -0.000 -1.291) 1.762 16.272 ( -1.201 0.000 1.308) 1.775 18.511 ( -0.307 0.000 -0.061) 0.313 18.995 ( 0.027 -0.000 1.068) 1.069======================= Grid point 29 (19/150) =======================q-point: ( 0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( 8.175 -3.564 2.025) 9.145 0.857 ( -5.020 -8.493 -1.659) 10.004 1.022 ( 3.667 -28.565 2.298) 28.891 1.221 ( 1.222 4.169 -0.279) 4.353 1.686 ( -1.735 2.732 -0.560) 3.285 1.795 ( 3.852 -0.242 0.069) 3.860 1.971 ( 2.194 -12.352 0.828) 12.573 2.171 ( -3.316 8.305 -0.354) 8.949 2.372 ( -1.657 -0.014 -0.793) 1.837 2.528 ( -0.773 11.680 0.167) 11.706 2.830 ( 2.270 -2.886 0.272) 3.681 2.881 ( -1.143 -7.190 -0.225) 7.284 3.289 ( 7.355 5.352 0.789) 9.130 3.433 ( -4.694 7.691 -0.317) 9.016 3.761 ( -1.092 -6.668 -0.063) 6.757 3.954 ( -0.050 3.113 -0.061) 3.114 4.209 ( 0.478 1.629 0.107) 1.701 4.251 ( -0.651 5.775 0.230) 5.816 4.499 ( -1.059 -2.614 0.105) 2.823 4.647 ( 0.101 -8.342 -0.051) 8.343 5.030 ( -0.413 0.410 -0.415) 0.715 5.326 ( -0.256 -3.148 -0.160) 3.162 5.502 ( 2.010 2.052 -0.401) 2.901 5.532 ( -2.161 3.378 0.298) 4.021 5.711 ( -0.348 -1.020 -0.108) 1.083 6.176 ( -0.435 -11.275 -0.074) 11.283 7.079 ( 0.702 0.823 0.310) 1.125 7.400 ( -0.316 -8.868 -0.241) 8.877 7.529 ( 0.408 -3.291 0.110) 3.318 7.601 ( -1.086 1.024 -0.518) 1.580 7.669 ( -0.210 4.371 -0.311) 4.387 8.017 ( -3.018 -24.926 -0.570) 25.115 8.288 ( 0.035 5.840 -0.444) 5.857 8.460 ( -0.005 -3.253 -0.003) 3.253 9.186 ( -0.032 -1.711 -0.043) 1.712 9.374 ( 0.521 0.920 -0.233) 1.083 10.223 ( -0.697 -19.187 -0.183) 19.201 10.777 ( -1.521 7.385 1.863) 7.767 12.124 ( 0.284 0.555 0.053) 0.626 12.230 ( -0.041 2.545 -0.335) 2.567 12.305 ( -0.366 0.270 -0.193) 0.495 12.333 ( -0.226 1.531 -0.069) 1.549 15.929 ( 0.315 0.417 0.052) 0.525 15.996 ( -0.709 0.622 0.120) 0.951 16.273 ( 1.577 -2.299 -0.675) 2.869 16.322 ( -2.397 -5.946 0.589) 6.438 18.471 ( -0.050 3.771 0.007) 3.772 18.885 ( 1.387 11.216 0.738) 11.326======================= Grid point 30 (20/150) =======================q-point: ( 0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 0.000 -6.629 0.000) 6.629 1.008 ( 0.000 -11.415 0.000) 11.415 1.135 ( -0.000 0.974 -0.000) 0.974 1.593 ( -0.000 7.204 -0.000) 7.204 1.594 ( 0.000 -22.691 0.000) 22.691 1.808 ( -0.000 0.639 -0.000) 0.639 2.070 ( 0.000 -4.357 0.000) 4.357 2.165 ( -0.000 1.235 -0.000) 1.235 2.366 ( 0.000 -1.399 0.000) 1.399 2.372 ( 0.000 -0.042 0.000) 0.042 2.804 ( -0.000 7.028 -0.000) 7.028 2.963 ( 0.000 -3.660 0.000) 3.660 3.286 ( -0.000 5.524 -0.000) 5.524 3.291 ( 0.000 -1.837 0.000) 1.837 3.861 ( 0.000 -4.708 0.000) 4.708 3.869 ( -0.000 7.118 -0.000) 7.118 4.092 ( -0.000 10.560 -0.000) 10.560 4.235 ( 0.000 -4.040 0.000) 4.040 4.582 ( 0.000 -6.680 0.000) 6.680 4.811 ( 0.000 -9.100 0.000) 9.100 5.035 ( 0.000 -1.587 0.000) 1.587 5.376 ( -0.000 10.015 -0.000) 10.015 5.378 ( 0.000 -2.166 0.000) 2.166 5.499 ( -0.000 1.138 -0.000) 1.138 5.709 ( -0.000 0.708 -0.000) 0.708 6.393 ( 0.000 -11.929 0.000) 11.929 7.071 ( -0.000 0.214 -0.000) 0.214 7.423 ( -0.000 4.344 -0.000) 4.344 7.559 ( -0.000 4.160 -0.000) 4.160 7.585 ( -0.000 0.004 -0.000) 0.004 7.597 ( 0.000 -0.268 0.000) 0.268 8.118 ( -0.000 8.057 -0.000) 8.057 8.535 ( 0.000 -25.113 0.000) 25.113 8.543 ( 0.000 -5.758 0.000) 5.758 9.223 ( 0.000 -2.253 0.000) 2.253 9.350 ( -0.000 1.945 -0.000) 1.945 10.628 ( -0.000 7.479 -0.000) 7.479 10.643 ( 0.000 -25.364 0.000) 25.364 12.114 ( -0.000 0.561 -0.000) 0.561 12.162 ( -0.000 4.670 -0.000) 4.670 12.298 ( -0.000 0.329 -0.000) 0.329 12.309 ( -0.000 1.019 -0.000) 1.019 15.923 ( -0.000 0.349 -0.000) 0.349 15.982 ( -0.000 0.596 -0.000) 0.596 16.310 ( 0.000 -0.702 0.000) 0.702 16.441 ( 0.000 -8.113 0.000) 8.113 18.395 ( -0.000 4.400 -0.000) 4.400 18.666 ( -0.000 12.884 -0.000) 12.884======================= Grid point 39 (21/150) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 86Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 0.000 -0.000 -0.000) 0.000 0.737 ( 0.000 -0.000 0.000) 0.000 0.787 ( -0.000 0.000 -0.000) 0.000 1.342 ( 0.000 -0.000 -0.000) 0.000 1.698 ( 0.000 -0.000 -0.000) 0.000 1.802 ( 0.000 -0.000 -0.000) 0.000 1.821 ( 0.000 -0.000 0.000) 0.000 2.293 ( 0.000 -0.000 -0.000) 0.000 2.355 ( 0.000 -0.000 -0.000) 0.000 2.695 ( 0.000 -0.000 -0.000) 0.000 2.740 ( 0.000 -0.000 -0.000) 0.000 2.787 ( 0.000 -0.000 0.000) 0.000 3.384 ( 0.000 -0.000 -0.000) 0.000 3.539 ( 0.000 -0.000 -0.000) 0.000 3.642 ( 0.000 -0.000 0.000) 0.000 3.986 ( 0.000 -0.000 -0.000) 0.000 4.243 ( 0.000 -0.000 -0.000) 0.000 4.301 ( 0.000 -0.000 0.000) 0.000 4.478 ( 0.000 -0.000 -0.000) 0.000 4.558 ( 0.000 -0.000 0.000) 0.000 5.037 ( 0.000 -0.000 -0.000) 0.000 5.290 ( 0.000 -0.000 -0.000) 0.000 5.519 ( 0.000 -0.000 0.000) 0.000 5.534 ( 0.000 -0.000 -0.000) 0.000 5.693 ( 0.000 -0.000 -0.000) 0.000 6.065 ( 0.000 -0.000 -0.000) 0.000 7.093 ( 0.000 -0.000 -0.000) 0.000 7.229 ( 0.000 -0.000 -0.000) 0.000 7.490 ( 0.000 -0.000 -0.000) 0.000 7.612 ( 0.000 -0.000 -0.000) 0.000 7.713 ( 0.000 -0.000 -0.000) 0.000 7.801 ( 0.000 -0.000 0.000) 0.000 8.353 ( 0.000 -0.000 -0.000) 0.000 8.431 ( 0.000 -0.000 -0.000) 0.000 9.170 ( 0.000 -0.000 -0.000) 0.000 9.384 ( 0.000 -0.000 0.000) 0.000 10.043 ( 0.000 -0.000 -0.000) 0.000 10.852 ( 0.000 -0.000 0.000) 0.000 12.130 ( 0.000 -0.000 -0.000) 0.000 12.252 ( 0.000 -0.000 -0.000) 0.000 12.305 ( 0.000 -0.000 -0.000) 0.000 12.348 ( 0.000 -0.000 -0.000) 0.000 15.935 ( 0.000 -0.000 -0.000) 0.000 15.999 ( 0.000 -0.000 -0.000) 0.000 16.253 ( -0.000 0.000 0.000) 0.000 16.259 ( 0.000 -0.000 -0.000) 0.000 18.508 ( 0.000 -0.000 -0.000) 0.000 18.996 ( 0.000 -0.000 0.000) 0.000======================= Grid point 69 (22/150) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.220 ( 0.288 -0.000 10.700) 10.704 0.229 ( 2.353 -0.000 11.554) 11.791 0.530 ( 1.248 -0.000 23.310) 23.343 1.407 ( 1.161 -0.000 10.549) 10.612 1.723 ( 0.245 -0.000 12.379) 12.381 1.875 ( -1.930 0.000 0.072) 1.931 2.013 ( 0.658 -0.000 1.331) 1.485 2.158 ( 0.201 -0.000 -0.517) 0.554 2.617 ( 1.143 -0.000 0.247) 1.170 2.659 ( 3.464 -0.000 -2.668) 4.372 2.699 ( -1.338 0.000 0.315) 1.374 2.732 ( -0.356 0.000 0.251) 0.436 2.870 ( 5.611 -0.000 7.589) 9.438 3.579 ( -0.365 0.000 0.563) 0.671 3.870 ( -0.505 0.000 -3.419) 3.456 4.029 ( -7.069 0.000 -1.839) 7.304 4.189 ( 1.854 -0.000 0.011) 1.855 4.267 ( 0.364 -0.000 0.119) 0.383 4.543 ( 0.705 -0.000 -0.315) 0.773 4.576 ( -0.261 0.000 0.000) 0.261 5.047 ( -0.473 0.000 -0.074) 0.479 5.330 ( -0.121 0.000 -2.722) 2.725 5.528 ( 0.079 -0.000 -0.224) 0.238 5.544 ( -0.334 0.000 -0.425) 0.541 5.711 ( 0.106 -0.000 -1.750) 1.754 6.119 ( -0.253 0.000 -0.934) 0.968 7.050 ( 0.176 -0.000 0.340) 0.383 7.214 ( 0.060 -0.000 -0.445) 0.449 7.491 ( -0.028 0.000 0.380) 0.381 7.624 ( 0.712 -0.000 0.102) 0.719 7.667 ( -0.515 0.000 -0.556) 0.758 7.813 ( -0.173 0.000 -0.218) 0.278 8.346 ( 0.448 -0.000 0.249) 0.512 8.441 ( -0.031 0.000 0.727) 0.728 9.163 ( 0.101 -0.000 0.249) 0.269 9.319 ( 0.059 -0.000 -1.184) 1.186 10.039 ( 0.064 -0.000 0.178) 0.189 10.708 ( 26.700 -0.000 -1.570) 26.746 12.110 ( -0.070 0.000 0.477) 0.482 12.291 ( 0.414 -0.000 -0.104) 0.427 12.321 ( -0.133 0.000 -0.377) 0.400 12.430 ( -8.571 0.000 0.290) 8.576 15.930 ( -0.107 0.000 1.106) 1.111 16.196 ( 0.499 -0.000 0.281) 0.572 16.201 ( -0.324 0.000 -1.090) 1.137 16.319 ( 0.240 -0.000 1.845) 1.860 18.244 ( 19.224 -0.000 -1.166) 19.259 18.501 ( 2.207 -0.000 -2.340) 3.216======================= Grid point 70 (23/150) =======================q-point: ( 0.12 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( 11.195 -10.962 5.767) 16.696 0.538 ( 3.068 -6.310 15.835) 17.320 0.927 ( 3.812 -38.638 6.171) 39.313 1.407 ( -3.736 -1.620 11.283) 11.995 1.636 ( 1.605 4.504 12.175) 13.080 1.866 ( -2.268 0.087 0.464) 2.317 2.112 ( -4.615 -3.995 -1.593) 6.308 2.224 ( -0.654 -4.336 0.143) 4.388 2.468 ( -2.603 7.876 -0.037) 8.295 2.644 ( -4.374 3.912 0.304) 5.876 2.708 ( 3.672 3.348 0.571) 5.002 2.791 ( 9.533 0.694 0.888) 9.599 2.996 ( -0.404 -10.639 2.822) 11.014 3.528 ( 0.559 6.380 1.244) 6.524 3.819 ( -0.224 3.968 -3.067) 5.020 3.953 ( -1.210 1.473 -0.709) 2.033 4.212 ( -0.633 -2.326 0.185) 2.417 4.268 ( 0.866 2.168 0.603) 2.411 4.550 ( 0.144 -1.677 -0.616) 1.792 4.637 ( 0.138 -6.855 0.110) 6.857 5.052 ( -0.890 -0.890 -0.690) 1.435 5.321 ( 0.062 -1.335 -1.966) 2.378 5.451 ( -0.295 1.637 -0.256) 1.683 5.612 ( -0.818 7.142 -2.360) 7.566 5.735 ( -0.914 -0.374 -1.968) 2.202 6.217 ( -0.674 -9.918 -1.177) 10.010 7.047 ( 0.380 -0.077 0.260) 0.466 7.477 ( -2.944 -0.256 -0.804) 3.062 7.525 ( -0.515 0.947 -1.576) 1.910 7.641 ( -0.878 1.788 -0.846) 2.164 7.666 ( -0.073 -1.467 -1.451) 2.064 8.263 ( 0.293 7.965 0.078) 7.971 8.379 ( -12.180 -36.868 -22.271) 44.762 8.474 ( -1.433 -5.119 -0.407) 5.332 9.185 ( 0.064 -2.239 -0.045) 2.240 9.319 ( 0.334 0.228 -0.966) 1.048 10.335 ( -6.388 -17.743 -6.519) 19.953 10.926 ( 7.264 -8.272 -15.786) 19.245 12.103 ( 0.348 0.734 0.226) 0.844 12.264 ( -2.169 2.605 1.142) 3.577 12.312 ( -0.555 0.532 -0.290) 0.822 12.350 ( -1.246 2.233 1.883) 3.176 15.926 ( -0.054 0.266 1.024) 1.060 16.082 ( -0.646 3.427 3.042) 4.628 16.218 ( -0.190 -1.249 -0.225) 1.283 16.555 ( -6.873 -12.061 -7.752) 15.900 18.323 ( 15.450 5.631 -2.940) 16.705 18.495 ( 5.542 3.877 -1.755) 6.988======================= Grid point 71 (24/150) =======================q-point: ( 0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( 2.761 -7.124 9.488) 12.182 0.715 ( 9.681 -14.574 2.865) 17.730 1.358 ( -2.762 -4.335 10.830) 11.988 1.559 ( 2.112 3.380 6.735) 7.826 1.725 ( 1.264 -31.951 6.650) 32.660 1.830 ( -3.889 2.128 1.740) 4.763 2.138 ( -4.880 -2.230 -0.184) 5.369 2.234 ( -1.918 4.153 1.509) 4.817 2.362 ( -0.813 1.207 1.939) 2.424 2.531 ( -4.553 2.984 -1.734) 5.713 2.657 ( 4.149 5.322 2.457) 7.181 2.836 ( 10.642 1.293 2.063) 10.917 3.172 ( -4.762 -8.404 -1.132) 9.726 3.414 ( 0.356 4.396 1.494) 4.657 3.756 ( 3.887 4.006 -1.161) 5.701 3.912 ( -2.202 2.700 -2.335) 4.194 4.150 ( -0.336 9.202 1.785) 9.380 4.266 ( -1.070 -3.366 -0.232) 3.539 4.629 ( -1.379 -7.388 -1.494) 7.663 4.797 ( 0.595 -9.363 0.316) 9.387 5.063 ( -1.676 -1.806 -1.868) 3.092 5.335 ( 0.109 3.035 -2.230) 3.768 5.393 ( -0.214 3.514 -1.225) 3.728 5.482 ( 1.347 4.730 0.828) 4.987 5.713 ( -0.327 1.343 -1.299) 1.897 6.399 ( -0.349 -10.451 -0.715) 10.481 7.054 ( 0.277 -0.452 -0.087) 0.537 7.434 ( -0.999 3.878 0.272) 4.014 7.477 ( 0.542 3.157 -0.797) 3.301 7.593 ( -0.927 2.007 -0.358) 2.240 7.662 ( -0.597 1.003 -0.768) 1.398 8.105 ( 0.395 8.699 -0.114) 8.709 8.546 ( -0.124 -5.538 0.632) 5.575 8.751 ( -7.881 -17.544 -9.546) 21.471 9.230 ( -0.174 -2.502 -0.802) 2.633 9.310 ( 0.334 1.060 -0.565) 1.247 10.472 ( 1.035 -2.235 0.172) 2.469 11.065 ( -7.995 -10.473 -12.056) 17.860 12.092 ( 0.534 0.874 -0.485) 1.133 12.190 ( -1.376 4.111 1.497) 4.586 12.299 ( -0.248 0.564 -0.200) 0.648 12.322 ( 0.071 1.173 0.587) 1.313 15.924 ( -0.030 0.099 0.977) 0.982 16.035 ( -0.892 1.869 1.964) 2.854 16.248 ( 0.868 -1.615 0.485) 1.897 16.635 ( -6.186 -4.529 -4.957) 9.130 18.311 ( 6.623 3.603 -1.462) 7.680 18.441 ( 4.666 5.718 -1.296) 7.493======================= Grid point 72 (25/150) =======================q-point: ( 0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.857 ( 2.889 -9.150 2.118) 9.826 1.046 ( 6.047 -15.525 2.022) 16.784 1.390 ( -1.723 0.859 12.229) 12.380 1.507 ( 0.166 1.727 8.565) 8.739 1.728 ( -3.282 6.236 2.985) 7.653 2.006 ( -5.393 11.017 2.246) 12.470 2.164 ( -4.835 -2.478 -0.479) 5.454 2.211 ( 4.503 -12.251 3.259) 13.453 2.375 ( -3.048 -1.219 0.579) 3.333 2.526 ( 1.128 -3.670 0.439) 3.864 2.611 ( 1.417 1.764 2.595) 3.443 2.954 ( 9.790 -7.182 1.589) 12.245 3.157 ( -4.914 1.111 -2.193) 5.495 3.463 ( -1.872 -7.058 0.175) 7.304 3.717 ( 6.347 5.693 1.480) 8.653 3.749 ( -3.297 13.235 -2.970) 13.960 4.027 ( -1.073 2.675 0.667) 2.958 4.321 ( -0.596 -3.064 0.257) 3.132 4.769 ( -2.402 -9.792 -2.261) 10.333 4.926 ( 0.328 -3.966 0.377) 3.998 5.098 ( -0.539 -1.907 -2.321) 3.053 5.183 ( -0.185 7.857 -1.606) 8.022 5.380 ( 0.795 1.180 -0.028) 1.422 5.447 ( 1.244 1.449 0.439) 1.960 5.689 ( -0.057 0.935 -1.318) 1.617 6.565 ( 0.225 -7.767 -0.578) 7.792 7.064 ( 0.031 -0.478 -0.376) 0.609 7.323 ( -0.151 6.810 0.500) 6.830 7.443 ( 0.243 1.000 -0.797) 1.301 7.566 ( -0.138 0.551 -0.199) 0.602 7.638 ( -0.320 1.054 0.384) 1.166 7.983 ( 0.301 4.968 -0.441) 4.997 8.643 ( -0.045 -4.754 0.333) 4.765 8.947 ( -3.286 -10.005 -2.927) 10.930 9.253 ( 0.211 0.396 -1.957) 2.008 9.292 ( -0.087 0.206 0.370) 0.432 10.480 ( 1.613 1.460 0.489) 2.230 11.169 ( -5.745 -7.352 -5.959) 11.071 12.074 ( 0.222 1.703 -0.770) 1.883 12.122 ( -0.577 2.123 1.341) 2.577 12.290 ( -0.121 0.252 -0.101) 0.297 12.306 ( -0.061 0.699 0.337) 0.778 15.924 ( -0.006 0.023 0.987) 0.987 16.005 ( -0.725 0.992 1.665) 2.069 16.279 ( 1.031 -0.833 0.857) 1.578 16.649 ( -3.520 -1.983 -3.494) 5.342 18.294 ( 2.360 1.738 -1.366) 3.234 18.372 ( 2.638 4.408 -1.247) 5.286======================= Grid point 73 (26/150) =======================q-point: (-0.50 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 0.722 -3.042 -1.669) 3.544 1.281 ( -3.814 9.270 5.278) 11.329 1.317 ( 0.627 -9.104 4.831) 10.325 1.520 ( -2.953 -0.342 11.936) 12.300 1.618 ( 1.163 2.862 8.030) 8.604 1.846 ( 0.320 0.028 0.078) 0.330 2.187 ( -1.329 -1.916 -0.296) 2.350 2.315 ( 3.275 0.539 0.127) 3.322 2.342 ( -2.717 1.821 1.572) 3.629 2.582 ( 0.240 0.295 4.336) 4.353 2.612 ( -0.201 -0.504 0.460) 0.711 3.033 ( -0.306 1.716 -1.068) 2.044 3.278 ( 0.358 -0.885 -0.303) 1.002 3.469 ( 0.404 -1.669 -0.288) 1.741 3.575 ( -6.469 -5.346 -2.291) 8.699 3.663 ( 7.176 6.643 2.407) 10.071 3.995 ( -1.725 0.801 -1.711) 2.559 4.357 ( 0.684 -0.524 1.050) 1.359 4.938 ( -1.521 -11.047 -2.362) 11.399 4.953 ( 0.391 1.372 0.147) 1.434 4.985 ( 1.486 8.564 -0.496) 8.706 5.190 ( -0.181 -1.959 -1.751) 2.633 5.352 ( 0.172 1.521 -0.150) 1.538 5.433 ( 0.094 0.739 -0.293) 0.801 5.679 ( 0.166 0.041 -1.383) 1.393 6.644 ( 0.057 -0.087 -0.602) 0.611 7.069 ( 0.015 -0.129 -0.424) 0.444 7.250 ( 0.141 0.243 0.473) 0.550 7.442 ( 0.113 -0.936 -0.147) 0.954 7.569 ( -0.188 -0.844 -0.336) 0.928 7.623 ( -0.136 0.540 1.047) 1.186 7.938 ( 0.110 0.055 -0.554) 0.567 8.691 ( -0.047 -0.185 0.237) 0.304 9.039 ( 0.153 -0.956 -0.295) 1.012 9.236 ( 0.151 0.068 -2.226) 2.232 9.303 ( -0.073 -0.959 0.708) 1.194 10.462 ( 0.103 1.039 -0.394) 1.116 11.218 ( 0.481 -0.564 -3.437) 3.516 12.053 ( -0.021 -0.270 0.065) 0.278 12.106 ( -0.008 0.108 0.455) 0.467 12.288 ( 0.016 -0.129 -0.084) 0.155 12.298 ( -0.055 0.109 0.320) 0.343 15.923 ( -0.100 0.112 0.915) 0.927 15.995 ( -0.248 -0.061 1.695) 1.714 16.288 ( -0.173 0.258 0.736) 0.799 16.659 ( 0.468 -0.719 -2.694) 2.827 18.279 ( -0.600 0.468 -1.762) 1.919 18.334 ( 0.999 0.871 -1.481) 1.988======================= Grid point 74 (27/150) =======================q-point: (-0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( -4.640 9.793 2.544) 11.131 1.029 ( -7.180 14.074 2.570) 16.007 1.385 ( -0.036 -0.903 10.883) 10.921 1.498 ( -4.557 -0.606 8.045) 9.265 1.718 ( 3.417 -7.317 3.729) 8.895 2.002 ( 5.486 -11.470 2.671) 12.992 2.159 ( -2.962 14.711 0.359) 15.011 2.209 ( 3.985 1.073 2.089) 4.626 2.379 ( 2.849 0.774 0.728) 3.041 2.536 ( -3.749 1.134 2.122) 4.455 2.596 ( 1.250 2.309 0.425) 2.660 2.890 ( -10.276 6.814 -1.877) 12.472 3.225 ( 4.703 -2.281 1.902) 5.562 3.482 ( 0.136 9.585 1.457) 9.696 3.633 ( -4.214 -5.779 -3.191) 7.832 3.820 ( 3.659 -16.842 -0.229) 17.236 3.968 ( 0.226 1.176 -1.244) 1.727 4.341 ( 0.511 2.802 0.924) 2.995 4.811 ( 1.897 10.337 0.007) 10.509 4.920 ( -0.456 4.430 -0.008) 4.453 5.154 ( -0.696 -11.222 -2.843) 11.598 5.165 ( 1.541 1.598 0.130) 2.224 5.350 ( -0.242 -0.673 -1.400) 1.572 5.426 ( -0.720 -0.453 -0.244) 0.885 5.689 ( 0.415 -1.020 -1.298) 1.702 6.568 ( -0.166 7.598 -0.485) 7.616 7.066 ( 0.044 0.584 -0.304) 0.660 7.316 ( 0.380 -6.120 0.247) 6.137 7.479 ( -0.549 -2.988 0.478) 3.075 7.579 ( -0.839 -0.701 0.211) 1.113 7.630 ( 0.582 -1.386 0.321) 1.538 7.981 ( -0.100 -4.802 -0.577) 4.838 8.648 ( -0.178 4.666 0.515) 4.698 8.991 ( 3.190 6.582 -1.586) 7.484 9.247 ( -0.130 -0.480 -1.389) 1.475 9.320 ( -0.429 -0.928 0.655) 1.214 10.451 ( -0.723 -0.268 -0.622) 0.991 11.184 ( 7.073 7.004 -5.454) 11.350 12.079 ( -0.278 -1.526 -0.685) 1.695 12.124 ( 0.419 -2.846 1.439) 3.217 12.294 ( 0.075 -0.485 -0.137) 0.509 12.302 ( -0.002 -0.548 0.403) 0.680 15.922 ( -0.128 0.021 0.876) 0.886 16.005 ( 0.178 -0.861 1.729) 1.939 16.274 ( -1.153 0.791 0.643) 1.539 16.672 ( 4.211 1.073 -2.793) 5.166 18.265 ( -3.248 -0.657 -2.362) 4.069 18.352 ( -0.118 -2.554 -2.001) 3.247======================= Grid point 75 (28/150) =======================q-point: (-0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( -3.712 12.854 6.067) 14.690 0.717 ( -12.189 12.467 5.809) 18.378 1.385 ( 2.036 3.508 11.349) 12.052 1.517 ( -6.149 -0.988 5.300) 8.178 1.692 ( 0.021 30.582 4.573) 30.922 1.837 ( 2.320 -2.970 2.734) 4.656 2.197 ( 3.682 -0.475 1.223) 3.909 2.242 ( 2.776 0.243 1.612) 3.219 2.335 ( -0.174 -4.759 2.861) 5.556 2.576 ( 4.944 1.040 0.506) 5.077 2.607 ( -2.552 -7.376 -0.322) 7.812 2.778 ( -11.006 -1.582 -1.439) 11.212 3.239 ( 2.457 12.337 3.302) 13.006 3.380 ( -0.298 -5.903 -0.266) 5.917 3.720 ( -1.124 -6.433 -2.943) 7.163 3.950 ( 0.534 0.184 -1.464) 1.569 4.110 ( 2.335 -11.737 0.652) 11.985 4.282 ( 0.062 3.733 0.364) 3.752 4.646 ( 0.883 8.639 -0.423) 8.695 4.790 ( -0.442 9.066 -0.048) 9.077 5.102 ( -0.214 2.638 -0.268) 2.660 5.344 ( 0.046 0.997 -2.008) 2.242 5.401 ( 0.752 -12.741 -2.414) 12.989 5.442 ( -0.006 -1.832 0.726) 1.971 5.716 ( 0.536 -1.621 -1.150) 2.058 6.402 ( 0.343 10.435 -0.600) 10.458 7.052 ( -0.049 0.722 -0.124) 0.734 7.429 ( 1.219 -5.380 0.084) 5.517 7.511 ( -2.100 -1.151 0.542) 2.455 7.609 ( 0.025 -3.125 0.202) 3.131 7.666 ( 0.499 -1.535 -0.483) 1.685 8.100 ( -0.003 -8.343 -0.397) 8.352 8.548 ( -0.114 5.788 0.675) 5.829 8.860 ( 4.892 11.421 -6.666) 14.100 9.231 ( -0.065 2.029 -0.676) 2.140 9.327 ( -0.987 -0.316 -0.067) 1.038 10.463 ( -0.487 -1.525 -0.054) 1.602 11.044 ( 13.413 16.780 -13.547) 25.397 12.091 ( -0.407 -0.688 -0.314) 0.859 12.209 ( 0.237 -5.036 1.587) 5.286 12.306 ( 0.132 -0.692 -0.324) 0.775 12.321 ( -0.371 -2.008 0.928) 2.243 15.923 ( -0.118 -0.124 0.866) 0.883 16.030 ( 0.504 -1.416 1.988) 2.492 16.250 ( -1.163 0.938 0.600) 1.610 16.665 ( 6.969 4.067 -4.542) 9.260 18.248 ( -6.300 -1.413 -3.170) 7.192 18.409 ( -0.355 -3.922 -2.502) 4.665======================= Grid point 76 (29/150) =======================q-point: (-0.12 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( -10.679 11.679 5.311) 16.693 0.502 ( -3.546 7.918 15.416) 17.690 0.910 ( -3.467 40.610 5.815) 41.171 1.398 ( 2.940 2.029 9.702) 10.339 1.619 ( -3.643 -4.083 12.193) 13.364 1.876 ( 0.396 -0.507 1.396) 1.537 2.168 ( -2.046 3.193 -2.530) 4.559 2.192 ( 4.713 4.992 1.399) 7.006 2.514 ( -1.854 -10.192 0.844) 10.393 2.620 ( 7.046 -1.072 0.587) 7.151 2.701 ( -0.287 -2.999 0.260) 3.024 2.741 ( -7.828 -1.574 -1.003) 8.047 3.004 ( -0.767 13.159 3.239) 13.574 3.512 ( 1.015 -6.803 0.957) 6.944 3.823 ( 0.441 -5.007 -2.903) 5.804 3.970 ( -0.532 -2.784 -0.197) 2.841 4.214 ( 0.537 3.613 0.120) 3.654 4.256 ( 0.459 -2.804 0.214) 2.850 4.547 ( 0.624 2.376 -0.703) 2.555 4.638 ( -0.324 6.493 0.075) 6.502 5.064 ( -0.620 1.398 -0.150) 1.537 5.322 ( 0.301 1.031 -1.952) 2.228 5.458 ( -0.560 -1.164 0.089) 1.294 5.614 ( 1.217 -8.467 -2.477) 8.905 5.742 ( 0.584 -0.318 -1.813) 1.932 6.218 ( 0.822 9.967 -1.131) 10.065 7.043 ( 0.060 0.216 0.154) 0.272 7.492 ( 0.737 0.015 0.332) 0.809 7.533 ( 0.393 -2.691 -1.547) 3.129 7.657 ( -0.836 -1.625 -0.257) 1.846 7.670 ( -0.443 1.369 -1.387) 1.998 8.252 ( 1.427 -6.871 -0.675) 7.050 8.456 ( 0.523 7.336 -3.162) 8.005 8.549 ( 2.547 29.763 -21.418) 36.756 9.186 ( -0.184 2.352 -0.086) 2.361 9.322 ( -0.582 -0.012 -0.862) 1.040 10.453 ( -7.023 7.185 -8.197) 12.967 10.711 ( 25.573 30.064 -17.319) 43.102 12.102 ( -0.288 -0.788 0.314) 0.896 12.273 ( 0.366 -1.708 0.708) 1.885 12.317 ( 0.178 -0.440 -0.369) 0.601 12.388 ( -3.049 -6.358 1.832) 7.286 15.926 ( -0.145 -0.225 0.946) 0.983 16.071 ( 1.114 -2.716 3.266) 4.391 16.226 ( -0.915 0.858 0.105) 1.259 16.584 ( 7.408 12.183 -9.227) 16.984 18.214 ( -6.529 -0.449 -2.805) 7.120 18.469 ( 0.440 -2.804 -2.639) 3.876======================= Grid point 78 (30/150) =======================q-point: ( 0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.315 ( 8.855 -0.000 7.914) 11.876 0.488 ( 19.941 -0.000 8.684) 21.750 0.649 ( 10.030 -0.000 17.475) 20.149 1.411 ( -4.404 0.000 14.211) 14.877 1.716 ( -1.480 0.000 11.336) 11.432 1.824 ( -4.414 0.000 -0.016) 4.414 2.003 ( -3.370 0.000 0.477) 3.403 2.174 ( 2.563 -0.000 0.010) 2.563 2.613 ( -5.197 0.000 -5.485) 7.556 2.658 ( 4.038 -0.000 0.675) 4.094 2.725 ( -0.741 0.000 0.117) 0.751 2.730 ( 0.745 -0.000 2.965) 3.058 3.046 ( 13.413 -0.000 0.856) 13.440 3.571 ( -0.838 0.000 0.459) 0.955 3.835 ( -3.369 0.000 -3.828) 5.100 3.960 ( -1.969 0.000 -0.319) 1.995 4.208 ( 1.001 -0.000 0.214) 1.024 4.276 ( 0.771 -0.000 0.263) 0.814 4.557 ( 0.643 -0.000 -0.227) 0.682 4.571 ( -0.444 0.000 -0.113) 0.458 5.040 ( -0.338 0.000 -0.248) 0.419 5.308 ( -1.721 0.000 -2.869) 3.346 5.516 ( -1.852 0.000 1.380) 2.310 5.529 ( 0.119 -0.000 -0.197) 0.231 5.704 ( -0.470 0.000 -1.984) 2.039 6.106 ( -1.211 0.000 -0.953) 1.540 7.053 ( 0.374 -0.000 0.620) 0.724 7.215 ( 0.275 -0.000 -0.422) 0.504 7.492 ( 0.036 -0.000 0.409) 0.411 7.634 ( 0.473 -0.000 0.411) 0.627 7.676 ( 0.908 -0.000 -2.958) 3.094 7.808 ( -0.319 0.000 -0.308) 0.443 8.350 ( 0.011 -0.000 0.544) 0.544 8.442 ( -0.145 0.000 0.729) 0.744 9.166 ( 0.223 -0.000 0.299) 0.373 9.325 ( 1.011 -0.000 -1.150) 1.531 10.041 ( 0.149 -0.000 0.230) 0.274 10.937 ( 5.675 -0.000 -9.100) 10.724 12.114 ( 0.530 -0.000 0.473) 0.710 12.270 ( -2.853 0.000 1.079) 3.050 12.314 ( -0.175 0.000 -0.599) 0.624 12.365 ( -1.008 0.000 1.954) 2.199 15.932 ( 0.049 -0.000 1.147) 1.148 16.137 ( -5.567 0.000 2.536) 6.117 16.198 ( 0.230 -0.000 -1.166) 1.189 16.322 ( -0.328 0.000 1.928) 1.956 18.458 ( 3.118 -0.000 -6.643) 7.338 18.680 ( 20.785 -0.000 -12.668) 24.342======================= Grid point 79 (31/150) =======================q-point: ( 0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( 10.618 -7.057 5.821) 14.015 0.649 ( 11.396 -4.645 11.363) 16.750 1.025 ( 7.314 -32.400 4.098) 33.468 1.363 ( -5.650 -0.583 15.718) 16.712 1.693 ( 3.315 3.453 9.915) 11.010 1.813 ( -4.628 -0.423 0.137) 4.650 2.041 ( -4.869 -5.415 -0.149) 7.284 2.209 ( -0.418 -1.517 0.800) 1.765 2.438 ( -2.588 6.053 -1.125) 6.678 2.597 ( -2.674 7.630 1.184) 8.171 2.755 ( 3.117 0.198 0.726) 3.206 2.885 ( 2.383 -7.349 0.107) 7.727 3.048 ( 7.593 1.877 2.527) 8.220 3.526 ( -1.271 5.905 0.711) 6.082 3.801 ( -1.587 0.331 -2.815) 3.248 3.940 ( -0.251 1.511 -1.188) 1.939 4.204 ( -0.373 -0.513 0.332) 0.716 4.275 ( -0.066 2.673 0.376) 2.700 4.545 ( -1.001 -0.850 -0.594) 1.441 4.640 ( 0.310 -7.494 0.132) 7.502 5.037 ( -0.841 -0.077 -0.897) 1.232 5.316 ( -0.175 -2.408 -2.053) 3.169 5.451 ( 0.509 2.441 -0.511) 2.545 5.586 ( -1.921 4.281 -1.652) 4.974 5.716 ( -0.988 -1.136 -1.771) 2.324 6.199 ( -1.278 -10.403 -0.799) 10.511 7.056 ( 0.785 0.146 0.264) 0.841 7.425 ( -3.024 -4.872 -1.566) 5.944 7.521 ( 0.126 -1.003 -0.261) 1.044 7.624 ( -1.346 1.960 -1.467) 2.794 7.661 ( -0.081 0.320 -1.165) 1.211 8.161 ( -10.514 -34.923 -10.832) 38.046 8.271 ( 0.326 7.195 -0.124) 7.203 8.468 ( -0.222 -3.057 0.771) 3.160 9.186 ( 0.029 -1.941 -0.032) 1.942 9.328 ( 1.274 0.472 -0.943) 1.654 10.257 ( -3.271 -18.934 -2.898) 19.431 10.909 ( -3.871 1.677 -7.027) 8.196 12.112 ( 0.762 0.737 0.335) 1.112 12.237 ( -1.474 2.023 0.974) 2.686 12.307 ( -0.260 0.509 -0.601) 0.829 12.348 ( -0.144 1.425 1.065) 1.785 15.929 ( 0.134 0.341 1.109) 1.168 16.066 ( -2.172 2.425 2.375) 4.030 16.221 ( 0.700 -1.891 -0.540) 2.087 16.446 ( -5.861 -9.753 -1.773) 11.516 18.424 ( 2.221 4.149 -4.339) 6.401 18.657 ( 13.076 10.990 -5.585) 17.970======================= Grid point 80 (32/150) =======================q-point: ( 0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( 4.139 -5.571 5.729) 8.999 0.890 ( 12.264 -9.281 3.548) 15.784 1.339 ( -3.856 -3.795 15.022) 15.967 1.584 ( -0.162 -1.946 3.802) 4.274 1.744 ( -3.580 -13.864 1.008) 14.354 1.791 ( 1.399 -7.978 5.923) 10.034 2.083 ( -2.088 -2.637 1.909) 3.868 2.221 ( -1.025 2.700 2.174) 3.615 2.338 ( -2.001 3.068 0.725) 3.734 2.473 ( -3.627 0.375 -1.703) 4.024 2.728 ( 4.817 5.756 2.874) 8.037 2.977 ( 6.588 -0.974 1.373) 6.799 3.114 ( -1.127 -3.015 -1.210) 3.439 3.409 ( -1.436 3.283 0.928) 3.701 3.808 ( 2.977 -0.415 -1.539) 3.376 3.880 ( -1.180 5.207 -1.147) 5.461 4.137 ( -1.835 9.320 1.129) 9.566 4.250 ( -1.090 -3.644 -0.180) 3.808 4.603 ( -1.742 -6.536 -1.528) 6.935 4.805 ( 0.475 -9.301 0.218) 9.315 5.038 ( -1.094 -1.444 -1.521) 2.366 5.336 ( 0.637 4.917 -2.088) 5.380 5.386 ( -0.431 1.304 -1.104) 1.762 5.498 ( 0.605 3.272 0.477) 3.361 5.705 ( -0.426 0.952 -1.394) 1.741 6.393 ( -0.263 -11.133 -0.522) 11.148 7.059 ( 0.479 -0.101 -0.114) 0.502 7.427 ( -0.090 3.100 0.502) 3.142 7.490 ( 1.604 3.690 -1.159) 4.187 7.580 ( -0.766 1.251 -0.018) 1.467 7.648 ( -1.242 0.489 -0.833) 1.573 8.111 ( 0.426 8.715 -0.125) 8.726 8.546 ( -0.035 -5.499 0.609) 5.532 8.617 ( -7.703 -23.204 -7.090) 25.457 9.225 ( -0.310 -2.296 -0.553) 2.382 9.320 ( 1.218 1.439 -0.530) 1.958 10.494 ( 2.096 -5.339 -0.332) 5.745 10.902 ( -11.002 -10.358 -7.095) 16.694 12.101 ( 0.782 1.119 -0.117) 1.370 12.176 ( -0.834 3.774 1.075) 4.011 12.295 ( -0.209 0.454 -0.303) 0.585 12.322 ( -0.191 1.218 0.590) 1.367 15.927 ( 0.142 0.157 1.061) 1.082 16.022 ( -1.406 1.459 1.716) 2.655 16.267 ( 1.615 -1.917 0.250) 2.519 16.537 ( -5.879 -6.039 -2.555) 8.807 18.360 ( 1.609 3.868 -2.503) 4.880 18.534 ( 7.063 9.939 -2.443) 12.436======================= Grid point 81 (33/150) =======================q-point: ( 0.50 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( 3.154 -7.838 0.264) 8.453 1.143 ( 6.138 -10.844 2.947) 12.805 1.395 ( -1.234 -0.172 13.548) 13.605 1.500 ( -3.337 4.007 7.165) 8.862 1.712 ( 0.708 3.267 3.708) 4.992 1.922 ( -7.022 6.600 2.062) 9.855 2.098 ( -3.762 0.077 -0.343) 3.778 2.281 ( 3.734 -11.704 1.971) 12.443 2.352 ( -0.344 -0.333 1.227) 1.317 2.521 ( -1.017 -6.565 -0.468) 6.659 2.649 ( 2.013 5.827 3.716) 7.198 3.087 ( 3.256 -9.569 0.062) 10.107 3.098 ( 2.547 2.827 -0.600) 3.852 3.425 ( -3.442 -4.975 -0.420) 6.064 3.687 ( -3.140 14.920 -1.311) 15.303 3.825 ( 6.788 3.742 1.142) 7.835 3.992 ( -3.723 2.987 -1.130) 4.905 4.321 ( 0.284 -3.934 0.786) 4.022 4.732 ( -1.960 -9.502 -2.144) 9.936 4.931 ( 0.170 -3.702 0.304) 3.718 5.090 ( 0.049 -4.958 -1.478) 5.174 5.178 ( 0.026 9.371 -1.651) 9.516 5.387 ( 0.135 0.958 -0.315) 1.017 5.463 ( 0.798 1.872 -0.007) 2.035 5.685 ( -0.088 0.719 -1.390) 1.567 6.568 ( 0.297 -7.896 -0.476) 7.916 7.066 ( 0.257 -0.276 -0.405) 0.553 7.321 ( -0.333 6.628 0.408) 6.648 7.454 ( 1.363 1.885 -0.497) 2.379 7.564 ( 0.084 0.232 -0.321) 0.404 7.632 ( -0.647 0.520 0.568) 1.006 7.986 ( 0.284 5.153 -0.463) 5.182 8.644 ( 0.074 -4.723 0.328) 4.735 8.894 ( -3.065 -13.190 -2.375) 13.748 9.252 ( 0.111 -0.491 -1.158) 1.263 9.298 ( 0.754 1.234 0.181) 1.458 10.503 ( 1.345 2.814 -0.079) 3.120 11.071 ( -5.708 -13.009 -4.540) 14.914 12.077 ( 0.381 2.245 -0.325) 2.300 12.118 ( -0.250 1.596 1.120) 1.966 12.288 ( -0.032 0.161 -0.133) 0.211 12.305 ( -0.182 0.657 0.364) 0.773 15.926 ( 0.012 0.134 0.999) 1.008 15.998 ( -0.747 0.542 1.616) 1.861 16.296 ( 0.999 -0.026 0.666) 1.201 16.596 ( -2.781 -4.761 -2.569) 6.083 18.307 ( 0.346 2.699 -1.799) 3.262 18.416 ( 3.105 6.737 -1.833) 7.642======================= Grid point 82 (34/150) =======================q-point: (-0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -0.469 1.027 -1.565) 1.930 1.243 ( -2.161 12.370 4.402) 13.306 1.333 ( -0.012 -5.913 5.692) 8.208 1.494 ( -3.162 0.155 11.820) 12.236 1.660 ( 1.256 1.518 7.512) 7.766 1.865 ( 1.815 -6.771 1.082) 7.093 2.146 ( -3.064 -6.426 -0.970) 7.185 2.298 ( -1.917 5.084 0.831) 5.496 2.395 ( 5.128 -0.131 1.695) 5.403 2.562 ( -3.767 2.641 3.402) 5.722 2.614 ( 0.136 -2.108 0.466) 2.163 3.069 ( 5.184 8.117 -0.414) 9.640 3.253 ( -3.861 2.943 -0.152) 4.857 3.476 ( 0.325 -5.737 -0.662) 5.784 3.497 ( -2.956 -6.767 -1.505) 7.536 3.750 ( 3.410 7.464 1.958) 8.436 3.965 ( -0.942 -0.971 -1.952) 2.375 4.370 ( 0.507 -0.538 0.949) 1.203 4.912 ( -0.945 -12.023 -2.354) 12.288 4.957 ( 0.135 -0.050 0.415) 0.440 5.002 ( 0.724 9.880 -0.858) 9.943 5.187 ( 0.297 -3.112 -1.620) 3.521 5.353 ( -0.015 1.920 -0.228) 1.933 5.434 ( 0.099 1.529 -0.351) 1.572 5.679 ( 0.167 -0.163 -1.376) 1.396 6.644 ( 0.034 0.275 -0.603) 0.664 7.071 ( 0.331 -0.064 -0.459) 0.570 7.251 ( -0.114 -0.112 0.522) 0.546 7.444 ( 0.124 -0.436 -0.098) 0.464 7.566 ( -0.079 -0.181 -0.440) 0.482 7.622 ( -0.187 0.075 1.119) 1.137 7.939 ( 0.109 0.196 -0.564) 0.607 8.691 ( -0.057 -0.064 0.248) 0.262 9.034 ( -0.605 -3.635 -0.452) 3.712 9.240 ( 0.838 0.808 -2.029) 2.340 9.303 ( -0.135 -0.854 0.665) 1.091 10.463 ( 0.065 1.809 -0.414) 1.857 11.216 ( 0.274 -5.305 -3.424) 6.320 12.054 ( 0.089 -0.182 0.098) 0.225 12.108 ( 0.180 -0.005 0.403) 0.442 12.288 ( 0.021 -0.166 -0.075) 0.183 12.298 ( -0.065 0.022 0.311) 0.319 15.924 ( -0.115 0.163 0.906) 0.928 15.995 ( -0.230 -0.410 1.699) 1.763 16.287 ( -0.212 1.152 0.763) 1.398 16.661 ( 0.582 -3.466 -2.743) 4.458 18.264 ( -0.676 1.832 -1.539) 2.486 18.348 ( 0.990 2.079 -1.679) 2.850======================= Grid point 83 (35/150) =======================q-point: (-0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( -4.677 10.923 4.958) 12.875 0.970 ( -1.642 17.248 0.822) 17.345 1.407 ( -0.715 -4.561 9.609) 10.660 1.458 ( -2.375 2.482 9.353) 9.964 1.760 ( 1.287 -7.313 3.446) 8.186 2.073 ( 2.566 -11.184 3.433) 11.978 2.134 ( -0.659 12.586 1.392) 12.680 2.238 ( -0.147 -2.040 0.217) 2.056 2.426 ( 3.205 2.458 1.351) 4.259 2.490 ( -3.335 0.836 2.882) 4.486 2.624 ( 1.339 0.514 0.284) 1.462 2.774 ( -3.551 14.171 -1.044) 14.646 3.269 ( 0.265 -5.351 0.397) 5.372 3.479 ( -0.318 10.740 1.367) 10.831 3.592 ( -0.286 -6.299 -1.971) 6.607 3.843 ( -0.369 -13.817 -2.401) 14.028 3.986 ( 2.258 -1.563 1.045) 2.939 4.345 ( -0.336 3.074 0.413) 3.120 4.822 ( -0.203 10.298 -0.939) 10.343 4.916 ( 0.040 4.489 0.229) 4.495 5.135 ( -1.027 -6.759 -3.182) 7.541 5.183 ( 0.862 -3.269 -0.538) 3.424 5.352 ( 0.721 -0.712 -0.632) 1.194 5.421 ( 0.102 -0.337 0.202) 0.406 5.691 ( 0.288 -1.170 -1.250) 1.736 6.565 ( -0.047 7.483 -0.608) 7.507 7.066 ( 0.054 0.728 -0.321) 0.798 7.321 ( 0.211 -6.414 0.432) 6.432 7.467 ( -1.121 -1.983 -0.084) 2.279 7.571 ( -0.330 -1.085 -0.013) 1.134 7.636 ( 0.250 -1.518 0.392) 1.588 7.979 ( 0.041 -4.693 -0.516) 4.722 8.646 ( -0.211 4.666 0.481) 4.696 9.011 ( 0.231 5.121 -2.485) 5.697 9.248 ( 0.635 -0.427 -1.791) 1.948 9.311 ( -0.934 -0.402 0.444) 1.110 10.447 ( 0.297 -0.083 0.081) 0.319 11.248 ( 3.179 2.660 -6.651) 7.837 12.075 ( -0.025 -1.226 -0.990) 1.576 12.130 ( -0.028 -2.960 1.461) 3.301 12.294 ( -0.085 -0.468 -0.039) 0.478 12.303 ( 0.067 -0.569 0.304) 0.649 15.922 ( -0.093 0.020 0.883) 0.889 16.010 ( -0.061 -1.143 1.760) 2.099 16.263 ( -0.403 1.180 0.870) 1.521 16.710 ( 1.680 -1.164 -3.866) 4.373 18.229 ( -0.593 1.253 -1.168) 1.813 18.352 ( 0.383 -1.976 -1.760) 2.674======================= Grid point 84 (36/150) =======================q-point: (-0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.626 ( -1.392 14.324 7.934) 16.433 0.659 ( -0.435 12.632 5.872) 13.937 1.384 ( -3.527 6.022 7.888) 10.532 1.510 ( 1.964 -3.801 8.656) 9.656 1.704 ( 0.096 30.974 6.283) 31.605 1.858 ( -0.477 -2.422 2.506) 3.518 2.199 ( -2.732 3.051 -1.244) 4.280 2.264 ( -1.253 -3.898 1.119) 4.244 2.348 ( 1.262 -1.806 3.322) 3.986 2.590 ( 0.270 -7.066 0.460) 7.087 2.636 ( -5.453 -2.018 -0.389) 5.828 2.691 ( 8.044 -1.155 1.443) 8.253 3.234 ( -3.251 12.627 0.579) 13.051 3.395 ( 1.637 -6.272 1.327) 6.617 3.717 ( 1.634 -6.582 -2.111) 7.103 3.942 ( -1.142 -1.116 -2.168) 2.693 4.139 ( 1.316 -10.234 1.507) 10.427 4.279 ( -0.561 3.606 0.041) 3.650 4.646 ( -0.572 8.293 -1.141) 8.391 4.789 ( 0.298 9.279 0.221) 9.286 5.089 ( -1.340 2.349 -1.364) 3.028 5.340 ( -0.031 -0.646 -2.206) 2.298 5.399 ( -0.195 -7.486 -1.843) 7.712 5.458 ( 1.567 -4.904 1.071) 5.258 5.718 ( 0.081 -1.644 -1.194) 2.033 6.404 ( -0.023 10.116 -0.771) 10.145 7.052 ( 0.070 0.668 -0.087) 0.678 7.443 ( 0.280 -6.270 0.113) 6.278 7.483 ( -1.451 -0.984 -0.165) 1.761 7.605 ( -0.607 -2.632 -0.231) 2.711 7.668 ( -0.037 -1.369 -0.607) 1.498 8.101 ( 0.218 -8.599 -0.193) 8.604 8.547 ( -0.163 5.641 0.671) 5.683 8.855 ( -3.111 11.760 -9.589) 15.489 9.231 ( 0.208 2.407 -0.811) 2.549 9.314 ( -0.671 -0.558 -0.385) 0.954 10.462 ( 0.287 -0.366 0.247) 0.527 11.139 ( 2.766 11.232 -15.517) 19.355 12.089 ( 0.138 -0.666 -0.607) 0.912 12.206 ( -1.125 -4.863 1.711) 5.277 12.303 ( -0.340 -0.745 -0.118) 0.827 12.319 ( 0.004 -1.231 0.684) 1.408 15.923 ( -0.112 -0.098 0.882) 0.894 16.038 ( -0.070 -1.833 2.110) 2.796 16.241 ( -0.156 1.222 0.624) 1.381 16.705 ( -0.648 2.312 -6.543) 6.970 18.219 ( 3.579 0.275 -0.274) 3.600 18.410 ( 1.040 -3.868 -1.899) 4.432======================= Grid point 87 (37/150) =======================q-point: ( 0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.468 ( 9.774 -0.000 5.013) 10.984 0.688 ( 6.746 -0.000 14.888) 16.345 0.884 ( 14.476 -0.000 2.286) 14.656 1.371 ( -3.738 0.000 18.947) 19.313 1.759 ( 4.360 -0.000 10.340) 11.221 1.764 ( -3.799 0.000 0.591) 3.845 1.925 ( -6.600 0.000 -0.105) 6.601 2.224 ( 3.844 -0.000 -0.011) 3.844 2.505 ( -8.098 0.000 -4.421) 9.226 2.713 ( -0.769 0.000 0.062) 0.772 2.722 ( 4.162 -0.000 0.587) 4.203 2.748 ( 0.888 -0.000 3.926) 4.025 3.212 ( 9.917 -0.000 0.675) 9.940 3.559 ( -0.911 0.000 0.509) 1.044 3.760 ( -5.937 0.000 -3.801) 7.049 3.952 ( 0.523 -0.000 -1.548) 1.634 4.223 ( 1.006 -0.000 0.034) 1.006 4.288 ( 0.818 -0.000 0.164) 0.835 4.543 ( -2.602 0.000 -0.775) 2.715 4.564 ( -0.430 0.000 -0.079) 0.438 5.037 ( -0.120 0.000 -0.150) 0.193 5.281 ( -1.014 0.000 -2.734) 2.916 5.508 ( 0.215 -0.000 1.221) 1.240 5.530 ( 0.122 -0.000 -0.189) 0.225 5.691 ( -0.753 0.000 -2.127) 2.257 6.084 ( -1.452 0.000 -0.768) 1.643 7.066 ( 1.213 -0.000 0.399) 1.277 7.220 ( 0.385 -0.000 -0.379) 0.540 7.493 ( 0.027 -0.000 0.408) 0.409 7.628 ( -1.193 0.000 -0.807) 1.440 7.685 ( 1.290 -0.000 -1.489) 1.970 7.803 ( -0.254 0.000 -0.262) 0.365 8.351 ( 0.092 -0.000 0.571) 0.578 8.440 ( -0.229 0.000 0.680) 0.718 9.169 ( 0.197 -0.000 0.267) 0.332 9.342 ( 1.691 -0.000 -1.047) 1.989 10.044 ( 0.130 -0.000 0.264) 0.295 10.922 ( -3.311 0.000 -5.044) 6.034 12.126 ( 0.785 -0.000 0.634) 1.008 12.246 ( -0.792 0.000 0.520) 0.947 12.309 ( -0.368 0.000 -0.817) 0.895 12.362 ( -0.320 0.000 1.024) 1.073 15.936 ( 0.223 -0.000 1.153) 1.174 16.075 ( -3.867 0.000 2.284) 4.491 16.203 ( 0.756 -0.000 -1.165) 1.389 16.317 ( -0.873 0.000 1.920) 2.109 18.466 ( 0.684 -0.000 -4.704) 4.754 18.852 ( 8.032 -0.000 -11.311) 13.873======================= Grid point 88 (38/150) =======================q-point: ( 0.38 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( 4.925 -2.634 7.556) 9.396 0.842 ( 10.005 -11.153 5.244) 15.874 1.106 ( 1.636 -23.907 2.615) 24.105 1.330 ( -2.949 1.691 16.474) 16.821 1.732 ( -2.905 2.426 1.892) 4.231 1.800 ( 5.048 0.352 8.181) 9.620 1.989 ( -1.666 -8.645 1.690) 8.965 2.207 ( -1.318 2.915 0.377) 3.221 2.382 ( -3.815 2.612 -2.176) 5.110 2.566 ( -2.105 10.218 1.448) 10.532 2.806 ( 3.596 -2.153 1.731) 4.535 2.891 ( -0.785 -8.270 0.163) 8.309 3.182 ( 9.440 6.190 1.638) 11.407 3.492 ( -3.672 6.164 -0.117) 7.175 3.768 ( -1.954 -4.027 -2.235) 5.003 3.939 ( 0.247 1.872 -1.296) 2.290 4.204 ( 0.221 0.849 0.180) 0.895 4.267 ( -1.107 4.406 -0.055) 4.543 4.518 ( -2.310 -1.444 -1.066) 2.925 4.645 ( 0.300 -8.087 0.166) 8.094 5.027 ( -0.277 0.562 -0.516) 0.812 5.310 ( -0.016 -3.371 -1.898) 3.869 5.464 ( 1.441 3.410 -0.811) 3.790 5.557 ( -1.792 2.609 -0.801) 3.265 5.701 ( -0.521 -1.190 -1.627) 2.082 6.182 ( -0.925 -10.945 -0.472) 10.994 7.069 ( 0.921 0.539 0.018) 1.067 7.395 ( -0.777 -8.455 -0.956) 8.545 7.526 ( 0.564 -2.098 0.169) 2.179 7.598 ( -1.529 1.760 -1.617) 2.837 7.661 ( 0.243 2.623 -0.546) 2.690 8.037 ( -5.076 -27.041 -4.341) 27.854 8.278 ( 0.631 7.254 0.116) 7.282 8.467 ( -0.150 -3.127 0.697) 3.207 9.186 ( 0.019 -1.639 0.038) 1.639 9.348 ( 1.638 0.642 -0.764) 1.918 10.222 ( -1.288 -17.952 -1.401) 18.053 10.828 ( -5.312 5.406 -3.796) 8.476 12.124 ( 0.713 0.757 0.609) 1.205 12.227 ( -0.256 2.000 0.351) 2.047 12.301 ( -0.313 0.414 -0.562) 0.765 12.346 ( -0.395 1.375 0.864) 1.671 15.935 ( 0.271 0.386 1.105) 1.201 16.037 ( -2.259 1.338 1.847) 3.210 16.235 ( 1.401 -2.561 -0.729) 3.008 16.380 ( -3.560 -6.323 0.339) 7.264 18.433 ( 0.727 3.311 -3.724) 5.035 18.778 ( 5.853 10.513 -6.950) 13.896======================= Grid point 89 (39/150) =======================q-point: ( 0.50 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( 3.099 -4.631 2.593) 6.146 1.046 ( 7.709 -6.938 4.230) 11.201 1.310 ( -4.660 -3.770 16.986) 18.013 1.585 ( 0.225 -8.117 2.179) 8.407 1.667 ( -5.620 -5.908 0.234) 8.157 1.845 ( 2.748 -2.527 6.342) 7.359 2.089 ( 0.751 -4.813 2.653) 5.547 2.195 ( -2.962 2.592 1.037) 4.070 2.338 ( 2.175 -0.117 1.102) 2.441 2.413 ( -4.168 0.084 -1.207) 4.340 2.801 ( 4.019 6.276 3.379) 8.182 2.977 ( -3.289 -3.662 -1.404) 5.119 3.186 ( 8.283 1.499 0.946) 8.471 3.371 ( -4.389 2.334 0.288) 4.980 3.819 ( -0.080 -0.596 -3.296) 3.350 3.886 ( 1.269 3.381 1.097) 3.774 4.106 ( -2.419 10.368 -0.369) 10.653 4.239 ( -0.261 -4.251 0.379) 4.275 4.578 ( -1.060 -6.336 -1.289) 6.552 4.811 ( 0.243 -9.167 0.106) 9.171 5.029 ( 0.130 -1.343 -0.562) 1.462 5.345 ( 1.153 6.645 -1.871) 6.999 5.376 ( -0.634 0.027 -1.217) 1.372 5.501 ( -0.189 2.021 0.038) 2.030 5.697 ( -0.159 0.735 -1.402) 1.591 6.390 ( 0.011 -11.704 -0.308) 11.708 7.065 ( 0.315 0.188 -0.289) 0.467 7.427 ( -0.276 3.927 0.129) 3.939 7.523 ( 3.248 3.159 -0.843) 4.609 7.574 ( -0.011 0.793 0.578) 0.982 7.624 ( -1.837 -0.221 -0.573) 1.937 8.115 ( 0.162 8.517 -0.230) 8.522 8.522 ( -3.393 -25.558 -4.178) 26.119 8.548 ( 0.077 -5.597 0.621) 5.632 9.221 ( -0.003 -2.131 -0.143) 2.136 9.338 ( 1.274 1.663 -0.277) 2.113 10.533 ( 3.715 -8.221 -1.386) 9.127 10.740 ( -9.721 -8.928 -4.035) 13.802 12.112 ( 0.613 1.194 0.200) 1.357 12.170 ( -0.303 3.851 0.879) 3.962 12.292 ( 0.003 0.319 -0.272) 0.419 12.319 ( -0.348 1.166 0.576) 1.346 15.931 ( 0.103 0.274 1.017) 1.058 16.006 ( -1.161 0.912 1.599) 2.177 16.293 ( 1.804 -1.811 0.030) 2.556 16.464 ( -3.688 -6.508 -1.100) 7.561 18.368 ( 0.543 3.831 -2.516) 4.616 18.602 ( 3.175 11.307 -4.204) 12.474======================= Grid point 90 (40/150) =======================q-point: ( 0.62 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.944 ( 2.354 -6.626 -0.691) 7.066 1.214 ( 2.376 -7.244 3.972) 8.596 1.407 ( -1.901 -5.803 16.406) 17.506 1.465 ( -1.988 9.611 4.586) 10.833 1.753 ( 3.375 -0.765 2.026) 4.010 1.821 ( -7.086 5.880 3.380) 9.809 2.065 ( -0.634 1.887 0.115) 1.994 2.306 ( -0.428 -12.562 0.513) 12.580 2.358 ( -0.153 1.903 0.115) 1.912 2.515 ( 0.512 -8.257 0.887) 8.320 2.669 ( -0.205 8.976 3.249) 9.548 3.067 ( 0.008 -10.065 -0.946) 10.109 3.201 ( 4.578 2.479 1.264) 5.357 3.371 ( -2.715 -4.942 -0.576) 5.668 3.658 ( -0.588 15.520 -0.530) 15.540 3.909 ( 2.910 6.081 0.519) 6.761 3.925 ( -3.217 -0.403 -2.104) 3.865 4.326 ( 0.038 -4.389 0.784) 4.459 4.714 ( 0.140 -9.406 -1.370) 9.506 4.932 ( -0.024 -3.622 0.225) 3.629 5.094 ( 0.834 -5.720 -0.670) 5.819 5.177 ( 0.188 9.920 -1.554) 10.043 5.384 ( -0.373 0.815 -0.777) 1.186 5.467 ( -0.096 1.863 -0.536) 1.941 5.682 ( 0.084 0.590 -1.409) 1.530 6.571 ( 0.243 -7.877 -0.356) 7.889 7.069 ( 0.218 -0.322 -0.439) 0.587 7.315 ( -0.453 6.442 0.181) 6.461 7.474 ( 1.113 3.267 -0.067) 3.452 7.570 ( 1.024 0.256 -0.370) 1.118 7.622 ( -0.872 -0.095 0.934) 1.281 7.988 ( 0.120 5.259 -0.517) 5.285 8.647 ( 0.104 -4.643 0.377) 4.659 8.862 ( -0.515 -14.454 -1.653) 14.557 9.254 ( 0.306 -0.970 -0.457) 1.115 9.310 ( 0.742 1.888 0.239) 2.042 10.513 ( -0.031 3.867 -1.004) 3.995 11.006 ( -1.851 -16.912 -3.378) 17.345 12.082 ( 0.337 2.674 0.023) 2.695 12.118 ( -0.192 1.195 0.922) 1.522 12.288 ( 0.100 0.155 -0.135) 0.229 12.303 ( -0.194 0.558 0.381) 0.703 15.927 ( -0.165 0.235 0.913) 0.957 15.992 ( -0.396 0.172 1.652) 1.707 16.308 ( 0.314 0.790 0.506) 0.989 16.566 ( -0.620 -6.510 -1.912) 6.813 18.306 ( 0.213 3.104 -1.747) 3.569 18.439 ( 0.664 7.588 -2.864) 8.137======================= Grid point 91 (41/150) =======================q-point: (-0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -0.310 4.740 -1.222) 4.905 1.248 ( 1.562 13.282 3.567) 13.841 1.336 ( -1.424 -4.716 6.902) 8.480 1.487 ( -1.310 -0.110 13.110) 13.176 1.667 ( -2.177 0.022 5.283) 5.714 1.880 ( -0.728 -9.876 1.166) 9.971 2.126 ( 1.071 -6.647 -0.101) 6.734 2.283 ( -0.507 5.533 0.733) 5.604 2.449 ( 0.178 -4.071 -0.023) 4.075 2.517 ( -1.271 6.041 4.318) 7.534 2.616 ( -0.045 -1.793 0.580) 1.885 3.138 ( 0.008 15.151 -0.581) 15.162 3.195 ( 0.118 -0.941 0.122) 0.956 3.479 ( 0.785 -4.972 -0.489) 5.057 3.486 ( 1.199 -8.883 -0.327) 8.969 3.750 ( -3.308 7.029 -0.728) 7.802 3.977 ( 2.330 -1.652 -0.066) 2.857 4.368 ( -0.863 -0.352 0.348) 0.995 4.908 ( 1.029 -10.927 -1.712) 11.108 4.960 ( 0.110 -0.520 0.436) 0.687 4.999 ( -0.698 9.387 -1.536) 9.538 5.192 ( 0.611 -2.436 -1.269) 2.814 5.351 ( -0.103 1.271 -0.351) 1.323 5.434 ( 0.002 1.428 -0.388) 1.479 5.679 ( 0.222 -0.268 -1.350) 1.394 6.643 ( 0.111 0.473 -0.583) 0.759 7.074 ( 0.116 0.053 -0.455) 0.473 7.249 ( -0.273 -0.430 0.415) 0.657 7.444 ( -0.081 0.347 -0.118) 0.375 7.567 ( 0.306 0.575 -0.433) 0.782 7.622 ( -0.186 -0.432 1.212) 1.300 7.939 ( 0.051 0.224 -0.586) 0.629 8.691 ( -0.024 0.096 0.259) 0.277 9.027 ( -0.021 -4.069 -0.549) 4.106 9.246 ( 0.441 0.945 -1.991) 2.248 9.303 ( -0.139 -0.241 0.742) 0.793 10.462 ( 0.017 1.523 -0.451) 1.589 11.214 ( 0.490 -6.924 -3.409) 7.734 12.055 ( -0.006 -0.012 0.112) 0.113 12.110 ( -0.104 -0.104 0.347) 0.377 12.288 ( 0.005 -0.101 -0.069) 0.123 12.298 ( -0.034 -0.084 0.308) 0.321 15.924 ( -0.155 0.116 0.883) 0.904 15.995 ( -0.235 -0.516 1.707) 1.798 16.287 ( -0.048 1.369 0.821) 1.597 16.662 ( 0.315 -4.185 -2.827) 5.060 18.261 ( 0.693 2.065 -1.122) 2.450 18.350 ( -0.183 2.132 -2.043) 2.958======================= Grid point 92 (42/150) =======================q-point: (-0.12 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( 0.238 10.573 4.296) 11.415 0.979 ( 2.592 18.035 1.155) 18.257 1.397 ( -2.517 -2.145 10.423) 10.935 1.476 ( 1.078 -0.000 9.391) 9.453 1.764 ( -1.851 -7.354 3.149) 8.211 2.068 ( -3.641 -12.089 2.377) 12.847 2.151 ( 2.505 12.280 2.943) 12.874 2.221 ( -2.363 0.485 -0.463) 2.457 2.430 ( -4.187 2.279 0.853) 4.843 2.485 ( 3.087 0.280 2.808) 4.182 2.612 ( -1.567 1.118 -0.013) 1.925 2.819 ( 7.846 12.522 1.280) 14.833 3.232 ( -4.489 -4.310 -1.629) 6.433 3.479 ( -0.556 9.485 1.123) 9.567 3.625 ( 5.072 -6.330 -0.151) 8.113 3.808 ( -3.228 -12.817 -3.073) 13.570 4.020 ( 1.550 -2.725 1.707) 3.570 4.334 ( -1.037 2.948 0.019) 3.125 4.804 ( -1.744 10.059 -1.855) 10.376 4.921 ( 0.361 4.311 0.404) 4.345 5.114 ( -0.921 -2.514 -2.975) 4.003 5.188 ( 0.087 -5.776 -1.220) 5.904 5.366 ( 1.168 -1.114 -0.073) 1.616 5.429 ( 0.924 -0.752 0.502) 1.293 5.692 ( 0.112 -1.128 -1.252) 1.689 6.564 ( 0.083 7.556 -0.638) 7.583 7.065 ( -0.031 0.719 -0.350) 0.800 7.323 ( -0.002 -6.738 0.506) 6.757 7.450 ( -0.908 -1.152 -0.666) 1.611 7.568 ( -0.142 -0.960 -0.115) 0.978 7.639 ( 0.011 -1.395 0.396) 1.450 7.980 ( 0.199 -4.776 -0.461) 4.802 8.644 ( -0.153 4.712 0.403) 4.731 8.992 ( -1.930 6.594 -3.013) 7.503 9.253 ( 0.483 -0.581 -2.140) 2.270 9.299 ( -0.843 0.061 0.430) 0.949 10.459 ( 1.157 -0.530 0.512) 1.372 11.242 ( -2.138 2.876 -6.865) 7.744 12.074 ( 0.066 -1.309 -1.057) 1.684 12.128 ( -0.607 -2.608 1.445) 3.043 12.292 ( -0.147 -0.358 -0.041) 0.389 12.305 ( 0.057 -0.651 0.296) 0.718 15.923 ( -0.081 0.013 0.920) 0.924 16.010 ( -0.422 -1.218 1.738) 2.164 16.266 ( 0.484 1.213 0.961) 1.622 16.699 ( -1.905 -0.645 -4.173) 4.633 18.249 ( 3.201 0.308 -0.543) 3.261 18.355 ( 0.579 -2.482 -1.620) 3.020======================= Grid point 96 (43/150) =======================q-point: ( 0.38 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( 5.602 -0.000 2.805) 6.265 0.782 ( 2.667 -0.000 10.190) 10.533 0.968 ( -1.971 0.000 5.028) 5.400 1.416 ( 3.105 -0.000 15.373) 15.683 1.724 ( -1.841 0.000 1.382) 2.302 1.840 ( -4.461 0.000 0.471) 4.486 1.865 ( 6.012 -0.000 10.242) 11.876 2.269 ( 2.218 -0.000 -0.703) 2.327 2.382 ( -6.879 0.000 -2.930) 7.477 2.704 ( -0.475 0.000 0.427) 0.639 2.769 ( 2.038 -0.000 -0.291) 2.058 2.769 ( 0.770 -0.000 4.207) 4.277 3.336 ( 6.804 -0.000 0.834) 6.855 3.550 ( -0.483 0.000 0.710) 0.859 3.662 ( -5.866 0.000 -3.444) 6.802 3.960 ( 0.917 -0.000 -1.910) 2.119 4.233 ( 0.232 -0.000 -0.784) 0.817 4.297 ( 0.302 -0.000 -0.208) 0.366 4.493 ( -3.220 0.000 -1.215) 3.441 4.560 ( -0.121 0.000 0.137) 0.183 5.037 ( 0.250 -0.000 0.243) 0.349 5.270 ( 0.161 -0.000 -2.170) 2.176 5.518 ( 0.552 -0.000 0.582) 0.802 5.531 ( 0.058 -0.000 -0.216) 0.223 5.678 ( -0.298 0.000 -1.923) 1.946 6.067 ( -0.710 0.000 -0.421) 0.825 7.083 ( 0.856 -0.000 -0.159) 0.870 7.224 ( 0.287 -0.000 -0.354) 0.456 7.494 ( -0.036 0.000 0.370) 0.372 7.607 ( -1.057 0.000 -1.387) 1.743 7.702 ( 1.169 -0.000 -0.137) 1.177 7.801 ( -0.033 0.000 -0.105) 0.110 8.356 ( 0.328 -0.000 0.540) 0.632 8.438 ( -0.228 0.000 0.613) 0.653 9.172 ( 0.045 -0.000 0.175) 0.180 9.365 ( 1.589 -0.000 -0.755) 1.759 10.045 ( 0.019 -0.000 0.260) 0.261 10.854 ( -4.509 0.000 -4.646) 6.474 12.137 ( 0.450 -0.000 0.875) 0.984 12.244 ( 0.355 -0.000 0.055) 0.359 12.302 ( -0.274 0.000 -0.548) 0.613 12.358 ( -0.324 0.000 0.865) 0.924 15.942 ( 0.231 -0.000 1.079) 1.104 16.034 ( -2.371 0.000 1.804) 2.979 16.214 ( 1.123 -0.000 -1.116) 1.583 16.305 ( -1.251 0.000 1.853) 2.236 18.465 ( 0.545 -0.000 -4.184) 4.219 18.900 ( 2.278 -0.000 -9.243) 9.519======================= Grid point 97 (44/150) =======================q-point: ( 0.50 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.775 ( -0.739 -1.951 1.987) 2.881 0.948 ( 3.674 -13.338 8.508) 16.241 1.093 ( -3.333 -24.460 3.667) 24.957 1.332 ( -1.587 7.090 12.732) 14.660 1.702 ( -0.782 2.379 1.858) 3.118 1.881 ( 2.496 -0.051 8.141) 8.516 2.005 ( 0.222 -13.174 2.652) 13.440 2.157 ( -3.004 8.860 -0.811) 9.390 2.355 ( 0.592 -0.587 -0.780) 1.142 2.544 ( -1.241 11.862 1.432) 12.012 2.860 ( 3.204 -4.245 2.714) 5.971 2.868 ( -2.448 -5.471 -0.682) 6.032 3.304 ( 5.987 5.283 1.046) 8.052 3.423 ( -4.745 7.443 -0.850) 8.868 3.745 ( -0.484 -6.606 -1.615) 6.818 3.940 ( 0.197 2.280 -1.347) 2.655 4.207 ( 0.079 0.851 -0.302) 0.907 4.248 ( -1.138 6.112 -0.481) 6.236 4.489 ( -0.977 -2.655 -1.063) 3.022 4.649 ( 0.182 -8.326 0.222) 8.331 5.029 ( 0.629 0.698 0.266) 0.976 5.309 ( 0.381 -3.499 -1.612) 3.871 5.487 ( 1.966 3.928 -1.105) 4.529 5.531 ( -1.703 2.221 -0.319) 2.817 5.695 ( 0.134 -1.168 -1.426) 1.848 6.173 ( -0.166 -11.279 -0.218) 11.282 7.076 ( -0.036 0.801 -0.570) 0.983 7.392 ( 0.323 -9.628 -0.534) 9.648 7.534 ( 0.198 -3.679 0.352) 3.701 7.583 ( 0.191 1.583 -1.260) 2.032 7.666 ( 0.605 4.356 0.126) 4.399 7.990 ( -0.891 -22.690 -1.972) 22.793 8.289 ( 0.834 6.610 0.371) 6.672 8.467 ( -0.112 -3.272 0.652) 3.338 9.187 ( 0.059 -1.604 0.118) 1.609 9.368 ( 1.132 0.754 -0.429) 1.426 10.210 ( -0.140 -17.570 -1.000) 17.599 10.750 ( -4.336 6.450 -4.139) 8.805 12.133 ( 0.148 0.732 0.792) 1.088 12.229 ( 0.461 2.247 0.241) 2.307 12.298 ( 0.114 0.251 -0.340) 0.438 12.342 ( -0.216 1.453 0.851) 1.698 15.939 ( 0.013 0.434 0.981) 1.073 16.014 ( -1.198 0.748 1.662) 2.181 16.257 ( 1.796 -3.260 -0.858) 3.820 16.340 ( -2.309 -4.342 1.016) 5.022 18.434 ( 0.518 3.150 -3.500) 4.737 18.809 ( 0.955 9.426 -7.710) 12.215======================= Grid point 98 (45/150) =======================q-point: (-0.38 -0.62 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.833 ( -0.706 -6.148 0.265) 6.194 1.127 ( 2.649 -6.088 6.552) 9.328 1.263 ( -7.031 -4.456 14.736) 16.925 1.598 ( -0.787 -19.196 1.108) 19.244 1.631 ( 2.605 5.029 3.038) 6.427 1.885 ( 0.147 1.581 7.543) 7.708 2.057 ( -4.906 -5.096 -1.323) 7.196 2.179 ( 0.539 2.026 1.341) 2.489 2.357 ( -3.217 1.903 0.063) 3.739 2.396 ( 4.881 -3.363 1.674) 6.159 2.819 ( -3.113 6.645 1.078) 7.416 2.966 ( 3.082 -3.579 0.848) 4.798 3.282 ( -7.495 2.809 -0.584) 8.025 3.299 ( 6.323 0.604 1.047) 6.438 3.809 ( -0.368 0.479 -3.448) 3.501 3.902 ( 0.625 0.932 1.257) 1.685 4.073 ( -1.622 11.296 -1.647) 11.530 4.245 ( 0.761 -4.200 0.882) 4.358 4.573 ( 0.706 -6.754 -0.687) 6.825 4.812 ( -0.061 -9.028 0.049) 9.029 5.040 ( 1.432 -1.425 0.484) 2.077 5.359 ( 0.930 10.037 -1.714) 10.225 5.365 ( -0.196 -2.310 -1.412) 2.715 5.493 ( -0.891 1.421 -0.422) 1.729 5.695 ( 0.298 0.764 -1.337) 1.568 6.392 ( 0.200 -11.914 -0.135) 11.917 7.065 ( -0.259 0.062 -0.528) 0.592 7.419 ( -0.625 4.203 -0.409) 4.269 7.566 ( 1.882 5.004 0.446) 5.365 7.587 ( 1.812 0.398 0.200) 1.866 7.596 ( -1.401 -1.822 0.070) 2.300 8.113 ( -0.260 7.931 -0.502) 7.951 8.512 ( 2.759 -23.590 -2.018) 23.837 8.553 ( 0.683 -7.069 0.657) 7.132 9.225 ( 0.391 -2.174 0.191) 2.217 9.352 ( 0.531 1.737 0.032) 1.816 10.594 ( 3.346 0.433 -3.103) 4.584 10.616 ( -4.367 -18.812 -2.560) 19.481 12.117 ( -0.058 1.057 0.352) 1.116 12.172 ( 0.287 4.215 0.914) 4.322 12.294 ( 0.304 0.325 -0.228) 0.500 12.316 ( -0.199 1.158 0.610) 1.324 15.932 ( -0.303 0.360 0.879) 0.997 15.999 ( -0.215 0.587 1.639) 1.754 16.310 ( 0.187 -1.003 -0.018) 1.020 16.435 ( 0.314 -7.365 -0.566) 7.393 18.368 ( 0.261 3.844 -2.516) 4.602 18.607 ( -1.143 11.215 -5.580) 12.579======================= Grid point 99 (46/150) =======================q-point: (-0.25 -0.62 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( 0.568 -6.823 -0.853) 6.899 1.219 ( -3.221 -6.092 4.526) 8.244 1.391 ( -3.967 -7.144 15.262) 17.312 1.489 ( 2.959 8.858 6.261) 11.244 1.714 ( -5.916 1.952 1.070) 6.321 1.836 ( 5.071 5.691 3.341) 8.322 2.081 ( 2.541 1.277 1.314) 3.133 2.277 ( -3.480 -14.879 -1.201) 15.328 2.343 ( -1.011 1.043 0.195) 1.466 2.536 ( 1.599 -5.603 1.408) 5.994 2.656 ( -2.376 7.404 2.327) 8.116 3.089 ( 2.993 -8.401 0.480) 8.931 3.177 ( -7.065 1.594 -0.466) 7.258 3.394 ( 4.685 -5.722 1.093) 7.476 3.669 ( 2.122 15.328 -0.139) 15.475 3.838 ( -5.516 6.964 -2.896) 9.344 3.964 ( 2.043 -1.494 -0.381) 2.559 4.326 ( -0.121 -3.548 0.781) 3.634 4.732 ( 2.460 -9.681 -0.349) 9.994 4.931 ( -0.225 -3.788 0.142) 3.798 5.111 ( 1.604 -4.318 -0.044) 4.607 5.175 ( -0.021 9.653 -1.658) 9.794 5.374 ( -0.633 0.866 -1.273) 1.665 5.458 ( -0.920 1.531 -0.820) 1.965 5.682 ( 0.317 0.607 -1.391) 1.550 6.573 ( 0.055 -7.803 -0.287) 7.809 7.069 ( -0.061 -0.484 -0.418) 0.643 7.310 ( -0.207 6.281 -0.011) 6.285 7.482 ( 0.143 3.760 0.282) 3.773 7.590 ( 1.520 1.283 -0.400) 2.029 7.611 ( -0.839 -0.727 1.281) 1.695 7.987 ( -0.088 5.214 -0.582) 5.248 8.648 ( 0.013 -4.648 0.439) 4.669 8.877 ( 2.994 -13.112 -1.073) 13.492 9.257 ( 0.199 -0.698 -0.385) 0.821 9.318 ( 0.274 1.961 0.551) 2.055 10.497 ( -1.555 3.079 -1.567) 3.789 11.012 ( 3.644 -16.696 -3.144) 17.376 12.086 ( 0.135 2.808 0.057) 2.812 12.116 ( -0.293 1.230 0.944) 1.578 12.290 ( 0.180 0.264 -0.159) 0.357 12.301 ( -0.092 0.491 0.424) 0.655 15.925 ( -0.319 0.172 0.844) 0.919 15.993 ( 0.030 0.188 1.693) 1.704 16.305 ( -0.718 0.731 0.415) 1.105 16.573 ( 2.055 -6.261 -1.657) 6.794 18.307 ( 0.321 2.864 -1.719) 3.355 18.422 ( -1.987 6.960 -3.524) 8.050======================= Grid point 100 (47/150) =======================q-point: (-0.12 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( 0.878 5.288 -1.338) 5.525 1.287 ( 2.291 12.452 2.425) 12.891 1.320 ( -2.910 -5.718 8.101) 10.334 1.508 ( 0.100 0.159 13.966) 13.967 1.629 ( -3.793 -2.955 5.013) 6.946 1.858 ( -1.772 -6.238 0.191) 6.487 2.167 ( 3.374 -5.254 0.835) 6.300 2.284 ( 0.623 4.448 0.089) 4.492 2.400 ( -4.717 -1.935 0.285) 5.107 2.550 ( 2.475 2.167 4.198) 5.334 2.615 ( -0.262 -0.605 0.761) 1.007 3.074 ( -4.623 3.420 -0.866) 5.815 3.249 ( 3.628 7.439 -0.304) 8.282 3.472 ( -0.635 -5.343 -0.512) 5.405 3.553 ( 6.677 -6.949 1.576) 9.765 3.675 ( -6.165 5.817 -2.149) 8.745 4.004 ( 0.880 -1.217 -0.209) 1.516 4.355 ( -0.721 0.006 0.421) 0.835 4.930 ( 1.981 -7.029 -0.956) 7.366 4.962 ( -0.081 1.046 -0.017) 1.050 4.980 ( -1.043 5.345 -1.752) 5.721 5.195 ( 0.130 -0.322 -1.409) 1.451 5.350 ( 0.088 -0.175 -0.273) 0.336 5.433 ( -0.002 0.485 -0.330) 0.587 5.679 ( 0.221 -0.218 -1.357) 1.392 6.644 ( 0.134 0.405 -0.582) 0.722 7.072 ( -0.211 0.115 -0.420) 0.484 7.247 ( -0.005 -0.473 0.368) 0.599 7.443 ( -0.081 0.894 -0.167) 0.913 7.570 ( 0.181 1.060 -0.333) 1.126 7.622 ( -0.132 -0.730 1.142) 1.362 7.938 ( 0.053 0.119 -0.576) 0.590 8.691 ( -0.013 0.195 0.249) 0.317 9.032 ( 0.714 -2.290 -0.408) 2.433 9.243 ( -0.236 0.745 -2.172) 2.308 9.303 ( -0.065 0.477 0.786) 0.921 10.462 ( 0.056 0.333 -0.432) 0.548 11.216 ( 0.697 -4.504 -3.422) 5.699 12.054 ( -0.113 0.182 0.080) 0.229 12.107 ( -0.295 -0.133 0.397) 0.513 12.288 ( 0.001 0.022 -0.078) 0.081 12.298 ( -0.024 -0.136 0.317) 0.346 15.923 ( -0.140 0.002 0.892) 0.903 15.995 ( -0.252 -0.320 1.702) 1.750 16.288 ( -0.008 0.796 0.794) 1.125 16.660 ( 0.200 -2.450 -2.778) 3.709 18.275 ( 1.348 0.969 -1.154) 2.021 18.338 ( -0.753 1.039 -2.036) 2.406======================= Grid point 105 (48/150) =======================q-point: (-0.50 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.623 ( -1.954 0.000 1.213) 2.300 0.766 ( -7.218 0.000 2.241) 7.557 0.968 ( 1.673 -0.000 14.056) 14.155 1.436 ( -5.732 0.000 9.542) 11.131 1.720 ( 0.714 -0.000 2.179) 2.293 1.817 ( 1.094 -0.000 1.421) 1.794 1.909 ( -3.339 0.000 8.425) 9.063 2.279 ( -0.611 0.000 -1.416) 1.542 2.352 ( 4.128 -0.000 0.091) 4.129 2.703 ( 0.215 -0.000 0.711) 0.742 2.774 ( -1.056 0.000 -1.172) 1.578 2.782 ( -0.311 0.000 4.464) 4.475 3.369 ( -3.589 0.000 -1.504) 3.891 3.549 ( 0.202 -0.000 0.938) 0.959 3.626 ( 3.020 -0.000 -1.477) 3.362 3.967 ( 0.667 -0.000 -1.954) 2.065 4.224 ( -0.866 0.000 -1.899) 2.087 4.295 ( -0.452 0.000 -0.613) 0.762 4.467 ( 0.135 -0.000 -0.779) 0.791 4.562 ( 0.297 -0.000 0.394) 0.493 5.044 ( 0.542 -0.000 0.693) 0.880 5.275 ( 1.064 -0.000 -1.581) 1.905 5.518 ( -0.745 0.000 0.003) 0.745 5.531 ( -0.034 0.000 -0.262) 0.264 5.677 ( 0.702 -0.000 -1.555) 1.706 6.066 ( 0.667 -0.000 0.015) 0.667 7.084 ( -0.580 0.000 -0.803) 0.990 7.225 ( 0.031 -0.000 -0.366) 0.368 7.494 ( -0.086 0.000 0.338) 0.349 7.598 ( 0.138 -0.000 -1.281) 1.289 7.717 ( 0.803 -0.000 0.389) 0.893 7.802 ( 0.196 -0.000 0.057) 0.204 8.362 ( 0.287 -0.000 0.627) 0.689 8.437 ( -0.145 0.000 0.563) 0.581 9.171 ( -0.142 0.000 0.077) 0.162 9.381 ( 0.664 -0.000 -0.403) 0.777 10.045 ( -0.120 0.000 0.221) 0.251 10.781 ( -4.091 0.000 -6.348) 7.551 12.140 ( -0.266 0.000 0.924) 0.962 12.253 ( 0.654 -0.000 0.095) 0.661 12.302 ( 0.385 -0.000 -0.277) 0.474 12.361 ( 0.600 -0.000 1.070) 1.226 15.944 ( -0.261 0.000 0.952) 0.987 16.016 ( -0.586 0.000 1.672) 1.771 16.229 ( 1.078 -0.000 -1.134) 1.565 16.291 ( -1.204 0.000 1.855) 2.211 18.466 ( 0.674 -0.000 -3.953) 4.010 18.892 ( -0.555 0.000 -9.811) 9.827======================= Grid point 106 (49/150) =======================q-point: (-0.38 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( -7.273 -3.943 0.906) 8.323 0.982 ( -4.642 -26.866 3.215) 27.453 1.058 ( 1.144 -6.734 10.245) 12.313 1.316 ( -5.236 0.699 9.886) 11.209 1.721 ( 2.619 2.015 2.628) 4.222 1.872 ( -8.056 0.640 6.542) 10.397 1.974 ( 1.183 -10.000 2.069) 10.280 2.172 ( 1.891 6.170 -0.044) 6.454 2.388 ( 3.859 -0.400 1.017) 4.011 2.538 ( -0.092 12.428 1.210) 12.487 2.822 ( -3.357 -2.766 -1.294) 4.538 2.904 ( 1.942 -7.187 3.277) 8.134 3.265 ( -8.895 4.138 -1.722) 9.960 3.441 ( 4.643 7.980 0.516) 9.247 3.749 ( 1.500 -5.392 -1.302) 5.746 3.940 ( 0.381 2.560 -1.485) 2.984 4.203 ( -0.479 0.356 -0.481) 0.767 4.240 ( 0.266 5.692 -0.769) 5.750 4.489 ( 1.149 -2.836 -0.628) 3.123 4.651 ( -0.033 -8.122 0.267) 8.126 5.044 ( 1.161 0.235 0.886) 1.479 5.313 ( 0.653 -2.905 -1.543) 3.353 5.504 ( -1.403 0.766 -0.193) 1.610 5.517 ( 1.991 5.282 -1.176) 5.766 5.699 ( 0.758 -1.101 -1.271) 1.844 6.176 ( 0.566 -11.098 -0.082) 11.112 7.066 ( -0.997 0.573 -0.898) 1.459 7.400 ( 0.928 -8.467 -0.290) 8.523 7.531 ( -0.485 -2.979 0.262) 3.030 7.601 ( 2.168 -0.634 -0.572) 2.330 7.677 ( 0.747 4.678 0.518) 4.766 8.004 ( 3.602 -23.260 -1.845) 23.609 8.303 ( 1.098 4.849 0.792) 5.035 8.467 ( -0.044 -3.405 0.663) 3.469 9.188 ( 0.092 -1.906 0.162) 1.915 9.376 ( -0.078 0.810 -0.209) 0.841 10.215 ( 1.334 -18.347 -0.900) 18.417 10.688 ( -2.935 5.535 -6.155) 8.782 12.131 ( -0.569 0.700 0.756) 1.177 12.239 ( 0.734 2.259 0.443) 2.416 12.303 ( 0.539 0.261 -0.286) 0.663 12.347 ( 0.731 2.013 1.166) 2.439 15.937 ( -0.518 0.457 0.881) 1.120 16.012 ( 0.255 0.551 1.662) 1.770 16.274 ( 0.259 -2.885 -0.610) 2.960 16.325 ( 0.620 -4.981 0.856) 5.091 18.434 ( 0.490 3.280 -3.446) 4.783 18.778 ( -2.930 9.544 -9.345) 13.675======================= Grid point 107 (50/150) =======================q-point: (-0.25 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.796 ( -4.165 -9.555 1.008) 10.472 1.097 ( -10.672 -3.294 3.871) 11.821 1.233 ( 1.480 -9.038 15.611) 18.100 1.603 ( 0.836 -6.772 3.953) 7.886 1.703 ( 5.274 -2.599 2.675) 6.459 1.831 ( -9.047 -9.661 3.441) 13.676 2.034 ( 2.876 0.545 2.057) 3.578 2.191 ( 0.571 2.449 0.816) 2.643 2.329 ( -0.879 4.065 1.254) 4.344 2.465 ( 3.981 -3.644 1.104) 5.509 2.750 ( -5.423 5.943 -0.942) 8.100 3.028 ( 2.317 -3.573 3.081) 5.257 3.160 ( -7.051 1.034 -1.366) 7.256 3.371 ( 3.066 1.640 0.773) 3.562 3.788 ( -1.610 1.244 -3.583) 4.120 3.916 ( 1.166 -0.104 0.797) 1.416 4.060 ( 0.347 12.516 -1.701) 12.636 4.261 ( 1.067 -3.879 0.936) 4.130 4.593 ( 2.048 -7.541 -0.124) 7.815 4.809 ( -0.468 -8.931 -0.022) 8.943 5.068 ( 1.985 -1.775 1.082) 2.874 5.354 ( -0.322 1.481 -1.631) 2.226 5.375 ( 1.208 7.704 -1.736) 7.989 5.475 ( -1.336 1.454 -0.722) 2.102 5.700 ( 0.674 0.993 -1.253) 1.735 6.395 ( 0.243 -11.699 -0.129) 11.702 7.058 ( -0.399 -0.370 -0.501) 0.740 7.411 ( -0.208 4.121 -0.388) 4.145 7.562 ( -1.810 2.119 0.685) 2.870 7.590 ( 0.820 1.365 1.096) 1.933 7.628 ( 2.542 1.116 -0.315) 2.794 8.107 ( -0.335 7.650 -0.710) 7.690 8.543 ( 0.567 -7.562 0.218) 7.587 8.614 ( 8.675 -20.337 -0.972) 22.132 9.231 ( 0.413 -2.236 0.169) 2.280 9.352 ( -0.489 1.502 0.188) 1.591 10.525 ( -4.257 -0.716 -1.679) 4.632 10.703 ( 9.784 -19.209 -5.525) 22.254 12.112 ( -0.700 0.906 0.283) 1.180 12.182 ( 0.787 4.611 1.111) 4.807 12.299 ( 0.368 0.461 -0.306) 0.665 12.317 ( 0.134 1.434 0.783) 1.639 15.927 ( -0.462 0.291 0.845) 1.006 16.005 ( 0.509 0.663 1.663) 1.861 16.296 ( -1.722 -0.797 0.218) 1.910 16.473 ( 4.805 -7.594 -0.891) 9.031 18.365 ( -0.142 3.877 -2.620) 4.681 18.549 ( -5.080 10.190 -6.403) 13.063======================= Grid point 108 (51/150) =======================q-point: (-0.12 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( -1.658 -8.528 -0.003) 8.688 1.142 ( -8.303 -9.081 4.357) 13.053 1.375 ( -1.985 -3.192 12.598) 13.147 1.530 ( -0.942 3.355 7.824) 8.565 1.671 ( 0.493 6.478 2.857) 7.097 1.919 ( 5.551 8.977 1.977) 10.738 2.137 ( 4.599 -1.001 2.384) 5.276 2.214 ( -4.415 -15.442 -1.020) 16.093 2.346 ( 1.329 -1.002 0.652) 1.788 2.556 ( 0.661 -2.861 1.272) 3.200 2.614 ( -3.585 2.739 1.268) 4.686 3.045 ( -10.387 -2.233 -1.442) 10.722 3.149 ( 4.913 -2.690 1.617) 5.830 3.457 ( 3.031 -7.393 1.703) 8.170 3.693 ( -1.015 7.903 -2.034) 8.223 3.776 ( -0.147 15.230 -0.976) 15.262 3.973 ( -0.072 -2.235 -1.612) 2.756 4.330 ( 0.545 -2.689 1.058) 2.941 4.773 ( 3.048 -10.084 0.195) 10.537 4.926 ( -0.435 -4.143 0.037) 4.166 5.138 ( 1.953 -1.032 0.213) 2.220 5.169 ( -0.424 8.523 -2.087) 8.785 5.361 ( -0.703 0.887 -1.612) 1.970 5.441 ( -1.170 0.971 -0.677) 1.664 5.685 ( 0.441 0.780 -1.353) 1.623 6.571 ( -0.155 -7.728 -0.345) 7.737 7.067 ( -0.094 -0.530 -0.342) 0.637 7.310 ( 0.229 6.102 0.035) 6.106 7.482 ( -0.170 3.582 0.551) 3.628 7.592 ( -0.951 0.647 0.341) 1.200 7.617 ( 1.057 0.685 0.467) 1.343 7.984 ( -0.167 5.026 -0.608) 5.065 8.649 ( -0.081 -4.679 0.496) 4.705 8.934 ( 4.665 -9.899 -0.994) 10.988 9.255 ( -0.373 0.099 -0.892) 0.972 9.322 ( 0.002 1.479 0.800) 1.681 10.470 ( -1.605 1.332 -1.320) 2.468 11.087 ( 7.221 -12.713 -4.017) 15.162 12.085 ( -0.264 2.241 -0.304) 2.276 12.116 ( 0.121 2.053 1.253) 2.408 12.293 ( 0.162 0.396 -0.189) 0.468 12.301 ( -0.014 0.516 0.458) 0.691 15.923 ( -0.251 0.040 0.855) 0.892 15.999 ( 0.221 0.497 1.701) 1.786 16.291 ( -1.316 -0.068 0.453) 1.394 16.614 ( 4.055 -4.103 -1.924) 6.081 18.303 ( -0.767 2.182 -2.050) 3.091 18.377 ( -2.730 4.876 -3.195) 6.437======================= Grid point 114 (52/150) =======================q-point: (-0.38 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( -8.247 0.000 1.210) 8.336 0.631 ( -11.165 0.000 3.550) 11.716 1.058 ( 6.197 -0.000 13.482) 14.838 1.267 ( -19.549 0.000 6.129) 20.487 1.751 ( 2.802 -0.000 2.623) 3.838 1.851 ( -6.081 0.000 9.821) 11.551 1.870 ( 5.338 -0.000 1.660) 5.590 2.248 ( -2.960 0.000 -1.663) 3.395 2.458 ( 8.674 -0.000 -0.061) 8.674 2.709 ( -0.005 0.000 0.315) 0.315 2.740 ( -2.747 0.000 -1.120) 2.967 2.780 ( -1.054 0.000 5.269) 5.373 3.256 ( -9.852 0.000 -4.226) 10.720 3.558 ( 0.668 -0.000 1.029) 1.227 3.713 ( 7.583 -0.000 -0.256) 7.587 3.976 ( 1.463 -0.000 -1.494) 2.091 4.205 ( -1.170 0.000 -2.255) 2.541 4.284 ( -0.801 0.000 -0.719) 1.076 4.486 ( 2.180 -0.000 -0.675) 2.282 4.568 ( 0.450 -0.000 0.480) 0.658 5.053 ( 0.388 -0.000 0.853) 0.937 5.291 ( 1.337 -0.000 -1.438) 1.964 5.500 ( -1.517 0.000 0.073) 1.519 5.530 ( -0.070 0.000 -0.289) 0.298 5.688 ( 1.151 -0.000 -1.489) 1.882 6.084 ( 1.646 -0.000 0.261) 1.667 7.068 ( -1.290 0.000 -0.911) 1.580 7.223 ( -0.192 0.000 -0.395) 0.439 7.493 ( -0.112 0.000 0.335) 0.353 7.603 ( 0.661 -0.000 -1.205) 1.374 7.729 ( 0.784 -0.000 0.418) 0.889 7.806 ( 0.318 -0.000 0.130) 0.344 8.365 ( -0.089 0.000 0.661) 0.667 8.437 ( -0.035 0.000 0.556) 0.557 9.168 ( -0.263 0.000 0.029) 0.265 9.380 ( -0.710 0.000 -0.328) 0.782 10.043 ( -0.206 0.000 0.168) 0.266 10.708 ( -4.176 0.000 -8.980) 9.904 12.133 ( -0.805 0.000 0.795) 1.132 12.261 ( 0.474 -0.000 0.356) 0.593 12.309 ( 0.591 -0.000 -0.386) 0.706 12.385 ( 2.453 -0.000 1.761) 3.020 15.939 ( -0.606 0.000 0.938) 1.117 16.023 ( 0.790 -0.000 1.783) 1.950 16.235 ( 0.009 -0.000 -1.173) 1.173 16.284 ( -0.120 0.000 1.886) 1.890 18.468 ( 0.821 -0.000 -3.956) 4.040 18.842 ( -3.500 0.000 -13.067) 13.528======================= Grid point 115 (53/150) =======================q-point: (-0.25 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( -8.624 -6.667 3.953) 11.595 0.852 ( -12.154 -20.459 1.974) 23.878 1.144 ( 2.708 -7.731 6.775) 10.631 1.206 ( -9.149 -12.555 12.390) 19.871 1.749 ( -4.102 4.056 5.210) 7.773 1.797 ( 1.421 1.052 3.960) 4.337 2.029 ( 4.363 -8.462 3.855) 10.272 2.178 ( -0.220 2.862 -0.729) 2.961 2.451 ( 3.736 2.797 1.781) 4.995 2.543 ( 0.612 11.068 0.331) 11.089 2.773 ( -2.998 -0.375 -1.677) 3.456 2.927 ( 0.158 -9.024 3.621) 9.725 3.118 ( -10.359 2.760 -2.315) 10.967 3.488 ( 1.715 6.991 0.102) 7.199 3.781 ( 3.024 -0.911 -1.381) 3.446 3.947 ( 1.059 2.871 -1.157) 3.272 4.197 ( -0.116 -0.494 -0.263) 0.571 4.247 ( 0.678 3.805 -0.757) 3.939 4.511 ( 1.806 -2.569 -0.477) 3.176 4.649 ( -0.282 -7.523 0.245) 7.533 5.061 ( 0.811 -0.599 0.928) 1.370 5.319 ( 0.550 -2.016 -1.787) 2.750 5.481 ( -1.394 0.955 0.262) 1.710 5.551 ( 2.871 5.361 -1.625) 6.294 5.711 ( 1.213 -1.103 -1.214) 2.040 6.187 ( 1.008 -10.617 -0.222) 10.667 7.051 ( -0.724 0.063 -0.576) 0.927 7.421 ( 2.180 -5.543 -0.053) 5.956 7.527 ( -0.168 -1.963 0.342) 2.000 7.631 ( 2.023 -1.895 -0.459) 2.810 7.687 ( 0.358 4.157 0.445) 4.196 8.089 ( 8.880 -24.583 -3.607) 26.385 8.329 ( 2.747 -1.860 0.529) 3.360 8.469 ( 0.120 -3.646 0.753) 3.725 9.190 ( 0.045 -2.339 0.115) 2.342 9.364 ( -1.349 0.752 -0.351) 1.584 10.255 ( 5.208 -21.288 -0.700) 21.927 10.636 ( -2.446 2.154 -9.403) 9.952 12.121 ( -0.915 0.708 0.599) 1.303 12.251 ( 0.747 1.879 0.692) 2.137 12.309 ( 0.433 0.349 -0.447) 0.714 12.369 ( 1.791 3.469 1.754) 4.280 15.931 ( -0.530 0.399 0.908) 1.124 16.025 ( 0.992 0.673 1.837) 2.194 16.262 ( -1.405 -1.611 0.167) 2.144 16.364 ( 4.515 -8.181 -0.261) 9.347 18.433 ( 0.197 3.767 -3.717) 5.295 18.680 ( -8.128 10.302 -11.643) 17.543======================= Grid point 116 (54/150) =======================q-point: (-0.12 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( -4.989 -12.222 3.488) 13.654 0.910 ( -15.142 -7.803 4.818) 17.703 1.310 ( 4.051 -5.108 13.571) 15.056 1.605 ( -4.265 6.053 5.828) 9.423 1.704 ( -4.653 -34.034 0.923) 34.363 1.786 ( 3.800 3.399 2.953) 5.892 2.112 ( 6.167 2.569 3.716) 7.645 2.205 ( 1.584 0.968 1.098) 2.157 2.331 ( 0.265 4.578 1.807) 4.929 2.516 ( 3.332 -2.417 0.560) 4.154 2.671 ( -5.138 6.434 -1.404) 8.353 2.944 ( -11.217 0.486 -0.612) 11.244 3.170 ( 5.040 -6.131 2.785) 8.411 3.390 ( -0.244 2.360 0.088) 2.374 3.752 ( -2.192 3.959 -3.402) 5.662 3.936 ( 1.469 -0.928 -0.375) 1.777 4.076 ( 2.103 12.931 -0.579) 13.114 4.275 ( 0.683 -3.738 0.689) 3.862 4.624 ( 2.061 -8.303 0.009) 8.556 4.800 ( -0.742 -8.928 -0.114) 8.959 5.094 ( 1.234 -2.348 0.790) 2.767 5.348 ( -0.047 -0.434 -1.791) 1.843 5.389 ( 1.275 11.367 -1.932) 11.600 5.454 ( -1.318 1.579 -0.504) 2.118 5.708 ( 0.772 1.332 -1.179) 1.939 6.398 ( 0.335 -11.126 -0.324) 11.135 7.054 ( -0.149 -0.653 -0.271) 0.723 7.414 ( 0.709 4.414 -0.077) 4.471 7.537 ( -1.896 1.113 0.901) 2.376 7.603 ( 0.662 3.039 0.716) 3.192 7.654 ( 1.304 1.486 -0.389) 2.015 8.102 ( -0.192 7.940 -0.635) 7.968 8.547 ( 0.019 -6.031 0.589) 6.060 8.755 ( 10.300 -16.556 -3.022) 19.732 9.234 ( -0.048 -2.036 -0.278) 2.055 9.341 ( -1.005 0.823 0.155) 1.308 10.479 ( -1.867 0.816 -0.750) 2.172 10.860 ( 14.081 -20.684 -9.113) 26.630 12.101 ( -0.810 0.806 0.041) 1.143 12.197 ( 0.888 4.862 1.373) 5.129 12.303 ( 0.288 0.565 -0.378) 0.738 12.321 ( 0.097 1.989 0.931) 2.198 15.924 ( -0.269 0.184 0.872) 0.931 16.018 ( 0.684 0.975 1.761) 2.126 16.271 ( -1.804 -0.847 0.448) 2.043 16.560 ( 7.601 -6.813 -2.051) 10.411 18.342 ( -3.301 4.259 -3.599) 6.480 18.452 ( -5.421 6.756 -5.074) 10.039======================= Grid point 123 (55/150) =======================q-point: (-0.25 -0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.412 ( -10.736 0.000 3.201) 11.203 0.487 ( -10.024 0.000 8.243) 12.978 0.932 ( -26.164 0.000 4.572) 26.560 1.199 ( 8.061 -0.000 14.811) 16.863 1.776 ( -7.481 0.000 10.783) 13.124 1.806 ( 3.920 -0.000 2.498) 4.648 1.953 ( 5.105 -0.000 1.051) 5.212 2.197 ( -3.376 0.000 -1.332) 3.629 2.567 ( 6.357 -0.000 -3.283) 7.155 2.674 ( -3.688 0.000 -1.328) 3.920 2.728 ( 0.338 -0.000 0.699) 0.777 2.783 ( 0.051 -0.000 7.095) 7.095 3.087 ( -12.342 0.000 -6.549) 13.971 3.570 ( 0.656 -0.000 0.945) 1.150 3.810 ( 5.665 -0.000 -1.118) 5.775 4.014 ( 4.233 -0.000 -0.094) 4.234 4.185 ( -0.986 0.000 -1.899) 2.139 4.272 ( -0.614 0.000 -0.507) 0.796 4.513 ( 1.657 -0.000 -0.855) 1.865 4.575 ( 0.297 -0.000 0.379) 0.482 5.057 ( -0.106 0.000 0.643) 0.651 5.304 ( 1.014 -0.000 -1.617) 1.909 5.484 ( -0.466 0.000 1.035) 1.135 5.528 ( -0.032 0.000 -0.281) 0.282 5.701 ( 0.969 -0.000 -1.606) 1.876 6.108 ( 1.433 -0.000 -0.011) 1.433 7.051 ( -0.744 0.000 -0.375) 0.833 7.219 ( -0.248 0.000 -0.420) 0.488 7.492 ( -0.122 0.000 0.345) 0.366 7.608 ( 0.444 -0.000 -1.068) 1.157 7.738 ( 0.254 -0.000 -0.497) 0.558 7.811 ( 0.279 -0.000 0.083) 0.291 8.361 ( -0.645 0.000 0.290) 0.707 8.438 ( 0.040 -0.000 0.599) 0.601 9.164 ( -0.247 0.000 0.057) 0.254 9.360 ( -1.754 0.000 -0.730) 1.900 10.040 ( -0.187 0.000 0.134) 0.230 10.615 ( -6.403 0.000 -10.621) 12.402 12.122 ( -0.861 0.000 0.641) 1.073 12.269 ( 0.557 -0.000 0.602) 0.820 12.315 ( 0.366 -0.000 -0.512) 0.629 12.435 ( 3.796 -0.000 2.141) 4.358 15.933 ( -0.463 0.000 0.999) 1.101 16.045 ( 1.787 -0.000 2.763) 3.290 16.226 ( -0.862 0.000 -0.957) 1.288 16.294 ( 0.770 -0.000 1.677) 1.845 18.471 ( 0.589 -0.000 -4.554) 4.592 18.718 ( -10.443 0.000 -19.407) 22.038======================= Grid point 124 (56/150) =======================q-point: (-0.12 -0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.501 ( -6.624 -8.738 8.067) 13.612 0.652 ( -16.492 -10.470 5.169) 20.207 1.006 ( -11.260 -34.361 4.493) 36.437 1.295 ( 7.152 -2.632 12.847) 14.937 1.679 ( -6.493 4.862 8.516) 11.761 1.849 ( 2.901 0.773 2.048) 3.634 2.107 ( 5.623 -7.828 2.649) 9.996 2.180 ( 0.503 -0.915 -0.907) 1.383 2.495 ( 2.080 7.145 3.601) 8.267 2.561 ( 2.297 6.022 -1.571) 6.633 2.729 ( -2.775 2.645 -1.511) 4.121 2.882 ( -8.700 0.192 -0.782) 8.737 3.011 ( -2.534 -9.922 2.229) 10.480 3.500 ( 0.511 6.860 0.178) 6.882 3.814 ( 1.767 3.302 -2.196) 4.341 3.964 ( 1.204 3.359 -0.341) 3.585 4.201 ( 0.797 -2.291 0.025) 2.426 4.253 ( 0.223 2.777 -0.429) 2.819 4.534 ( 1.370 -2.588 -0.528) 2.976 4.644 ( -0.483 -6.777 0.136) 6.795 5.068 ( -0.015 -1.283 0.467) 1.366 5.321 ( 0.346 -1.334 -2.000) 2.429 5.467 ( -0.794 0.923 0.376) 1.274 5.589 ( 2.770 7.186 -2.139) 7.993 5.728 ( 1.492 -0.752 -1.323) 2.131 6.203 ( 1.320 -10.348 -0.636) 10.451 7.044 ( -0.183 -0.224 -0.102) 0.307 7.461 ( 3.063 -1.490 0.008) 3.406 7.528 ( 0.276 -0.571 0.036) 0.635 7.653 ( 1.116 -1.707 -0.578) 2.120 7.685 ( -0.759 3.136 -0.172) 3.231 8.208 ( 6.546 -5.667 -3.714) 9.421 8.410 ( 9.237 -21.782 -6.743) 24.602 8.480 ( 2.596 -8.415 -0.431) 8.817 9.189 ( -0.155 -2.494 -0.057) 2.500 9.340 ( -1.627 0.398 -0.681) 1.808 10.391 ( 14.916 -23.917 -0.058) 28.187 10.572 ( -2.992 -7.977 -15.251) 17.469 12.110 ( -0.777 0.759 0.437) 1.170 12.263 ( 0.738 1.539 0.835) 1.900 12.313 ( 0.321 0.368 -0.454) 0.667 12.396 ( 1.041 5.690 1.926) 6.097 15.927 ( -0.290 0.293 0.940) 1.026 16.046 ( 1.330 1.252 2.529) 3.120 16.242 ( -1.314 -1.046 0.259) 1.700 16.456 ( 8.919 -12.042 -2.309) 15.162 18.399 ( -7.201 6.615 -7.816) 12.518 18.512 ( -8.653 5.887 -7.993) 13.169======================= Grid point 132 (57/150) =======================q-point: (-0.12 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.274 ( -9.130 0.000 7.219) 11.640 0.374 ( -11.236 0.000 10.017) 15.053 0.590 ( -19.629 0.000 14.374) 24.329 1.338 ( 6.366 -0.000 11.736) 13.352 1.696 ( -5.114 0.000 13.800) 14.717 1.863 ( 2.978 -0.000 1.584) 3.373 2.002 ( 1.242 -0.000 0.660) 1.407 2.162 ( -0.946 0.000 -0.746) 1.205 2.619 ( 2.430 -0.000 -4.368) 4.998 2.626 ( -2.217 0.000 -0.552) 2.285 2.733 ( 0.104 -0.000 0.490) 0.501 2.801 ( -2.016 0.000 4.771) 5.179 2.880 ( -12.496 0.000 -3.442) 12.961 3.578 ( 0.233 -0.000 0.756) 0.791 3.863 ( 2.346 -0.000 -2.425) 3.374 4.078 ( 3.025 -0.000 -2.226) 3.756 4.172 ( -0.221 0.000 -0.752) 0.784 4.266 ( -0.151 0.000 -0.172) 0.229 4.532 ( 1.255 -0.000 -0.405) 1.319 4.578 ( 0.015 -0.000 0.189) 0.189 5.053 ( -0.458 0.000 0.262) 0.528 5.318 ( 1.610 -0.000 -1.435) 2.157 5.503 ( 2.979 -0.000 2.265) 3.743 5.528 ( 0.029 -0.000 -0.253) 0.255 5.709 ( 0.593 -0.000 -1.662) 1.764 6.120 ( 0.389 -0.000 -0.663) 0.769 7.046 ( 0.070 -0.000 0.192) 0.205 7.215 ( -0.142 0.000 -0.440) 0.462 7.491 ( -0.097 0.000 0.356) 0.369 7.613 ( 0.588 -0.000 -0.517) 0.783 7.717 ( -3.388 0.000 -2.236) 4.060 7.814 ( 0.082 -0.000 -0.056) 0.099 8.348 ( -0.887 0.000 -0.246) 0.921 8.440 ( 0.043 -0.000 0.672) 0.673 9.162 ( -0.097 0.000 0.148) 0.177 9.332 ( -1.590 0.000 -1.230) 2.010 10.039 ( -0.075 0.000 0.138) 0.157 10.508 ( -2.739 0.000 -1.389) 3.071 12.113 ( -0.521 0.000 0.536) 0.748 12.280 ( 0.763 -0.000 0.583) 0.960 12.319 ( 0.337 -0.000 -0.402) 0.524 12.486 ( 1.756 -0.000 -0.307) 1.783 15.930 ( -0.261 0.000 1.056) 1.087 16.102 ( 6.137 -0.000 5.333) 8.130 16.211 ( -0.769 0.000 -0.976) 1.243 16.308 ( 0.687 -0.000 1.714) 1.846 18.384 ( -20.763 0.000 -18.809) 28.015 18.505 ( -3.570 0.000 -5.146) 6.263======================= Grid point 133 (58/150) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.412 ( 0.266 -0.000 8.546) 8.550 0.445 ( 1.964 -0.000 10.000) 10.191 0.883 ( 1.238 -0.000 12.580) 12.641 1.643 ( 3.102 -0.000 12.141) 12.531 1.877 ( -2.344 0.000 0.121) 2.347 2.046 ( -0.098 0.000 1.929) 1.932 2.061 ( -4.228 0.000 19.895) 20.339 2.145 ( 0.957 -0.000 -0.819) 1.260 2.590 ( -4.674 0.000 -4.307) 6.356 2.623 ( 1.602 -0.000 0.327) 1.635 2.722 ( 5.689 -0.000 2.606) 6.257 2.738 ( -0.550 0.000 0.322) 0.637 3.079 ( 0.853 -0.000 13.319) 13.347 3.593 ( -0.521 0.000 0.816) 0.968 3.767 ( -1.134 0.000 -7.154) 7.243 3.966 ( -2.350 0.000 -4.605) 5.170 4.197 ( 1.829 -0.000 0.901) 2.038 4.270 ( 0.554 -0.000 0.177) 0.582 4.533 ( 1.185 -0.000 -0.791) 1.424 4.576 ( -0.403 0.000 -0.026) 0.404 5.045 ( -0.666 0.000 -0.074) 0.670 5.255 ( -0.477 0.000 -4.688) 4.712 5.522 ( 0.118 -0.000 -0.321) 0.342 5.536 ( 0.043 -0.000 -0.224) 0.228 5.663 ( -0.028 0.000 -2.927) 2.927 6.096 ( -0.263 0.000 -1.268) 1.295 7.058 ( 0.345 -0.000 0.400) 0.528 7.204 ( 0.089 -0.000 -0.511) 0.519 7.500 ( 0.009 -0.000 0.496) 0.496 7.626 ( 1.377 -0.000 0.105) 1.381 7.653 ( -2.143 0.000 -0.825) 2.296 7.806 ( -0.292 0.000 -0.420) 0.511 8.352 ( 0.696 -0.000 0.301) 0.758 8.459 ( -0.057 0.000 0.960) 0.962 9.169 ( 0.150 -0.000 0.424) 0.450 9.290 ( 0.145 -0.000 -1.677) 1.683 10.043 ( 0.092 -0.000 0.245) 0.262 10.669 ( 9.864 -0.000 -2.196) 10.106 12.122 ( -0.149 0.000 0.681) 0.697 12.287 ( -0.180 0.000 -0.275) 0.329 12.312 ( -0.029 0.000 -0.505) 0.505 12.438 ( -2.946 0.000 0.533) 2.994 15.959 ( -0.106 0.000 1.655) 1.658 16.181 ( -0.328 0.000 -0.918) 0.974 16.202 ( -0.484 0.000 0.301) 0.570 16.358 ( 0.210 -0.000 1.988) 1.999 18.216 ( 7.615 -0.000 -1.505) 7.762 18.441 ( 3.176 -0.000 -3.472) 4.705======================= Grid point 134 (59/150) =======================q-point: ( 0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( 7.745 -6.647 6.963) 12.355 0.794 ( 2.719 -10.410 10.345) 14.926 1.041 ( 1.905 -26.850 4.312) 27.261 1.657 ( 1.569 0.772 12.297) 12.421 1.857 ( -1.625 2.369 1.913) 3.452 1.952 ( -3.110 1.818 13.037) 13.525 2.106 ( -2.693 -3.589 1.252) 4.658 2.250 ( -1.814 -6.164 3.822) 7.476 2.458 ( -3.595 5.149 -1.401) 6.434 2.649 ( -2.240 5.956 0.310) 6.371 2.725 ( 3.395 -2.056 0.906) 4.071 2.824 ( 8.101 -2.030 3.253) 8.962 3.105 ( -2.251 -2.493 8.259) 8.915 3.547 ( -0.014 5.587 0.604) 5.619 3.728 ( 0.379 2.189 -6.054) 6.449 3.919 ( -0.928 1.723 -2.804) 3.419 4.220 ( -0.370 -1.882 0.587) 2.006 4.278 ( 0.599 1.514 0.365) 1.668 4.530 ( 0.257 -0.427 -1.479) 1.560 4.639 ( 0.219 -7.099 0.120) 7.103 5.034 ( -1.154 0.399 -1.100) 1.643 5.271 ( 0.155 -2.690 -2.843) 3.917 5.440 ( -0.492 4.002 -0.982) 4.149 5.566 ( -0.075 4.298 -1.872) 4.689 5.689 ( -0.593 -1.693 -2.431) 3.021 6.191 ( -0.311 -10.073 -1.263) 10.156 7.052 ( 0.337 0.396 0.224) 0.566 7.434 ( -3.163 -7.392 -3.228) 8.665 7.505 ( 0.651 -0.097 -0.239) 0.700 7.624 ( -1.641 1.333 -0.778) 2.252 7.640 ( 0.464 -0.508 -1.017) 1.228 8.063 ( -2.918 -31.024 -9.112) 32.466 8.270 ( 0.284 8.336 0.310) 8.347 8.489 ( -0.288 -3.164 0.934) 3.312 9.186 ( 0.055 -1.566 0.157) 1.575 9.294 ( 0.510 -0.228 -1.442) 1.547 10.240 ( -1.799 -18.431 -3.129) 18.781 10.720 ( 6.644 -0.089 -6.629) 9.386 12.112 ( 0.271 1.195 0.537) 1.338 12.271 ( -1.003 1.590 -0.128) 1.884 12.306 ( -0.352 0.348 -0.274) 0.566 12.387 ( -1.518 3.042 1.601) 3.758 15.954 ( -0.047 0.442 1.620) 1.680 16.133 ( -1.122 3.352 2.066) 4.094 16.212 ( -0.437 -2.387 -0.379) 2.456 16.458 ( -1.618 -7.426 -2.534) 8.011 18.259 ( 7.378 1.455 -3.077) 8.125 18.441 ( 4.975 3.085 -3.402) 6.770======================= Grid point 135 (60/150) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 5.376 -9.907 2.570) 11.561 0.880 ( 3.918 -3.630 8.356) 9.917 1.567 ( 2.252 -15.572 7.157) 17.285 1.684 ( 0.668 -0.119 7.168) 7.200 1.820 ( -3.433 -2.464 0.833) 4.307 1.976 ( -3.600 -10.516 11.925) 16.301 2.152 ( -2.154 -2.579 1.837) 3.830 2.297 ( -1.244 1.709 4.898) 5.335 2.388 ( -2.755 0.133 0.520) 2.807 2.498 ( -4.631 5.069 -1.458) 7.019 2.743 ( 4.657 3.304 6.486) 8.641 2.897 ( 10.147 0.844 4.588) 11.168 3.148 ( -6.209 -3.152 -1.165) 7.060 3.447 ( -0.689 2.809 1.689) 3.349 3.706 ( 3.981 1.535 -4.222) 6.002 3.869 ( -0.484 4.200 -1.717) 4.563 4.177 ( -1.109 8.728 0.722) 8.828 4.267 ( -0.991 -3.841 0.368) 3.984 4.587 ( -1.308 -6.403 -2.747) 7.089 4.802 ( 0.460 -9.526 0.161) 9.539 5.024 ( -1.190 -0.774 -1.932) 2.398 5.287 ( 0.317 5.430 -2.365) 5.931 5.360 ( 0.081 0.628 -2.102) 2.195 5.494 ( 0.917 3.294 0.459) 3.450 5.680 ( -0.367 1.153 -1.887) 2.241 6.382 ( -0.042 -10.710 -0.917) 10.750 7.051 ( 0.259 -0.041 -0.244) 0.358 7.440 ( -0.516 2.605 0.292) 2.671 7.465 ( -0.128 3.760 -0.453) 3.789 7.590 ( -0.488 1.563 0.132) 1.643 7.641 ( -0.601 -0.226 -1.286) 1.437 8.102 ( 0.341 9.221 -0.145) 9.228 8.558 ( -1.632 -14.446 -2.725) 14.791 8.570 ( -3.279 -16.152 -4.723) 17.145 9.217 ( 0.095 -1.555 -0.317) 1.590 9.295 ( 0.473 0.492 -1.004) 1.213 10.475 ( 0.410 -5.228 0.281) 5.252 10.822 ( -2.333 -12.491 -11.235) 16.962 12.089 ( 0.714 1.721 0.086) 1.865 12.215 ( -1.259 3.513 0.918) 3.843 12.297 ( -0.377 0.374 -0.035) 0.532 12.336 ( -0.110 1.974 0.858) 2.155 15.950 ( -0.002 0.210 1.482) 1.496 16.079 ( -1.226 2.079 2.227) 3.284 16.261 ( 0.504 -2.659 0.790) 2.820 16.539 ( -2.948 -4.088 -4.283) 6.614 18.266 ( 3.959 1.742 -2.740) 5.120 18.396 ( 4.170 4.973 -3.021) 7.159======================= Grid point 136 (61/150) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 0.709 -5.276 1.107) 5.437 1.102 ( 6.636 -13.124 3.470) 15.110 1.591 ( -2.405 7.394 5.948) 9.789 1.736 ( 2.929 -5.274 13.053) 14.380 1.781 ( -3.405 3.052 2.265) 5.103 2.081 ( -5.737 9.829 4.530) 12.249 2.163 ( -4.304 0.605 0.631) 4.391 2.297 ( 1.346 -8.500 5.174) 10.041 2.396 ( -2.128 -1.253 1.501) 2.890 2.530 ( -0.897 -9.113 0.518) 9.172 2.723 ( 2.586 1.967 8.887) 9.462 2.995 ( 9.676 -4.323 3.070) 11.033 3.100 ( -4.817 0.041 -3.735) 6.095 3.469 ( -3.086 -4.326 0.444) 5.333 3.675 ( 0.344 8.420 -4.568) 9.586 3.752 ( 4.757 6.318 2.023) 8.164 4.023 ( -3.160 5.217 -1.044) 6.188 4.336 ( 0.102 -3.678 1.178) 3.864 4.711 ( -2.066 -8.949 -3.537) 9.841 4.934 ( 0.169 -4.017 0.345) 4.035 5.056 ( 0.400 -3.066 -1.938) 3.649 5.135 ( 0.131 8.279 -2.923) 8.781 5.371 ( 0.369 0.282 -0.839) 0.959 5.455 ( 0.735 2.069 0.386) 2.229 5.656 ( -0.087 0.982 -1.890) 2.132 6.551 ( 0.409 -7.664 -0.806) 7.717 7.055 ( 0.037 -0.250 -0.542) 0.598 7.332 ( -0.288 6.615 0.375) 6.632 7.435 ( 0.463 0.830 -0.046) 0.951 7.566 ( -0.202 0.590 0.280) 0.683 7.641 ( -0.098 -0.075 -0.071) 0.142 7.972 ( 0.252 5.235 -0.590) 5.275 8.653 ( -0.101 -4.396 0.600) 4.438 8.885 ( -2.624 -14.670 -3.143) 15.230 9.222 ( 0.976 1.861 -1.042) 2.346 9.292 ( 0.021 -0.584 -0.372) 0.693 10.485 ( 0.939 2.149 -0.003) 2.346 11.033 ( -3.480 -11.869 -7.003) 14.214 12.064 ( 0.652 1.536 -0.262) 1.689 12.149 ( -0.705 2.715 1.309) 3.095 12.290 ( -0.191 0.180 0.066) 0.271 12.312 ( -0.030 0.883 0.295) 0.932 15.948 ( -0.027 0.120 1.356) 1.362 16.047 ( -0.893 0.923 2.312) 2.645 16.303 ( 0.641 -1.163 1.514) 2.014 16.569 ( -1.954 -2.165 -4.358) 5.244 18.255 ( 1.393 1.250 -2.363) 3.015 18.333 ( 2.363 4.026 -2.519) 5.304======================= Grid point 137 (62/150) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( 0.299 -1.772 -1.388) 2.271 1.342 ( -0.654 -1.138 2.658) 2.964 1.424 ( -2.072 0.662 3.947) 4.506 1.711 ( -1.937 3.029 5.193) 6.316 1.858 ( -2.555 6.943 9.611) 12.129 1.899 ( 4.226 -7.499 9.953) 13.159 2.183 ( -3.485 -4.595 -0.209) 5.770 2.333 ( -0.655 3.727 1.732) 4.162 2.393 ( 2.625 0.335 3.855) 4.676 2.629 ( 0.160 -1.203 1.703) 2.091 2.705 ( -3.099 2.099 7.649) 8.516 3.010 ( 1.393 4.038 -0.858) 4.357 3.271 ( 0.693 -4.751 -0.382) 4.816 3.456 ( 0.095 -1.191 -1.092) 1.619 3.525 ( -5.988 -2.930 -2.580) 7.148 3.722 ( 7.655 5.460 3.567) 10.056 3.944 ( -3.105 1.058 -3.409) 4.731 4.383 ( 0.712 -0.535 1.465) 1.714 4.865 ( -0.878 -9.219 -4.703) 10.387 4.959 ( 0.776 1.802 0.440) 2.011 4.975 ( 0.581 5.753 -0.599) 5.814 5.140 ( 0.186 -2.648 -3.147) 4.117 5.348 ( 0.037 1.856 -0.316) 1.883 5.430 ( -0.015 0.922 0.028) 0.923 5.645 ( 0.239 0.006 -1.905) 1.919 6.629 ( 0.087 -0.110 -0.898) 0.909 7.058 ( 0.017 -0.193 -0.643) 0.671 7.261 ( 0.212 0.316 0.613) 0.722 7.439 ( 0.135 -1.233 -0.205) 1.257 7.569 ( -0.288 -0.837 0.359) 0.955 7.639 ( -0.050 0.356 0.439) 0.567 7.924 ( 0.125 0.127 -0.748) 0.768 8.698 ( -0.063 -0.251 0.406) 0.481 9.030 ( 0.035 -1.202 -0.631) 1.358 9.191 ( 0.345 -0.078 -2.210) 2.238 9.310 ( -0.014 -1.050 0.006) 1.050 10.453 ( 0.100 1.393 -0.464) 1.472 11.134 ( 0.651 -0.746 -4.616) 4.721 12.052 ( 0.045 -0.264 -0.177) 0.321 12.121 ( -0.120 0.108 1.046) 1.058 12.288 ( -0.002 -0.084 0.068) 0.108 12.304 ( -0.046 0.055 0.221) 0.232 15.946 ( -0.157 0.162 1.301) 1.320 16.038 ( -0.345 -0.108 2.387) 2.414 16.311 ( -0.289 0.390 1.612) 1.683 16.588 ( 0.672 -0.938 -4.221) 4.376 18.238 ( -0.479 0.722 -2.218) 2.381 18.295 ( 1.059 1.070 -2.288) 2.739======================= Grid point 138 (63/150) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( -1.081 6.892 -0.859) 7.029 1.121 ( -9.488 11.087 5.314) 15.530 1.557 ( 0.821 -5.233 5.218) 7.435 1.655 ( -1.873 2.171 6.707) 7.295 1.836 ( 0.399 -3.786 6.473) 7.510 2.095 ( 4.830 -5.916 5.038) 9.150 2.196 ( 0.160 10.169 4.592) 11.159 2.265 ( -0.445 -4.753 2.682) 5.476 2.416 ( 4.063 2.114 3.815) 5.961 2.607 ( -2.554 4.946 5.245) 7.649 2.615 ( 1.737 3.028 2.166) 4.108 2.852 ( -10.057 6.144 -1.729) 11.912 3.267 ( 2.751 -2.926 2.123) 4.543 3.523 ( -1.403 5.324 1.804) 5.794 3.563 ( -2.077 -2.321 -2.980) 4.311 3.786 ( 1.418 -11.073 -2.875) 11.527 3.955 ( 2.974 -3.764 -0.285) 4.806 4.359 ( -0.079 3.316 0.790) 3.409 4.795 ( 0.630 9.565 -1.899) 9.773 4.920 ( -0.056 4.683 0.098) 4.684 5.089 ( -0.883 -10.081 -3.424) 10.683 5.141 ( 0.914 -0.566 -2.438) 2.664 5.327 ( 0.739 0.841 -0.727) 1.335 5.429 ( -0.326 -1.074 0.567) 1.258 5.656 ( 0.562 -1.161 -1.808) 2.220 6.554 ( -0.328 7.450 -0.838) 7.504 7.057 ( 0.057 0.326 -0.498) 0.598 7.323 ( 0.649 -5.744 0.474) 5.800 7.480 ( -0.950 -3.336 -0.380) 3.489 7.584 ( -0.935 -1.164 0.355) 1.534 7.636 ( 0.419 -0.244 0.115) 0.499 7.967 ( 0.050 -4.887 -0.705) 4.938 8.659 ( -0.190 4.261 0.597) 4.306 8.934 ( 2.460 10.847 -3.778) 11.747 9.223 ( -0.789 -1.813 -0.972) 2.203 9.321 ( -0.566 -0.403 -0.527) 0.873 10.445 ( 0.199 -0.535 0.075) 0.576 11.052 ( 5.076 11.673 -7.122) 14.586 12.069 ( -0.731 -1.522 -0.348) 1.724 12.151 ( 0.446 -3.275 1.252) 3.534 12.292 ( 0.146 -0.299 -0.034) 0.334 12.310 ( -0.072 -0.867 0.393) 0.955 15.945 ( -0.187 0.015 1.317) 1.330 16.049 ( 0.126 -0.922 2.403) 2.577 16.295 ( -0.894 1.049 1.495) 2.034 16.595 ( 2.828 1.350 -4.593) 5.560 18.219 ( -1.830 0.214 -2.104) 2.796 18.306 ( 0.457 -1.791 -2.494) 3.104======================= Grid point 139 (64/150) =======================q-point: (-0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( -4.032 10.808 2.642) 11.834 0.896 ( -8.103 6.850 8.768) 13.765 1.573 ( -4.495 9.776 6.095) 12.366 1.618 ( 1.109 6.514 5.152) 8.379 1.807 ( 2.697 9.593 3.787) 10.660 1.959 ( 1.911 1.133 9.383) 9.642 2.196 ( 0.159 2.171 -0.485) 2.231 2.323 ( 0.479 0.544 6.787) 6.825 2.423 ( -0.923 -4.508 4.250) 6.264 2.600 ( 3.408 -0.172 3.284) 4.735 2.627 ( 3.722 -4.010 2.977) 6.228 2.745 ( -11.011 -1.766 -1.742) 11.287 3.326 ( -4.074 10.744 4.247) 12.250 3.385 ( 3.827 -5.996 2.040) 7.400 3.643 ( -0.102 -6.059 -4.865) 7.771 3.894 ( 0.492 -2.559 -4.022) 4.793 4.133 ( 3.046 -9.869 1.314) 10.412 4.287 ( -0.235 4.115 0.207) 4.127 4.627 ( -0.376 8.414 -1.700) 8.592 4.789 ( 0.048 9.253 -0.006) 9.253 5.081 ( -1.437 1.314 -1.934) 2.745 5.293 ( 0.067 -1.479 -2.739) 3.114 5.348 ( 1.435 -8.024 -2.685) 8.582 5.462 ( 0.475 -2.677 1.113) 2.938 5.685 ( 0.598 -1.571 -1.786) 2.453 6.386 ( 0.049 10.686 -0.964) 10.729 7.049 ( -0.013 0.366 -0.149) 0.395 7.431 ( 1.206 -4.769 0.070) 4.920 7.514 ( -2.532 -1.426 -0.142) 2.910 7.610 ( -0.515 -2.596 -0.161) 2.652 7.651 ( 0.330 -0.547 -1.056) 1.234 8.092 ( 0.406 -8.577 -0.329) 8.593 8.562 ( 0.057 6.586 0.534) 6.608 8.674 ( 1.601 20.106 -10.381) 22.684 9.220 ( -0.378 1.345 -0.316) 1.432 9.315 ( -1.132 0.311 -1.154) 1.646 10.467 ( 0.019 -0.735 0.551) 0.919 10.780 ( 8.121 22.078 -11.505) 26.187 12.091 ( -0.843 -1.594 0.163) 1.811 12.229 ( 0.414 -4.025 0.484) 4.075 12.300 ( 0.252 -0.387 -0.242) 0.521 12.340 ( -0.317 -2.915 0.944) 3.080 15.946 ( -0.173 -0.194 1.395) 1.419 16.078 ( 0.542 -1.872 2.526) 3.190 16.265 ( -1.010 1.693 0.871) 2.155 16.562 ( 3.591 4.614 -5.097) 7.757 18.199 ( -2.300 0.122 -1.735) 2.883 18.353 ( 0.618 -3.069 -2.955) 4.305======================= Grid point 140 (65/150) =======================q-point: (-0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.524 ( -8.107 6.999 7.101) 12.851 0.757 ( -0.660 12.055 10.674) 16.115 1.030 ( -2.328 28.518 5.150) 29.073 1.606 ( 2.303 0.284 10.545) 10.797 1.853 ( 0.575 -4.640 4.378) 6.405 1.970 ( -1.949 -0.565 10.526) 10.720 2.135 ( -1.553 3.096 -0.455) 3.493 2.250 ( 0.614 7.415 6.410) 9.821 2.515 ( -3.581 -6.152 -0.338) 7.126 2.654 ( 5.621 -0.654 2.281) 6.102 2.706 ( -3.098 -0.839 -0.732) 3.292 2.730 ( 0.553 -1.692 1.125) 2.106 3.130 ( -2.973 7.461 9.588) 12.507 3.532 ( 1.610 -6.732 0.970) 6.990 3.736 ( 0.210 -4.330 -5.979) 7.385 3.936 ( -0.152 -2.842 -3.285) 4.346 4.217 ( 0.704 3.457 0.309) 3.541 4.263 ( 1.091 -2.104 0.472) 2.417 4.527 ( 0.358 1.726 -1.325) 2.205 4.638 ( -0.115 6.542 -0.015) 6.543 5.054 ( -1.246 0.418 -0.876) 1.579 5.271 ( 0.605 1.709 -2.930) 3.446 5.452 ( -0.894 -3.061 -0.867) 3.304 5.563 ( 1.233 -5.748 -2.192) 6.274 5.697 ( 0.267 1.498 -2.483) 2.912 6.193 ( 0.424 10.056 -1.275) 10.146 7.048 ( 0.131 -0.203 0.299) 0.384 7.468 ( 0.780 5.373 -3.903) 6.686 7.505 ( -1.495 0.387 0.210) 1.559 7.633 ( 0.624 1.784 -1.631) 2.496 7.652 ( -1.961 -1.688 -0.536) 2.642 8.104 ( 1.145 32.435 -11.837) 34.546 8.272 ( -0.945 -5.386 -0.683) 5.510 8.490 ( -0.144 3.492 0.819) 3.590 9.186 ( -0.099 1.768 0.130) 1.775 9.298 ( -0.605 0.513 -1.512) 1.707 10.272 ( -0.927 21.084 -5.926) 21.921 10.602 ( 9.607 1.688 -1.333) 9.844 12.112 ( -0.483 -1.200 0.594) 1.424 12.277 ( 0.128 -1.321 -0.150) 1.336 12.308 ( 0.235 -0.342 -0.455) 0.616 12.409 ( -1.524 -4.464 0.701) 4.769 15.952 ( -0.152 -0.427 1.570) 1.634 16.130 ( 0.845 -3.254 2.475) 4.174 16.223 ( -0.931 2.003 -0.435) 2.252 16.463 ( 2.095 8.249 -3.242) 9.107 18.186 ( 0.837 0.205 -0.760) 1.149 18.407 ( 1.435 -2.304 -3.369) 4.326======================= Grid point 142 (66/150) =======================q-point: ( 0.12 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.470 ( 5.202 -0.000 7.191) 8.875 0.637 ( 18.478 -0.000 6.794) 19.687 0.927 ( 1.135 -0.000 9.835) 9.900 1.710 ( 2.428 -0.000 14.416) 14.619 1.833 ( -3.549 0.000 0.826) 3.643 2.015 ( -4.737 0.000 0.786) 4.802 2.024 ( -5.207 0.000 18.118) 18.851 2.171 ( 2.935 -0.000 -0.262) 2.947 2.514 ( -4.685 0.000 -4.506) 6.500 2.665 ( 3.771 -0.000 0.032) 3.771 2.730 ( -0.604 0.000 0.430) 0.741 2.813 ( 4.404 -0.000 5.421) 6.984 3.148 ( 5.730 -0.000 9.189) 10.830 3.585 ( -0.825 0.000 0.884) 1.209 3.722 ( -3.018 0.000 -7.721) 8.290 3.926 ( -1.726 0.000 -3.218) 3.652 4.217 ( 0.704 -0.000 0.697) 0.990 4.280 ( 0.658 -0.000 0.076) 0.662 4.542 ( -0.187 0.000 -1.318) 1.331 4.570 ( -0.413 0.000 0.021) 0.414 5.038 ( -0.245 0.000 0.049) 0.250 5.232 ( -1.097 0.000 -4.471) 4.603 5.524 ( 0.148 -0.000 -0.321) 0.353 5.530 ( -0.590 0.000 0.410) 0.719 5.652 ( -0.542 0.000 -3.080) 3.128 6.085 ( -0.906 0.000 -1.110) 1.433 7.064 ( 0.388 -0.000 0.391) 0.551 7.206 ( 0.342 -0.000 -0.483) 0.592 7.501 ( 0.024 -0.000 0.503) 0.503 7.623 ( -1.627 0.000 -1.546) 2.244 7.652 ( 1.878 -0.000 0.365) 1.913 7.801 ( -0.245 0.000 -0.380) 0.452 8.359 ( 0.206 -0.000 0.294) 0.359 8.459 ( -0.241 0.000 0.916) 0.947 9.173 ( 0.166 -0.000 0.392) 0.425 9.297 ( 1.288 -0.000 -1.554) 2.019 10.046 ( 0.193 -0.000 0.255) 0.320 10.771 ( 4.954 -0.000 -7.041) 8.609 12.127 ( 0.565 -0.000 0.702) 0.902 12.276 ( -1.310 0.000 -0.097) 1.314 12.306 ( -0.529 0.000 -0.288) 0.602 12.405 ( -1.828 0.000 1.792) 2.560 15.961 ( -0.013 0.000 1.671) 1.671 16.168 ( -3.780 0.000 0.998) 3.909 16.178 ( 0.270 -0.000 -0.799) 0.843 16.361 ( -0.420 0.000 1.862) 1.909 18.321 ( 5.500 -0.000 -5.924) 8.083 18.525 ( 9.644 -0.000 -5.778) 11.242======================= Grid point 143 (67/150) =======================q-point: ( 0.25 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( 10.832 -5.633 4.506) 13.014 0.878 ( 6.376 -3.747 9.659) 12.165 1.087 ( 3.260 -27.882 1.728) 28.125 1.693 ( -0.958 2.176 14.706) 14.897 1.815 ( -3.991 1.017 1.329) 4.328 1.946 ( -0.845 2.608 10.948) 11.286 2.072 ( -2.085 -5.203 4.735) 7.337 2.234 ( -0.953 -3.879 2.236) 4.577 2.402 ( -3.995 3.900 -1.952) 5.915 2.623 ( -1.946 8.972 1.131) 9.250 2.780 ( 4.014 -4.715 1.132) 6.295 2.919 ( 3.215 -5.208 4.335) 7.500 3.129 ( 4.285 4.884 6.094) 8.908 3.530 ( -2.418 5.435 -0.656) 5.985 3.718 ( -0.223 -1.406 -5.239) 5.429 3.906 ( -0.100 0.719 -2.328) 2.438 4.214 ( -0.544 -0.613 0.601) 1.016 4.278 ( -0.644 2.500 -0.117) 2.584 4.519 ( -1.558 -0.078 -2.036) 2.565 4.643 ( 0.334 -7.641 0.131) 7.649 5.020 ( -0.391 1.099 -0.774) 1.400 5.266 ( 0.026 -3.919 -2.757) 4.792 5.436 ( 0.267 5.058 -1.095) 5.181 5.557 ( -0.737 2.678 -1.155) 3.008 5.675 ( -0.666 -1.742 -2.190) 2.877 6.181 ( -0.708 -10.444 -0.954) 10.511 7.059 ( 0.568 0.550 0.080) 0.795 7.392 ( -1.743 -9.271 -1.589) 9.567 7.513 ( 0.679 -0.124 -0.465) 0.833 7.598 ( -1.746 0.410 -0.977) 2.042 7.646 ( 0.716 1.761 -0.296) 1.924 8.006 ( -2.780 -25.315 -5.087) 25.970 8.275 ( 0.302 8.380 0.246) 8.389 8.486 ( -0.303 -3.096 0.956) 3.254 9.188 ( 0.076 -1.419 0.196) 1.434 9.306 ( 1.560 0.068 -1.253) 2.002 10.213 ( -1.244 -16.625 -1.615) 16.749 10.754 ( 0.431 2.690 -7.376) 7.863 12.122 ( 0.947 1.133 0.607) 1.596 12.252 ( -1.380 1.628 0.435) 2.178 12.299 ( -0.481 0.273 -0.212) 0.592 12.374 ( -0.796 2.085 1.483) 2.680 15.957 ( 0.055 0.449 1.602) 1.665 16.110 ( -2.530 2.427 1.977) 4.025 16.212 ( 0.485 -2.903 -0.384) 2.968 16.422 ( -2.511 -5.555 -0.602) 6.126 18.325 ( 3.039 1.983 -5.046) 6.216 18.535 ( 8.105 5.358 -6.301) 11.581======================= Grid point 144 (68/150) =======================q-point: ( 0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( 2.568 -3.033 2.079) 4.485 1.002 ( 9.990 -6.034 6.561) 13.389 1.612 ( 1.808 -15.343 5.769) 16.491 1.694 ( -2.435 -1.476 10.599) 10.975 1.754 ( -5.689 -1.388 1.013) 5.942 1.951 ( -1.200 -5.702 7.491) 9.491 2.147 ( 0.391 -3.719 4.906) 6.168 2.282 ( -3.562 2.188 3.068) 5.185 2.352 ( -0.859 -1.489 1.792) 2.483 2.444 ( -2.957 4.306 -0.897) 5.300 2.829 ( 5.390 3.657 7.308) 9.790 3.000 ( -1.160 -2.182 0.566) 2.535 3.106 ( 4.672 1.565 1.296) 5.095 3.428 ( -2.446 2.254 0.832) 3.428 3.735 ( 1.435 -0.226 -5.491) 5.680 3.875 ( 1.513 3.602 0.152) 3.910 4.142 ( -3.495 9.739 -0.555) 10.362 4.257 ( -0.605 -4.465 0.804) 4.577 4.563 ( -1.169 -5.805 -2.355) 6.373 4.808 ( 0.276 -9.325 -0.062) 9.330 5.013 ( 0.111 -0.789 -0.990) 1.271 5.290 ( 0.817 6.578 -2.315) 7.022 5.352 ( -0.499 -0.894 -2.313) 2.530 5.503 ( 0.229 2.640 0.170) 2.656 5.670 ( -0.391 0.856 -1.892) 2.114 6.381 ( 0.111 -11.229 -0.665) 11.249 7.055 ( 0.345 0.208 -0.309) 0.508 7.435 ( -0.525 3.110 0.075) 3.155 7.474 ( 1.836 2.844 -0.206) 3.391 7.587 ( -0.062 1.684 0.696) 1.823 7.628 ( -0.897 -1.008 -1.047) 1.708 8.106 ( 0.214 9.140 -0.390) 9.151 8.486 ( -3.972 -26.778 -5.776) 27.680 8.562 ( -0.116 -5.228 0.909) 5.307 9.219 ( 0.201 -1.772 0.079) 1.785 9.308 ( 1.513 1.017 -0.814) 1.996 10.484 ( 0.877 -8.302 -0.479) 8.362 10.742 ( -5.602 -8.925 -8.140) 13.315 12.103 ( 1.130 1.842 0.280) 2.180 12.200 ( -1.033 3.169 1.087) 3.506 12.292 ( -0.279 0.235 -0.053) 0.369 12.335 ( -0.290 1.767 0.717) 1.929 15.953 ( 0.048 0.257 1.449) 1.472 16.062 ( -1.609 1.491 2.170) 3.085 16.274 ( 1.173 -2.955 0.509) 3.220 16.486 ( -3.316 -4.196 -2.421) 5.870 18.297 ( 1.591 2.352 -3.551) 4.547 18.457 ( 4.510 7.150 -4.870) 9.756======================= Grid point 145 (69/150) =======================q-point: ( 0.50 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 1.407 -5.038 -0.054) 5.232 1.213 ( 7.170 -9.133 3.957) 12.267 1.560 ( -2.814 9.290 4.052) 10.519 1.747 ( -1.958 0.909 7.413) 7.721 1.794 ( 0.050 -6.876 9.919) 12.069 2.009 ( -5.136 6.780 6.392) 10.640 2.101 ( -3.620 2.811 0.830) 4.657 2.316 ( -0.042 -9.054 1.633) 9.201 2.384 ( -0.661 -0.530 1.821) 2.009 2.527 ( 0.384 -9.267 1.422) 9.383 2.765 ( 0.465 6.066 8.019) 10.066 3.044 ( -1.570 -6.806 -3.036) 7.616 3.136 ( 8.938 0.305 3.439) 9.582 3.417 ( -4.348 -2.664 -0.406) 5.116 3.651 ( -1.326 11.798 -2.676) 12.171 3.844 ( 6.224 1.604 0.813) 6.479 3.955 ( -5.485 5.815 -2.305) 8.320 4.343 ( 0.279 -4.365 1.307) 4.565 4.683 ( -0.758 -8.579 -2.609) 8.998 4.936 ( 0.004 -4.020 0.139) 4.022 5.061 ( 0.876 -4.601 -1.563) 4.938 5.135 ( 0.521 9.234 -2.491) 9.578 5.368 ( -0.439 0.090 -1.501) 1.567 5.462 ( 0.179 2.229 0.039) 2.237 5.651 ( -0.054 0.736 -1.925) 2.062 6.556 ( 0.514 -7.650 -0.670) 7.696 7.056 ( 0.228 -0.080 -0.549) 0.600 7.327 ( -0.551 6.149 0.197) 6.177 7.451 ( 1.585 1.918 0.125) 2.491 7.565 ( 0.040 0.445 0.417) 0.611 7.640 ( -0.165 -0.378 0.184) 0.451 7.974 ( 0.190 5.342 -0.730) 5.395 8.654 ( 0.061 -4.376 0.614) 4.420 8.843 ( -2.214 -16.261 -2.653) 16.624 9.237 ( 1.094 1.170 -0.332) 1.635 9.297 ( 0.799 0.296 -0.312) 0.907 10.493 ( 0.201 2.806 -0.850) 2.939 10.968 ( -3.410 -15.200 -5.354) 16.473 12.074 ( 0.812 2.043 0.038) 2.199 12.143 ( -0.487 2.281 1.239) 2.641 12.288 ( -0.074 0.067 0.055) 0.114 12.311 ( -0.156 0.834 0.296) 0.899 15.950 ( -0.119 0.220 1.310) 1.333 16.039 ( -0.816 0.425 2.327) 2.502 16.315 ( 0.624 -0.516 1.279) 1.514 16.535 ( -1.493 -3.875 -3.420) 5.380 18.261 ( 0.492 2.017 -2.545) 3.284 18.360 ( 1.831 5.244 -3.501) 6.566======================= Grid point 146 (70/150) =======================q-point: (-0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( -0.051 0.131 -1.354) 1.361 1.310 ( -2.856 11.537 2.872) 12.227 1.444 ( 2.271 -6.884 4.363) 8.461 1.704 ( -0.602 2.862 6.678) 7.290 1.832 ( -3.190 4.495 7.385) 9.216 1.975 ( 1.467 -10.104 10.844) 14.895 2.135 ( -1.778 -5.866 0.433) 6.145 2.315 ( -1.559 4.286 1.288) 4.740 2.446 ( 2.275 -2.777 2.550) 4.403 2.625 ( -1.724 -1.900 1.019) 2.761 2.670 ( -2.000 4.092 7.837) 9.065 3.070 ( 5.780 11.152 0.620) 12.576 3.246 ( -4.175 -1.914 -0.645) 4.637 3.448 ( -0.177 -1.614 -1.804) 2.427 3.475 ( -0.553 -6.993 -0.870) 7.069 3.788 ( -1.000 7.300 1.646) 7.550 3.920 ( 2.440 -2.565 -2.389) 4.271 4.389 ( -0.328 -0.260 0.953) 1.041 4.850 ( 0.239 -9.598 -3.904) 10.365 4.965 ( 0.023 0.067 0.232) 0.243 4.978 ( -0.155 7.371 -1.386) 7.502 5.143 ( 1.020 -2.152 -2.661) 3.571 5.345 ( -0.168 1.196 -0.490) 1.303 5.430 ( 0.008 1.179 0.014) 1.179 5.645 ( 0.279 -0.260 -1.878) 1.916 6.628 ( 0.101 0.406 -0.884) 0.978 7.059 ( 0.328 -0.117 -0.657) 0.744 7.263 ( -0.196 -0.244 0.584) 0.662 7.441 ( 0.105 -0.344 -0.286) 0.459 7.565 ( -0.188 -0.269 0.450) 0.558 7.640 ( 0.006 0.202 0.467) 0.509 7.925 ( 0.105 0.177 -0.774) 0.801 8.698 ( -0.063 -0.107 0.415) 0.434 9.021 ( -0.745 -4.074 -0.752) 4.209 9.198 ( 1.005 2.009 -2.102) 3.077 9.310 ( 0.004 -0.678 0.033) 0.679 10.453 ( 0.019 1.248 -0.500) 1.344 11.132 ( 0.476 -4.062 -4.597) 6.153 12.054 ( 0.150 0.406 -0.171) 0.465 12.123 ( 0.003 -0.222 1.004) 1.028 12.288 ( 0.013 -0.163 0.074) 0.180 12.303 ( -0.063 0.016 0.216) 0.226 15.947 ( -0.202 0.174 1.281) 1.308 16.038 ( -0.313 -0.449 2.398) 2.460 16.311 ( -0.251 0.958 1.661) 1.934 16.589 ( 0.661 -2.570 -4.297) 5.050 18.229 ( -0.007 1.541 -1.820) 2.385 18.303 ( 0.581 1.527 -2.642) 3.106======================= Grid point 147 (71/150) =======================q-point: (-0.25 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( -1.454 5.975 0.769) 6.198 1.029 ( -4.102 14.997 4.420) 16.164 1.583 ( 0.845 -5.512 6.278) 8.398 1.647 ( -0.941 3.685 9.016) 9.785 1.847 ( -0.643 -4.556 3.978) 6.082 2.147 ( 1.235 -2.878 3.399) 4.622 2.221 ( 0.040 3.326 6.244) 7.074 2.245 ( -1.096 -4.819 1.555) 5.181 2.463 ( 0.962 4.500 1.701) 4.906 2.603 ( -2.186 1.018 9.390) 9.694 2.635 ( -0.231 -0.142 1.352) 1.379 2.762 ( 0.839 15.240 0.147) 15.264 3.262 ( -3.566 -4.367 -1.377) 5.803 3.524 ( 0.919 4.662 2.769) 5.500 3.546 ( 0.843 -2.302 -2.364) 3.405 3.779 ( -1.048 -9.376 -3.512) 10.067 4.008 ( 3.539 -5.513 0.806) 6.601 4.353 ( -0.888 3.374 0.440) 3.517 4.783 ( -1.394 9.396 -3.246) 10.038 4.924 ( 0.362 4.595 0.483) 4.634 5.070 ( -0.690 -5.840 -3.086) 6.641 5.145 ( 0.384 -3.479 -2.944) 4.574 5.343 ( 1.386 0.189 -0.248) 1.421 5.431 ( 0.373 -1.200 0.751) 1.464 5.660 ( 0.380 -1.291 -1.785) 2.236 6.549 ( -0.085 7.481 -0.924) 7.539 7.057 ( 0.039 0.453 -0.532) 0.700 7.332 ( 0.304 -6.226 0.595) 6.262 7.460 ( -1.548 -2.056 -0.601) 2.643 7.574 ( -0.539 -1.117 0.334) 1.284 7.641 ( 0.224 -0.361 -0.073) 0.431 7.968 ( 0.172 -4.948 -0.578) 4.985 8.657 ( -0.280 4.267 0.592) 4.317 8.943 ( 0.035 10.735 -3.935) 11.433 9.215 ( -0.029 -1.820 -1.410) 2.303 9.310 ( -0.833 0.259 -0.597) 1.057 10.454 ( 0.826 -0.883 0.520) 1.316 11.092 ( 2.398 9.245 -8.271) 12.635 12.060 ( -0.314 -1.106 -0.528) 1.265 12.157 ( 0.022 -3.417 1.236) 3.634 12.294 ( 0.008 -0.380 0.024) 0.381 12.310 ( -0.034 -0.831 0.355) 0.904 15.945 ( -0.133 -0.003 1.319) 1.326 16.053 ( -0.168 -1.238 2.400) 2.706 16.289 ( -0.313 1.385 1.706) 2.220 16.613 ( 1.026 0.241 -5.410) 5.512 18.206 ( 0.619 1.015 -1.157) 1.659 18.308 ( 0.559 -1.801 -2.442) 3.085======================= Grid point 148 (72/150) =======================q-point: (-0.12 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( -0.098 14.124 3.225) 14.488 0.849 ( -1.625 3.485 8.959) 9.749 1.539 ( -0.962 15.122 6.407) 16.451 1.655 ( 1.464 0.949 6.225) 6.465 1.838 ( 0.322 6.619 2.955) 7.256 1.988 ( -1.135 5.998 11.385) 12.918 2.182 ( -1.749 3.429 -0.172) 3.853 2.318 ( -2.580 -2.659 4.647) 5.943 2.410 ( -1.113 -0.403 2.101) 2.412 2.589 ( -7.369 -4.021 -0.826) 8.435 2.672 ( 3.152 -2.906 4.941) 6.541 2.743 ( 9.570 -1.752 4.495) 10.717 3.244 ( -6.754 5.711 0.251) 8.848 3.438 ( 1.620 -2.647 2.996) 4.314 3.657 ( 3.281 -4.634 -4.034) 6.965 3.885 ( -0.652 -3.466 -3.387) 4.890 4.170 ( 1.572 -8.761 1.374) 9.007 4.280 ( -0.788 3.737 0.155) 3.822 4.610 ( -1.170 7.607 -2.587) 8.119 4.794 ( 0.516 9.526 0.263) 9.543 5.051 ( -1.849 0.925 -2.325) 3.111 5.289 ( 0.117 -3.867 -2.535) 4.625 5.358 ( 0.737 -3.600 -2.217) 4.291 5.477 ( 1.161 -3.480 0.865) 3.769 5.687 ( 0.060 -1.477 -1.837) 2.358 6.385 ( 0.003 10.463 -1.055) 10.516 7.049 ( 0.045 0.252 -0.204) 0.328 7.444 ( 0.340 -4.841 -0.041) 4.853 7.479 ( -1.998 -1.748 -0.166) 2.660 7.600 ( -0.728 -2.042 -0.257) 2.183 7.649 ( -0.172 -0.238 -1.247) 1.281 8.097 ( 0.386 -9.063 -0.119) 9.072 8.562 ( -0.165 6.271 0.653) 6.307 8.642 ( -2.762 21.909 -10.309) 24.370 9.217 ( 0.022 1.382 -0.454) 1.455 9.299 ( -0.644 0.080 -1.149) 1.320 10.470 ( 0.194 1.993 0.635) 2.101 10.841 ( 3.352 17.186 -12.949) 21.778 12.084 ( -0.072 -1.635 0.038) 1.637 12.228 ( -0.652 -3.900 0.582) 3.997 12.301 ( -0.109 -0.452 -0.118) 0.480 12.337 ( -0.306 -2.400 1.008) 2.621 15.947 ( -0.098 -0.191 1.440) 1.455 16.085 ( -0.296 -2.255 2.398) 3.304 16.258 ( -0.281 2.178 0.935) 2.387 16.576 ( -0.249 3.922 -5.762) 6.975 18.207 ( 3.497 0.057 -0.890) 3.609 18.362 ( 1.645 -3.405 -2.742) 4.671======================= Grid point 151 (73/150) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( 6.310 -0.000 4.860) 7.965 0.908 ( 15.861 -0.000 4.266) 16.425 0.942 ( -1.504 0.000 6.534) 6.705 1.758 ( -0.647 0.000 17.500) 17.512 1.789 ( -2.753 0.000 1.814) 3.297 1.933 ( -6.206 0.000 0.904) 6.271 2.024 ( 1.261 -0.000 14.591) 14.646 2.215 ( 2.932 -0.000 -0.914) 3.071 2.431 ( -5.919 0.000 -2.188) 6.310 2.711 ( 1.433 -0.000 -0.418) 1.493 2.731 ( 1.426 -0.000 0.462) 1.499 2.868 ( 1.726 -0.000 8.072) 8.254 3.265 ( 7.817 -0.000 5.335) 9.464 3.575 ( -0.738 0.000 1.063) 1.294 3.649 ( -4.985 0.000 -7.591) 9.082 3.908 ( -0.026 0.000 -3.130) 3.130 4.221 ( -0.253 0.000 -0.259) 0.362 4.287 ( 0.373 -0.000 -0.285) 0.469 4.512 ( -3.245 0.000 -2.179) 3.909 4.565 ( -0.190 0.000 0.225) 0.294 5.039 ( 0.297 -0.000 0.386) 0.487 5.214 ( -0.056 0.000 -3.773) 3.774 5.525 ( 0.118 -0.000 -0.338) 0.358 5.527 ( 0.034 -0.000 0.797) 0.798 5.638 ( -0.405 0.000 -2.932) 2.960 6.068 ( -1.001 0.000 -0.813) 1.290 7.072 ( 0.587 -0.000 0.129) 0.601 7.211 ( 0.441 -0.000 -0.452) 0.632 7.502 ( -0.042 0.000 0.453) 0.455 7.595 ( -1.621 0.000 -1.891) 2.491 7.682 ( 2.081 -0.000 0.601) 2.166 7.799 ( -0.023 0.000 -0.192) 0.194 8.361 ( 0.035 -0.000 0.202) 0.205 8.456 ( -0.353 0.000 0.846) 0.916 9.175 ( 0.060 -0.000 0.291) 0.297 9.318 ( 2.060 -0.000 -1.339) 2.457 10.049 ( 0.158 -0.000 0.276) 0.318 10.781 ( -1.013 0.000 -7.635) 7.702 12.140 ( 1.076 -0.000 0.833) 1.361 12.257 ( -1.081 0.000 0.431) 1.164 12.298 ( -0.433 0.000 -0.315) 0.535 12.389 ( -1.025 0.000 1.541) 1.851 15.965 ( 0.059 -0.000 1.594) 1.595 16.115 ( -3.693 0.000 1.781) 4.100 16.185 ( 0.815 -0.000 -0.664) 1.051 16.354 ( -0.997 0.000 1.709) 1.979 18.356 ( 1.976 -0.000 -5.743) 6.073 18.640 ( 7.356 -0.000 -9.786) 12.242======================= Grid point 152 (74/150) =======================q-point: ( 0.38 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( 2.682 -4.391 2.567) 5.750 1.000 ( 6.684 -5.278 7.680) 11.468 1.135 ( 3.082 -24.200 1.026) 24.417 1.677 ( -5.128 3.561 14.692) 15.964 1.765 ( -2.967 1.807 2.075) 4.046 1.983 ( 3.021 -0.021 6.886) 7.520 2.081 ( 1.248 -6.520 8.052) 10.435 2.214 ( -3.417 0.972 0.993) 3.689 2.348 ( -2.123 1.461 -0.149) 2.581 2.598 ( -1.757 10.553 1.673) 10.829 2.831 ( 2.250 -6.873 -0.567) 7.255 2.947 ( 0.365 -3.043 7.176) 7.803 3.234 ( 7.933 6.786 3.964) 11.167 3.474 ( -5.089 5.274 -2.248) 7.666 3.705 ( -0.201 -4.033 -3.749) 5.510 3.904 ( 0.193 0.134 -2.371) 2.383 4.206 ( -0.649 -0.288 -0.039) 0.711 4.260 ( -1.671 4.676 -0.634) 5.006 4.485 ( -1.959 -1.490 -1.919) 3.121 4.649 ( 0.329 -7.949 0.106) 7.957 5.022 ( 0.698 1.331 -0.028) 1.503 5.262 ( 0.316 -4.357 -2.711) 5.141 5.443 ( 1.049 5.945 -1.338) 6.183 5.543 ( -0.973 1.770 -0.502) 2.081 5.664 ( -0.198 -1.583 -1.955) 2.523 6.171 ( -0.456 -10.975 -0.599) 11.001 7.066 ( 0.264 0.691 -0.286) 0.793 7.377 ( -0.162 -10.380 -0.867) 10.418 7.525 ( 1.101 -0.619 -0.316) 1.302 7.572 ( -1.518 -0.296 -0.921) 1.800 7.659 ( 1.008 3.605 0.354) 3.760 7.965 ( -1.681 -20.693 -2.893) 20.961 8.282 ( 0.593 7.834 0.094) 7.857 8.484 ( -0.265 -3.216 0.913) 3.354 9.189 ( 0.088 -1.444 0.252) 1.468 9.331 ( 2.027 0.263 -1.043) 2.295 10.197 ( -0.667 -15.433 -1.050) 15.483 10.717 ( -3.278 4.048 -6.324) 8.193 12.139 ( 1.071 1.115 0.802) 1.742 12.238 ( -0.660 1.607 0.598) 1.837 12.294 ( -0.228 0.191 -0.210) 0.364 12.366 ( -0.696 1.737 1.169) 2.206 15.962 ( 0.052 0.453 1.483) 1.552 16.077 ( -2.387 1.385 2.097) 3.466 16.223 ( 1.191 -3.235 -0.435) 3.474 16.388 ( -2.289 -3.801 0.468) 4.461 18.344 ( 1.421 1.945 -4.805) 5.375 18.611 ( 4.325 6.308 -9.016) 11.824======================= Grid point 153 (75/150) =======================q-point: ( 0.50 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( 0.320 -2.598 0.727) 2.717 1.154 ( 8.709 -4.936 6.120) 11.733 1.607 ( -6.589 -17.145 1.936) 18.469 1.674 ( -0.535 -6.631 14.617) 16.060 1.688 ( -2.643 4.120 1.801) 5.215 1.990 ( 3.941 -0.837 6.155) 7.356 2.146 ( -4.356 -1.915 4.118) 6.293 2.219 ( -3.075 1.636 0.908) 3.599 2.382 ( 3.313 -5.182 4.247) 7.475 2.405 ( -2.394 4.966 0.624) 5.548 2.910 ( -2.664 6.646 5.179) 8.837 2.938 ( 2.082 -3.638 -0.024) 4.192 3.225 ( 8.429 1.382 3.160) 9.107 3.372 ( -5.716 1.464 -0.213) 5.905 3.735 ( 0.394 0.187 -5.213) 5.231 3.897 ( 1.180 0.755 -0.242) 1.421 4.085 ( -3.752 11.364 -1.424) 12.052 4.255 ( 0.137 -4.906 1.042) 5.017 4.550 ( 0.161 -6.036 -1.230) 6.162 4.810 ( 0.146 -9.079 -0.236) 9.083 5.023 ( 1.413 -0.817 -0.051) 1.633 5.300 ( 1.172 7.970 -2.515) 8.439 5.338 ( -0.777 -1.675 -2.605) 3.193 5.501 ( -0.522 2.101 0.059) 2.166 5.663 ( -0.038 0.770 -1.867) 2.020 6.383 ( 0.341 -11.689 -0.403) 11.701 7.057 ( 0.022 0.219 -0.479) 0.527 7.423 ( -0.976 3.790 -0.529) 3.949 7.516 ( 3.744 2.131 0.221) 4.314 7.590 ( 0.150 2.728 0.797) 2.847 7.613 ( -0.885 -2.384 -0.326) 2.564 8.105 ( -0.230 8.433 -0.822) 8.476 8.440 ( -0.636 -26.273 -3.900) 26.568 8.563 ( 0.042 -5.382 0.889) 5.455 9.224 ( 0.410 -1.998 0.431) 2.084 9.330 ( 1.641 1.310 -0.635) 2.194 10.500 ( 1.793 -10.783 -1.611) 11.049 10.641 ( -6.236 -6.752 -5.382) 10.651 12.119 ( 0.893 1.923 0.501) 2.179 12.191 ( -0.469 3.111 1.056) 3.318 12.290 ( 0.007 0.160 -0.048) 0.167 12.331 ( -0.378 1.593 0.635) 1.756 15.956 ( -0.131 0.345 1.328) 1.378 16.046 ( -1.162 0.874 2.253) 2.682 16.295 ( 1.442 -2.854 0.190) 3.203 16.441 ( -2.349 -4.361 -1.183) 5.092 18.305 ( 0.812 2.589 -3.481) 4.413 18.489 ( 1.485 7.971 -6.601) 10.456======================= Grid point 154 (76/150) =======================q-point: ( 0.62 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( 1.259 -4.986 -1.109) 5.261 1.305 ( 3.801 -5.909 4.956) 8.598 1.542 ( -0.528 9.552 3.311) 10.123 1.749 ( -0.344 0.659 1.834) 1.979 1.763 ( -5.519 -9.916 12.343) 16.767 1.970 ( -3.094 9.385 9.344) 13.600 2.092 ( 2.104 1.155 3.762) 4.462 2.297 ( -2.597 -10.783 -0.920) 11.130 2.373 ( -1.439 -0.381 1.111) 1.857 2.546 ( 1.434 -6.939 2.263) 7.438 2.762 ( -2.632 6.392 5.658) 8.933 3.048 ( 2.497 -8.479 -0.775) 8.873 3.241 ( 1.952 3.207 2.949) 4.775 3.363 ( -0.272 -4.385 0.162) 4.396 3.639 ( 0.340 12.670 -1.717) 12.790 3.864 ( -6.045 6.115 -3.389) 9.243 3.918 ( 3.469 -0.473 -0.220) 3.508 4.345 ( -0.234 -4.109 1.096) 4.259 4.686 ( 1.813 -8.486 -1.197) 8.760 4.935 ( -0.145 -4.120 -0.045) 4.123 5.074 ( 1.389 -2.617 -1.534) 3.336 5.137 ( 0.417 7.972 -2.208) 8.282 5.355 ( -0.846 -0.073 -1.992) 2.165 5.460 ( -0.473 2.050 -0.109) 2.107 5.647 ( 0.178 0.594 -1.921) 2.018 6.562 ( 0.414 -7.507 -0.543) 7.538 7.058 ( 0.219 -0.222 -0.574) 0.653 7.318 ( -0.684 5.774 0.048) 5.814 7.474 ( 1.332 3.442 0.061) 3.692 7.572 ( 0.859 0.550 0.491) 1.132 7.637 ( -0.346 -0.636 0.476) 0.867 7.974 ( 0.046 5.342 -0.862) 5.411 8.657 ( 0.102 -4.318 0.611) 4.362 8.821 ( 0.207 -16.312 -2.307) 16.476 9.249 ( 0.592 0.603 0.047) 0.846 9.311 ( 1.024 1.210 -0.270) 1.608 10.486 ( -0.868 2.822 -1.538) 3.329 10.927 ( -0.691 -17.403 -4.179) 17.911 12.085 ( 0.490 2.418 0.214) 2.476 12.140 ( -0.309 2.018 1.173) 2.354 12.288 ( 0.047 0.063 0.039) 0.088 12.310 ( -0.141 0.733 0.310) 0.809 15.950 ( -0.308 0.253 1.254) 1.316 16.034 ( -0.432 0.095 2.370) 2.411 16.323 ( 0.044 0.132 1.095) 1.104 16.517 ( 0.064 -5.003 -2.867) 5.767 18.263 ( 0.452 2.235 -2.409) 3.317 18.364 ( -0.133 5.402 -4.303) 6.907======================= Grid point 155 (77/150) =======================q-point: (-0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( -0.012 2.116 -1.037) 2.357 1.298 ( 0.441 13.286 2.255) 13.483 1.477 ( 0.346 -6.200 5.540) 8.322 1.724 ( 1.403 2.510 6.371) 6.990 1.797 ( -3.654 1.896 8.363) 9.322 1.960 ( -4.680 -10.974 6.197) 13.444 2.162 ( 3.575 -4.745 4.877) 7.686 2.299 ( -0.981 3.463 1.490) 3.896 2.445 ( -2.474 -4.416 -0.540) 5.090 2.609 ( -0.069 -0.330 2.440) 2.463 2.683 ( 0.481 3.049 8.905) 9.425 3.115 ( -2.715 9.633 -1.930) 10.193 3.198 ( 1.267 4.424 0.225) 4.607 3.465 ( 0.235 -4.790 -0.936) 4.887 3.487 ( 4.731 -6.314 0.615) 7.914 3.727 ( -5.964 4.726 -1.581) 7.772 3.971 ( 3.087 -2.122 -0.633) 3.799 4.379 ( -1.076 0.015 0.745) 1.309 4.859 ( 1.988 -6.771 -3.435) 7.849 4.959 ( -0.859 4.562 -1.175) 4.789 4.971 ( -0.181 0.891 -0.283) 0.952 5.151 ( 0.622 -0.351 -2.795) 2.885 5.343 ( 0.057 -0.195 -0.351) 0.406 5.430 ( 0.002 0.740 0.055) 0.742 5.645 ( 0.297 -0.373 -1.871) 1.931 6.628 ( 0.164 0.687 -0.871) 1.121 7.062 ( 0.175 0.039 -0.658) 0.682 7.259 ( -0.384 -0.693 0.549) 0.963 7.440 ( -0.068 0.767 -0.319) 0.833 7.566 ( 0.180 0.437 0.442) 0.647 7.640 ( -0.078 -0.052 0.474) 0.484 7.924 ( 0.090 0.125 -0.767) 0.783 8.698 ( -0.054 0.100 0.414) 0.429 9.014 ( 0.147 -4.379 -0.693) 4.436 9.204 ( 0.279 2.741 -2.150) 3.494 9.310 ( 0.009 0.085 0.031) 0.091 10.452 ( 0.037 0.368 -0.501) 0.623 11.130 ( 0.654 -4.988 -4.582) 6.805 12.055 ( 0.006 0.822 -0.185) 0.843 12.124 ( -0.169 -0.413 0.997) 1.092 12.289 ( -0.019 -0.144 0.077) 0.164 12.303 ( -0.015 -0.035 0.214) 0.217 15.946 ( -0.208 0.081 1.277) 1.296 16.038 ( -0.335 -0.523 2.403) 2.483 16.311 ( -0.177 0.971 1.673) 1.942 16.589 ( 0.540 -2.700 -4.327) 5.129 18.232 ( 0.910 1.390 -1.619) 2.320 18.300 ( -0.221 1.153 -2.822) 3.056======================= Grid point 156 (78/150) =======================q-point: (-0.12 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( -0.588 5.195 1.802) 5.530 1.027 ( 2.458 16.171 3.450) 16.717 1.599 ( -0.644 -5.727 7.063) 9.115 1.674 ( 1.897 4.327 10.448) 11.467 1.828 ( -3.037 -4.267 2.486) 5.798 2.141 ( -3.504 -11.314 4.656) 12.726 2.202 ( -1.507 1.889 0.178) 2.423 2.268 ( 1.038 5.424 6.633) 8.631 2.443 ( -3.734 1.676 0.471) 4.120 2.553 ( -3.206 7.217 2.280) 8.219 2.667 ( 2.452 0.068 8.035) 8.401 2.853 ( 8.942 9.323 2.601) 13.177 3.185 ( -5.728 -3.291 -3.241) 7.358 3.506 ( -2.435 6.279 1.386) 6.876 3.613 ( 6.732 -4.654 -1.533) 8.326 3.749 ( -1.979 -10.372 -2.213) 10.789 4.042 ( 0.669 -5.191 0.366) 5.247 4.340 ( -0.856 3.239 0.592) 3.402 4.749 ( -2.103 9.242 -3.734) 10.187 4.930 ( 0.314 4.228 0.491) 4.268 5.058 ( -0.149 -1.077 -2.523) 2.747 5.141 ( -0.015 -5.923 -3.120) 6.694 5.361 ( 1.167 -0.293 -0.334) 1.249 5.442 ( 0.840 -1.624 0.698) 1.957 5.660 ( 0.111 -1.210 -1.822) 2.190 6.548 ( 0.192 7.566 -0.901) 7.621 7.056 ( -0.028 0.474 -0.550) 0.726 7.334 ( -0.090 -6.678 0.540) 6.700 7.439 ( -0.959 -0.960 -0.422) 1.421 7.569 ( -0.266 -0.862 0.252) 0.937 7.642 ( 0.017 -0.202 -0.156) 0.256 7.970 ( 0.244 -5.092 -0.527) 5.125 8.654 ( -0.243 4.337 0.588) 4.384 8.923 ( -1.627 12.340 -3.606) 12.958 9.215 ( 0.444 -1.929 -1.513) 2.491 9.298 ( -0.618 0.719 -0.507) 1.075 10.469 ( 1.123 -1.467 0.502) 1.915 11.084 ( -1.107 9.350 -8.208) 12.491 12.058 ( 0.186 -1.122 -0.504) 1.244 12.156 ( -0.554 -3.159 1.289) 3.456 12.292 ( -0.180 -0.327 0.071) 0.380 12.311 ( 0.052 -0.845 0.307) 0.901 15.946 ( -0.070 -0.047 1.344) 1.347 16.053 ( -0.599 -1.252 2.356) 2.734 16.293 ( 0.275 1.449 1.700) 2.251 16.602 ( -1.035 0.659 -5.259) 5.400 18.228 ( 2.484 0.058 -1.409) 2.856 18.313 ( 0.992 -2.548 -2.366) 3.616======================= Grid point 160 (79/150) =======================q-point: ( 0.38 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.648 ( 2.890 -0.000 2.704) 3.957 0.897 ( -5.483 0.000 1.749) 5.755 1.098 ( 8.963 -0.000 7.903) 11.949 1.755 ( -5.031 0.000 14.797) 15.629 1.767 ( -0.838 0.000 2.737) 2.862 1.863 ( -3.302 0.000 1.796) 3.758 2.096 ( 3.412 -0.000 11.740) 12.226 2.243 ( 1.168 -0.000 -1.907) 2.237 2.356 ( -3.225 0.000 1.734) 3.661 2.715 ( 0.041 -0.000 0.553) 0.554 2.754 ( 0.871 -0.000 -0.984) 1.314 2.903 ( 0.766 -0.000 9.393) 9.424 3.367 ( 3.577 -0.000 2.380) 4.296 3.566 ( -2.956 0.000 -6.015) 6.702 3.570 ( -0.272 0.000 1.255) 1.284 3.906 ( 0.581 -0.000 -3.628) 3.675 4.204 ( -1.729 0.000 -2.122) 2.737 4.288 ( -0.217 0.000 -0.717) 0.749 4.466 ( -1.902 0.000 -1.146) 2.221 4.566 ( 0.187 -0.000 0.477) 0.512 5.048 ( 0.765 -0.000 0.783) 1.094 5.215 ( 1.040 -0.000 -3.273) 3.435 5.525 ( 0.026 -0.000 -0.370) 0.371 5.529 ( -0.166 0.000 0.570) 0.594 5.632 ( 0.346 -0.000 -2.535) 2.558 6.058 ( -0.173 0.000 -0.474) 0.504 7.076 ( -0.122 0.000 -0.530) 0.544 7.215 ( 0.292 -0.000 -0.452) 0.539 7.502 ( -0.095 0.000 0.404) 0.416 7.574 ( -0.698 0.000 -1.667) 1.808 7.710 ( 1.505 -0.000 0.672) 1.648 7.800 ( 0.202 -0.000 0.012) 0.203 8.363 ( 0.267 -0.000 0.002) 0.267 8.453 ( -0.329 0.000 0.787) 0.853 9.175 ( -0.097 0.000 0.185) 0.209 9.346 ( 1.999 -0.000 -1.156) 2.310 10.051 ( 0.007 -0.000 0.297) 0.297 10.727 ( -4.061 0.000 -6.940) 8.041 12.157 ( 0.755 -0.000 1.074) 1.312 12.250 ( -0.097 0.000 0.344) 0.357 12.294 ( -0.034 0.000 -0.249) 0.251 12.380 ( -0.540 0.000 1.224) 1.337 15.968 ( -0.032 0.000 1.435) 1.435 16.075 ( -2.347 0.000 2.162) 3.191 16.198 ( 1.095 -0.000 -0.588) 1.243 16.340 ( -1.289 0.000 1.614) 2.066 18.367 ( 1.319 -0.000 -5.146) 5.313 18.686 ( 2.120 -0.000 -11.408) 11.604======================= Grid point 161 (80/150) =======================q-point: ( 0.50 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( -3.162 -1.984 1.239) 3.933 1.059 ( -0.409 -26.199 1.991) 26.278 1.190 ( 3.855 -4.994 6.942) 9.380 1.627 ( -5.408 3.023 12.776) 14.199 1.751 ( 0.326 2.172 2.973) 3.697 2.013 ( -2.896 -8.756 0.475) 9.235 2.107 ( 0.127 1.022 9.940) 9.993 2.170 ( -0.862 4.249 3.413) 5.518 2.356 ( 2.504 -1.374 1.582) 3.265 2.583 ( -0.887 11.653 2.468) 11.945 2.828 ( -2.010 -5.464 -2.487) 6.331 2.981 ( 2.014 -3.147 9.097) 9.834 3.333 ( 0.051 3.203 1.343) 3.474 3.392 ( -1.102 7.919 -2.082) 8.262 3.701 ( 0.557 -4.561 -2.650) 5.304 3.898 ( -0.229 0.421 -3.080) 3.117 4.196 ( -0.548 -1.621 -0.862) 1.916 4.235 ( -1.259 6.363 -0.693) 6.524 4.470 ( 0.291 -2.647 -0.506) 2.711 4.653 ( 0.201 -7.923 0.047) 7.925 5.039 ( 1.457 1.040 0.595) 1.886 5.263 ( 0.537 -3.858 -2.860) 4.833 5.459 ( 1.535 6.320 -1.743) 6.733 5.526 ( -1.225 1.444 -0.040) 1.894 5.661 ( 0.388 -1.387 -1.818) 2.320 6.167 ( 0.145 -11.239 -0.328) 11.245 7.062 ( -0.595 0.611 -0.697) 1.101 7.379 ( 0.485 -10.238 -0.811) 10.281 7.540 ( 0.433 -3.430 0.174) 3.462 7.558 ( 0.622 0.546 -1.027) 1.319 7.675 ( 1.006 4.551 0.645) 4.705 7.947 ( -0.118 -18.323 -2.158) 18.450 8.293 ( 0.956 6.827 -0.112) 6.895 8.483 ( -0.174 -3.399 0.875) 3.514 9.191 ( 0.087 -1.716 0.279) 1.741 9.355 ( 1.415 0.396 -0.953) 1.751 10.190 ( -0.076 -14.980 -0.914) 15.008 10.648 ( -4.366 4.088 -5.374) 8.040 12.151 ( 0.309 1.082 1.033) 1.527 12.236 ( 0.242 1.722 0.381) 1.780 12.293 ( 0.200 0.152 -0.155) 0.295 12.362 ( -0.158 1.742 1.028) 2.029 15.963 ( -0.238 0.495 1.328) 1.437 16.055 ( -1.148 0.785 2.292) 2.681 16.242 ( 1.470 -3.643 -0.613) 3.976 16.360 ( -1.731 -2.764 0.991) 3.409 18.351 ( 0.992 2.064 -4.391) 4.952 18.620 ( -0.239 6.259 -10.376) 12.120======================= Grid point 162 (81/150) =======================q-point: (-0.38 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -1.459 -4.798 -0.238) 5.021 1.255 ( 2.321 -2.791 6.990) 7.877 1.498 ( -6.949 -16.167 4.229) 18.098 1.673 ( -0.246 1.788 3.837) 4.240 1.731 ( 3.812 -6.188 10.078) 12.425 2.018 ( -7.858 -6.163 -2.299) 10.248 2.080 ( 1.568 3.264 10.807) 11.398 2.212 ( 0.372 1.604 2.325) 2.849 2.380 ( -1.284 5.507 2.112) 6.036 2.445 ( 3.726 -5.183 3.909) 7.485 2.817 ( -6.774 2.891 -1.677) 7.554 3.035 ( 6.771 0.423 6.452) 9.362 3.260 ( -9.389 1.306 -1.444) 9.589 3.337 ( 5.929 0.225 2.931) 6.618 3.727 ( -0.257 0.701 -4.870) 4.927 3.902 ( -0.228 -1.655 -1.851) 2.494 4.043 ( -1.389 13.528 -0.868) 13.627 4.264 ( 0.748 -4.945 0.980) 5.097 4.564 ( 1.805 -6.744 -0.018) 6.981 4.810 ( -0.124 -8.896 -0.381) 8.905 5.051 ( 2.233 -0.971 0.452) 2.477 5.311 ( 0.960 10.282 -2.995) 10.752 5.322 ( -0.554 -2.584 -2.818) 3.864 5.489 ( -1.075 1.805 0.149) 2.106 5.662 ( 0.461 0.882 -1.835) 2.088 6.388 ( 0.313 -11.858 -0.267) 11.865 7.054 ( -0.299 -0.132 -0.556) 0.645 7.409 ( -0.636 3.845 -0.566) 3.938 7.568 ( 2.591 4.086 -0.164) 4.841 7.592 ( 0.429 0.408 0.131) 0.606 7.606 ( -0.020 -1.536 0.972) 1.818 8.097 ( -0.532 7.188 -1.151) 7.299 8.457 ( 3.888 -24.296 -3.448) 24.846 8.567 ( 0.314 -5.792 0.794) 5.855 9.231 ( 0.388 -2.165 0.491) 2.254 9.347 ( 0.739 1.324 -0.600) 1.630 10.528 ( 1.634 -4.470 -3.104) 5.682 10.555 ( -3.134 -14.323 -3.237) 15.014 12.127 ( -0.023 1.821 0.626) 1.926 12.191 ( 0.242 3.396 0.939) 3.532 12.291 ( 0.196 0.214 -0.087) 0.303 12.329 ( -0.052 1.602 0.658) 1.733 15.954 ( -0.434 0.388 1.259) 1.387 16.040 ( -0.229 0.572 2.344) 2.424 16.310 ( 0.320 -2.007 0.025) 2.033 16.422 ( 0.289 -5.263 -0.771) 5.327 18.308 ( 0.458 2.713 -3.277) 4.279 18.471 ( -1.900 7.558 -7.369) 10.726======================= Grid point 163 (82/150) =======================q-point: (-0.25 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( 0.435 -5.594 -1.757) 5.879 1.326 ( -2.713 -4.712 5.994) 8.093 1.550 ( -0.093 7.888 3.283) 8.544 1.684 ( -3.948 -8.194 1.933) 9.299 1.785 ( 0.972 1.057 11.268) 11.359 1.960 ( -0.112 9.805 7.724) 12.482 2.157 ( 4.450 0.586 7.694) 8.908 2.248 ( -3.432 -13.216 -1.233) 13.710 2.356 ( -0.814 -0.172 0.675) 1.071 2.570 ( 1.214 -4.581 2.309) 5.271 2.719 ( -4.476 1.312 3.607) 5.896 3.094 ( 2.204 -0.863 -0.852) 2.515 3.181 ( -6.263 -2.272 1.990) 6.953 3.435 ( 6.159 -5.227 3.249) 8.707 3.652 ( 1.513 10.471 -1.878) 10.745 3.773 ( -4.958 10.698 -3.522) 12.306 3.944 ( 0.444 -2.629 -1.576) 3.097 4.346 ( 0.127 -3.173 1.201) 3.395 4.724 ( 3.414 -8.834 -0.346) 9.477 4.931 ( -0.334 -4.316 -0.195) 4.333 5.093 ( 1.613 2.996 -2.026) 3.961 5.135 ( -0.087 4.274 -2.136) 4.779 5.338 ( -0.805 -0.335 -2.051) 2.229 5.449 ( -0.878 1.660 0.006) 1.878 5.648 ( 0.439 0.650 -1.896) 2.052 6.564 ( 0.041 -7.390 -0.537) 7.409 7.059 ( 0.047 -0.425 -0.549) 0.696 7.311 ( -0.190 5.613 0.061) 5.616 7.486 ( 0.416 4.128 0.058) 4.150 7.589 ( 1.077 1.309 0.221) 1.710 7.632 ( -0.486 -0.867 0.675) 1.201 7.972 ( -0.079 5.182 -0.901) 5.260 8.659 ( 0.028 -4.335 0.595) 4.376 8.842 ( 3.162 -14.724 -2.408) 15.251 9.251 ( -0.339 0.902 -0.149) 0.976 9.322 ( 0.608 1.376 -0.220) 1.521 10.466 ( -1.281 1.780 -1.443) 2.625 10.935 ( 2.977 -17.169 -4.235) 17.932 12.088 ( -0.164 2.482 0.140) 2.491 12.139 ( -0.123 2.152 1.217) 2.475 12.289 ( 0.091 0.133 -0.005) 0.161 12.309 ( -0.009 0.716 0.351) 0.798 15.947 ( -0.364 0.157 1.267) 1.328 16.036 ( -0.055 0.146 2.378) 2.383 16.320 ( -0.796 0.082 1.043) 1.315 16.527 ( 1.997 -4.725 -2.863) 5.875 18.264 ( 0.269 1.966 -2.379) 3.099 18.341 ( -1.703 4.447 -4.303) 6.418======================= Grid point 164 (83/150) =======================q-point: (-0.12 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( 0.450 2.696 -1.060) 2.932 1.321 ( 1.813 11.676 1.873) 11.963 1.466 ( -3.368 -6.048 5.247) 8.686 1.734 ( -2.063 -2.845 2.719) 4.443 1.805 ( 2.633 5.449 14.034) 15.283 1.905 ( -4.080 -8.816 5.400) 11.114 2.209 ( 0.433 -0.208 2.603) 2.647 2.305 ( 1.753 -0.126 3.611) 4.016 2.400 ( -2.903 -3.264 -0.191) 4.372 2.620 ( 0.516 0.201 1.947) 2.024 2.707 ( -0.074 0.379 9.449) 9.457 3.041 ( -4.506 1.576 -2.464) 5.372 3.242 ( 3.083 9.135 -0.416) 9.651 3.459 ( -0.334 -3.539 -0.810) 3.646 3.591 ( 7.720 -3.715 1.592) 8.714 3.631 ( -6.080 1.676 -1.562) 6.497 3.984 ( -1.023 -2.225 -1.909) 3.105 4.372 ( 0.059 0.448 1.298) 1.375 4.878 ( 1.007 1.957 -4.498) 5.007 4.948 ( 0.094 0.210 -0.226) 0.322 4.971 ( 0.139 -1.797 -0.015) 1.803 5.148 ( -0.148 1.544 -3.245) 3.596 5.346 ( 0.263 -1.486 -0.178) 1.520 5.430 ( -0.019 -0.131 0.070) 0.149 5.645 ( 0.256 -0.271 -1.897) 1.934 6.629 ( 0.151 0.569 -0.885) 1.063 7.061 ( -0.151 0.157 -0.645) 0.681 7.257 ( 0.038 -0.700 0.578) 0.909 7.439 ( -0.023 1.386 -0.238) 1.406 7.570 ( 0.069 0.923 0.349) 0.989 7.639 ( -0.137 -0.295 0.447) 0.553 7.924 ( 0.110 -0.003 -0.741) 0.749 8.698 ( -0.053 0.245 0.404) 0.475 9.022 ( 0.940 -2.459 -0.582) 2.696 9.198 ( -0.394 2.212 -2.247) 3.178 9.310 ( -0.009 0.803 0.003) 0.803 10.452 ( 0.118 -0.732 -0.466) 0.876 11.132 ( 0.829 -3.003 -4.601) 5.557 12.053 ( -0.098 0.777 -0.192) 0.807 12.122 ( -0.293 -0.369 1.039) 1.141 12.288 ( -0.032 -0.040 0.070) 0.087 12.304 ( 0.000 -0.065 0.219) 0.228 15.946 ( -0.164 -0.055 1.297) 1.308 16.038 ( -0.366 -0.295 2.393) 2.438 16.312 ( -0.215 0.415 1.624) 1.690 16.588 ( 0.551 -1.245 -4.251) 4.464 18.242 ( 0.672 0.475 -1.993) 2.156 18.291 ( 0.022 0.052 -2.492) 2.493======================= Grid point 169 (84/150) =======================q-point: (-0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( -2.643 0.000 1.816) 3.206 0.803 ( -7.530 0.000 1.363) 7.652 1.214 ( 5.172 -0.000 10.482) 11.688 1.650 ( -13.027 0.000 8.476) 15.542 1.777 ( 1.322 -0.000 3.400) 3.648 1.854 ( 1.460 -0.000 2.255) 2.686 2.136 ( -1.316 0.000 14.837) 14.895 2.239 ( -1.031 0.000 -2.511) 2.715 2.369 ( 3.857 -0.000 1.520) 4.146 2.717 ( -0.131 0.000 0.320) 0.346 2.748 ( -1.100 0.000 -1.005) 1.490 2.929 ( 0.141 -0.000 10.549) 10.550 3.320 ( -8.434 0.000 -3.575) 9.160 3.573 ( 0.263 -0.000 1.327) 1.352 3.596 ( 6.667 -0.000 -1.085) 6.755 3.906 ( 0.664 -0.000 -4.322) 4.373 4.174 ( -1.378 0.000 -2.942) 3.248 4.279 ( -0.602 0.000 -0.887) 1.072 4.461 ( 1.047 -0.000 0.301) 1.089 4.572 ( 0.402 -0.000 0.577) 0.703 5.061 ( 0.737 -0.000 0.946) 1.199 5.227 ( 1.475 -0.000 -3.225) 3.546 5.522 ( -0.952 0.000 0.388) 1.029 5.524 ( -0.051 0.000 -0.391) 0.394 5.637 ( 0.982 -0.000 -2.331) 2.530 6.063 ( 1.005 -0.000 -0.295) 1.048 7.066 ( -0.966 0.000 -0.962) 1.363 7.217 ( 0.007 -0.000 -0.475) 0.475 7.502 ( -0.102 0.000 0.394) 0.407 7.570 ( 0.453 -0.000 -1.388) 1.460 7.727 ( 0.790 -0.000 0.598) 0.991 7.804 ( 0.304 -0.000 0.109) 0.323 8.367 ( 0.234 -0.000 -0.271) 0.358 8.451 ( -0.187 0.000 0.771) 0.794 9.173 ( -0.219 0.000 0.133) 0.257 9.365 ( 0.782 -0.000 -1.206) 1.438 10.050 ( -0.170 0.000 0.305) 0.350 10.648 ( -4.784 0.000 -6.034) 7.700 12.162 ( -0.322 0.000 1.244) 1.285 12.254 ( 0.586 -0.000 0.037) 0.587 12.297 ( 0.358 -0.000 -0.217) 0.418 12.383 ( 0.876 -0.000 1.103) 1.409 15.968 ( -0.403 0.000 1.324) 1.384 16.059 ( -0.456 0.000 2.432) 2.474 16.211 ( 0.807 -0.000 -0.680) 1.055 16.327 ( -0.985 0.000 1.698) 1.964 18.374 ( 1.073 -0.000 -4.673) 4.795 18.659 ( -2.354 0.000 -12.411) 12.632======================= Grid point 170 (85/150) =======================q-point: (-0.38 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( -4.942 -2.699 1.958) 5.962 1.011 ( -5.981 -29.061 1.229) 29.696 1.259 ( 2.623 -0.989 8.745) 9.183 1.561 ( -7.697 -3.335 10.726) 13.617 1.780 ( 2.397 2.015 3.038) 4.363 1.933 ( -4.630 -2.122 0.739) 5.146 2.153 ( 0.925 -2.483 15.034) 15.265 2.171 ( 0.093 3.115 -0.135) 3.119 2.407 ( 3.753 -1.398 0.490) 4.035 2.582 ( -0.208 11.719 3.243) 12.161 2.781 ( -3.316 -2.263 -2.527) 4.744 3.029 ( 1.563 -6.235 9.402) 11.389 3.216 ( -10.139 2.499 -3.266) 10.941 3.456 ( 4.284 7.850 1.045) 9.004 3.711 ( 1.628 -2.484 -2.566) 3.925 3.891 ( 0.513 1.125 -3.682) 3.884 4.190 ( -0.105 -3.004 -0.776) 3.104 4.226 ( 0.244 6.037 -0.532) 6.065 4.486 ( 1.609 -2.791 0.376) 3.244 4.654 ( -0.081 -7.564 -0.080) 7.565 5.061 ( 1.309 0.288 0.699) 1.512 5.265 ( 0.535 -2.882 -3.163) 4.313 5.478 ( 1.584 5.890 -2.245) 6.500 5.509 ( -1.015 1.757 0.352) 2.059 5.667 ( 0.874 -1.351 -1.815) 2.425 6.172 ( 0.514 -10.958 -0.306) 10.974 7.050 ( -0.700 0.264 -0.594) 0.956 7.388 ( 1.097 -8.991 -0.912) 9.103 7.537 ( -0.362 -2.908 0.293) 2.945 7.582 ( 2.258 -1.905 -1.145) 3.169 7.688 ( 0.645 4.581 0.538) 4.658 7.956 ( 2.171 -18.839 -2.618) 19.144 8.306 ( 0.864 5.122 -0.580) 5.227 8.483 ( -0.026 -3.570 0.876) 3.676 9.192 ( 0.014 -2.097 0.236) 2.110 9.362 ( -0.179 0.419 -1.139) 1.227 10.194 ( 1.061 -15.687 -1.083) 15.760 10.578 ( -3.893 3.168 -4.346) 6.639 12.150 ( -0.741 1.010 1.094) 1.663 12.245 ( 0.801 1.718 0.156) 1.902 12.297 ( 0.316 0.209 -0.257) 0.458 12.370 ( 1.111 2.327 1.041) 2.781 15.960 ( -0.552 0.519 1.312) 1.515 16.055 ( 0.358 0.672 2.467) 2.582 16.257 ( 0.668 -3.807 -0.925) 3.974 16.348 ( -0.031 -2.907 1.268) 3.172 18.354 ( 0.574 2.303 -4.131) 4.764 18.565 ( -4.318 5.776 -10.905) 13.074======================= Grid point 171 (86/150) =======================q-point: (-0.25 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( -2.066 -7.041 0.281) 7.343 1.204 ( -10.491 -5.259 6.596) 13.463 1.483 ( 2.550 -11.166 7.048) 13.449 1.694 ( 1.976 2.601 3.653) 4.900 1.799 ( 0.663 -15.377 5.701) 16.413 1.881 ( -7.141 -2.313 3.146) 8.139 2.136 ( 2.613 3.178 5.421) 6.806 2.237 ( 2.011 0.365 6.430) 6.747 2.379 ( 0.430 6.650 3.421) 7.491 2.497 ( 2.591 -4.343 2.903) 5.831 2.721 ( -6.015 3.584 -1.914) 7.259 3.100 ( -11.615 -0.136 -0.592) 11.631 3.151 ( 6.958 -0.188 5.290) 8.742 3.400 ( 1.875 -0.491 2.312) 3.017 3.704 ( -1.479 2.098 -4.881) 5.515 3.892 ( -0.072 -1.267 -3.478) 3.702 4.046 ( 1.689 13.705 0.402) 13.814 4.277 ( 0.753 -4.769 0.700) 4.878 4.595 ( 2.265 -7.668 0.361) 8.003 4.804 ( -0.543 -8.826 -0.516) 8.857 5.082 ( 1.757 -1.401 0.163) 2.253 5.308 ( -0.262 -0.991 -2.740) 2.926 5.320 ( 0.972 10.450 -3.553) 11.081 5.473 ( -1.164 1.711 0.453) 2.118 5.668 ( 0.848 1.121 -1.796) 2.280 6.389 ( 0.030 -11.672 -0.388) 11.678 7.049 ( -0.091 -0.455 -0.373) 0.595 7.405 ( 0.212 3.921 -0.288) 3.937 7.568 ( -1.129 2.094 -0.084) 2.381 7.611 ( 0.223 1.456 0.895) 1.724 7.621 ( 2.229 0.393 -0.364) 2.292 8.089 ( -0.167 6.936 -1.078) 7.021 8.522 ( 5.149 -19.341 -3.688) 20.352 8.581 ( 2.158 -9.338 -0.638) 9.605 9.234 ( -0.103 -2.027 0.212) 2.041 9.347 ( -0.486 0.873 -0.756) 1.253 10.491 ( -2.332 1.910 -1.460) 3.349 10.591 ( 5.613 -22.684 -5.159) 23.931 12.121 ( -0.951 1.646 0.576) 1.986 12.201 ( 0.856 3.793 0.790) 3.967 12.294 ( 0.199 0.288 -0.203) 0.405 12.333 ( 0.348 2.039 0.766) 2.206 15.950 ( -0.468 0.321 1.306) 1.424 16.047 ( 0.506 0.726 2.401) 2.559 16.302 ( -1.279 -1.363 0.284) 1.891 16.448 ( 3.503 -5.983 -1.443) 7.081 18.302 ( -0.567 2.786 -3.348) 4.393 18.412 ( -3.908 5.951 -6.682) 9.764======================= Grid point 172 (87/150) =======================q-point: (-0.12 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( -0.431 -6.488 -1.705) 6.722 1.250 ( -9.067 -7.414 5.857) 13.095 1.546 ( -0.689 5.334 3.913) 6.651 1.663 ( -0.830 -2.907 3.820) 4.872 1.815 ( 0.299 2.384 9.561) 9.858 2.009 ( 4.598 8.828 6.859) 12.088 2.203 ( -1.684 -13.286 1.281) 13.454 2.235 ( 2.941 0.853 6.737) 7.400 2.363 ( 1.909 -0.398 1.416) 2.410 2.590 ( 1.085 -3.943 2.361) 4.722 2.657 ( -4.856 -2.836 3.086) 6.414 3.006 ( -10.202 -0.034 -2.448) 10.492 3.201 ( 4.645 -1.463 3.787) 6.169 3.508 ( 2.766 -6.870 3.499) 8.191 3.628 ( -4.388 3.267 -4.354) 6.991 3.752 ( 2.789 16.994 -1.773) 17.313 3.938 ( -0.034 -1.070 -1.850) 2.138 4.353 ( 0.448 -2.974 1.166) 3.225 4.771 ( 2.895 -9.346 -0.580) 9.801 4.925 ( -0.465 -4.550 -0.252) 4.580 5.103 ( 0.156 12.106 -3.255) 12.536 5.133 ( 0.615 -2.460 -1.826) 3.125 5.326 ( -0.261 -0.799 -1.545) 1.759 5.437 ( -0.821 1.267 0.282) 1.536 5.652 ( 0.586 0.889 -1.855) 2.139 6.561 ( -0.320 -7.405 -0.674) 7.442 7.058 ( 0.009 -0.374 -0.498) 0.622 7.314 ( 0.489 5.558 0.250) 5.585 7.488 ( -0.162 4.059 -0.043) 4.062 7.595 ( -0.397 1.514 0.151) 1.573 7.630 ( 0.210 -0.478 0.489) 0.716 7.969 ( -0.063 4.978 -0.832) 5.047 8.660 ( -0.057 -4.315 0.592) 4.355 8.892 ( 4.129 -12.467 -3.049) 13.482 9.239 ( -1.106 1.528 -0.574) 1.972 9.326 ( 0.010 0.987 -0.326) 1.040 10.449 ( -0.652 0.763 -0.703) 1.225 10.987 ( 5.304 -14.903 -5.457) 16.733 12.081 ( -0.740 2.094 -0.098) 2.223 12.142 ( 0.293 2.733 1.278) 3.032 12.290 ( 0.129 0.207 -0.044) 0.248 12.310 ( 0.010 0.812 0.389) 0.900 15.945 ( -0.278 0.036 1.305) 1.335 16.041 ( 0.152 0.488 2.383) 2.437 16.307 ( -1.147 -0.502 1.205) 1.738 16.558 ( 3.146 -3.207 -3.507) 5.699 18.252 ( -1.471 1.306 -2.736) 3.370 18.311 ( -0.788 2.728 -3.167) 4.253======================= Grid point 178 (88/150) =======================q-point: (-0.38 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( -6.285 0.000 2.908) 6.926 0.706 ( -6.217 0.000 3.963) 7.373 1.260 ( -5.848 0.000 7.528) 9.532 1.474 ( -8.806 0.000 10.570) 13.757 1.813 ( 2.534 -0.000 3.368) 4.215 1.905 ( 4.539 -0.000 1.753) 4.866 2.129 ( -4.447 0.000 18.312) 18.845 2.207 ( -2.500 0.000 -2.398) 3.464 2.438 ( 5.144 -0.000 -1.575) 5.379 2.697 ( -2.603 0.000 -1.203) 2.867 2.739 ( 0.048 -0.000 0.727) 0.728 2.951 ( -0.215 0.000 10.998) 11.000 3.168 ( -10.965 0.000 -3.702) 11.574 3.581 ( 0.521 -0.000 1.233) 1.338 3.695 ( 6.602 -0.000 -1.559) 6.784 3.918 ( 2.622 -0.000 -4.492) 5.202 4.156 ( -0.463 0.000 -2.420) 2.464 4.269 ( -0.510 0.000 -0.696) 0.863 4.484 ( 1.726 -0.000 0.371) 1.766 4.578 ( 0.309 -0.000 0.474) 0.566 5.070 ( 0.115 -0.000 0.741) 0.750 5.241 ( 1.328 -0.000 -3.460) 3.706 5.508 ( -0.833 0.000 0.700) 1.088 5.523 ( -0.046 0.000 -0.379) 0.382 5.648 ( 1.093 -0.000 -2.461) 2.693 6.081 ( 1.374 -0.000 -0.578) 1.490 7.051 ( -0.625 0.000 -0.587) 0.858 7.214 ( -0.212 0.000 -0.491) 0.535 7.501 ( -0.109 0.000 0.401) 0.416 7.577 ( 0.884 -0.000 -1.208) 1.498 7.735 ( 0.094 -0.000 0.216) 0.235 7.808 ( 0.262 -0.000 0.063) 0.270 8.365 ( -0.371 0.000 -0.617) 0.720 8.451 ( -0.009 0.000 0.810) 0.810 9.170 ( -0.243 0.000 0.163) 0.293 9.360 ( -1.078 0.000 -1.583) 1.915 10.048 ( -0.271 0.000 0.296) 0.402 10.573 ( -4.116 0.000 -4.134) 5.833 12.154 ( -1.086 0.000 1.181) 1.604 12.264 ( 0.741 -0.000 -0.033) 0.742 12.301 ( 0.332 -0.000 -0.391) 0.513 12.411 ( 2.545 -0.000 0.832) 2.678 15.963 ( -0.570 0.000 1.375) 1.489 16.071 ( 1.377 -0.000 2.770) 3.094 16.215 ( -0.137 0.000 -0.903) 0.913 16.323 ( -0.009 0.000 1.928) 1.928 18.377 ( 0.395 -0.000 -4.699) 4.716 18.569 ( -6.560 0.000 -12.672) 14.269======================= Grid point 179 (89/150) =======================q-point: (-0.25 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( -3.630 -3.795 4.749) 7.080 0.910 ( -8.632 -23.491 3.694) 25.298 1.243 ( -8.567 -11.535 5.135) 15.258 1.499 ( -1.345 -4.524 11.484) 12.416 1.816 ( 1.642 3.384 2.240) 4.378 1.920 ( 1.113 2.596 5.792) 6.444 2.153 ( -0.922 -3.018 2.316) 3.915 2.200 ( 0.369 -2.963 11.114) 11.508 2.463 ( 4.308 -0.075 -0.729) 4.369 2.584 ( -0.589 9.629 3.731) 10.344 2.733 ( -2.468 1.057 -1.940) 3.312 3.006 ( -9.323 -1.812 -0.173) 9.499 3.117 ( -0.977 -5.104 6.853) 8.600 3.494 ( 1.223 7.586 0.379) 7.694 3.734 ( 2.000 1.379 -3.489) 4.251 3.903 ( 2.188 2.165 -3.522) 4.678 4.190 ( 0.374 -3.215 -0.406) 3.262 4.236 ( 0.982 3.918 -0.342) 4.054 4.509 ( 1.394 -2.792 0.171) 3.125 4.650 ( -0.396 -6.941 -0.249) 6.957 5.074 ( 0.295 -0.522 0.276) 0.660 5.266 ( 0.512 -1.984 -3.325) 3.906 5.482 ( -0.669 2.457 -1.018) 2.742 5.514 ( 1.808 5.339 -1.166) 5.756 5.678 ( 1.201 -1.505 -1.915) 2.715 6.179 ( 0.583 -10.460 -0.569) 10.492 7.044 ( -0.046 -0.009 -0.079) 0.092 7.409 ( 2.189 -7.213 -1.162) 7.627 7.533 ( -0.310 -2.295 0.261) 2.331 7.609 ( 1.762 -3.212 -1.597) 3.996 7.693 ( -0.249 4.111 0.092) 4.119 8.000 ( 4.955 -22.221 -4.519) 23.211 8.311 ( 0.024 2.590 -1.649) 3.070 8.485 ( 0.112 -3.720 0.880) 3.824 9.192 ( -0.154 -2.278 0.128) 2.286 9.346 ( -1.633 0.174 -1.447) 2.189 10.220 ( 3.254 -18.573 -2.263) 18.991 10.523 ( -2.710 2.063 -2.164) 4.035 12.137 ( -1.222 1.010 0.958) 1.852 12.258 ( 0.927 1.487 0.084) 1.754 12.300 ( 0.286 0.264 -0.422) 0.574 12.394 ( 1.786 3.515 0.820) 4.027 15.955 ( -0.497 0.486 1.405) 1.568 16.073 ( 1.452 1.124 2.712) 3.275 16.254 ( -0.733 -3.070 -0.839) 3.266 16.369 ( 2.592 -4.895 0.674) 5.580 18.342 ( -1.840 2.785 -4.964) 5.982 18.463 ( -6.071 4.170 -8.919) 11.567======================= Grid point 180 (90/150) =======================q-point: (-0.12 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.776 ( -2.399 -8.191 1.712) 8.705 1.040 ( -13.117 -7.729 7.313) 16.891 1.547 ( 3.306 -4.413 8.373) 10.026 1.687 ( -7.858 -6.673 1.487) 10.416 1.757 ( 2.299 -16.054 3.302) 16.550 1.905 ( 3.013 1.160 8.503) 9.095 2.177 ( 2.177 1.042 1.301) 2.742 2.286 ( 2.138 -0.987 9.092) 9.392 2.404 ( 1.594 6.554 4.698) 8.220 2.539 ( 3.040 -2.736 2.878) 5.001 2.642 ( -4.149 4.452 -1.141) 6.192 2.920 ( -12.571 0.587 -1.822) 12.716 3.267 ( 6.811 -3.293 6.903) 10.241 3.399 ( -2.250 -0.537 1.032) 2.533 3.669 ( -1.782 4.663 -5.005) 7.069 3.890 ( 0.896 0.850 -4.080) 4.263 4.085 ( 3.155 11.783 1.024) 12.241 4.286 ( 0.320 -4.494 0.397) 4.523 4.622 ( 1.297 -8.387 -0.339) 8.494 4.794 ( -0.605 -8.933 -0.448) 8.965 5.095 ( 0.028 -1.622 -0.899) 1.855 5.299 ( -0.115 -1.232 -2.802) 3.063 5.331 ( 1.571 11.676 -3.281) 12.230 5.461 ( -0.609 1.884 0.883) 2.168 5.678 ( 0.911 1.400 -1.772) 2.434 6.388 ( -0.046 -11.207 -0.684) 11.228 7.049 ( 0.083 -0.467 -0.175) 0.505 7.414 ( 1.045 4.217 0.000) 4.344 7.547 ( -1.892 1.296 -0.004) 2.294 7.614 ( -0.053 2.635 0.306) 2.653 7.643 ( 1.068 0.723 -0.764) 1.499 8.088 ( 0.256 7.713 -0.716) 7.751 8.557 ( 0.819 -8.343 -0.212) 8.386 8.638 ( 5.517 -18.957 -7.220) 21.022 9.229 ( -0.634 -1.585 -0.132) 1.712 9.333 ( -1.099 0.084 -0.975) 1.472 10.470 ( -0.582 2.002 -0.096) 2.088 10.678 ( 8.282 -24.169 -8.154) 26.818 12.105 ( -1.224 1.583 0.383) 2.037 12.217 ( 0.983 3.998 0.624) 4.164 12.296 ( 0.261 0.323 -0.269) 0.495 12.339 ( 0.195 2.709 0.840) 2.843 15.947 ( -0.306 0.236 1.362) 1.416 16.062 ( 0.806 1.231 2.495) 2.897 16.282 ( -1.467 -1.386 0.628) 2.114 16.506 ( 4.881 -5.696 -3.036) 8.093 18.261 ( -4.256 2.214 -3.865) 6.161 18.360 ( -1.149 3.623 -3.978) 5.502======================= Grid point 187 (91/150) =======================q-point: (-0.25 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( -6.867 0.000 5.309) 8.680 0.645 ( -4.792 0.000 7.437) 8.847 1.051 ( -19.093 0.000 6.843) 20.283 1.497 ( 3.831 -0.000 12.460) 13.036 1.858 ( 2.627 -0.000 2.379) 3.544 1.975 ( 4.435 -0.000 1.240) 4.605 2.089 ( -5.871 0.000 20.105) 20.945 2.166 ( -2.420 0.000 -1.763) 2.994 2.507 ( 5.152 -0.000 -1.486) 5.362 2.653 ( -2.805 0.000 -0.605) 2.869 2.743 ( 0.113 -0.000 0.701) 0.710 2.924 ( -8.368 0.000 -1.039) 8.432 3.044 ( -3.790 0.000 9.612) 10.332 3.591 ( 0.392 -0.000 1.049) 1.120 3.763 ( 3.530 -0.000 -3.769) 5.164 3.962 ( 4.130 -0.000 -4.895) 6.404 4.152 ( 0.507 -0.000 -1.278) 1.375 4.264 ( -0.138 0.000 -0.318) 0.347 4.506 ( 1.281 -0.000 -0.261) 1.308 4.582 ( 0.042 -0.000 0.267) 0.270 5.067 ( -0.596 0.000 0.346) 0.689 5.251 ( 1.199 -0.000 -3.668) 3.859 5.506 ( 0.436 -0.000 1.014) 1.103 5.522 ( 0.014 -0.000 -0.349) 0.350 5.657 ( 0.987 -0.000 -2.605) 2.786 6.095 ( 0.779 -0.000 -1.123) 1.367 7.047 ( 0.112 -0.000 0.117) 0.162 7.209 ( -0.263 0.000 -0.502) 0.567 7.500 ( -0.114 0.000 0.414) 0.430 7.589 ( 1.061 -0.000 -0.852) 1.361 7.727 ( -1.312 0.000 -0.501) 1.405 7.811 ( 0.096 -0.000 -0.096) 0.136 8.354 ( -0.896 0.000 -0.685) 1.128 8.453 ( 0.106 -0.000 0.884) 0.891 9.168 ( -0.148 0.000 0.258) 0.298 9.332 ( -2.134 0.000 -1.878) 2.843 10.045 ( -0.236 0.000 0.274) 0.362 10.524 ( -1.564 0.000 -0.391) 1.612 12.139 ( -1.157 0.000 0.990) 1.522 12.275 ( 0.754 -0.000 0.030) 0.755 12.305 ( 0.352 -0.000 -0.506) 0.616 12.450 ( 2.441 -0.000 -0.084) 2.443 15.959 ( -0.419 0.000 1.478) 1.536 16.110 ( 3.252 -0.000 3.136) 4.518 16.205 ( -0.816 0.000 -1.002) 1.292 16.333 ( 0.702 -0.000 2.045) 2.162 18.340 ( -6.153 0.000 -7.621) 9.795 18.450 ( -4.414 0.000 -7.327) 8.554======================= Grid point 188 (92/150) =======================q-point: (-0.12 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( -6.228 -4.023 6.290) 9.723 0.792 ( -7.899 -15.661 7.986) 19.273 1.102 ( -9.341 -25.911 4.521) 27.912 1.546 ( 3.014 -1.080 10.653) 11.123 1.836 ( 0.608 4.926 3.509) 6.079 1.956 ( 1.025 1.914 8.484) 8.758 2.150 ( -0.296 -3.363 -0.172) 3.381 2.222 ( 0.285 -7.159 9.847) 12.177 2.525 ( 3.619 2.518 -1.032) 4.528 2.585 ( 0.642 4.598 4.534) 6.489 2.707 ( -0.740 3.903 -0.478) 4.001 2.845 ( -10.774 0.287 -2.947) 11.174 3.136 ( -0.535 -9.163 10.399) 13.871 3.509 ( 1.203 7.808 0.440) 7.912 3.743 ( 0.575 3.955 -5.015) 6.412 3.930 ( 1.977 3.163 -3.344) 5.010 4.201 ( 1.220 -3.793 -0.019) 3.985 4.249 ( 0.867 2.773 0.045) 2.905 4.523 ( 0.655 -2.595 -0.674) 2.760 4.643 ( -0.463 -6.425 -0.250) 6.447 5.070 ( -0.748 -0.819 -0.351) 1.163 5.267 ( 0.681 -1.539 -3.152) 3.573 5.467 ( -0.974 2.351 -0.698) 2.638 5.541 ( 2.210 6.098 -2.005) 6.789 5.691 ( 1.109 -1.546 -2.187) 2.898 6.187 ( 0.692 -10.207 -0.946) 10.274 7.046 ( 0.156 0.017 0.253) 0.298 7.443 ( 2.787 -5.211 -1.957) 6.225 7.526 ( -0.898 -1.633 -0.123) 1.867 7.625 ( 1.038 -3.138 -1.884) 3.804 7.680 ( -1.522 3.221 -0.388) 3.584 8.069 ( 5.816 -26.834 -8.265) 28.674 8.297 ( -1.371 0.961 -2.585) 3.080 8.489 ( 0.086 -3.767 0.810) 3.854 9.189 ( -0.274 -2.069 0.076) 2.089 9.317 ( -1.633 -0.332 -1.520) 2.255 10.268 ( 3.551 -22.864 -5.991) 23.901 10.509 ( 2.057 1.277 1.610) 2.907 12.122 ( -1.057 1.101 0.756) 1.703 12.270 ( 0.745 1.286 0.030) 1.486 12.304 ( 0.373 0.293 -0.479) 0.674 12.415 ( 0.633 4.617 0.359) 4.674 15.952 ( -0.299 0.442 1.497) 1.589 16.104 ( 1.848 2.213 2.844) 4.049 16.239 ( -1.056 -2.374 -0.602) 2.667 16.418 ( 4.065 -7.275 -1.076) 8.403 18.253 ( -7.615 1.750 -5.135) 9.350 18.406 ( -0.407 2.373 -4.157) 4.804======================= Grid point 196 (93/150) =======================q-point: (-0.12 -0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.430 ( -4.692 0.000 7.694) 9.011 0.542 ( -12.598 0.000 8.100) 14.977 0.875 ( -5.931 0.000 12.084) 13.461 1.574 ( 3.298 -0.000 11.309) 11.780 1.888 ( 0.820 -0.000 0.739) 1.103 2.027 ( 2.139 -0.000 1.898) 2.860 2.064 ( -3.276 0.000 21.371) 21.621 2.141 ( -0.369 0.000 -1.312) 1.363 2.582 ( 5.273 -0.000 0.388) 5.287 2.622 ( -1.311 0.000 0.096) 1.315 2.743 ( -0.231 0.000 0.459) 0.514 2.763 ( -10.198 0.000 -4.075) 10.982 3.053 ( -0.520 0.000 14.384) 14.393 3.595 ( -0.027 0.000 0.883) 0.884 3.783 ( 0.774 -0.000 -5.793) 5.845 3.991 ( 0.953 -0.000 -5.876) 5.952 4.167 ( 1.795 -0.000 0.254) 1.813 4.264 ( 0.254 -0.000 0.022) 0.255 4.520 ( 0.930 -0.000 -0.863) 1.269 4.581 ( -0.229 0.000 0.073) 0.240 5.056 ( -0.862 0.000 0.032) 0.863 5.260 ( 0.944 -0.000 -4.150) 4.256 5.522 ( 0.071 -0.000 -0.329) 0.336 5.524 ( 1.448 -0.000 0.433) 1.511 5.664 ( 0.630 -0.000 -2.723) 2.795 6.099 ( 0.175 -0.000 -1.324) 1.336 7.052 ( 0.367 -0.000 0.435) 0.569 7.205 ( -0.148 0.000 -0.514) 0.535 7.500 ( -0.068 0.000 0.449) 0.455 7.606 ( 1.422 -0.000 -0.337) 1.462 7.694 ( -2.953 0.000 -0.729) 3.042 7.810 ( -0.135 0.000 -0.294) 0.324 8.345 ( -0.056 0.000 -0.042) 0.070 8.457 ( 0.088 -0.000 0.948) 0.952 9.167 ( 0.017 -0.000 0.367) 0.367 9.301 ( -1.340 0.000 -1.752) 2.206 10.043 ( -0.086 0.000 0.253) 0.267 10.548 ( 5.270 -0.000 2.282) 5.743 12.127 ( -0.746 0.000 0.792) 1.088 12.284 ( 0.524 -0.000 -0.019) 0.524 12.309 ( 0.413 -0.000 -0.534) 0.676 12.467 ( -0.385 0.000 -0.873) 0.954 15.958 ( -0.233 0.000 1.578) 1.595 16.171 ( 3.914 -0.000 2.037) 4.413 16.191 ( -0.779 0.000 -0.989) 1.259 16.347 ( 0.676 -0.000 2.050) 2.159 18.207 ( -6.415 0.000 -3.295) 7.212 18.425 ( 0.665 -0.000 -3.880) 3.937======================= Grid point 197 (94/150) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( 0.175 -0.000 4.831) 4.834 0.606 ( 1.046 -0.000 5.880) 5.972 1.051 ( 0.346 -0.000 5.123) 5.135 1.856 ( 3.963 -0.000 8.823) 9.673 1.879 ( -1.457 0.000 0.080) 1.459 2.082 ( -1.880 0.000 1.559) 2.442 2.128 ( 2.309 -0.000 -0.785) 2.439 2.389 ( -2.377 0.000 10.438) 10.706 2.498 ( -7.097 0.000 -4.470) 8.387 2.629 ( 1.117 -0.000 0.214) 1.138 2.744 ( -0.420 0.000 0.200) 0.465 2.846 ( 6.695 -0.000 10.810) 12.716 3.362 ( -1.527 0.000 13.749) 13.833 3.593 ( -2.183 0.000 -9.578) 9.824 3.608 ( -0.372 0.000 0.593) 0.701 3.846 ( 0.365 -0.000 -7.582) 7.591 4.222 ( 1.511 -0.000 1.388) 2.052 4.274 ( 0.423 -0.000 0.131) 0.443 4.512 ( 0.910 -0.000 -1.264) 1.558 4.575 ( -0.312 0.000 -0.037) 0.314 5.044 ( -0.467 0.000 -0.031) 0.468 5.164 ( -0.423 0.000 -3.964) 3.987 5.517 ( 0.088 -0.000 -0.230) 0.246 5.538 ( 0.170 -0.000 0.468) 0.498 5.604 ( -0.243 0.000 -2.803) 2.814 6.074 ( -0.122 0.000 -0.876) 0.884 7.064 ( 0.188 -0.000 0.206) 0.279 7.196 ( 0.068 -0.000 -0.298) 0.306 7.509 ( 0.040 -0.000 0.349) 0.351 7.628 ( 2.111 -0.000 0.078) 2.113 7.638 ( -2.744 0.000 -0.629) 2.815 7.798 ( -0.242 0.000 -0.377) 0.448 8.356 ( 0.547 -0.000 0.177) 0.575 8.475 ( -0.050 0.000 0.625) 0.627 9.178 ( 0.111 -0.000 0.351) 0.369 9.260 ( 0.146 -0.000 -1.186) 1.195 10.048 ( 0.067 -0.000 0.169) 0.181 10.630 ( 3.516 -0.000 -1.534) 3.836 12.134 ( -0.143 0.000 0.468) 0.489 12.281 ( -0.281 0.000 -0.303) 0.414 12.304 ( 0.128 -0.000 -0.273) 0.302 12.448 ( -1.008 0.000 0.434) 1.098 15.989 ( -0.031 0.000 1.256) 1.256 16.167 ( -0.195 0.000 -0.480) 0.518 16.207 ( -0.523 0.000 0.123) 0.537 16.391 ( 0.113 -0.000 1.238) 1.243 18.191 ( 2.906 -0.000 -0.902) 3.043 18.378 ( 2.336 -0.000 -2.630) 3.518======================= Grid point 198 (95/150) =======================q-point: ( 0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( 5.991 -3.468 4.733) 8.386 0.962 ( 2.493 -17.816 6.750) 19.214 1.084 ( 0.085 -16.431 0.184) 16.433 1.842 ( 1.186 2.743 4.838) 5.687 1.878 ( -0.131 1.308 2.223) 2.582 2.085 ( -2.562 -1.059 2.013) 3.425 2.149 ( 1.192 -2.175 1.306) 2.803 2.401 ( -7.848 -2.781 5.424) 9.937 2.424 ( -0.126 2.089 1.417) 2.527 2.657 ( -1.140 7.929 0.471) 8.025 2.734 ( 3.022 -7.216 -0.068) 7.823 2.954 ( 6.956 -3.382 10.171) 12.778 3.296 ( -3.735 6.063 9.753) 12.076 3.504 ( -1.945 3.900 -7.593) 8.755 3.630 ( 1.603 1.169 -0.946) 2.197 3.846 ( 0.492 -0.925 -4.466) 4.587 4.233 ( -0.269 -1.090 0.609) 1.277 4.282 ( -0.003 0.986 0.016) 0.986 4.493 ( -0.287 0.853 -2.034) 2.224 4.641 ( 0.194 -7.203 0.111) 7.206 5.010 ( -0.588 1.787 -1.109) 2.184 5.222 ( 0.115 -5.231 -1.815) 5.538 5.416 ( -0.291 7.097 -1.192) 7.202 5.543 ( 0.168 2.297 -0.620) 2.385 5.648 ( -0.353 -2.242 -1.572) 2.761 6.171 ( -0.162 -10.069 -0.767) 10.099 7.055 ( 0.217 0.817 0.109) 0.852 7.380 ( -0.906 -11.459 -1.897) 11.650 7.506 ( -0.106 0.835 0.244) 0.876 7.611 ( -1.968 0.228 -0.573) 2.063 7.627 ( 1.457 1.700 -0.172) 2.245 7.957 ( -0.609 -21.016 -2.776) 21.207 8.276 ( 0.158 8.291 0.200) 8.295 8.505 ( -0.187 -3.154 0.614) 3.219 9.192 ( 0.033 -1.373 0.367) 1.421 9.266 ( 0.687 -0.334 -1.241) 1.457 10.200 ( -0.430 -15.947 -1.135) 15.993 10.628 ( 2.441 2.153 -3.133) 4.517 12.122 ( 0.346 1.454 0.412) 1.551 12.267 ( -0.533 1.282 -0.163) 1.398 12.302 ( -0.197 0.166 -0.187) 0.318 12.412 ( -0.865 2.967 0.931) 3.228 15.983 ( -0.028 0.562 1.179) 1.307 16.164 ( -1.061 2.442 1.124) 2.890 16.204 ( -0.174 -3.330 -0.381) 3.356 16.433 ( -0.551 -3.434 -0.427) 3.504 18.209 ( 2.954 0.323 -1.928) 3.542 18.374 ( 3.105 2.345 -3.028) 4.931======================= Grid point 199 (96/150) =======================q-point: ( 0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.800 ( 4.243 -6.828 1.867) 8.252 1.014 ( 3.654 -1.401 5.104) 6.431 1.642 ( 1.776 -25.172 1.991) 25.313 1.798 ( -1.306 2.728 1.766) 3.502 1.836 ( 0.670 2.723 2.162) 3.541 2.111 ( -5.861 -6.326 2.184) 8.896 2.217 ( 1.559 -4.028 2.925) 5.216 2.363 ( -3.279 0.973 0.135) 3.423 2.452 ( 0.545 2.050 7.174) 7.481 2.478 ( -4.533 3.971 -0.091) 6.027 2.857 ( 3.945 -2.690 2.698) 5.485 3.050 ( 8.055 -0.139 10.647) 13.351 3.145 ( -6.558 6.726 1.963) 9.596 3.455 ( -0.893 -0.694 -2.732) 2.957 3.602 ( 1.784 2.226 -4.325) 5.182 3.847 ( 1.566 2.131 -0.916) 2.799 4.177 ( -2.490 9.089 -0.548) 9.440 4.278 ( -0.456 -4.279 0.592) 4.344 4.531 ( -0.580 -5.556 -2.326) 6.051 4.802 ( 0.146 -9.467 -0.207) 9.470 4.994 ( 0.046 -0.278 -0.924) 0.966 5.250 ( 0.192 8.412 -1.312) 8.516 5.317 ( -0.283 -2.673 -1.937) 3.314 5.500 ( 0.453 2.536 0.138) 2.580 5.647 ( -0.377 1.026 -1.292) 1.692 6.366 ( 0.174 -10.863 -0.619) 10.882 7.046 ( 0.245 0.314 -0.185) 0.439 7.440 ( -0.506 3.068 -0.380) 3.133 7.467 ( 0.209 2.185 0.835) 2.349 7.595 ( 0.162 1.853 0.173) 1.868 7.618 ( -0.283 -1.299 -0.794) 1.548 8.098 ( 0.003 9.335 -0.292) 9.340 8.441 ( -2.305 -27.954 -3.945) 28.325 8.579 ( -0.164 -5.012 0.666) 5.059 9.221 ( 0.342 -1.379 0.724) 1.595 9.270 ( 0.844 0.401 -1.379) 1.666 10.488 ( -0.580 -8.178 1.092) 8.271 10.642 ( -0.585 -10.358 -7.017) 12.525 12.093 ( 0.878 2.210 0.225) 2.388 12.227 ( -0.749 2.713 0.352) 2.837 12.296 ( -0.336 0.198 -0.036) 0.392 12.353 ( -0.280 2.793 0.712) 2.896 15.976 ( 0.002 0.373 1.019) 1.085 16.117 ( -1.141 1.850 1.501) 2.641 16.276 ( 0.278 -4.115 0.696) 4.183 16.474 ( -1.286 -1.954 -2.251) 3.247 18.216 ( 1.867 0.617 -2.133) 2.902 18.335 ( 2.434 3.723 -2.874) 5.296======================= Grid point 200 (97/150) =======================q-point: ( 0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -0.290 -3.954 0.570) 4.006 1.172 ( 7.141 -10.040 3.264) 12.745 1.661 ( -3.876 8.234 1.627) 9.245 1.785 ( -0.387 2.214 0.028) 2.247 1.946 ( 3.278 -6.855 5.468) 9.361 2.140 ( -3.341 1.673 2.136) 4.303 2.196 ( -4.319 7.921 1.983) 9.238 2.388 ( -0.802 -7.509 3.656) 8.390 2.416 ( -1.127 -0.997 0.138) 1.511 2.579 ( -1.015 -10.251 4.424) 11.211 2.911 ( 2.557 -0.190 7.666) 8.083 3.010 ( -4.717 0.142 -5.155) 6.989 3.110 ( 7.818 0.337 9.487) 12.298 3.478 ( -3.651 -1.895 0.143) 4.116 3.559 ( 1.904 4.508 -6.991) 8.533 3.794 ( 3.909 5.129 1.891) 6.720 3.992 ( -4.580 6.788 -1.992) 8.427 4.361 ( 0.267 -4.238 1.167) 4.403 4.645 ( -0.554 -7.477 -2.417) 7.877 4.937 ( -0.142 -4.642 -0.068) 4.645 5.021 ( 0.604 -2.966 -1.456) 3.359 5.085 ( 0.647 8.886 -1.832) 9.096 5.351 ( -0.581 -0.798 -1.115) 1.489 5.460 ( 0.339 2.238 0.116) 2.266 5.623 ( -0.204 1.011 -1.284) 1.647 6.536 ( 0.529 -7.522 -0.583) 7.563 7.045 ( 0.056 -0.026 -0.360) 0.365 7.337 ( -0.546 5.989 0.115) 6.014 7.440 ( 0.859 1.596 0.437) 1.865 7.578 ( -0.097 0.176 0.907) 0.929 7.635 ( 0.290 -0.498 -0.584) 0.821 7.961 ( 0.014 5.426 -0.470) 5.446 8.665 ( -0.050 -4.098 0.539) 4.133 8.833 ( -2.160 -17.766 -1.876) 17.995 9.212 ( 1.586 3.673 -0.116) 4.003 9.282 ( 0.256 -1.576 -0.431) 1.653 10.481 ( -0.057 2.602 -0.430) 2.638 10.918 ( -2.024 -14.989 -4.160) 15.687 12.062 ( 0.940 1.838 0.004) 2.065 12.170 ( -0.633 2.642 0.795) 2.831 12.291 ( -0.194 0.111 0.086) 0.239 12.317 ( -0.037 1.211 0.198) 1.228 15.972 ( -0.021 0.191 0.899) 0.919 16.088 ( -0.782 0.797 1.675) 2.013 16.338 ( 0.278 -2.028 1.975) 2.844 16.488 ( -0.889 -1.198 -3.581) 3.879 18.211 ( 0.711 0.655 -1.871) 2.105 18.283 ( 1.305 2.983 -2.269) 3.969======================= Grid point 201 (98/150) =======================q-point: (-0.50 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( -0.019 -0.476 -0.432) 0.643 1.392 ( 0.561 -3.426 2.214) 4.118 1.474 ( -2.437 2.859 1.363) 3.996 1.746 ( 0.452 1.425 0.241) 1.514 1.987 ( -1.550 5.776 4.944) 7.759 2.094 ( 3.677 -4.275 4.981) 7.524 2.183 ( -2.958 -4.453 0.724) 5.394 2.381 ( -1.050 2.825 3.052) 4.289 2.468 ( 1.611 -1.481 2.698) 3.474 2.677 ( -1.781 -1.517 2.395) 3.347 2.861 ( -3.608 2.721 7.068) 8.389 3.022 ( 4.158 7.816 2.394) 9.171 3.266 ( 0.468 -10.886 0.134) 10.897 3.424 ( -1.264 2.286 -1.886) 3.222 3.481 ( -3.366 -0.611 -1.791) 3.862 3.791 ( 8.191 0.741 2.290) 8.537 3.874 ( -5.168 2.849 -2.613) 6.453 4.408 ( 0.117 -0.210 0.935) 0.965 4.770 ( 0.065 -5.576 -4.371) 7.086 4.958 ( -0.230 3.408 -1.057) 3.576 4.968 ( 0.320 0.557 0.329) 0.722 5.083 ( 0.800 -1.662 -2.155) 2.837 5.341 ( -0.208 1.056 -0.340) 1.129 5.433 ( -0.064 0.595 0.235) 0.643 5.612 ( 0.181 -0.023 -1.286) 1.299 6.612 ( 0.068 -0.070 -0.667) 0.674 7.046 ( 0.007 -0.147 -0.491) 0.513 7.271 ( 0.162 0.210 0.385) 0.468 7.434 ( 0.067 -0.790 -0.245) 0.829 7.583 ( -0.245 -0.633 1.055) 1.255 7.637 ( 0.111 0.242 -0.532) 0.594 7.911 ( 0.055 0.123 -0.503) 0.521 8.706 ( -0.048 -0.159 0.355) 0.392 9.017 ( -0.066 -0.822 -0.565) 0.999 9.154 ( 0.303 0.068 -1.414) 1.447 9.307 ( 0.055 -0.715 -0.219) 0.750 10.446 ( 0.039 0.937 -0.265) 0.975 11.054 ( 0.440 -0.497 -3.099) 3.169 12.048 ( 0.046 -0.127 -0.164) 0.212 12.142 ( -0.119 0.056 0.867) 0.877 12.290 ( -0.006 -0.034 0.102) 0.108 12.307 ( -0.022 0.011 0.070) 0.075 15.970 ( -0.123 0.117 0.922) 0.938 16.080 ( -0.238 -0.092 1.681) 1.700 16.352 ( -0.368 0.426 2.500) 2.563 16.502 ( 0.619 -0.750 -4.232) 4.342 18.200 ( -0.181 0.511 -1.414) 1.514 18.253 ( 0.597 0.689 -1.726) 1.952======================= Grid point 202 (99/150) =======================q-point: (-0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 0.149 5.013 -0.021) 5.015 1.204 ( -9.542 8.675 2.613) 13.158 1.624 ( 2.745 -7.096 2.416) 7.982 1.752 ( 1.615 -0.145 3.315) 3.690 1.923 ( -1.709 1.439 2.680) 3.489 2.152 ( 3.715 2.944 1.852) 5.089 2.270 ( -1.415 -4.579 -1.104) 4.918 2.327 ( 1.691 2.783 5.531) 6.419 2.478 ( 0.635 2.190 0.481) 2.330 2.682 ( -0.056 -0.686 2.798) 2.881 2.747 ( 2.109 9.657 6.466) 11.812 2.875 ( -5.737 3.057 6.938) 9.508 3.300 ( -2.880 -1.229 1.445) 3.449 3.460 ( -1.463 -3.996 -5.066) 6.616 3.580 ( 0.395 -2.478 -0.555) 2.570 3.749 ( -0.477 1.101 1.117) 1.639 3.947 ( 4.980 -8.633 -0.492) 9.979 4.371 ( -0.440 3.858 0.412) 3.905 4.729 ( -1.051 7.153 -4.582) 8.559 4.925 ( 0.565 5.131 0.365) 5.175 5.032 ( -0.693 -6.317 -2.152) 6.709 5.089 ( 0.374 -2.868 -2.213) 3.642 5.323 ( 1.247 1.496 0.162) 1.955 5.444 ( -0.160 -1.662 0.817) 1.859 5.624 ( 0.532 -1.170 -1.305) 1.832 6.538 ( -0.475 7.390 -0.676) 7.436 7.048 ( 0.001 0.026 -0.433) 0.433 7.332 ( 0.841 -5.495 0.365) 5.571 7.467 ( -1.223 -3.098 -0.839) 3.434 7.594 ( -0.786 -0.793 0.620) 1.277 7.631 ( 0.132 0.361 -0.638) 0.745 7.957 ( 0.202 -5.111 -0.336) 5.126 8.669 ( -0.150 3.981 0.355) 3.999 8.860 ( 2.095 15.759 -3.222) 16.221 9.211 ( -1.382 -3.360 -0.222) 3.640 9.303 ( -0.591 0.694 -1.170) 1.483 10.453 ( 0.757 -1.409 0.674) 1.736 10.931 ( 2.997 14.815 -4.658) 15.817 12.065 ( -0.999 -1.881 -0.137) 2.134 12.171 ( 0.451 -2.898 0.741) 3.025 12.292 ( 0.164 -0.126 0.018) 0.208 12.317 ( -0.039 -1.252 0.237) 1.274 15.969 ( -0.147 -0.063 1.006) 1.019 16.090 ( 0.245 -0.899 1.616) 1.865 16.331 ( -0.628 1.816 2.061) 2.818 16.505 ( 1.600 0.956 -4.162) 4.561 18.189 ( -0.695 0.275 -0.866) 1.144 18.264 ( 0.377 -1.553 -1.521) 2.207======================= Grid point 203 (100/150) =======================q-point: (-0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( -3.328 7.048 2.382) 8.150 1.032 ( -6.694 3.521 4.664) 8.886 1.640 ( -3.106 23.363 1.943) 23.649 1.732 ( 1.971 -2.048 5.576) 6.259 1.838 ( 2.553 0.872 0.116) 2.700 2.091 ( 4.763 3.725 3.547) 7.010 2.198 ( 0.040 4.072 0.863) 4.163 2.436 ( -0.440 -4.321 2.650) 5.087 2.445 ( -2.719 -3.315 -1.340) 4.492 2.668 ( -3.956 -0.090 -2.009) 4.438 2.724 ( 3.482 0.204 6.133) 7.055 2.832 ( -0.526 0.733 14.880) 14.908 3.335 ( -4.892 -4.449 -1.369) 6.752 3.491 ( -1.004 1.882 0.393) 2.168 3.544 ( 1.717 -1.852 -0.377) 2.554 3.808 ( 1.946 -3.334 -3.674) 5.329 4.153 ( 3.264 -9.316 0.682) 9.895 4.290 ( -0.219 4.412 0.015) 4.418 4.576 ( -1.554 7.207 -3.272) 8.066 4.791 ( 0.473 9.470 0.205) 9.484 5.033 ( -1.740 0.110 -2.562) 3.099 5.249 ( 0.336 -6.782 -1.519) 6.958 5.305 ( 1.545 -0.744 -1.470) 2.258 5.483 ( 0.296 -2.486 0.958) 2.680 5.652 ( 0.509 -1.328 -1.439) 2.023 6.368 ( -0.160 10.843 -0.732) 10.869 7.046 ( -0.121 -0.125 -0.148) 0.229 7.431 ( 1.079 -3.570 -0.047) 3.730 7.507 ( -2.217 -2.271 -0.616) 3.233 7.602 ( -0.584 -0.722 -0.602) 1.107 7.629 ( -0.078 -0.316 -0.897) 0.955 8.088 ( 0.681 -8.694 -0.009) 8.720 8.487 ( 1.165 26.588 -6.412) 27.375 8.584 ( -0.262 5.361 0.248) 5.373 9.222 ( -0.633 1.069 0.502) 1.340 9.284 ( -1.064 0.399 -1.792) 2.122 10.488 ( 0.236 1.503 1.625) 2.226 10.609 ( 4.302 18.816 -6.086) 20.239 12.095 ( -1.038 -2.180 0.171) 2.421 12.233 ( 0.401 -2.977 0.016) 3.004 12.296 ( 0.307 -0.144 -0.106) 0.355 12.356 ( -0.043 -3.230 0.582) 3.282 15.973 ( -0.101 -0.339 1.111) 1.166 16.119 ( 0.559 -1.895 1.514) 2.489 16.280 ( -0.718 3.429 0.588) 3.553 16.482 ( 1.735 2.592 -2.837) 4.216 18.179 ( -0.529 0.201 -0.315) 0.648 18.304 ( 0.545 -2.553 -1.669) 3.099======================= Grid point 204 (101/150) =======================q-point: (-0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.649 ( -6.499 3.572 4.991) 8.939 0.932 ( -0.099 18.954 7.143) 20.255 1.092 ( -1.950 17.144 1.053) 17.287 1.793 ( 3.005 -2.199 7.903) 8.737 1.880 ( 0.419 -1.378 0.291) 1.470 2.087 ( 1.516 0.133 2.246) 2.713 2.138 ( -0.031 2.872 0.316) 2.889 2.409 ( 0.067 1.922 3.257) 3.782 2.524 ( -8.068 -3.348 1.705) 8.900 2.675 ( -1.900 -4.171 -0.685) 4.634 2.701 ( 1.531 4.563 1.341) 4.996 2.841 ( 5.053 2.774 11.722) 13.062 3.340 ( -4.739 -1.653 9.559) 10.796 3.537 ( -0.340 -5.417 -3.388) 6.398 3.605 ( 1.781 -2.618 -3.818) 4.960 3.848 ( 0.902 -0.331 -5.271) 5.358 4.227 ( 1.012 2.429 0.603) 2.700 4.272 ( 1.153 -1.370 0.416) 1.838 4.494 ( 0.265 0.300 -1.870) 1.913 4.639 ( 0.086 6.766 0.150) 6.768 5.028 ( -1.351 -1.241 -1.641) 2.461 5.221 ( 0.608 4.315 -1.843) 4.731 5.425 ( -0.504 -6.628 -1.581) 6.833 5.538 ( 0.699 -2.817 -0.455) 2.938 5.653 ( 0.106 2.159 -1.783) 2.802 6.172 ( 0.225 10.020 -0.816) 10.056 7.054 ( -0.007 -0.694 0.216) 0.726 7.395 ( -0.255 11.250 -2.843) 11.606 7.512 ( -0.793 -0.007 0.249) 0.831 7.608 ( 1.364 -0.267 -0.873) 1.642 7.641 ( -2.047 -1.550 -0.528) 2.621 7.965 ( 0.435 21.899 -3.543) 22.188 8.273 ( 0.144 -7.709 0.249) 7.714 8.505 ( -0.042 3.260 0.586) 3.313 9.191 ( -0.096 1.516 0.373) 1.565 9.268 ( -0.562 0.523 -1.344) 1.548 10.205 ( 0.216 16.655 -1.656) 16.739 10.586 ( 3.581 -1.826 -0.445) 4.044 12.123 ( -0.582 -1.458 0.396) 1.619 12.271 ( 0.012 -1.288 -0.336) 1.331 12.301 ( 0.325 -0.129 -0.219) 0.413 12.420 ( -0.415 -3.387 0.402) 3.436 15.981 ( -0.049 -0.549 1.228) 1.346 16.166 ( 0.483 -2.358 1.173) 2.677 16.211 ( -0.581 3.077 -0.703) 3.209 16.432 ( 0.872 3.717 -0.480) 3.848 18.177 ( 1.016 0.108 -0.095) 1.026 18.350 ( 1.141 -1.894 -2.096) 3.046======================= Grid point 206 (102/150) =======================q-point: ( 0.12 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.582 ( 3.331 -0.000 3.850) 5.091 0.743 ( 14.294 -0.000 3.486) 14.713 1.058 ( -0.773 0.000 4.032) 4.105 1.853 ( -2.138 0.000 1.142) 2.424 1.928 ( 3.680 -0.000 6.572) 7.533 2.035 ( -4.942 0.000 1.219) 5.090 2.160 ( 2.343 -0.000 -0.943) 2.526 2.310 ( -8.328 0.000 7.310) 11.081 2.470 ( 0.814 -0.000 2.438) 2.570 2.659 ( 2.822 -0.000 -0.562) 2.878 2.740 ( -0.167 0.000 0.487) 0.514 2.959 ( 6.045 -0.000 9.221) 11.025 3.378 ( 0.326 -0.000 12.392) 12.396 3.537 ( -2.831 0.000 -9.799) 10.199 3.602 ( -0.556 0.000 0.793) 0.968 3.833 ( -0.114 0.000 -6.357) 6.358 4.230 ( -0.584 0.000 0.331) 0.672 4.278 ( 0.226 -0.000 -0.198) 0.300 4.506 ( -1.470 0.000 -2.073) 2.541 4.572 ( -0.150 0.000 0.184) 0.237 5.042 ( 0.169 -0.000 0.304) 0.348 5.150 ( -0.197 0.000 -3.212) 3.218 5.518 ( 0.108 -0.000 -0.263) 0.284 5.540 ( 0.046 -0.000 0.754) 0.755 5.593 ( -0.403 0.000 -2.655) 2.686 6.066 ( -0.648 0.000 -0.687) 0.944 7.068 ( 0.307 -0.000 0.090) 0.320 7.198 ( 0.340 -0.000 -0.302) 0.455 7.510 ( -0.023 0.000 0.288) 0.289 7.599 ( -2.394 0.000 -0.784) 2.519 7.661 ( 2.397 -0.000 0.504) 2.449 7.795 ( 0.002 -0.000 -0.169) 0.169 8.360 ( -0.013 0.000 -0.166) 0.166 8.474 ( -0.274 0.000 0.584) 0.645 9.179 ( 0.040 -0.000 0.239) 0.242 9.269 ( 1.409 -0.000 -1.139) 1.812 10.050 ( 0.206 -0.000 0.129) 0.243 10.662 ( 1.506 -0.000 -4.113) 4.380 12.139 ( 0.723 -0.000 0.540) 0.902 12.274 ( -0.674 0.000 -0.046) 0.675 12.301 ( -0.428 0.000 -0.241) 0.491 12.433 ( -1.291 0.000 1.093) 1.691 15.991 ( -0.060 0.000 1.158) 1.160 16.168 ( 0.424 -0.000 -0.298) 0.518 16.184 ( -2.509 0.000 0.689) 2.602 16.390 ( -0.554 0.000 1.038) 1.177 18.232 ( 2.894 -0.000 -3.258) 4.358 18.422 ( 4.568 -0.000 -4.506) 6.417======================= Grid point 207 (103/150) =======================q-point: ( 0.25 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.783 ( 8.053 -2.978 3.228) 9.173 1.037 ( 5.815 -3.945 6.521) 9.587 1.090 ( 1.562 -27.527 -1.248) 27.600 1.828 ( -2.391 1.562 1.518) 3.235 1.895 ( -1.098 3.402 3.819) 5.231 2.042 ( -2.197 -1.005 1.583) 2.888 2.171 ( 1.127 -1.797 1.207) 2.441 2.311 ( -5.040 -3.283 3.144) 6.787 2.436 ( -0.069 2.037 7.464) 7.737 2.641 ( -1.104 8.751 0.948) 8.871 2.778 ( 2.788 -7.278 -1.213) 7.887 3.067 ( 5.609 -4.444 9.473) 11.872 3.285 ( -0.091 9.983 8.659) 13.216 3.454 ( -3.037 2.206 -7.591) 8.468 3.643 ( 0.727 0.210 -1.041) 1.287 3.845 ( 0.377 -2.044 -4.138) 4.631 4.223 ( -1.261 -1.003 0.104) 1.615 4.271 ( -1.352 2.511 -0.534) 2.902 4.474 ( -1.449 0.070 -1.927) 2.412 4.645 ( 0.238 -7.381 -0.024) 7.385 5.009 ( 0.631 1.942 -0.188) 2.051 5.218 ( -0.104 -5.530 -1.855) 5.834 5.413 ( 0.178 7.665 -1.010) 7.733 5.541 ( -0.181 1.714 -0.496) 1.794 5.639 ( -0.395 -2.102 -1.232) 2.468 6.165 ( -0.360 -10.469 -0.594) 10.492 7.060 ( 0.288 0.840 -0.008) 0.888 7.367 ( -0.456 -11.372 -0.844) 11.412 7.510 ( 0.521 0.960 0.214) 1.113 7.583 ( -1.789 -0.963 -0.603) 2.119 7.649 ( 1.507 2.947 0.453) 3.341 7.940 ( -0.991 -18.676 -1.934) 18.802 8.277 ( 0.050 8.142 -0.052) 8.143 8.502 ( -0.273 -3.212 0.626) 3.284 9.193 ( 0.085 -1.457 0.347) 1.500 9.282 ( 1.784 -0.132 -1.099) 2.099 10.190 ( -0.598 -14.757 -0.731) 14.787 10.637 ( -0.158 2.617 -4.510) 5.217 12.134 ( 1.144 1.387 0.515) 1.870 12.257 ( -0.772 1.309 0.185) 1.531 12.296 ( -0.464 0.122 -0.156) 0.504 12.400 ( -0.993 2.481 1.079) 2.882 15.985 ( -0.032 0.539 1.052) 1.183 16.143 ( -2.141 1.970 1.335) 3.202 16.207 ( 0.563 -3.541 -0.118) 3.587 16.418 ( -1.391 -2.772 -0.036) 3.102 18.240 ( 2.185 0.703 -3.336) 4.050 18.419 ( 3.807 3.199 -5.132) 7.146======================= Grid point 208 (104/150) =======================q-point: ( 0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 1.356 -1.797 0.878) 2.416 1.120 ( 9.224 -3.971 5.047) 11.239 1.664 ( 0.054 -23.676 1.475) 23.722 1.755 ( -3.265 4.741 0.872) 5.823 1.860 ( -0.193 -1.687 2.330) 2.883 2.038 ( -3.136 -2.906 1.896) 4.677 2.237 ( 0.189 -3.408 0.898) 3.530 2.311 ( -3.803 0.879 3.621) 5.324 2.435 ( -1.842 4.135 0.821) 4.601 2.483 ( 1.342 0.643 8.679) 8.805 2.895 ( 0.427 -4.276 -2.846) 5.155 3.078 ( -2.978 9.383 7.474) 12.360 3.189 ( 8.324 0.016 7.351) 11.106 3.427 ( -2.700 -1.433 -1.805) 3.550 3.615 ( 1.572 2.328 -5.127) 5.846 3.863 ( 0.834 0.265 -2.076) 2.253 4.123 ( -4.381 10.540 -1.122) 11.470 4.274 ( -0.280 -5.015 0.827) 5.091 4.526 ( 0.496 -5.559 -0.749) 5.631 4.802 ( 0.004 -9.191 -0.488) 9.204 5.003 ( 1.238 -0.298 0.034) 1.274 5.251 ( 0.328 9.055 -1.609) 9.203 5.304 ( -0.909 -3.228 -2.234) 4.029 5.504 ( 0.095 2.278 -0.089) 2.281 5.638 ( -0.433 0.916 -1.196) 1.567 6.369 ( 0.421 -11.266 -0.433) 11.282 7.049 ( 0.192 0.413 -0.213) 0.503 7.426 ( -1.073 3.364 -0.672) 3.594 7.488 ( 2.185 1.632 1.360) 3.047 7.597 ( -0.035 2.069 -0.040) 2.070 7.615 ( 0.093 -1.723 0.140) 1.731 8.094 ( -0.377 8.744 -0.734) 8.783 8.401 ( -2.095 -27.203 -2.560) 27.403 8.579 ( -0.085 -5.115 0.708) 5.164 9.229 ( 0.474 -1.994 0.877) 2.229 9.288 ( 1.842 0.990 -1.102) 2.364 10.481 ( -0.503 -10.836 0.260) 10.851 10.603 ( -2.769 -6.964 -5.680) 9.404 12.110 ( 1.379 2.258 0.368) 2.671 12.216 ( -0.807 2.652 0.550) 2.826 12.291 ( -0.264 0.080 -0.004) 0.276 12.349 ( -0.457 2.417 0.604) 2.533 15.978 ( -0.026 0.377 0.911) 0.986 16.101 ( -1.401 1.317 1.611) 2.509 16.285 ( 0.780 -4.212 0.538) 4.317 16.448 ( -1.806 -1.910 -1.382) 2.969 18.233 ( 1.323 1.154 -2.657) 3.184 18.361 ( 1.956 4.610 -4.333) 6.622======================= Grid point 209 (105/150) =======================q-point: ( 0.50 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( 0.118 -3.918 -0.056) 3.920 1.293 ( 8.192 -6.991 3.903) 11.455 1.608 ( -3.228 9.088 1.087) 9.705 1.773 ( -1.745 1.028 -0.162) 2.031 1.966 ( -2.392 -5.589 2.811) 6.698 2.129 ( -1.224 -0.267 1.485) 1.943 2.148 ( 0.052 5.284 6.493) 8.372 2.366 ( -2.672 -5.967 4.109) 7.722 2.406 ( -1.218 -3.047 -0.075) 3.282 2.586 ( 0.682 -6.483 4.516) 7.931 2.908 ( -4.847 3.493 2.521) 6.485 2.990 ( 3.337 -5.406 -0.289) 6.359 3.248 ( 8.484 1.827 8.067) 11.849 3.415 ( -4.990 -0.288 0.637) 5.039 3.568 ( 1.344 5.585 -5.850) 8.199 3.855 ( 3.366 3.245 0.332) 4.687 3.907 ( -5.989 5.492 -2.882) 8.622 4.366 ( 0.026 -4.359 0.925) 4.456 4.646 ( 1.159 -6.919 -0.585) 7.040 4.934 ( -0.295 -4.829 -0.402) 4.855 5.029 ( 0.833 -0.442 -1.459) 1.737 5.092 ( 0.750 6.659 -1.685) 6.909 5.336 ( -1.067 -1.062 -1.562) 2.169 5.463 ( 0.031 2.282 -0.003) 2.283 5.617 ( -0.157 0.753 -1.289) 1.501 6.544 ( 0.670 -7.370 -0.471) 7.415 7.046 ( 0.182 0.095 -0.337) 0.394 7.328 ( -0.742 5.405 -0.099) 5.457 7.457 ( 1.348 2.697 0.471) 3.052 7.580 ( 0.150 0.171 1.035) 1.060 7.638 ( 0.278 -0.461 -0.339) 0.636 7.960 ( -0.047 5.344 -0.635) 5.382 8.666 ( 0.056 -4.075 0.537) 4.111 8.799 ( -1.934 -18.286 -1.557) 18.454 9.237 ( 1.658 3.424 0.222) 3.811 9.289 ( 0.749 -1.078 -0.387) 1.368 10.473 ( -0.714 2.398 -1.041) 2.710 10.881 ( -1.959 -16.532 -3.142) 16.941 12.077 ( 1.062 2.369 0.157) 2.601 12.163 ( -0.493 2.322 0.786) 2.501 12.289 ( -0.082 0.003 0.093) 0.124 12.316 ( -0.149 1.102 0.181) 1.127 15.973 ( -0.122 0.234 0.852) 0.892 16.080 ( -0.677 0.348 1.708) 1.870 16.346 ( 0.264 -1.575 1.787) 2.396 16.469 ( -0.692 -2.159 -3.027) 3.782 18.216 ( 0.582 1.173 -1.866) 2.280 18.292 ( 0.598 3.365 -2.995) 4.544======================= Grid point 210 (106/150) =======================q-point: (-0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( 0.137 -0.144 -0.318) 0.375 1.358 ( -3.289 11.229 1.804) 11.839 1.509 ( 4.152 -6.702 2.565) 8.291 1.750 ( -0.002 -0.364 -0.009) 0.365 1.974 ( -1.633 4.629 5.984) 7.740 2.086 ( -4.127 -7.549 0.478) 8.616 2.202 ( 3.557 -0.594 3.610) 5.102 2.376 ( -0.516 0.450 4.685) 4.735 2.473 ( -1.787 -3.394 0.356) 3.852 2.655 ( -0.861 -1.572 2.591) 3.151 2.858 ( 0.323 1.329 9.107) 9.209 3.082 ( 2.688 9.578 -0.131) 9.949 3.235 ( -4.086 -0.992 0.157) 4.207 3.422 ( 2.063 1.220 -0.723) 2.503 3.460 ( 0.280 -4.669 -0.346) 4.691 3.786 ( -6.174 1.788 -2.318) 6.833 3.897 ( 5.868 -1.335 0.408) 6.032 4.406 ( -0.588 0.053 0.750) 0.954 4.768 ( 0.913 -3.855 -3.930) 5.580 4.949 ( -0.548 2.423 -0.967) 2.666 4.971 ( 0.015 -0.114 0.076) 0.138 5.091 ( 0.730 0.019 -2.387) 2.496 5.338 ( 0.003 -0.273 -0.168) 0.320 5.434 ( 0.023 0.680 0.265) 0.730 5.612 ( 0.207 -0.321 -1.281) 1.337 6.612 ( 0.091 0.559 -0.649) 0.862 7.048 ( 0.304 -0.047 -0.465) 0.558 7.272 ( -0.203 -0.522 0.299) 0.635 7.434 ( -0.030 0.251 -0.332) 0.417 7.582 ( -0.221 -0.146 1.115) 1.146 7.638 ( 0.150 0.365 -0.532) 0.662 7.911 ( 0.070 0.024 -0.498) 0.503 8.706 ( -0.052 -0.034 0.355) 0.361 9.008 ( -0.742 -4.498 -0.507) 4.586 9.162 ( 0.913 3.533 -1.438) 3.922 9.307 ( 0.018 -0.156 -0.240) 0.287 10.445 ( -0.028 0.184 -0.271) 0.328 11.052 ( 0.294 -2.636 -3.086) 4.070 12.050 ( 0.131 0.882 -0.180) 0.910 12.143 ( -0.002 -0.353 0.858) 0.928 12.290 ( 0.016 -0.130 0.103) 0.166 12.306 ( -0.048 -0.008 0.072) 0.087 15.969 ( -0.163 0.114 0.914) 0.936 16.080 ( -0.197 -0.429 1.688) 1.753 16.352 ( -0.343 0.675 2.516) 2.628 16.502 ( 0.588 -1.525 -4.265) 4.568 18.198 ( 0.300 0.911 -1.124) 1.477 18.255 ( 0.132 0.678 -1.989) 2.105======================= Grid point 211 (107/150) =======================q-point: (-0.25 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( 0.062 4.798 0.607) 4.837 1.104 ( -4.555 11.324 2.749) 12.512 1.668 ( 2.263 -6.340 3.130) 7.424 1.775 ( 0.864 -0.608 3.121) 3.295 1.902 ( -1.663 3.224 2.550) 4.434 2.206 ( 2.477 1.502 1.727) 3.372 2.237 ( -2.380 -10.845 0.180) 11.105 2.359 ( 1.051 6.131 4.301) 7.563 2.472 ( -1.179 2.870 -0.752) 3.192 2.655 ( -3.963 2.403 1.040) 4.750 2.802 ( 3.116 10.811 4.605) 12.157 2.869 ( 2.542 0.477 14.029) 14.266 3.220 ( -7.002 -3.063 -1.917) 7.879 3.471 ( 3.350 -2.002 -5.228) 6.524 3.573 ( -1.412 -0.825 0.239) 1.653 3.740 ( -0.397 -3.440 0.736) 3.540 4.013 ( 3.567 -7.589 -0.129) 8.387 4.363 ( -0.706 3.812 0.598) 3.922 4.698 ( -1.637 7.547 -4.801) 9.093 4.933 ( 0.405 4.805 0.400) 4.838 5.021 ( -0.253 -2.025 -1.814) 2.730 5.087 ( 0.056 -5.749 -2.414) 6.235 5.342 ( 1.227 0.879 0.132) 1.515 5.447 ( 0.284 -1.773 0.741) 1.943 5.628 ( 0.302 -1.291 -1.294) 1.852 6.532 ( -0.124 7.493 -0.683) 7.525 7.047 ( 0.005 0.211 -0.445) 0.493 7.342 ( 0.346 -6.079 0.389) 6.102 7.446 ( -1.227 -2.007 -0.690) 2.451 7.585 ( -0.655 -0.493 0.720) 1.092 7.632 ( 0.172 0.379 -0.819) 0.919 7.959 ( 0.221 -5.301 -0.261) 5.312 8.667 ( -0.209 3.999 0.397) 4.024 8.872 ( 0.424 15.953 -2.903) 16.221 9.197 ( -0.484 -3.488 -0.445) 3.549 9.292 ( -0.607 1.277 -1.039) 1.754 10.466 ( 0.806 -2.006 0.692) 2.270 10.953 ( 1.400 13.700 -5.221) 14.728 12.054 ( -0.430 -1.435 -0.201) 1.512 12.177 ( 0.122 -3.028 0.722) 3.115 12.294 ( 0.075 -0.237 0.035) 0.251 12.316 ( -0.062 -1.266 0.247) 1.292 15.969 ( -0.091 -0.098 0.987) 0.996 16.095 ( -0.074 -1.170 1.625) 2.004 16.329 ( -0.277 2.092 2.180) 3.034 16.513 ( 0.634 0.382 -4.467) 4.528 18.187 ( 0.671 0.540 -0.594) 1.046 18.266 ( 0.368 -1.750 -1.671) 2.448======================= Grid point 212 (108/150) =======================q-point: (-0.12 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.758 ( -0.106 10.186 2.384) 10.462 0.989 ( -1.228 0.531 5.009) 5.184 1.622 ( -0.032 24.901 2.441) 25.020 1.771 ( 2.026 -2.807 4.962) 6.050 1.852 ( -0.657 -1.472 -0.487) 1.684 2.148 ( 0.975 8.504 3.908) 9.410 2.196 ( -0.071 2.492 1.389) 2.853 2.402 ( -2.587 -4.341 0.202) 5.058 2.439 ( -0.179 -2.364 3.585) 4.299 2.567 ( -7.371 -1.224 -1.287) 7.582 2.790 ( 3.994 1.443 5.210) 6.722 2.919 ( 6.580 0.006 13.292) 14.832 3.243 ( -7.123 -4.497 0.038) 8.424 3.472 ( -0.821 -0.067 -3.133) 3.240 3.578 ( 2.432 -1.700 -1.487) 3.319 3.827 ( 1.564 -3.048 -1.805) 3.872 4.188 ( 1.056 -8.677 0.393) 8.750 4.284 ( -0.507 4.005 0.225) 4.044 4.549 ( -1.157 6.305 -3.159) 7.146 4.798 ( 0.383 9.602 0.081) 9.610 5.006 ( -1.231 0.135 -1.993) 2.346 5.250 ( 0.185 -7.744 -1.319) 7.858 5.318 ( 0.686 1.355 -1.637) 2.233 5.492 ( 0.600 -2.672 0.584) 2.800 5.653 ( 0.004 -1.209 -1.403) 1.852 6.366 ( 0.031 10.680 -0.724) 10.705 7.045 ( -0.009 -0.183 -0.203) 0.274 7.441 ( 0.325 -3.135 -0.150) 3.156 7.478 ( -1.577 -2.553 -0.032) 3.001 7.595 ( -0.216 -1.140 -0.209) 1.179 7.624 ( -0.296 0.386 -1.072) 1.177 8.096 ( 0.355 -9.290 -0.038) 9.297 8.476 ( -0.993 27.695 -5.523) 28.258 8.581 ( -0.256 5.027 0.527) 5.061 9.218 ( -0.062 0.951 0.542) 1.097 9.270 ( -0.324 0.221 -1.638) 1.685 10.491 ( -0.240 4.934 1.604) 5.193 10.644 ( 2.253 14.623 -7.246) 16.474 12.086 ( -0.095 -2.194 0.143) 2.201 12.234 ( -0.263 -2.821 0.100) 2.835 12.299 ( 0.014 -0.231 -0.071) 0.242 12.355 ( -0.234 -3.126 0.718) 3.216 15.974 ( -0.037 -0.364 1.089) 1.149 16.125 ( -0.319 -2.099 1.461) 2.577 16.275 ( -0.251 3.825 0.716) 3.900 16.489 ( 0.061 2.151 -2.951) 3.652 18.190 ( 1.811 0.070 -0.703) 1.944 18.313 ( 1.284 -2.866 -2.034) 3.742======================= Grid point 215 (109/150) =======================q-point: ( 0.25 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( 3.897 -0.000 2.326) 4.538 0.924 ( 5.356 -0.000 -0.863) 5.425 1.082 ( 6.546 -0.000 5.878) 8.798 1.829 ( -1.489 0.000 2.127) 2.597 1.959 ( -1.938 0.000 1.494) 2.447 1.961 ( -5.233 0.000 1.863) 5.555 2.187 ( 1.664 -0.000 -1.886) 2.515 2.247 ( -1.399 0.000 7.504) 7.633 2.486 ( -0.294 0.000 8.009) 8.015 2.695 ( 2.027 -0.000 -1.144) 2.327 2.742 ( 0.284 -0.000 0.605) 0.668 3.050 ( 4.051 -0.000 9.014) 9.882 3.413 ( 0.356 -0.000 5.292) 5.304 3.480 ( -1.670 0.000 -4.699) 4.987 3.596 ( -0.466 0.000 0.987) 1.092 3.821 ( 0.158 -0.000 -5.992) 5.995 4.204 ( -2.884 0.000 -1.719) 3.358 4.278 ( -0.168 0.000 -0.594) 0.617 4.472 ( -1.991 0.000 -1.317) 2.387 4.572 ( 0.124 -0.000 0.430) 0.448 5.050 ( 0.778 -0.000 0.667) 1.025 5.147 ( 0.509 -0.000 -2.588) 2.638 5.518 ( 0.069 -0.000 -0.298) 0.306 5.542 ( -0.040 0.000 0.748) 0.749 5.585 ( 0.070 -0.000 -2.221) 2.222 6.055 ( -0.644 0.000 -0.444) 0.782 7.071 ( -0.004 0.000 -0.171) 0.171 7.203 ( 0.420 -0.000 -0.312) 0.524 7.509 ( -0.087 0.000 0.225) 0.241 7.567 ( -1.693 0.000 -0.824) 1.883 7.696 ( 2.158 -0.000 0.682) 2.263 7.797 ( 0.242 -0.000 0.058) 0.249 8.357 ( -0.202 0.000 -0.472) 0.514 8.470 ( -0.386 0.000 0.539) 0.663 9.180 ( -0.068 0.000 0.123) 0.141 9.293 ( 2.208 -0.000 -1.072) 2.455 10.053 ( 0.209 -0.000 0.125) 0.243 10.654 ( -1.260 0.000 -5.039) 5.194 12.156 ( 1.314 -0.000 0.653) 1.467 12.263 ( -0.722 0.000 0.260) 0.768 12.294 ( -0.397 0.000 -0.192) 0.441 12.417 ( -1.322 0.000 1.167) 1.763 15.992 ( -0.076 0.000 1.000) 1.003 16.146 ( -2.836 0.000 1.330) 3.132 16.177 ( 0.904 -0.000 -0.150) 0.917 16.380 ( -1.067 0.000 0.871) 1.378 18.260 ( 2.206 -0.000 -3.721) 4.326 18.472 ( 3.409 -0.000 -7.139) 7.911======================= Grid point 216 (110/150) =======================q-point: ( 0.38 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 0.450 -1.788 1.404) 2.317 1.076 ( 0.275 -20.333 -0.194) 20.336 1.195 ( 9.903 -10.352 5.442) 15.325 1.804 ( -1.168 2.400 2.332) 3.544 1.840 ( -5.902 2.365 2.002) 6.666 2.033 ( -1.312 -2.071 -1.442) 2.844 2.176 ( -0.410 -1.245 0.512) 1.407 2.287 ( 0.800 -1.739 5.601) 5.919 2.451 ( -0.292 2.117 9.916) 10.143 2.632 ( -0.461 8.962 1.887) 9.171 2.796 ( 0.122 -5.823 -2.493) 6.336 3.147 ( 2.900 -4.078 11.126) 12.199 3.326 ( 2.985 10.730 1.213) 11.203 3.388 ( -3.881 0.580 -2.632) 4.725 3.650 ( 0.573 -0.482 -1.282) 1.484 3.834 ( -0.699 -1.965 -5.083) 5.494 4.198 ( -1.868 -2.529 -0.836) 3.253 4.246 ( -1.735 4.727 -0.636) 5.075 4.461 ( 0.199 -1.653 -0.099) 1.668 4.648 ( 0.203 -7.288 -0.205) 7.293 5.025 ( 1.450 1.748 0.417) 2.309 5.213 ( -0.064 -5.044 -2.075) 5.454 5.416 ( 0.603 8.072 -1.136) 8.174 5.536 ( -0.421 1.342 -0.244) 1.427 5.633 ( -0.143 -1.765 -1.064) 2.065 6.160 ( -0.100 -11.007 -0.363) 11.014 7.060 ( -0.264 0.723 -0.274) 0.817 7.363 ( -0.019 -11.095 -0.537) 11.108 7.521 ( 1.065 0.222 0.162) 1.099 7.560 ( -1.230 -1.933 -0.353) 2.318 7.671 ( 1.326 3.925 0.700) 4.201 7.923 ( -0.879 -16.055 -1.453) 16.145 8.279 ( 0.292 7.523 -0.309) 7.535 8.500 ( -0.269 -3.377 0.614) 3.443 9.195 ( 0.096 -1.736 0.332) 1.770 9.309 ( 2.150 0.015 -1.010) 2.375 10.181 ( -0.456 -13.661 -0.528) 13.679 10.608 ( -2.322 2.789 -4.357) 5.671 12.154 ( 1.341 1.355 0.633) 2.009 12.247 ( -0.640 1.343 0.346) 1.528 12.291 ( -0.147 0.056 -0.085) 0.179 12.388 ( -0.992 2.104 0.929) 2.505 15.987 ( -0.076 0.515 0.912) 1.051 16.115 ( -1.990 1.251 1.588) 2.837 16.218 ( 1.037 -3.546 -0.060) 3.695 16.396 ( -1.608 -2.125 0.277) 2.680 18.262 ( 1.827 1.029 -3.175) 3.804 18.448 ( 1.647 3.682 -7.084) 8.152======================= Grid point 217 (111/150) =======================q-point: ( 0.50 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( -1.011 -1.589 -0.003) 1.884 1.271 ( 9.656 -3.972 5.286) 11.702 1.623 ( -6.187 -18.713 0.604) 19.718 1.725 ( -1.499 5.636 1.646) 6.059 1.852 ( 0.081 -7.945 2.800) 8.424 2.024 ( -0.912 -2.210 -1.074) 2.621 2.211 ( -2.916 -0.575 -0.942) 3.117 2.303 ( 0.928 0.852 9.020) 9.108 2.422 ( -0.539 4.778 1.685) 5.095 2.523 ( 1.808 -1.118 8.576) 8.836 2.850 ( -4.769 -1.993 -4.724) 7.002 3.094 ( 2.226 8.506 6.751) 11.085 3.313 ( 6.631 -1.567 5.507) 8.761 3.367 ( -5.042 -1.339 0.569) 5.248 3.626 ( 1.292 2.232 -4.849) 5.493 3.855 ( -1.147 -2.076 -4.590) 5.166 4.065 ( -2.964 12.489 -0.363) 12.841 4.275 ( 0.124 -5.609 0.855) 5.675 4.544 ( 1.850 -5.881 0.826) 6.221 4.800 ( -0.089 -8.946 -0.780) 8.981 5.026 ( 1.923 -0.292 0.417) 1.989 5.252 ( 0.293 9.970 -2.250) 10.225 5.285 ( -0.939 -3.345 -2.263) 4.146 5.503 ( -0.322 2.075 0.021) 2.100 5.631 ( -0.148 0.912 -1.208) 1.521 6.376 ( 0.574 -11.640 -0.252) 11.657 7.049 ( -0.167 0.224 -0.314) 0.420 7.410 ( -0.987 3.385 -0.657) 3.587 7.529 ( 2.975 1.925 0.911) 3.659 7.594 ( -0.315 0.788 -0.134) 0.859 7.620 ( 0.306 -0.732 0.735) 1.082 8.084 ( -0.704 7.275 -1.109) 7.393 8.379 ( -0.145 -25.383 -2.026) 25.464 8.580 ( -0.010 -5.250 0.672) 5.293 9.238 ( 0.441 -2.389 0.878) 2.583 9.313 ( 1.765 1.220 -0.973) 2.356 10.477 ( 0.159 -12.566 -0.636) 12.583 10.547 ( -3.423 -5.120 -3.852) 7.265 12.130 ( 1.081 2.336 0.485) 2.619 12.207 ( -0.487 2.611 0.568) 2.717 12.290 ( 0.009 0.048 0.029) 0.057 12.343 ( -0.458 2.084 0.492) 2.190 15.978 ( -0.163 0.402 0.844) 0.949 16.087 ( -0.960 0.795 1.690) 2.100 16.299 ( 0.999 -4.064 0.273) 4.194 16.421 ( -1.467 -2.062 -0.742) 2.637 18.245 ( 1.108 1.605 -2.343) 3.048 18.367 ( 0.047 4.824 -5.325) 7.185======================= Grid point 218 (112/150) =======================q-point: (-0.38 -0.75 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 0.184 -4.435 -0.658) 4.487 1.403 ( 5.279 -3.409 4.735) 7.868 1.585 ( -0.078 8.447 1.249) 8.539 1.723 ( -4.841 -2.772 -1.740) 5.843 1.935 ( -1.559 -2.643 3.552) 4.694 2.091 ( -2.585 5.755 2.919) 6.951 2.212 ( 3.966 -4.994 3.904) 7.477 2.338 ( -2.354 -5.695 6.240) 8.770 2.382 ( -1.478 -0.186 0.215) 1.505 2.611 ( 1.299 -4.037 4.511) 6.191 2.841 ( -4.713 -3.358 1.263) 5.923 3.039 ( 2.831 -0.330 -0.696) 2.934 3.319 ( -4.306 2.537 5.031) 7.091 3.405 ( 6.942 -2.461 4.393) 8.576 3.579 ( 1.800 6.569 -4.240) 8.023 3.796 ( -6.982 8.994 -3.519) 11.917 3.902 ( 1.743 -1.522 -1.379) 2.693 4.367 ( -0.100 -3.924 1.012) 4.053 4.675 ( 2.726 -6.557 0.187) 7.103 4.928 ( -0.351 -4.887 -0.688) 4.948 5.039 ( 0.986 3.881 -1.526) 4.286 5.096 ( 0.202 3.402 -2.025) 3.964 5.318 ( -0.839 -1.498 -1.433) 2.236 5.461 ( -0.335 2.135 0.132) 2.165 5.614 ( 0.087 0.597 -1.313) 1.445 6.552 ( 0.456 -7.123 -0.408) 7.149 7.048 ( 0.171 -0.107 -0.355) 0.408 7.317 ( -0.644 5.044 -0.123) 5.087 7.476 ( 0.986 3.879 0.124) 4.005 7.587 ( 0.536 0.345 0.912) 1.113 7.640 ( 0.006 -0.415 -0.148) 0.441 7.958 ( -0.054 5.176 -0.705) 5.224 8.668 ( 0.065 -4.017 0.490) 4.047 8.780 ( -0.035 -18.075 -1.642) 18.150 9.255 ( 0.535 2.846 0.426) 2.927 9.301 ( 0.967 -0.123 -0.637) 1.164 10.458 ( -0.962 1.783 -1.119) 2.314 10.857 ( -0.347 -17.435 -2.578) 17.628 12.089 ( 0.521 2.757 0.219) 2.815 12.160 ( -0.257 2.094 0.772) 2.246 12.289 ( 0.006 -0.004 0.089) 0.090 12.314 ( -0.103 0.971 0.171) 0.991 15.972 ( -0.229 0.230 0.868) 0.927 16.077 ( -0.338 0.058 1.703) 1.737 16.351 ( -0.204 -1.047 1.655) 1.969 16.460 ( 0.308 -2.924 -2.788) 4.052 18.221 ( 0.580 1.416 -1.617) 2.226 18.286 ( -0.517 3.134 -3.261) 4.553======================= Grid point 219 (113/150) =======================q-point: (-0.25 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 0.050 0.335 -0.187) 0.387 1.337 ( -0.091 13.308 1.546) 13.398 1.559 ( 1.132 -5.810 3.116) 6.690 1.744 ( -0.601 -2.559 -1.035) 2.825 1.976 ( 0.461 4.275 7.012) 8.225 2.030 ( -3.369 -8.022 1.609) 8.848 2.242 ( 0.714 2.030 1.302) 2.515 2.391 ( 1.220 -0.991 5.172) 5.405 2.432 ( -3.139 -4.714 0.475) 5.684 2.665 ( 0.708 -0.828 4.167) 4.307 2.891 ( 1.231 -2.020 9.621) 9.908 3.060 ( -5.044 2.352 -3.322) 6.482 3.208 ( 0.816 12.186 1.024) 12.256 3.442 ( 0.365 -1.564 -1.354) 2.101 3.509 ( 6.148 -2.638 1.134) 6.785 3.693 ( -5.937 -0.745 -1.487) 6.165 3.951 ( 1.578 -2.693 -1.282) 3.374 4.399 ( -0.431 0.318 1.275) 1.383 4.776 ( 1.200 0.165 -4.399) 4.563 4.943 ( 0.094 0.195 -0.034) 0.220 4.970 ( -0.121 -0.731 -0.145) 0.755 5.090 ( -0.041 1.498 -2.939) 3.299 5.340 ( 0.253 -1.433 0.018) 1.456 5.435 ( -0.007 0.354 0.284) 0.454 5.612 ( 0.185 -0.430 -1.298) 1.380 6.612 ( 0.119 0.862 -0.653) 1.088 7.050 ( 0.135 0.097 -0.477) 0.505 7.268 ( -0.273 -0.974 0.367) 1.076 7.433 ( 0.018 1.147 -0.355) 1.201 7.582 ( -0.056 0.415 1.052) 1.132 7.639 ( 0.044 0.293 -0.540) 0.616 7.911 ( 0.084 -0.089 -0.478) 0.493 8.706 ( -0.053 0.112 0.354) 0.375 9.002 ( 0.193 -5.248 -0.491) 5.275 9.167 ( 0.124 4.644 -1.427) 4.860 9.307 ( 0.013 0.484 -0.274) 0.557 10.444 ( 0.036 -0.680 -0.260) 0.729 11.051 ( 0.436 -3.225 -3.076) 4.478 12.050 ( 0.003 1.365 -0.182) 1.378 12.144 ( -0.125 -0.549 0.859) 1.027 12.291 ( -0.024 -0.150 0.107) 0.186 12.306 ( 0.004 -0.023 0.065) 0.070 15.969 ( -0.138 0.044 0.921) 0.932 16.081 ( -0.240 -0.513 1.692) 1.784 16.352 ( -0.340 0.533 2.496) 2.574 16.502 ( 0.584 -1.410 -4.256) 4.521 18.203 ( 0.592 0.795 -1.153) 1.521 18.250 ( -0.121 0.249 -1.961) 1.981======================= Grid point 220 (114/150) =======================q-point: (-0.12 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( -0.355 4.236 0.882) 4.341 1.094 ( 2.301 12.190 2.897) 12.739 1.690 ( -0.506 -6.762 3.032) 7.428 1.788 ( 0.196 -2.341 0.416) 2.386 1.899 ( 0.831 6.125 5.026) 7.967 2.188 ( -3.197 -5.876 0.100) 6.690 2.233 ( -0.983 -6.174 2.785) 6.844 2.377 ( 0.662 7.027 3.218) 7.757 2.445 ( -2.285 1.220 -0.356) 2.615 2.602 ( -3.416 9.847 3.437) 10.974 2.855 ( 2.902 5.678 6.799) 9.321 2.971 ( 7.105 -0.807 9.681) 12.036 3.114 ( -6.850 -2.620 -2.168) 7.647 3.505 ( 1.503 2.785 -4.542) 5.536 3.551 ( -0.528 -3.413 -2.002) 3.992 3.750 ( 1.571 -6.486 1.797) 6.911 4.034 ( -0.676 -7.006 -0.976) 7.106 4.358 ( -0.185 3.888 1.106) 4.046 4.667 ( -1.402 7.747 -3.998) 8.830 4.937 ( 0.118 4.530 0.224) 4.537 5.018 ( 0.277 1.857 -1.529) 2.421 5.083 ( 0.153 -8.309 -2.281) 8.617 5.354 ( 0.418 0.678 -0.390) 0.887 5.454 ( 0.469 -2.016 0.444) 2.117 5.627 ( -0.012 -1.224 -1.293) 1.780 6.532 ( 0.239 7.536 -0.653) 7.568 7.046 ( -0.012 0.252 -0.416) 0.487 7.343 ( -0.273 -6.365 0.315) 6.378 7.434 ( -0.228 -1.305 -0.103) 1.328 7.579 ( -0.327 -0.272 0.774) 0.883 7.633 ( 0.201 0.467 -0.780) 0.931 7.961 ( 0.129 -5.416 -0.315) 5.426 8.665 ( -0.160 4.060 0.477) 4.091 8.862 ( -1.105 16.777 -2.363) 16.979 9.197 ( 0.615 -3.607 -0.404) 3.681 9.283 ( -0.263 1.601 -0.732) 1.780 10.477 ( 0.529 -2.446 0.266) 2.517 10.948 ( -0.638 13.765 -5.014) 14.664 12.052 ( 0.321 -1.427 -0.145) 1.470 12.176 ( -0.397 -2.910 0.759) 3.033 12.294 ( -0.142 -0.240 0.067) 0.287 12.317 ( 0.016 -1.244 0.225) 1.264 15.970 ( -0.026 -0.144 0.953) 0.964 16.094 ( -0.523 -1.131 1.643) 2.062 16.331 ( 0.050 2.184 2.135) 3.055 16.506 ( -0.366 0.504 -4.195) 4.241 18.201 ( 1.167 0.041 -1.228) 1.695 18.270 ( 0.865 -2.290 -1.808) 3.043======================= Grid point 224 (115/150) =======================q-point: ( 0.38 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( 1.442 -0.000 1.151) 1.845 0.897 ( -5.018 0.000 -1.267) 5.175 1.248 ( 11.342 -0.000 6.993) 13.325 1.823 ( 0.050 -0.000 2.743) 2.743 1.871 ( -9.445 0.000 -2.221) 9.702 1.907 ( -2.555 0.000 2.469) 3.553 2.197 ( 0.292 -0.000 -2.579) 2.596 2.292 ( 4.393 -0.000 6.816) 8.109 2.494 ( -1.407 0.000 11.516) 11.601 2.710 ( 0.448 -0.000 -1.177) 1.259 2.747 ( 0.188 -0.000 0.399) 0.441 3.110 ( 1.781 -0.000 8.453) 8.638 3.358 ( -5.838 0.000 -4.108) 7.139 3.516 ( 4.435 -0.000 3.607) 5.717 3.594 ( -0.151 0.000 1.056) 1.067 3.809 ( -0.161 0.000 -6.483) 6.485 4.153 ( -2.956 0.000 -2.770) 4.051 4.272 ( -0.478 0.000 -0.793) 0.926 4.460 ( 0.376 -0.000 0.594) 0.703 4.577 ( 0.320 -0.000 0.533) 0.622 5.065 ( 0.989 -0.000 0.835) 1.294 5.152 ( 0.891 -0.000 -2.651) 2.796 5.518 ( -0.006 0.000 -0.315) 0.315 5.540 ( -0.492 0.000 0.436) 0.658 5.587 ( 0.658 -0.000 -1.811) 1.926 6.050 ( 0.052 -0.000 -0.267) 0.272 7.065 ( -0.785 0.000 -0.555) 0.962 7.207 ( 0.255 -0.000 -0.325) 0.413 7.508 ( -0.083 0.000 0.214) 0.229 7.550 ( -0.540 0.000 -0.718) 0.898 7.723 ( 1.384 -0.000 0.603) 1.509 7.802 ( 0.319 -0.000 0.157) 0.356 8.355 ( -0.010 0.000 -0.714) 0.714 8.466 ( -0.323 0.000 0.514) 0.607 9.178 ( -0.150 0.000 0.073) 0.167 9.323 ( 1.964 -0.000 -1.078) 2.241 10.056 ( 0.074 -0.000 0.159) 0.175 10.612 ( -2.923 0.000 -4.401) 5.283 12.176 ( 1.067 -0.000 0.761) 1.310 12.255 ( -0.415 0.000 0.231) 0.475 12.291 ( 0.077 -0.000 -0.079) 0.110 12.402 ( -0.874 0.000 0.927) 1.274 15.993 ( -0.127 0.000 0.886) 0.895 16.114 ( -1.877 0.000 1.647) 2.497 16.191 ( 0.987 -0.000 -0.128) 0.996 16.365 ( -1.149 0.000 0.840) 1.423 18.283 ( 2.001 -0.000 -3.006) 3.611 18.482 ( 0.251 -0.000 -8.614) 8.618======================= Grid point 225 (116/150) =======================q-point: (-0.50 -0.62 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( -3.136 -0.274 0.766) 3.240 1.069 ( -1.371 -29.278 -0.340) 29.312 1.336 ( 7.368 -1.283 7.314) 10.461 1.757 ( -6.171 0.317 0.809) 6.232 1.808 ( 0.702 2.557 2.429) 3.595 1.981 ( -4.002 -4.403 -1.720) 6.194 2.172 ( -0.344 0.572 -0.156) 0.685 2.339 ( 4.047 -0.332 5.108) 6.525 2.468 ( -0.452 1.614 11.717) 11.837 2.636 ( 0.260 8.263 2.682) 8.691 2.774 ( -2.138 -3.086 -2.760) 4.659 3.201 ( 1.039 -5.451 9.741) 11.211 3.271 ( -6.262 4.169 -4.477) 8.754 3.420 ( 4.550 6.666 3.695) 8.876 3.653 ( 0.318 -0.559 -1.817) 1.927 3.807 ( -1.111 -0.969 -6.341) 6.510 4.178 ( -0.453 -4.582 -0.675) 4.653 4.225 ( -0.976 5.765 -0.390) 5.860 4.477 ( 1.606 -2.484 1.207) 3.195 4.649 ( 0.027 -6.986 -0.423) 6.999 5.049 ( 1.537 1.309 0.363) 2.051 5.208 ( 0.043 -4.210 -2.342) 4.818 5.424 ( 0.823 8.242 -1.531) 8.423 5.528 ( -0.647 1.164 0.145) 1.339 5.631 ( 0.238 -1.481 -1.131) 1.878 6.161 ( 0.256 -11.287 -0.247) 11.293 7.051 ( -0.701 0.426 -0.393) 0.910 7.363 ( 0.254 -10.454 -0.659) 10.478 7.540 ( 1.331 -1.736 -0.137) 2.192 7.547 ( -0.428 -1.990 -0.131) 2.040 7.688 ( 0.862 4.417 0.593) 4.539 7.911 ( -0.213 -14.244 -1.324) 14.307 8.284 ( 0.486 6.663 -0.627) 6.710 8.498 ( -0.158 -3.543 0.595) 3.596 9.197 ( 0.045 -2.095 0.304) 2.118 9.333 ( 1.255 0.112 -1.077) 1.657 10.176 ( -0.120 -13.085 -0.438) 13.092 10.562 ( -2.786 2.554 -3.136) 4.912 12.170 ( 0.553 1.351 0.738) 1.636 12.242 ( -0.107 1.355 0.201) 1.374 12.291 ( 0.163 0.074 -0.029) 0.181 12.379 ( -0.313 1.968 0.697) 2.112 15.986 ( -0.225 0.531 0.872) 1.045 16.097 ( -0.874 0.798 1.701) 2.072 16.233 ( 0.988 -3.664 -0.253) 3.803 16.376 ( -1.145 -1.710 0.579) 2.138 18.280 ( 1.499 1.408 -2.422) 3.177 18.435 ( -1.254 3.573 -7.725) 8.604======================= Grid point 226 (117/150) =======================q-point: (-0.38 -0.62 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( -1.297 -3.114 -0.028) 3.373 1.396 ( 3.957 -1.832 6.695) 7.990 1.522 ( -5.177 -16.783 -0.017) 17.563 1.718 ( 0.226 6.272 1.411) 6.432 1.871 ( 0.327 -13.949 1.572) 14.041 1.984 ( -3.408 -1.582 0.059) 3.758 2.178 ( -1.380 0.186 0.131) 1.399 2.357 ( 3.589 1.858 8.105) 9.057 2.425 ( 0.211 5.263 3.515) 6.333 2.566 ( 1.809 -1.430 7.803) 8.137 2.765 ( -5.441 -0.128 -3.026) 6.227 3.131 ( 0.080 6.356 -0.445) 6.372 3.281 ( -4.563 -2.116 5.915) 7.765 3.417 ( 4.897 -1.856 4.902) 7.173 3.628 ( 0.042 1.868 -4.352) 4.736 3.819 ( -1.870 -1.880 -6.208) 6.751 4.043 ( -0.142 13.085 0.481) 13.095 4.280 ( 0.404 -5.743 0.618) 5.790 4.577 ( 2.145 -6.396 1.158) 6.845 4.796 ( -0.279 -8.824 -1.010) 8.886 5.055 ( 1.761 -0.483 -0.062) 1.827 5.251 ( 0.374 10.868 -2.702) 11.205 5.270 ( -0.599 -3.016 -2.038) 3.688 5.496 ( -0.665 1.967 0.370) 2.109 5.630 ( 0.356 0.994 -1.285) 1.664 6.382 ( 0.242 -11.780 -0.245) 11.785 7.045 ( -0.182 -0.129 -0.277) 0.356 7.399 ( -0.313 3.462 -0.435) 3.503 7.564 ( 1.259 3.325 -0.152) 3.559 7.593 ( 0.606 -1.123 -0.018) 1.276 7.625 ( 0.128 0.242 0.747) 0.796 8.073 ( -0.439 5.950 -1.047) 6.058 8.391 ( 2.358 -23.848 -2.801) 24.128 8.581 ( 0.097 -5.397 0.564) 5.428 9.244 ( 0.094 -2.497 0.724) 2.601 9.329 ( 0.573 1.128 -1.103) 1.678 10.483 ( 0.601 -7.808 -1.321) 7.942 10.501 ( -1.578 -10.490 -2.102) 10.815 12.139 ( 0.007 2.334 0.510) 2.389 12.205 ( 0.096 2.696 0.464) 2.738 12.291 ( 0.065 0.104 0.006) 0.123 12.340 ( 0.020 2.012 0.431) 2.057 15.976 ( -0.304 0.408 0.897) 1.031 16.082 ( -0.118 0.576 1.678) 1.778 16.310 ( 0.280 -3.550 0.020) 3.561 16.408 ( 0.089 -2.615 -0.500) 2.664 18.254 ( 0.595 1.966 -1.897) 2.796 18.343 ( -1.680 4.235 -5.132) 6.863======================= Grid point 227 (118/150) =======================q-point: (-0.25 -0.62 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 0.093 -5.001 -0.876) 5.078 1.437 ( -2.744 -1.419 4.520) 5.474 1.592 ( -0.973 6.949 1.200) 7.119 1.671 ( 0.532 -4.606 -0.897) 4.722 1.934 ( -0.150 0.453 3.383) 3.416 2.080 ( 0.187 2.763 3.442) 4.418 2.244 ( 0.251 -11.050 1.514) 11.157 2.329 ( -0.937 3.713 2.650) 4.657 2.391 ( 2.332 -0.960 6.075) 6.578 2.638 ( 1.099 -3.134 4.574) 5.653 2.780 ( -4.270 -7.338 2.476) 8.844 3.044 ( -2.382 2.927 -3.386) 5.070 3.276 ( -1.683 -0.629 6.893) 7.123 3.508 ( 4.878 -1.860 1.871) 5.546 3.603 ( 1.121 0.721 -1.134) 1.750 3.701 ( -3.484 14.015 -3.835) 14.942 3.907 ( -0.304 -0.790 -1.909) 2.089 4.369 ( 0.128 -3.585 1.028) 3.732 4.715 ( 2.690 -6.636 -0.737) 7.198 4.921 ( -0.303 -4.920 -0.711) 4.981 5.048 ( 0.645 8.875 -1.811) 9.081 5.091 ( -0.151 -0.076 -2.297) 2.303 5.308 ( -0.223 -2.017 -0.879) 2.212 5.455 ( -0.576 1.897 0.409) 2.024 5.615 ( 0.377 0.665 -1.332) 1.535 6.554 ( -0.113 -7.031 -0.476) 7.048 7.049 ( 0.050 -0.242 -0.374) 0.448 7.312 ( 0.065 4.978 0.068) 4.979 7.484 ( 0.223 4.307 -0.222) 4.319 7.597 ( 0.538 0.788 0.515) 1.084 7.637 ( -0.348 -0.452 -0.073) 0.575 7.956 ( -0.010 5.002 -0.640) 5.043 8.670 ( -0.008 -4.051 0.427) 4.074 8.793 ( 2.283 -17.150 -2.221) 17.443 9.253 ( -0.862 2.721 0.286) 2.869 9.311 ( 0.539 0.300 -0.879) 1.074 10.446 ( -0.478 1.108 -0.557) 1.329 10.862 ( 1.817 -17.291 -2.813) 17.612 12.091 ( -0.386 2.814 0.143) 2.844 12.159 ( 0.001 2.154 0.792) 2.295 12.290 ( 0.017 0.021 0.061) 0.067 12.314 ( 0.064 0.978 0.180) 0.996 15.970 ( -0.236 0.159 0.938) 0.980 16.078 ( 0.015 0.111 1.660) 1.664 16.347 ( -0.775 -1.025 1.654) 2.095 16.467 ( 1.497 -2.809 -2.951) 4.340 18.222 ( -0.113 1.355 -1.619) 2.115 18.269 ( -0.721 2.345 -2.628) 3.595======================= Grid point 228 (119/150) =======================q-point: (-0.12 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 0.005 0.552 -0.279) 0.618 1.357 ( 2.192 12.283 1.528) 12.570 1.538 ( -4.528 -6.579 2.161) 8.274 1.739 ( 0.344 -2.902 -0.572) 2.977 2.000 ( -1.715 -7.518 3.443) 8.445 2.021 ( 3.650 4.634 7.054) 9.196 2.228 ( -2.569 3.613 0.175) 4.437 2.394 ( -1.512 -4.588 0.657) 4.875 2.432 ( 1.987 -0.008 5.302) 5.662 2.681 ( 0.047 0.008 4.239) 4.240 2.912 ( -2.944 -4.901 9.314) 10.929 2.986 ( -1.329 -0.550 -2.182) 2.614 3.238 ( 2.591 13.660 0.308) 13.907 3.439 ( -0.386 -2.625 -1.202) 2.913 3.551 ( -3.363 1.876 -3.670) 5.319 3.673 ( 5.798 -3.837 3.437) 7.756 3.937 ( -2.706 -3.339 -2.312) 4.880 4.401 ( 0.277 0.421 1.442) 1.527 4.778 ( 0.310 4.278 -4.849) 6.474 4.952 ( 0.879 -2.603 0.372) 2.772 4.967 ( -0.161 -0.877 -0.321) 0.948 5.082 ( -0.036 2.259 -2.755) 3.563 5.343 ( 0.043 -1.739 -0.154) 1.746 5.434 ( -0.099 -0.165 0.253) 0.318 5.612 ( 0.160 -0.288 -1.304) 1.345 6.613 ( 0.097 0.661 -0.670) 0.946 7.049 ( -0.171 0.166 -0.504) 0.557 7.268 ( 0.101 -0.820 0.453) 0.942 7.433 ( 0.115 1.351 -0.269) 1.383 7.584 ( -0.076 0.742 0.993) 1.242 7.638 ( -0.001 0.037 -0.539) 0.540 7.912 ( 0.069 -0.149 -0.483) 0.510 8.706 ( -0.048 0.189 0.353) 0.404 9.010 ( 0.913 -3.482 -0.548) 3.641 9.160 ( -0.533 3.588 -1.406) 3.890 9.306 ( 0.053 0.854 -0.252) 0.892 10.445 ( 0.103 -1.146 -0.253) 1.179 11.052 ( 0.582 -1.931 -3.088) 3.689 12.049 ( -0.082 1.060 -0.166) 1.076 12.143 ( -0.243 -0.430 0.868) 0.998 12.290 ( -0.044 -0.081 0.106) 0.141 12.306 ( 0.028 -0.025 0.064) 0.075 15.969 ( -0.099 -0.050 0.929) 0.935 16.080 ( -0.281 -0.300 1.684) 1.734 16.352 ( -0.366 0.074 2.479) 2.507 16.502 ( 0.616 -0.464 -4.223) 4.293 18.206 ( 0.024 0.233 -1.506) 1.524 18.248 ( 0.432 -0.345 -1.635) 1.726======================= Grid point 233 (120/150) =======================q-point: (-0.50 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( -1.790 0.000 1.337) 2.234 0.822 ( -4.517 0.000 0.620) 4.559 1.397 ( 6.431 -0.000 8.206) 10.426 1.705 ( -12.020 0.000 -1.823) 12.158 1.840 ( 1.382 -0.000 2.579) 2.926 1.900 ( 0.896 -0.000 2.272) 2.442 2.186 ( -0.986 0.000 -2.574) 2.756 2.367 ( 3.965 -0.000 1.667) 4.301 2.498 ( -1.336 0.000 16.267) 16.322 2.703 ( -1.033 0.000 -1.103) 1.511 2.750 ( 0.118 -0.000 0.580) 0.592 3.114 ( -4.024 0.000 0.468) 4.051 3.281 ( -3.482 0.000 6.113) 7.036 3.588 ( 4.805 -0.000 -0.261) 4.812 3.596 ( 0.172 -0.000 0.950) 0.965 3.794 ( 0.399 -0.000 -6.903) 6.915 4.122 ( -0.731 0.000 -2.081) 2.205 4.263 ( -0.404 0.000 -0.651) 0.766 4.476 ( 1.241 -0.000 0.967) 1.573 4.582 ( 0.273 -0.000 0.424) 0.504 5.078 ( 0.502 -0.000 0.648) 0.820 5.160 ( 1.011 -0.000 -3.057) 3.220 5.517 ( -0.038 0.000 -0.292) 0.295 5.531 ( -0.723 0.000 0.525) 0.894 5.594 ( 0.771 -0.000 -1.861) 2.015 6.055 ( 0.703 -0.000 -0.447) 0.832 7.051 ( -0.725 0.000 -0.447) 0.852 7.209 ( -0.016 0.000 -0.314) 0.315 7.508 ( -0.064 0.000 0.231) 0.239 7.548 ( 0.451 -0.000 -0.742) 0.868 7.737 ( 0.433 -0.000 0.350) 0.557 7.806 ( 0.234 -0.000 0.096) 0.253 8.353 ( -0.039 0.000 -0.881) 0.882 8.464 ( -0.119 0.000 0.525) 0.539 9.176 ( -0.168 0.000 0.113) 0.203 9.338 ( 0.408 -0.000 -1.255) 1.319 10.056 ( -0.120 0.000 0.211) 0.243 10.563 ( -2.572 0.000 -2.599) 3.657 12.184 ( -0.168 0.000 0.871) 0.887 12.254 ( 0.262 -0.000 -0.021) 0.263 12.293 ( 0.167 -0.000 -0.091) 0.190 12.400 ( 0.556 -0.000 0.563) 0.791 15.991 ( -0.297 0.000 0.907) 0.954 16.103 ( -0.126 0.000 1.737) 1.742 16.201 ( 0.432 -0.000 -0.306) 0.530 16.354 ( -0.559 0.000 1.026) 1.168 18.303 ( 1.354 -0.000 -2.200) 2.583 18.446 ( -2.751 0.000 -8.497) 8.931======================= Grid point 234 (121/150) =======================q-point: (-0.38 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( -1.943 -0.503 2.346) 3.087 1.035 ( -3.292 -30.055 1.203) 30.258 1.414 ( -0.109 0.459 6.424) 6.441 1.663 ( -5.627 -4.360 1.099) 7.203 1.827 ( 1.197 3.542 1.651) 4.087 1.952 ( 0.414 -2.798 1.116) 3.040 2.164 ( -0.636 0.192 -0.355) 0.753 2.399 ( 2.803 -0.730 -0.285) 2.910 2.494 ( 0.700 1.648 16.032) 16.131 2.648 ( 0.497 5.995 3.021) 6.732 2.734 ( -2.451 0.156 -1.989) 3.160 3.113 ( -10.160 -2.906 -4.207) 11.373 3.280 ( 2.830 -0.360 12.293) 12.619 3.477 ( 2.386 6.446 0.779) 6.917 3.652 ( 0.292 0.725 -3.035) 3.134 3.790 ( 0.905 0.024 -6.374) 6.438 4.177 ( 0.225 -5.568 -0.444) 5.590 4.220 ( 0.441 5.515 -0.162) 5.535 4.501 ( 1.142 -2.823 0.890) 3.173 4.646 ( -0.225 -6.551 -0.565) 6.579 5.066 ( 0.764 0.765 -0.265) 1.113 5.205 ( 0.243 -3.479 -2.404) 4.236 5.433 ( 0.847 8.126 -2.036) 8.420 5.520 ( -0.585 1.231 0.576) 1.480 5.635 ( 0.646 -1.479 -1.284) 2.063 6.165 ( 0.255 -11.101 -0.382) 11.111 7.044 ( -0.145 0.177 -0.060) 0.236 7.368 ( 0.741 -9.893 -0.909) 9.962 7.541 ( -0.314 -2.709 0.062) 2.728 7.561 ( 1.461 -2.298 -0.926) 2.876 7.696 ( 0.119 4.365 0.212) 4.372 7.914 ( 0.972 -14.317 -1.529) 14.431 8.288 ( 0.135 5.824 -0.990) 5.909 8.498 ( 0.021 -3.642 0.586) 3.689 9.198 ( -0.079 -2.321 0.266) 2.338 9.336 ( -0.542 0.070 -1.280) 1.392 10.177 ( 0.442 -13.372 -0.535) 13.390 10.525 ( -1.537 2.136 -1.184) 2.885 12.170 ( -0.752 1.303 0.777) 1.693 12.246 ( 0.581 1.357 -0.026) 1.476 12.293 ( 0.050 0.115 -0.132) 0.182 12.385 ( 0.935 2.273 0.445) 2.498 15.984 ( -0.360 0.541 0.969) 1.166 16.098 ( 0.597 0.797 1.707) 1.976 16.241 ( 0.168 -3.791 -0.661) 3.852 16.370 ( 0.182 -1.761 0.898) 1.985 18.290 ( 0.175 1.770 -2.105) 2.756 18.387 ( -3.018 2.876 -6.533) 7.750======================= Grid point 235 (122/150) =======================q-point: (-0.25 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( -0.423 -3.889 1.004) 4.039 1.322 ( -11.236 -6.460 4.212) 13.628 1.571 ( 6.836 -9.105 3.568) 11.931 1.735 ( 1.561 6.580 1.012) 6.838 1.824 ( -5.916 -20.860 -0.438) 21.687 1.977 ( 1.522 1.049 3.523) 3.978 2.174 ( 0.579 -0.511 0.465) 0.901 2.416 ( 2.321 0.981 0.992) 2.708 2.447 ( 1.636 6.267 8.198) 10.448 2.609 ( 2.216 -0.792 7.689) 8.041 2.692 ( -4.063 0.420 -0.148) 4.088 3.051 ( -9.143 0.948 -1.824) 9.371 3.300 ( 3.655 2.756 6.577) 8.013 3.474 ( 1.519 -4.277 4.907) 6.684 3.605 ( -1.988 2.471 -4.184) 5.250 3.789 ( -0.229 0.384 -6.436) 6.451 4.060 ( 2.162 12.211 0.633) 12.417 4.287 ( 0.344 -5.531 0.258) 5.548 4.602 ( 0.976 -7.046 -0.112) 7.114 4.789 ( -0.318 -8.883 -0.834) 8.928 5.070 ( 0.391 -0.642 -1.301) 1.502 5.252 ( 0.242 9.448 -2.807) 9.859 5.265 ( 0.737 -0.694 -1.355) 1.691 5.487 ( -0.692 1.967 0.760) 2.219 5.636 ( 0.766 1.146 -1.357) 1.934 6.381 ( -0.303 -11.624 -0.431) 11.636 7.045 ( 0.154 -0.204 -0.100) 0.275 7.400 ( 0.599 3.526 -0.159) 3.580 7.561 ( -1.061 2.401 -0.597) 2.692 7.609 ( 0.992 -0.527 -0.657) 1.301 7.627 ( 0.046 1.145 0.483) 1.243 8.070 ( 0.309 6.179 -0.635) 6.220 8.429 ( 3.691 -23.981 -4.516) 24.680 8.584 ( 0.150 -5.557 0.373) 5.572 9.242 ( -0.514 -2.198 0.547) 2.323 9.324 ( -0.771 0.632 -1.406) 1.723 10.475 ( -0.305 2.360 -0.065) 2.380 10.513 ( 2.698 -21.720 -2.694) 22.053 12.132 ( -1.110 2.229 0.433) 2.528 12.212 ( 0.661 2.913 0.299) 3.002 12.291 ( 0.044 0.101 -0.079) 0.136 12.345 ( 0.471 2.380 0.428) 2.463 15.974 ( -0.302 0.364 1.011) 1.117 16.090 ( 0.643 0.801 1.632) 1.929 16.306 ( -0.818 -3.045 0.089) 3.154 16.423 ( 2.012 -3.180 -0.959) 3.884 18.246 ( -1.537 2.015 -2.177) 3.341 18.310 ( -1.096 3.076 -3.211) 4.580======================= Grid point 236 (123/150) =======================q-point: (-0.12 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 0.064 -5.108 -0.617) 5.145 1.344 ( -9.939 -5.578 2.938) 11.770 1.590 ( 1.191 7.358 1.371) 7.579 1.712 ( 3.149 -1.216 2.105) 3.978 1.935 ( -0.782 0.632 3.128) 3.286 2.105 ( 2.281 -1.953 2.086) 3.656 2.260 ( 1.665 -9.884 2.990) 10.459 2.317 ( -1.085 7.363 1.499) 7.592 2.447 ( 2.974 -0.839 4.276) 5.276 2.663 ( 1.111 -1.969 4.669) 5.188 2.737 ( -2.323 -9.328 4.970) 10.822 2.966 ( -6.866 1.147 -0.555) 6.984 3.294 ( 1.377 -0.117 5.458) 5.630 3.527 ( -3.847 1.234 -5.226) 6.606 3.571 ( -0.231 2.789 0.053) 2.799 3.726 ( 3.664 4.146 1.211) 5.664 3.902 ( 1.099 4.622 -1.797) 5.079 4.373 ( 0.026 -3.702 0.689) 3.766 4.739 ( 0.882 -6.897 -2.892) 7.531 4.919 ( 0.151 -5.061 -0.163) 5.066 5.046 ( -0.420 10.034 -2.214) 10.284 5.087 ( 0.366 -0.352 -2.147) 2.206 5.309 ( 0.574 -2.085 -0.248) 2.176 5.448 ( -0.524 1.712 0.675) 1.914 5.619 ( 0.556 0.912 -1.327) 1.703 6.547 ( -0.538 -7.191 -0.603) 7.236 7.049 ( -0.011 -0.074 -0.399) 0.406 7.319 ( 0.768 5.104 0.273) 5.169 7.481 ( -0.540 3.963 -0.575) 4.041 7.601 ( -0.191 1.043 0.395) 1.131 7.632 ( -0.215 -0.497 -0.261) 0.601 7.955 ( 0.093 4.971 -0.490) 4.995 8.670 ( -0.053 -4.033 0.370) 4.050 8.828 ( 3.088 -16.196 -2.937) 16.748 9.234 ( -1.635 3.061 0.036) 3.470 9.311 ( -0.148 -0.056 -1.082) 1.093 10.444 ( 0.305 0.974 0.196) 1.039 10.893 ( 3.188 -16.281 -3.666) 16.990 12.080 ( -1.035 2.455 -0.003) 2.664 12.163 ( 0.332 2.526 0.787) 2.667 12.290 ( 0.088 0.045 0.028) 0.103 12.316 ( 0.077 1.129 0.207) 1.150 15.969 ( -0.191 0.082 0.995) 1.017 16.083 ( 0.254 0.464 1.625) 1.709 16.338 ( -0.874 -1.414 1.832) 2.473 16.487 ( 1.975 -1.944 -3.505) 4.469 18.207 ( -1.299 0.678 -1.594) 2.165 18.262 ( 0.242 1.688 -1.655) 2.376======================= Grid point 242 (124/150) =======================q-point: (-0.38 -0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( -3.680 0.000 2.749) 4.594 0.785 ( -1.292 0.000 3.911) 4.119 1.376 ( -13.080 0.000 3.175) 13.460 1.621 ( 2.211 -0.000 6.099) 6.487 1.866 ( 1.402 -0.000 1.482) 2.040 1.938 ( 3.590 -0.000 1.492) 3.888 2.162 ( -1.611 0.000 -1.811) 2.424 2.393 ( -0.248 0.000 -0.503) 0.561 2.540 ( 2.220 -0.000 18.708) 18.839 2.680 ( -1.840 0.000 -0.318) 1.867 2.753 ( 0.073 -0.000 0.481) 0.486 2.998 ( -10.085 0.000 -5.269) 11.378 3.290 ( 0.548 -0.000 14.083) 14.094 3.602 ( 0.318 -0.000 0.737) 0.803 3.641 ( 2.987 -0.000 -4.481) 5.385 3.803 ( 2.824 -0.000 -6.741) 7.309 4.118 ( 0.691 -0.000 -1.234) 1.414 4.259 ( -0.043 0.000 -0.283) 0.286 4.491 ( 0.580 -0.000 0.032) 0.581 4.585 ( 0.044 -0.000 0.190) 0.195 5.080 ( -0.383 0.000 0.225) 0.444 5.168 ( 0.960 -0.000 -3.405) 3.538 5.516 ( -0.010 0.000 -0.242) 0.242 5.524 ( -0.429 0.000 0.810) 0.916 5.601 ( 0.765 -0.000 -2.077) 2.214 6.064 ( 0.703 -0.000 -0.929) 1.165 7.047 ( 0.223 -0.000 0.163) 0.277 7.206 ( -0.229 0.000 -0.285) 0.366 7.507 ( -0.067 0.000 0.250) 0.259 7.557 ( 0.994 -0.000 -0.835) 1.298 7.736 ( -0.624 0.000 -0.068) 0.628 7.808 ( 0.052 -0.000 -0.078) 0.094 8.349 ( -0.322 0.000 -0.783) 0.846 8.465 ( 0.110 -0.000 0.570) 0.581 9.174 ( -0.113 0.000 0.219) 0.247 9.328 ( -1.455 0.000 -1.445) 2.050 10.053 ( -0.260 0.000 0.251) 0.361 10.535 ( -0.760 0.000 -0.188) 0.783 12.175 ( -1.222 0.000 0.845) 1.486 12.262 ( 0.752 -0.000 -0.143) 0.766 12.294 ( 0.049 -0.000 -0.275) 0.279 12.419 ( 1.803 -0.000 0.069) 1.804 15.988 ( -0.356 0.000 1.029) 1.089 16.118 ( 1.713 -0.000 1.703) 2.415 16.200 ( -0.469 0.000 -0.567) 0.736 16.356 ( 0.389 -0.000 1.305) 1.362 18.301 ( -1.750 0.000 -2.915) 3.400 18.384 ( -2.802 0.000 -5.543) 6.211======================= Grid point 243 (125/150) =======================q-point: (-0.25 -0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( -0.509 -0.369 4.506) 4.549 0.984 ( -4.426 -27.009 3.539) 27.598 1.320 ( -12.062 -8.788 1.663) 15.017 1.659 ( 2.891 -0.788 6.728) 7.365 1.848 ( 1.244 3.903 0.798) 4.173 1.985 ( 3.279 -1.483 1.474) 3.890 2.155 ( -0.563 -1.085 -0.007) 1.222 2.414 ( -0.071 -2.112 -0.505) 2.173 2.553 ( 2.602 2.930 14.478) 14.999 2.658 ( -0.103 1.564 3.358) 3.706 2.706 ( -0.787 3.506 -0.638) 3.649 2.952 ( -11.031 -2.678 -1.706) 11.479 3.348 ( 2.429 -3.712 13.284) 14.005 3.492 ( 0.426 7.833 -1.086) 7.920 3.645 ( -0.487 2.546 -5.261) 5.865 3.808 ( 2.940 1.178 -5.760) 6.574 4.183 ( 0.862 -4.868 -0.217) 4.949 4.233 ( 1.270 3.719 0.035) 3.930 4.509 ( -0.122 -2.812 -0.561) 2.870 4.642 ( -0.252 -6.203 -0.373) 6.219 5.067 ( -0.451 0.458 -1.048) 1.229 5.206 ( 0.623 -3.184 -2.186) 3.912 5.438 ( 0.426 7.501 -2.337) 7.868 5.517 ( 0.142 1.835 0.687) 1.965 5.643 ( 0.847 -1.707 -1.475) 2.409 6.167 ( 0.201 -10.668 -0.609) 10.687 7.047 ( 0.403 0.220 0.322) 0.561 7.381 ( 1.262 -9.805 -1.445) 9.991 7.535 ( -0.496 -2.174 -0.057) 2.231 7.578 ( 1.211 -2.609 -1.427) 3.211 7.691 ( -0.878 3.888 -0.254) 3.994 7.932 ( 2.036 -16.675 -2.242) 16.948 8.283 ( -0.461 5.529 -0.995) 5.637 8.500 ( 0.134 -3.625 0.580) 3.673 9.196 ( -0.216 -2.233 0.263) 2.259 9.315 ( -1.781 -0.177 -1.402) 2.273 10.187 ( 1.044 -14.657 -1.037) 14.731 10.516 ( 0.403 1.893 0.831) 2.106 12.155 ( -1.429 1.295 0.669) 2.042 12.256 ( 0.866 1.322 -0.154) 1.588 12.293 ( 0.104 0.112 -0.272) 0.312 12.403 ( 1.357 2.902 0.150) 3.207 15.981 ( -0.295 0.524 1.101) 1.255 16.119 ( 1.665 1.308 1.649) 2.684 16.236 ( -0.656 -3.688 -0.910) 3.855 16.385 ( 1.536 -2.461 0.807) 3.011 18.258 ( -3.952 1.599 -3.114) 5.279 18.348 ( -0.631 2.008 -2.843) 3.538======================= Grid point 244 (126/150) =======================q-point: (-0.12 -0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.814 ( -0.923 -4.106 2.067) 4.689 1.161 ( -11.716 -6.144 4.103) 13.851 1.659 ( 3.296 -8.660 3.028) 9.748 1.721 ( -4.281 -9.953 3.444) 11.369 1.791 ( 2.860 -4.664 0.381) 5.485 2.021 ( 3.630 -0.437 3.033) 4.751 2.189 ( 0.998 -2.468 0.643) 2.739 2.433 ( 0.387 1.724 0.811) 1.944 2.475 ( -0.585 5.679 2.246) 6.135 2.661 ( 1.729 -0.433 7.149) 7.368 2.668 ( 1.743 0.593 4.404) 4.773 2.909 ( -10.100 -0.822 3.748) 10.804 3.360 ( 2.151 5.620 0.649) 6.052 3.487 ( -0.621 -7.310 7.212) 10.288 3.561 ( -2.445 4.199 -4.861) 6.873 3.789 ( 1.750 2.485 -5.426) 6.219 4.102 ( 3.387 10.690 0.603) 11.230 4.290 ( 0.105 -5.060 0.022) 5.061 4.600 ( -0.789 -7.462 -2.152) 7.806 4.786 ( 0.134 -9.144 -0.163) 9.146 5.060 ( -1.149 -0.376 -2.342) 2.636 5.249 ( 0.210 6.116 -2.042) 6.451 5.283 ( 1.834 2.432 -1.342) 3.329 5.481 ( -0.298 2.149 1.010) 2.393 5.645 ( 0.825 1.292 -1.411) 2.084 6.374 ( -0.402 -11.245 -0.631) 11.269 7.047 ( 0.100 -0.008 -0.057) 0.116 7.414 ( 1.225 3.582 0.001) 3.786 7.538 ( -1.869 2.103 -0.797) 2.924 7.611 ( -0.319 0.258 -0.706) 0.817 7.630 ( 0.219 0.962 -0.366) 1.053 8.078 ( 0.752 7.489 -0.220) 7.530 8.469 ( 3.117 -25.148 -6.019) 26.045 8.586 ( -0.024 -5.642 0.158) 5.645 9.232 ( -0.893 -1.585 0.502) 1.887 9.305 ( -1.293 -0.050 -1.698) 2.135 10.479 ( 0.493 1.364 1.096) 1.818 10.556 ( 4.241 -21.612 -4.242) 22.429 12.113 ( -1.476 2.174 0.293) 2.644 12.223 ( 0.797 3.041 0.122) 3.146 12.293 ( 0.217 0.082 -0.124) 0.263 12.353 ( 0.351 2.927 0.466) 2.984 15.972 ( -0.199 0.330 1.089) 1.155 16.105 ( 0.940 1.347 1.586) 2.284 16.292 ( -1.012 -3.089 0.350) 3.270 16.455 ( 2.584 -3.091 -1.933) 4.468 18.206 ( -2.686 0.882 -1.574) 3.236 18.302 ( 0.245 2.571 -1.721) 3.104======================= Grid point 251 (127/150) =======================q-point: (-0.25 -0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( -4.086 0.000 4.205) 5.863 0.779 ( -2.639 0.000 6.105) 6.651 1.159 ( -14.612 0.000 3.148) 14.947 1.698 ( 4.697 -0.000 9.152) 10.287 1.884 ( 0.867 -0.000 0.110) 0.874 2.002 ( 4.776 -0.000 1.115) 4.904 2.136 ( -1.649 0.000 -0.864) 1.862 2.380 ( -1.371 0.000 3.119) 3.407 2.625 ( 4.348 -0.000 16.444) 17.009 2.652 ( -1.948 0.000 0.487) 2.008 2.753 ( -0.150 0.000 0.251) 0.292 2.829 ( -11.615 0.000 -5.034) 12.659 3.329 ( 0.428 -0.000 15.032) 15.038 3.607 ( 0.229 -0.000 0.552) 0.597 3.656 ( 0.810 -0.000 -7.042) 7.089 3.833 ( 2.894 -0.000 -7.898) 8.412 4.139 ( 2.476 -0.000 0.144) 2.480 4.261 ( 0.296 -0.000 0.077) 0.305 4.494 ( 0.236 -0.000 -0.989) 1.016 4.584 ( -0.197 0.000 -0.028) 0.199 5.069 ( -0.977 0.000 -0.126) 0.985 5.174 ( 0.784 -0.000 -3.676) 3.759 5.516 ( 0.027 -0.000 -0.206) 0.208 5.524 ( 0.232 -0.000 0.846) 0.877 5.607 ( 0.688 -0.000 -2.337) 2.436 6.071 ( 0.484 -0.000 -1.182) 1.277 7.055 ( 0.520 -0.000 0.533) 0.745 7.202 ( -0.302 0.000 -0.272) 0.406 7.507 ( -0.044 0.000 0.288) 0.292 7.574 ( 1.545 -0.000 -0.723) 1.706 7.718 ( -1.937 0.000 -0.480) 1.995 7.807 ( -0.162 0.000 -0.286) 0.329 8.344 ( -0.114 0.000 -0.234) 0.260 8.469 ( 0.227 -0.000 0.620) 0.660 9.174 ( -0.005 0.000 0.334) 0.334 9.297 ( -2.064 0.000 -1.397) 2.492 10.050 ( -0.263 0.000 0.255) 0.366 10.542 ( 1.393 -0.000 1.567) 2.097 12.157 ( -1.400 0.000 0.682) 1.558 12.273 ( 0.798 -0.000 -0.157) 0.813 12.295 ( 0.236 -0.000 -0.403) 0.467 12.444 ( 1.520 -0.000 -0.413) 1.575 15.986 ( -0.212 0.000 1.158) 1.177 16.155 ( 2.824 -0.000 1.330) 3.122 16.188 ( -0.903 0.000 -0.679) 1.129 16.368 ( 0.856 -0.000 1.435) 1.671 18.235 ( -5.227 0.000 -2.884) 5.970 18.362 ( 0.061 -0.000 -2.098) 2.099======================= Grid point 252 (128/150) =======================q-point: (-0.12 -0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( -6.217 -1.113 4.777) 7.919 0.936 ( -2.803 -20.569 6.295) 21.693 1.161 ( -8.661 -17.281 1.014) 19.357 1.727 ( 3.834 1.021 8.346) 9.241 1.866 ( 1.203 2.956 0.285) 3.204 2.041 ( 3.835 -0.462 1.485) 4.139 2.146 ( -0.767 -2.275 0.132) 2.405 2.408 ( -0.535 -2.671 1.461) 3.091 2.591 ( -1.696 6.045 6.134) 8.778 2.672 ( 1.455 -0.874 4.935) 5.219 2.707 ( -0.105 1.257 -0.676) 1.431 2.816 ( -6.483 -3.125 5.144) 8.846 3.376 ( -2.472 -3.384 11.468) 12.210 3.512 ( 2.811 8.000 0.165) 8.482 3.617 ( -1.178 3.503 -7.339) 8.217 3.837 ( 2.297 1.260 -5.599) 6.182 4.203 ( 1.821 -3.984 0.301) 4.391 4.253 ( 1.347 2.520 0.289) 2.872 4.500 ( -0.485 -1.944 -1.740) 2.653 4.639 ( -0.080 -6.306 -0.011) 6.306 5.051 ( -1.277 0.654 -1.571) 2.128 5.213 ( 0.870 -3.487 -1.936) 4.082 5.434 ( -0.256 6.705 -2.061) 7.019 5.526 ( 0.864 2.694 0.131) 2.832 5.651 ( 0.649 -1.963 -1.700) 2.677 6.169 ( 0.328 -10.268 -0.754) 10.300 7.052 ( 0.172 0.465 0.359) 0.612 7.394 ( 1.012 -10.382 -2.382) 10.700 7.525 ( -0.911 -1.298 -0.029) 1.586 7.592 ( 1.223 -1.463 -1.392) 2.361 7.671 ( -1.769 2.941 -0.500) 3.468 7.956 ( 1.815 -20.101 -3.290) 20.449 8.274 ( -0.400 6.392 -0.326) 6.413 8.503 ( 0.097 -3.468 0.573) 3.516 9.193 ( -0.234 -1.871 0.324) 1.913 9.287 ( -1.596 -0.471 -1.388) 2.167 10.200 ( 1.001 -16.190 -1.680) 16.307 10.539 ( 2.435 1.830 1.436) 3.367 12.136 ( -1.279 1.372 0.503) 1.942 12.267 ( 0.623 1.301 -0.262) 1.466 12.296 ( 0.360 0.097 -0.288) 0.471 12.419 ( 0.623 3.395 0.033) 3.452 15.980 ( -0.142 0.525 1.195) 1.313 16.147 ( 1.658 2.059 1.437) 3.008 16.223 ( -0.780 -3.437 -0.894) 3.636 16.412 ( 1.855 -3.326 0.158) 3.811 18.195 ( -3.286 0.391 -1.150) 3.503 18.344 ( 0.381 1.868 -1.790) 2.615======================= Grid point 260 (129/150) =======================q-point: (-0.12 -0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( -2.889 0.000 4.941) 5.723 0.686 ( -10.838 0.000 6.049) 12.412 1.045 ( -2.514 0.000 5.343) 5.905 1.780 ( 4.078 -0.000 9.640) 10.467 1.890 ( -0.009 0.000 -0.438) 0.438 2.068 ( 3.504 -0.000 1.669) 3.882 2.115 ( -0.714 0.000 -0.841) 1.103 2.378 ( -0.059 0.000 5.820) 5.820 2.630 ( -1.176 0.000 0.657) 1.347 2.649 ( -11.505 0.000 -0.829) 11.535 2.732 ( 5.703 -0.000 11.035) 12.422 2.749 ( -0.370 0.000 0.120) 0.389 3.355 ( -1.110 0.000 14.448) 14.490 3.610 ( -0.047 0.000 0.496) 0.498 3.637 ( -1.197 0.000 -8.400) 8.485 3.849 ( 1.665 -0.000 -8.646) 8.805 4.184 ( 3.119 -0.000 1.411) 3.424 4.267 ( 0.443 -0.000 0.237) 0.502 4.499 ( 0.864 -0.000 -1.216) 1.491 4.580 ( -0.326 0.000 -0.118) 0.347 5.055 ( -0.939 0.000 -0.207) 0.962 5.174 ( 0.234 -0.000 -4.015) 4.022 5.516 ( 0.053 -0.000 -0.207) 0.214 5.532 ( 0.508 -0.000 0.549) 0.748 5.609 ( 0.303 -0.000 -2.637) 2.655 6.074 ( 0.307 -0.000 -1.065) 1.108 7.061 ( 0.238 -0.000 0.438) 0.498 7.197 ( -0.196 0.000 -0.285) 0.346 7.508 ( 0.018 -0.000 0.341) 0.341 7.598 ( 1.994 -0.000 -0.416) 2.037 7.681 ( -2.886 0.000 -0.576) 2.943 7.803 ( -0.301 0.000 -0.420) 0.516 8.347 ( 0.553 -0.000 0.260) 0.611 8.473 ( 0.160 -0.000 0.641) 0.661 9.175 ( 0.092 -0.000 0.390) 0.401 9.270 ( -1.224 0.000 -1.249) 1.748 10.048 ( -0.128 0.000 0.221) 0.255 10.579 ( 3.255 -0.000 1.116) 3.441 12.141 ( -0.927 0.000 0.520) 1.063 12.281 ( 0.343 -0.000 -0.262) 0.431 12.300 ( 0.440 -0.000 -0.354) 0.565 12.456 ( 0.120 -0.000 -0.347) 0.367 15.987 ( -0.067 0.000 1.248) 1.250 16.175 ( -0.722 0.000 -0.627) 0.956 16.194 ( 2.052 -0.000 0.480) 2.107 16.383 ( 0.674 -0.000 1.392) 1.546 18.178 ( -1.583 0.000 -0.241) 1.601 18.363 ( 0.653 -0.000 -1.964) 2.069======================= Grid point 261 (130/150) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( -0.000 0.000 0.000) 0.000 0.665 ( -0.000 0.000 0.000) 0.000 1.100 ( -0.000 0.000 0.000) 0.000 1.880 ( -0.000 0.000 0.000) 0.000 1.953 ( 0.000 -0.000 0.000) 0.000 2.101 ( 0.000 -0.000 0.000) 0.000 2.117 ( 0.000 -0.000 0.000) 0.000 2.435 ( -0.000 0.000 0.000) 0.000 2.485 ( 0.000 -0.000 0.000) 0.000 2.631 ( -0.000 0.000 0.000) 0.000 2.746 ( -0.000 0.000 0.000) 0.000 3.026 ( -0.000 0.000 0.000) 0.000 3.408 ( -0.000 0.000 0.000) 0.000 3.614 ( -0.000 0.000 0.000) 0.000 3.622 ( -0.000 0.000 0.000) 0.000 3.690 ( 0.000 -0.000 -0.000) 0.000 4.239 ( -0.000 0.000 0.000) 0.000 4.275 ( -0.000 0.000 0.000) 0.000 4.495 ( -0.000 0.000 0.000) 0.000 4.575 ( -0.000 0.000 0.000) 0.000 5.044 ( -0.000 0.000 0.000) 0.000 5.121 ( -0.000 0.000 0.000) 0.000 5.514 ( -0.000 0.000 0.000) 0.000 5.554 ( -0.000 0.000 -0.000) 0.000 5.564 ( 0.000 -0.000 0.000) 0.000 6.065 ( -0.000 0.000 0.000) 0.000 7.066 ( -0.000 0.000 0.000) 0.000 7.193 ( -0.000 0.000 0.000) 0.000 7.512 ( -0.000 0.000 0.000) 0.000 7.630 ( 0.000 -0.000 0.000) 0.000 7.630 ( -0.000 0.000 -0.000) 0.000 7.794 ( 0.000 -0.000 0.000) 0.000 8.358 ( -0.000 0.000 0.000) 0.000 8.482 ( -0.000 0.000 0.000) 0.000 9.181 ( 0.000 -0.000 0.000) 0.000 9.247 ( -0.000 0.000 0.000) 0.000 10.049 ( -0.000 0.000 0.000) 0.000 10.614 ( -0.000 0.000 0.000) 0.000 12.139 ( -0.000 0.000 0.000) 0.000 12.278 ( -0.000 0.000 0.000) 0.000 12.301 ( -0.000 0.000 0.000) 0.000 12.453 ( -0.000 0.000 0.000) 0.000 16.002 ( -0.000 0.000 0.000) 0.000 16.162 ( -0.000 0.000 0.000) 0.000 16.208 ( -0.000 0.000 0.000) 0.000 16.404 ( -0.000 0.000 0.000) 0.000 18.182 ( -0.000 0.000 0.000) 0.000 18.350 ( -0.000 0.000 0.000) 0.000======================= Grid point 263 (131/150) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.702 ( 5.755 -2.287 -0.130) 6.194 1.032 ( 1.026 -34.277 -2.056) 34.354 1.077 ( 0.811 -0.026 1.554) 1.753 1.867 ( -0.902 1.534 0.067) 1.781 1.909 ( -0.377 3.672 -1.671) 4.052 2.106 ( -3.023 -1.108 0.246) 3.229 2.149 ( 1.054 -3.508 -0.762) 3.741 2.403 ( -2.667 0.682 0.983) 2.923 2.519 ( 3.402 -0.607 2.603) 4.327 2.666 ( -0.424 7.160 0.394) 7.184 2.724 ( 1.246 -7.022 -0.878) 7.186 3.086 ( 0.588 -4.981 -5.409) 7.377 3.377 ( -0.358 3.589 2.818) 4.577 3.428 ( 1.131 10.028 2.543) 10.407 3.644 ( -0.393 3.722 -1.268) 3.952 3.772 ( -0.177 -5.709 -0.332) 5.721 4.237 ( -0.758 -1.075 -0.260) 1.341 4.279 ( -0.702 0.981 -0.263) 1.235 4.469 ( -0.533 0.975 0.115) 1.118 4.642 ( 0.013 -7.044 -0.081) 7.045 5.003 ( 0.605 2.089 0.552) 2.243 5.204 ( -0.246 -6.105 -0.064) 6.110 5.404 ( 0.051 8.272 0.239) 8.276 5.536 ( -0.120 1.755 -0.146) 1.766 5.633 ( -0.131 -2.335 0.163) 2.344 6.163 ( -0.155 -10.055 0.029) 10.056 7.056 ( 0.143 0.942 -0.030) 0.953 7.364 ( -0.026 -11.940 0.325) 11.944 7.512 ( 0.281 0.589 0.251) 0.700 7.602 ( -1.930 0.663 -0.236) 2.054 7.631 ( 1.993 1.716 0.464) 2.671 7.932 ( -0.337 -18.317 0.146) 18.320 8.277 ( -0.129 8.005 -0.116) 8.007 8.511 ( -0.071 -3.206 0.011) 3.207 9.197 ( 0.039 -1.640 -0.015) 1.641 9.253 ( 0.658 -0.155 0.042) 0.677 10.190 ( -0.250 -15.132 0.065) 15.134 10.589 ( -0.470 2.406 -0.928) 2.621 12.126 ( 0.507 1.548 0.034) 1.629 12.266 ( -0.181 1.223 0.130) 1.243 12.299 ( -0.266 0.084 -0.038) 0.282 12.423 ( -0.277 2.992 0.192) 3.011 15.995 ( -0.022 0.608 -0.064) 0.612 16.177 ( -0.725 2.337 0.078) 2.448 16.201 ( 0.280 -3.839 0.192) 3.854 16.429 ( -0.507 -2.223 -0.046) 2.280 18.183 ( 0.444 0.012 -0.749) 0.871 18.335 ( 0.671 1.879 -0.697) 2.113======================= Grid point 264 (132/150) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( 3.484 -5.543 -0.355) 6.556 1.072 ( 4.933 -1.441 0.601) 5.174 1.661 ( 1.860 -27.270 -0.091) 27.334 1.802 ( -2.003 3.857 -0.743) 4.409 1.847 ( -0.309 2.732 -1.322) 3.051 2.125 ( -5.663 -5.185 -0.376) 7.687 2.225 ( 0.206 -4.806 -1.360) 4.999 2.393 ( 0.255 0.352 2.830) 2.863 2.464 ( -1.646 8.453 -0.621) 8.634 2.590 ( 3.294 -0.299 5.343) 6.284 2.834 ( -1.148 -4.171 -4.141) 5.989 3.103 ( -0.033 4.641 -7.362) 8.703 3.313 ( 0.504 -0.494 7.034) 7.069 3.344 ( 3.807 3.608 0.780) 5.303 3.589 ( 0.140 2.224 0.613) 2.311 3.807 ( -0.920 0.170 -2.966) 3.110 4.164 ( -3.263 9.580 -0.600) 10.139 4.287 ( -0.060 -4.608 0.292) 4.618 4.521 ( 1.038 -5.792 1.552) 6.085 4.796 ( -0.243 -9.371 -0.288) 9.379 4.994 ( 1.170 -0.045 1.069) 1.586 5.236 ( -0.239 10.082 -0.097) 10.086 5.294 ( -0.947 -3.941 -0.337) 4.067 5.497 ( 0.033 2.337 -0.452) 2.381 5.635 ( -0.395 1.093 0.152) 1.173 6.360 ( 0.231 -10.893 0.056) 10.896 7.044 ( 0.228 0.410 0.023) 0.470 7.432 ( -0.887 2.824 -0.232) 2.969 7.489 ( 1.363 2.430 1.151) 3.015 7.594 ( 0.179 -0.091 0.029) 0.203 7.617 ( 0.375 0.283 0.430) 0.636 8.091 ( -0.491 8.851 -0.306) 8.870 8.413 ( -1.342 -27.826 1.107) 27.880 8.587 ( 0.026 -5.025 0.101) 5.026 9.236 ( 0.366 -2.292 -0.338) 2.345 9.253 ( 1.222 1.108 0.711) 1.796 10.523 ( -1.894 -5.720 2.303) 6.450 10.540 ( -0.420 -13.157 -3.152) 13.536 12.096 ( 1.030 2.371 0.060) 2.586 12.231 ( -0.468 2.497 0.148) 2.545 12.296 ( -0.316 0.094 -0.011) 0.330 12.361 ( -0.203 3.183 0.085) 3.191 15.985 ( 0.018 0.430 -0.101) 0.442 16.133 ( -0.793 1.759 0.117) 1.933 16.285 ( 0.378 -4.854 0.133) 4.871 16.453 ( -0.994 -0.832 0.148) 1.304 18.185 ( 0.612 0.094 -0.912) 1.103 18.295 ( 0.608 2.758 -0.874) 2.956======================= Grid point 265 (133/150) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( -0.595 -3.943 -0.092) 3.989 1.218 ( 8.375 -8.360 1.076) 11.882 1.662 ( -3.939 7.910 -1.231) 8.922 1.786 ( -0.848 2.960 -0.333) 3.097 1.967 ( 1.522 -6.418 -1.747) 6.824 2.175 ( -3.295 -3.042 0.192) 4.489 2.230 ( -0.613 8.424 2.142) 8.713 2.399 ( -0.591 -5.182 -1.899) 5.551 2.450 ( -0.260 -4.291 2.574) 5.010 2.663 ( 0.430 -5.016 3.361) 6.053 2.878 ( -1.652 -6.258 -6.810) 9.395 3.000 ( 0.006 3.886 -1.037) 4.022 3.315 ( 5.418 3.711 7.997) 10.348 3.384 ( 3.005 -3.301 -5.762) 7.289 3.525 ( -3.168 5.192 2.671) 6.643 3.804 ( 2.951 0.198 -1.728) 3.426 3.952 ( -5.904 8.392 -1.466) 10.365 4.374 ( 0.207 -4.262 0.131) 4.269 4.646 ( 1.211 -6.154 2.734) 6.842 4.932 ( -0.523 -5.276 -0.361) 5.314 5.007 ( 0.551 1.132 0.245) 1.283 5.067 ( 0.382 6.249 0.041) 6.261 5.332 ( -1.222 -1.425 -0.756) 2.024 5.457 ( 0.162 2.063 -0.444) 2.117 5.610 ( -0.376 1.070 0.051) 1.135 6.531 ( 0.546 -7.421 0.050) 7.442 7.042 ( 0.054 0.090 0.074) 0.129 7.337 ( -0.802 5.535 -0.126) 5.595 7.451 ( 1.180 2.524 0.703) 2.873 7.597 ( 0.161 -0.127 0.704) 0.734 7.623 ( 0.439 -0.240 -0.313) 0.590 7.955 ( -0.203 5.359 -0.152) 5.365 8.672 ( 0.051 -3.951 0.116) 3.953 8.820 ( -2.008 -18.250 0.695) 18.373 9.211 ( 1.707 4.543 -0.094) 4.854 9.283 ( 0.464 -1.936 0.634) 2.090 10.468 ( -0.743 2.354 -0.775) 2.587 10.880 ( -1.843 -15.908 0.354) 16.018 12.063 ( 1.065 2.028 0.077) 2.292 12.178 ( -0.517 2.567 0.015) 2.619 12.292 ( -0.170 0.060 0.017) 0.181 12.319 ( -0.023 1.424 0.002) 1.424 15.980 ( 0.047 0.160 -0.092) 0.191 16.106 ( -0.505 0.804 0.083) 0.953 16.363 ( 0.351 -3.266 -0.379) 3.307 16.449 ( -0.866 0.294 0.633) 1.113 18.186 ( 0.381 0.122 -0.583) 0.707 18.253 ( 0.260 1.987 -0.536) 2.075======================= Grid point 266 (134/150) =======================q-point: (-0.50 0.00 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 0.000 -0.000 -0.000) 0.000 1.417 ( 0.000 -0.000 -0.000) 0.000 1.485 ( -0.000 0.000 -0.000) 0.000 1.748 ( -0.000 -0.000 -0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.118 ( -0.000 -0.000 -0.000) 0.000 2.200 ( 0.000 0.000 -0.000) 0.000 2.421 ( 0.000 -0.000 -0.000) 0.000 2.493 ( 0.000 -0.000 -0.000) 0.000 2.698 ( 0.000 -0.000 -0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.059 ( -0.000 -0.000 -0.000) 0.000 3.276 ( 0.000 0.000 -0.000) 0.000 3.400 ( 0.000 0.000 -0.000) 0.000 3.460 ( 0.000 -0.000 -0.000) 0.000 3.789 ( 0.000 -0.000 -0.000) 0.000 3.870 ( 0.000 -0.000 -0.000) 0.000 4.417 ( 0.000 -0.000 -0.000) 0.000 4.721 ( 0.000 -0.000 -0.000) 0.000 4.944 ( 0.000 0.000 -0.000) 0.000 4.972 ( 0.000 -0.000 -0.000) 0.000 5.062 ( 0.000 -0.000 -0.000) 0.000 5.337 ( 0.000 -0.000 -0.000) 0.000 5.436 ( 0.000 -0.000 -0.000) 0.000 5.599 ( -0.000 -0.000 -0.000) 0.000 6.605 ( 0.000 -0.000 -0.000) 0.000 7.041 ( 0.000 -0.000 -0.000) 0.000 7.275 ( 0.000 -0.000 -0.000) 0.000 7.431 ( 0.000 -0.000 -0.000) 0.000 7.600 ( 0.000 0.000 -0.000) 0.000 7.627 ( 0.000 -0.000 0.000) 0.000 7.906 ( 0.000 -0.000 -0.000) 0.000 8.710 ( 0.000 -0.000 -0.000) 0.000 9.011 ( 0.000 0.000 -0.000) 0.000 9.140 ( 0.000 -0.000 -0.000) 0.000 9.304 ( 0.000 -0.000 -0.000) 0.000 10.443 ( 0.000 -0.000 -0.000) 0.000 11.022 ( 0.000 -0.000 -0.000) 0.000 12.047 ( 0.000 -0.000 -0.000) 0.000 12.151 ( 0.000 -0.000 -0.000) 0.000 12.291 ( 0.000 -0.000 -0.000) 0.000 12.307 ( 0.000 -0.000 -0.000) 0.000 15.979 ( 0.000 -0.000 -0.000) 0.000 16.097 ( 0.000 -0.000 -0.000) 0.000 16.395 ( 0.000 -0.000 0.000) 0.000 16.441 ( 0.000 -0.000 -0.000) 0.000 18.186 ( 0.000 -0.000 -0.000) 0.000 18.235 ( 0.000 -0.000 -0.000) 0.000======================= Grid point 272 (135/150) =======================q-point: ( 0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 2.559 -0.000 -0.665) 2.644 0.763 ( 11.484 -0.000 -1.498) 11.581 1.096 ( 0.269 -0.000 -0.129) 0.299 1.875 ( -0.747 0.000 1.009) 1.255 1.937 ( -1.861 0.000 -5.169) 5.494 2.062 ( -4.356 0.000 1.453) 4.592 2.133 ( 1.410 -0.000 -1.749) 2.246 2.377 ( -3.811 0.000 2.682) 4.660 2.569 ( 6.234 -0.000 4.934) 7.950 2.645 ( 1.812 -0.000 -0.826) 1.992 2.748 ( 0.214 -0.000 0.274) 0.348 3.022 ( 0.839 -0.000 -9.243) 9.281 3.413 ( 0.200 -0.000 4.227) 4.232 3.613 ( -0.192 0.000 0.211) 0.285 3.640 ( 1.021 -0.000 7.262) 7.333 3.673 ( -1.256 0.000 -5.745) 5.880 4.217 ( -2.776 0.000 -1.597) 3.203 4.273 ( -0.253 0.000 -0.336) 0.421 4.482 ( -1.338 0.000 0.030) 1.339 4.576 ( 0.178 -0.000 0.240) 0.299 5.049 ( 0.655 -0.000 0.353) 0.744 5.123 ( 0.185 -0.000 0.682) 0.707 5.514 ( 0.022 -0.000 -0.043) 0.049 5.549 ( -0.350 0.000 -1.063) 1.119 5.567 ( 0.160 -0.000 1.320) 1.330 6.061 ( -0.479 0.000 0.193) 0.516 7.067 ( 0.093 -0.000 -0.184) 0.206 7.195 ( 0.274 -0.000 -0.026) 0.276 7.512 ( -0.064 0.000 -0.068) 0.093 7.592 ( -2.420 0.000 0.064) 2.421 7.671 ( 2.769 -0.000 0.467) 2.808 7.796 ( 0.255 -0.000 0.222) 0.338 8.354 ( -0.460 0.000 -0.407) 0.614 8.480 ( -0.233 0.000 -0.024) 0.235 9.181 ( -0.072 0.000 -0.119) 0.139 9.257 ( 1.296 -0.000 0.017) 1.296 10.051 ( 0.179 -0.000 -0.066) 0.190 10.605 ( -0.963 0.000 -1.846) 2.082 12.146 ( 0.905 -0.000 0.062) 0.907 12.276 ( -0.337 0.000 0.253) 0.422 12.297 ( -0.463 0.000 -0.084) 0.471 12.448 ( -0.732 0.000 0.509) 0.892 16.002 ( -0.070 0.000 -0.127) 0.145 16.167 ( 0.595 -0.000 0.186) 0.623 16.195 ( -1.770 0.000 0.355) 1.805 16.399 ( -0.643 0.000 -0.205) 0.675 18.188 ( 1.242 -0.000 -1.286) 1.787 18.359 ( 1.232 -0.000 -1.631) 2.044======================= Grid point 273 (136/150) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( 6.648 -0.915 -0.758) 6.753 1.036 ( 0.456 -21.860 -3.875) 22.206 1.138 ( 7.684 -12.500 3.243) 15.027 1.849 ( -1.456 2.484 -0.155) 2.884 1.878 ( -3.396 2.653 -4.102) 5.949 2.053 ( -3.800 -1.337 -0.002) 4.029 2.159 ( 0.685 -2.413 -1.151) 2.760 2.374 ( -1.413 -1.441 3.247) 3.823 2.579 ( 3.150 3.824 5.291) 7.249 2.665 ( 0.153 4.132 1.562) 4.420 2.741 ( 1.154 -4.052 -2.404) 4.850 3.083 ( 1.804 -4.876 -13.108) 14.101 3.385 ( 0.041 4.482 7.343) 8.602 3.457 ( 1.240 7.793 5.698) 9.733 3.632 ( -0.403 2.186 -3.798) 4.400 3.762 ( -1.213 -3.958 -0.984) 4.255 4.214 ( -2.181 -2.687 -0.750) 3.541 4.260 ( -1.597 2.654 -0.490) 3.136 4.466 ( 0.215 -0.682 1.143) 1.348 4.642 ( 0.025 -6.772 -0.229) 6.776 5.019 ( 1.317 1.785 1.253) 2.548 5.197 ( -0.571 -5.439 -0.209) 5.473 5.406 ( 0.082 8.406 0.555) 8.424 5.533 ( -0.220 1.606 -0.413) 1.673 5.630 ( -0.353 -2.087 0.351) 2.146 6.160 ( -0.242 -10.417 0.108) 10.421 7.058 ( 0.039 0.819 -0.177) 0.838 7.364 ( -0.190 -11.578 0.642) 11.597 7.520 ( 0.618 -0.107 0.574) 0.850 7.576 ( -1.559 -0.672 0.089) 1.700 7.660 ( 1.792 2.894 0.589) 3.455 7.924 ( -0.909 -16.752 0.282) 16.779 8.274 ( -0.123 7.481 -0.186) 7.484 8.509 ( -0.183 -3.345 0.023) 3.350 9.198 ( 0.109 -1.863 -0.018) 1.866 9.270 ( 1.742 -0.133 0.105) 1.751 10.184 ( -0.544 -14.307 0.118) 14.318 10.573 ( -1.333 2.312 -2.207) 3.463 12.140 ( 1.307 1.476 0.070) 1.973 12.262 ( -0.541 1.276 0.281) 1.414 12.294 ( -0.413 0.023 -0.039) 0.415 12.415 ( -0.855 2.782 0.429) 2.942 15.994 ( -0.022 0.565 -0.159) 0.587 16.159 ( -1.732 1.866 0.211) 2.555 16.209 ( 0.726 -3.743 0.415) 3.836 16.416 ( -1.254 -1.994 -0.184) 2.363 18.196 ( 1.766 0.283 -1.166) 2.135 18.346 ( 0.945 2.115 -2.045) 3.091======================= Grid point 274 (137/150) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( 0.562 -1.815 -0.969) 2.133 1.187 ( 10.226 -4.225 1.340) 11.146 1.679 ( -0.411 -20.699 0.070) 20.703 1.779 ( -1.654 1.261 1.238) 2.421 1.821 ( -1.217 -2.037 -4.918) 5.460 2.050 ( -4.044 -2.315 -0.363) 4.674 2.212 ( -1.266 -3.442 -1.671) 4.030 2.404 ( 0.035 -1.898 3.607) 4.076 2.457 ( 0.658 9.238 1.758) 9.427 2.640 ( 1.873 0.051 6.095) 6.376 2.797 ( -2.432 -2.372 -6.322) 7.176 3.092 ( 0.848 4.709 -8.269) 9.554 3.341 ( 1.737 -1.419 2.831) 3.612 3.407 ( 3.500 2.143 5.948) 7.226 3.593 ( 0.221 2.943 1.189) 3.182 3.776 ( -2.136 -1.599 -5.478) 6.094 4.109 ( -3.744 10.904 -0.289) 11.532 4.287 ( -0.105 -5.308 0.418) 5.326 4.547 ( 1.881 -6.136 2.569) 6.913 4.791 ( -0.370 -9.145 -0.531) 9.168 5.018 ( 1.612 -0.017 1.577) 2.255 5.230 ( -0.450 10.020 -0.255) 10.034 5.276 ( -1.294 -3.228 -0.542) 3.520 5.498 ( 0.149 2.169 -0.615) 2.259 5.628 ( -0.605 1.103 0.199) 1.274 6.366 ( 0.536 -11.258 0.130) 11.271 7.047 ( 0.040 0.369 -0.049) 0.375 7.416 ( -1.190 3.113 -0.309) 3.347 7.517 ( 1.966 2.192 1.384) 3.253 7.597 ( 0.129 -0.644 0.379) 0.759 7.624 ( 0.433 0.754 0.391) 0.953 8.081 ( -0.836 7.720 -0.512) 7.782 8.391 ( -1.917 -26.396 1.662) 26.518 8.588 ( 0.001 -5.162 0.152) 5.164 9.242 ( 0.574 -2.570 -0.076) 2.635 9.277 ( 1.850 1.156 0.609) 2.264 10.498 ( -2.011 -9.845 1.405) 10.146 10.520 ( -1.396 -8.606 -2.679) 9.120 12.115 ( 1.527 2.393 0.085) 2.840 12.223 ( -0.699 2.558 0.180) 2.658 12.291 ( -0.215 -0.003 0.013) 0.216 12.356 ( -0.481 2.815 0.106) 2.857 15.985 ( 0.037 0.399 -0.157) 0.430 16.119 ( -1.116 1.295 0.153) 1.716 16.293 ( 0.693 -4.645 0.220) 4.701 16.434 ( -1.534 -1.076 0.125) 1.878 18.199 ( 1.477 0.651 -0.721) 1.768 18.300 ( 0.259 2.956 -1.628) 3.384======================= Grid point 275 (138/150) =======================q-point: ( 0.50 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( -0.337 -4.097 -0.088) 4.112 1.353 ( 9.515 -5.639 1.758) 11.199 1.610 ( -2.552 8.538 -0.627) 8.933 1.754 ( -3.449 1.019 -1.787) 4.016 1.971 ( -0.437 -2.946 -1.019) 3.148 2.130 ( -2.245 -3.134 -0.861) 3.950 2.243 ( 0.990 0.481 3.248) 3.429 2.376 ( -1.833 -2.256 -2.892) 4.100 2.450 ( -0.405 -2.827 3.031) 4.164 2.679 ( 0.651 -2.152 3.508) 4.167 2.844 ( -1.149 -8.352 -5.439) 10.033 3.002 ( 0.735 3.524 -1.917) 4.078 3.394 ( 2.769 -0.543 0.823) 2.940 3.436 ( 4.887 -1.688 0.013) 5.171 3.488 ( -1.430 9.202 4.622) 10.396 3.819 ( -3.338 -2.661 -5.704) 7.125 3.871 ( -1.739 9.044 1.124) 9.277 4.378 ( 0.173 -4.169 0.204) 4.178 4.672 ( 1.392 -5.384 3.042) 6.339 4.923 ( -0.607 -5.338 -0.515) 5.397 5.018 ( 0.757 4.756 0.516) 4.844 5.070 ( -0.007 3.177 -0.394) 3.201 5.313 ( -1.029 -1.953 -0.655) 2.303 5.459 ( 0.224 2.076 -0.420) 2.130 5.604 ( -0.376 0.820 0.050) 0.903 6.540 ( 0.680 -7.190 0.091) 7.222 7.044 ( 0.107 0.130 0.073) 0.183 7.324 ( -0.858 4.989 -0.241) 5.068 7.468 ( 0.974 3.498 0.639) 3.687 7.600 ( 0.027 0.001 0.726) 0.727 7.630 ( 0.548 -0.052 -0.302) 0.628 7.952 ( -0.175 5.137 -0.144) 5.142 8.673 ( 0.054 -3.958 0.101) 3.960 8.790 ( -2.266 -18.418 0.778) 18.573 9.238 ( 1.904 4.551 -0.207) 4.938 9.291 ( 0.378 -1.624 0.722) 1.817 10.455 ( -0.865 1.684 -0.809) 2.059 10.852 ( -1.913 -16.758 0.350) 16.871 12.079 ( 1.143 2.602 0.081) 2.844 12.171 ( -0.406 2.276 -0.004) 2.312 12.291 ( -0.070 -0.026 0.015) 0.076 12.318 ( -0.136 1.270 0.009) 1.277 15.981 ( 0.019 0.168 -0.101) 0.196 16.099 ( -0.455 0.389 0.083) 0.605 16.369 ( 0.515 -2.980 -0.486) 3.064 16.436 ( -1.044 -0.341 0.723) 1.315 18.194 ( 0.808 0.650 -0.247) 1.066 18.253 ( -0.163 1.984 -0.820) 2.153======================= Grid point 276 (139/150) =======================q-point: (-0.38 0.12 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( 0.199 -0.294 0.047) 0.358 1.375 ( -2.961 11.958 -0.144) 12.320 1.548 ( 5.238 -6.765 1.090) 8.625 1.740 ( -0.961 -1.944 -0.621) 2.255 2.038 ( -0.301 -2.913 0.088) 2.930 2.083 ( -3.167 0.059 -0.433) 3.197 2.231 ( 2.606 2.360 0.172) 3.520 2.414 ( -0.997 -2.502 -0.947) 2.855 2.479 ( -0.935 -0.478 -0.010) 1.051 2.718 ( 1.632 -0.882 1.996) 2.725 2.952 ( 1.487 -0.495 0.563) 1.665 3.050 ( -0.836 -4.578 -3.129) 5.608 3.251 ( -2.361 11.999 0.033) 12.229 3.416 ( 0.893 0.727 0.593) 1.296 3.482 ( 2.750 -1.178 2.682) 4.018 3.731 ( -5.095 -2.169 -2.661) 6.144 3.910 ( 3.055 -2.685 0.616) 4.114 4.417 ( -0.019 0.197 0.075) 0.212 4.722 ( 0.117 1.920 0.107) 1.927 4.946 ( 0.226 -0.968 0.615) 1.169 4.969 ( -0.321 -0.771 -0.305) 0.890 5.059 ( -0.235 1.568 -0.498) 1.662 5.339 ( 0.208 -1.269 0.191) 1.300 5.437 ( 0.089 0.182 0.019) 0.203 5.599 ( 0.012 -0.318 -0.007) 0.318 6.606 ( 0.004 0.655 0.013) 0.655 7.043 ( 0.246 0.088 0.036) 0.264 7.274 ( -0.152 -0.765 -0.113) 0.789 7.430 ( -0.140 0.917 -0.004) 0.928 7.599 ( -0.114 0.160 0.041) 0.200 7.627 ( 0.100 0.448 -0.036) 0.460 7.906 ( 0.019 -0.149 0.017) 0.151 8.710 ( -0.003 0.075 -0.002) 0.075 9.003 ( -0.786 -4.390 0.083) 4.461 9.146 ( 0.718 4.178 -0.053) 4.240 9.304 ( -0.053 0.484 -0.021) 0.487 10.442 ( -0.061 -0.770 0.004) 0.772 11.021 ( -0.131 -1.798 -0.001) 1.802 12.048 ( 0.097 1.087 -0.012) 1.092 12.152 ( 0.116 -0.407 0.000) 0.423 12.291 ( 0.033 -0.100 -0.005) 0.105 12.307 ( -0.042 -0.020 0.007) 0.047 15.979 ( -0.032 0.020 -0.001) 0.037 16.098 ( 0.049 -0.358 -0.002) 0.361 16.395 ( 0.001 0.315 -0.010) 0.315 16.441 ( -0.021 -0.725 0.007) 0.725 18.188 ( 0.264 0.382 0.183) 0.499 18.233 ( -0.262 -0.055 -0.170) 0.317======================= Grid point 277 (140/150) =======================q-point: (-0.25 0.12 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( 0.361 4.213 0.045) 4.229 1.128 ( -3.405 10.370 -0.351) 10.921 1.714 ( 2.389 -7.316 1.057) 7.768 1.786 ( -0.488 -3.089 -0.509) 3.168 1.947 ( -1.116 8.051 0.676) 8.156 2.198 ( 0.505 -4.156 -1.071) 4.321 2.258 ( 2.047 -7.480 0.471) 7.770 2.401 ( -0.366 6.997 0.536) 7.027 2.447 ( 0.033 2.905 -1.149) 3.124 2.654 ( -0.124 10.053 -1.332) 10.141 2.908 ( 0.742 5.386 3.554) 6.496 3.006 ( 0.528 -4.663 0.165) 4.696 3.241 ( -2.604 -4.817 -3.565) 6.534 3.362 ( -1.147 3.859 2.107) 4.544 3.555 ( 1.318 -2.584 -0.985) 3.063 3.772 ( -1.424 -3.702 0.555) 4.005 4.015 ( 2.325 -7.828 0.622) 8.190 4.372 ( -0.101 4.348 -0.022) 4.349 4.630 ( -0.454 6.678 -1.061) 6.777 4.938 ( 0.190 5.037 0.120) 5.042 5.002 ( -0.174 1.803 -0.039) 1.812 5.062 ( -0.255 -8.720 -0.122) 8.725 5.347 ( 0.549 1.139 0.335) 1.308 5.456 ( -0.042 -2.039 0.194) 2.049 5.614 ( 0.154 -1.229 -0.023) 1.239 6.525 ( -0.191 7.506 -0.010) 7.508 7.042 ( -0.007 0.144 -0.030) 0.147 7.346 ( 0.365 -6.092 0.018) 6.103 7.436 ( -0.593 -1.800 -0.307) 1.920 7.594 ( -0.124 0.238 -0.271) 0.381 7.619 ( -0.137 0.386 0.116) 0.426 7.957 ( 0.092 -5.502 0.065) 5.504 8.671 ( -0.026 3.952 -0.050) 3.953 8.840 ( 0.759 18.073 -0.263) 18.091 9.194 ( -0.661 -4.499 0.014) 4.547 9.277 ( -0.201 2.131 -0.248) 2.154 10.477 ( 0.273 -2.796 0.314) 2.826 10.899 ( 0.743 15.224 -0.150) 15.243 12.051 ( -0.417 -1.588 -0.031) 1.643 12.184 ( 0.245 -2.720 -0.011) 2.731 12.295 ( 0.105 -0.176 -0.007) 0.205 12.319 ( -0.027 -1.486 0.001) 1.486 15.980 ( -0.026 -0.170 0.036) 0.176 16.112 ( 0.222 -1.079 -0.034) 1.103 16.360 ( -0.119 3.409 0.139) 3.414 16.457 ( 0.328 -0.698 -0.250) 0.810 18.185 ( -0.034 0.172 0.337) 0.380 18.250 ( -0.230 -1.918 0.142) 1.937======================= Grid point 278 (141/150) =======================q-point: (-0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.783 ( -0.000 8.643 0.000) 8.643 1.039 ( -0.000 -0.541 0.000) 0.541 1.646 ( -0.000 27.982 0.000) 27.982 1.825 ( -0.000 -4.007 0.000) 4.007 1.842 ( 0.000 -3.373 0.000) 3.373 2.182 ( 0.000 8.732 0.000) 8.732 2.213 ( -0.000 2.279 0.000) 2.279 2.389 ( -0.000 -0.792 0.000) 0.792 2.489 ( 0.000 -10.745 0.000) 10.745 2.547 ( -0.000 2.819 0.000) 2.819 2.846 ( -0.000 5.170 0.000) 5.170 3.113 ( -0.000 -4.450 -0.000) 4.450 3.306 ( -0.000 0.007 0.000) 0.007 3.308 ( 0.000 -4.206 -0.000) 4.206 3.587 ( -0.000 -2.162 0.000) 2.162 3.816 ( -0.000 -0.735 0.000) 0.735 4.190 ( -0.000 -9.045 0.000) 9.045 4.287 ( 0.000 4.310 0.000) 4.310 4.512 ( -0.000 5.483 0.000) 5.483 4.798 ( -0.000 9.463 0.000) 9.463 4.984 ( -0.000 0.120 0.000) 0.120 5.238 ( -0.000 -10.135 0.000) 10.135 5.301 ( -0.000 4.236 0.000) 4.236 5.498 ( -0.000 -2.416 0.000) 2.416 5.638 ( 0.000 -1.081 0.000) 1.081 6.359 ( -0.000 10.739 0.000) 10.739 7.042 ( -0.000 -0.370 0.000) 0.370 7.440 ( 0.000 -2.485 0.000) 2.485 7.477 ( -0.000 -2.733 0.000) 2.733 7.592 ( 0.000 -0.433 0.000) 0.433 7.613 ( 0.000 0.175 0.000) 0.175 8.095 ( 0.000 -9.201 0.000) 9.201 8.422 ( -0.000 28.278 0.000) 28.278 8.587 ( -0.000 4.964 0.000) 4.964 9.234 ( -0.000 2.434 0.000) 2.434 9.243 ( -0.000 -1.363 0.000) 1.363 10.536 ( -0.000 -3.453 0.000) 3.453 10.545 ( 0.000 22.507 -0.000) 22.507 12.088 ( -0.000 -2.370 0.000) 2.370 12.234 ( -0.000 -2.437 0.000) 2.437 12.298 ( -0.000 -0.161 0.000) 0.161 12.362 ( -0.000 -3.323 0.000) 3.323 15.985 ( -0.000 -0.451 0.000) 0.451 16.139 ( -0.000 -1.942 0.000) 1.942 16.282 ( -0.000 4.940 0.000) 4.940 16.460 ( -0.000 0.722 0.000) 0.722 18.183 ( -0.000 0.063 0.000) 0.063 18.291 ( -0.000 -2.610 0.000) 2.610======================= Grid point 282 (142/150) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( 3.092 -0.000 -1.199) 3.316 0.878 ( 2.458 -0.000 -3.750) 4.484 1.165 ( 10.693 -0.000 2.299) 10.937 1.867 ( -0.598 0.000 1.568) 1.678 1.872 ( -5.296 0.000 -7.957) 9.558 1.998 ( -4.621 0.000 1.524) 4.866 2.147 ( 1.037 -0.000 -1.830) 2.103 2.357 ( -0.240 0.000 3.666) 3.674 2.656 ( 3.869 -0.000 7.913) 8.808 2.670 ( 1.732 -0.000 -1.205) 2.110 2.752 ( 0.245 -0.000 0.329) 0.411 3.017 ( 1.906 -0.000 -14.411) 14.537 3.429 ( 0.411 -0.000 7.028) 7.040 3.610 ( -0.257 0.000 0.304) 0.398 3.621 ( -3.879 0.000 1.203) 4.061 3.683 ( 2.248 -0.000 -0.710) 2.358 4.161 ( -3.979 0.000 -2.037) 4.470 4.267 ( -0.439 0.000 -0.490) 0.658 4.471 ( -0.124 0.000 1.000) 1.008 4.580 ( 0.281 -0.000 0.341) 0.442 5.063 ( 1.050 -0.000 0.542) 1.181 5.127 ( 0.025 -0.000 0.727) 0.727 5.515 ( 0.007 -0.000 -0.070) 0.070 5.542 ( -0.233 0.000 -0.972) 0.999 5.571 ( 0.039 -0.000 1.107) 1.107 6.054 ( -0.480 0.000 0.400) 0.625 7.065 ( -0.415 0.000 -0.458) 0.618 7.199 ( 0.359 -0.000 -0.051) 0.362 7.511 ( -0.052 0.000 -0.068) 0.085 7.563 ( -1.703 0.000 0.265) 1.724 7.708 ( 2.157 -0.000 0.526) 2.220 7.801 ( 0.325 -0.000 0.291) 0.437 8.346 ( -0.365 0.000 -0.478) 0.601 8.476 ( -0.334 0.000 -0.037) 0.336 9.179 ( -0.093 0.000 -0.165) 0.190 9.282 ( 2.101 -0.000 0.075) 2.102 10.054 ( 0.252 -0.000 -0.093) 0.269 10.581 ( -1.668 0.000 -2.587) 3.078 12.163 ( 1.456 -0.000 0.059) 1.457 12.269 ( -0.682 0.000 0.276) 0.736 12.291 ( -0.261 0.000 -0.002) 0.261 12.434 ( -1.360 0.000 0.661) 1.512 16.000 ( -0.025 0.000 -0.175) 0.177 16.164 ( -2.435 0.000 0.347) 2.460 16.178 ( 0.943 -0.000 0.296) 0.988 16.386 ( -1.011 0.000 -0.322) 1.061 18.215 ( 2.815 -0.000 -0.707) 2.903 18.370 ( 0.689 -0.000 -2.927) 3.007======================= Grid point 283 (143/150) =======================q-point: ( 0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( -0.607 0.646 -1.824) 2.028 1.044 ( 1.401 -27.111 -2.490) 27.262 1.295 ( 11.969 -7.212 3.801) 14.482 1.792 ( -5.534 1.521 -5.947) 8.265 1.842 ( -0.732 3.324 1.276) 3.635 2.002 ( -3.138 -2.458 -0.818) 4.069 2.164 ( 0.203 -1.419 -0.861) 1.673 2.374 ( 0.232 -1.426 3.010) 3.339 2.624 ( 1.822 7.315 5.104) 9.104 2.674 ( 0.360 1.467 2.528) 2.945 2.741 ( -0.319 -1.344 -2.986) 3.290 3.087 ( 2.543 -4.854 -13.251) 14.340 3.405 ( 0.283 5.194 8.740) 10.171 3.475 ( -0.228 4.641 3.806) 6.006 3.625 ( 0.748 0.434 -4.131) 4.221 3.730 ( -2.763 -1.197 -1.157) 3.226 4.183 ( -1.514 -4.637 -0.365) 4.892 4.237 ( -1.482 3.985 -0.307) 4.262 4.482 ( 1.419 -2.157 1.801) 3.148 4.642 ( -0.011 -6.365 -0.312) 6.373 5.041 ( 1.222 1.429 1.221) 2.242 5.188 ( -0.527 -4.640 -0.279) 4.678 5.408 ( 0.017 8.701 0.515) 8.716 5.530 ( -0.097 1.340 -0.490) 1.430 5.625 ( -0.424 -1.729 0.301) 1.805 6.158 ( -0.016 -10.929 0.177) 10.931 7.054 ( -0.498 0.547 -0.348) 0.817 7.361 ( -0.349 -10.891 0.449) 10.906 7.530 ( 0.656 -1.087 0.507) 1.367 7.559 ( -0.955 -1.934 0.369) 2.188 7.683 ( 1.242 3.807 0.526) 4.039 7.909 ( -1.035 -14.348 0.166) 14.387 8.274 ( 0.133 6.751 -0.035) 6.752 8.506 ( -0.205 -3.525 0.018) 3.531 9.199 ( 0.124 -2.196 0.001) 2.199 9.299 ( 1.994 -0.042 0.127) 1.998 10.177 ( -0.467 -13.219 0.070) 13.228 10.545 ( -1.660 2.170 -2.178) 3.494 12.161 ( 1.474 1.425 0.048) 2.051 12.253 ( -0.718 1.288 0.229) 1.492 12.290 ( -0.045 0.007 0.039) 0.059 12.401 ( -1.164 2.420 0.389) 2.714 15.994 ( 0.035 0.532 -0.165) 0.558 16.133 ( -1.731 1.247 0.176) 2.141 16.222 ( 0.878 -3.670 0.441) 3.799 16.396 ( -1.349 -1.647 -0.288) 2.149 18.228 ( 2.726 0.897 -0.102) 2.871 18.348 ( -0.023 2.235 -2.749) 3.543======================= Grid point 284 (144/150) =======================q-point: ( 0.50 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( -0.931 -1.856 -0.919) 2.270 1.345 ( 10.816 -5.213 1.756) 12.134 1.625 ( -6.955 -12.472 -1.101) 14.323 1.744 ( -1.934 5.884 0.151) 6.195 1.837 ( 2.997 -15.080 -2.079) 15.515 2.010 ( -1.654 -0.249 -0.483) 1.741 2.188 ( -1.491 -1.643 -1.117) 2.483 2.406 ( -0.294 -1.527 1.713) 2.314 2.482 ( 1.610 8.590 3.193) 9.305 2.667 ( 0.495 0.019 3.948) 3.979 2.749 ( -2.213 -1.542 -5.116) 5.784 3.093 ( 1.092 4.759 -5.005) 6.992 3.369 ( 1.624 -2.212 -0.317) 2.763 3.451 ( 0.780 1.100 5.483) 5.646 3.605 ( 1.128 3.036 2.080) 3.849 3.731 ( -2.195 -3.048 -5.455) 6.623 4.065 ( -2.180 12.130 0.058) 12.324 4.286 ( -0.030 -5.869 0.316) 5.877 4.578 ( 1.604 -6.133 2.088) 6.674 4.785 ( -0.303 -8.921 -0.509) 8.940 5.042 ( 1.190 -0.238 1.215) 1.717 5.224 ( -0.347 10.532 -0.173) 10.539 5.258 ( -0.959 -2.924 -0.553) 3.126 5.499 ( 0.172 2.046 -0.423) 2.096 5.620 ( -0.467 1.074 0.136) 1.179 6.375 ( 0.558 -11.606 0.134) 11.620 7.045 ( -0.233 0.103 -0.111) 0.278 7.400 ( -0.822 3.243 -0.234) 3.353 7.547 ( 1.760 2.402 0.838) 3.094 7.596 ( -0.332 -0.921 0.450) 1.078 7.630 ( 0.313 0.758 0.192) 0.842 8.068 ( -0.721 6.116 -0.420) 6.173 8.370 ( -1.342 -24.431 1.243) 24.500 8.588 ( -0.039 -5.273 0.109) 5.275 9.250 ( 0.422 -2.889 0.054) 2.920 9.303 ( 1.435 1.314 0.335) 1.974 10.477 ( -0.986 -11.142 0.567) 11.200 10.493 ( -1.541 -6.902 -1.521) 7.233 12.136 ( 1.163 2.458 0.063) 2.720 12.214 ( -0.526 2.495 0.104) 2.552 12.290 ( 0.025 0.012 0.026) 0.038 12.349 ( -0.512 2.374 0.069) 2.430 15.986 ( 0.034 0.400 -0.122) 0.419 16.105 ( -0.783 0.801 0.102) 1.125 16.304 ( 0.700 -4.449 0.195) 4.508 16.413 ( -1.272 -1.273 0.019) 1.800 18.222 ( 1.658 1.473 0.093) 2.220 18.295 ( -0.432 2.902 -1.637) 3.360======================= Grid point 285 (145/150) =======================q-point: ( 0.62 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( -0.125 -4.603 -0.051) 4.605 1.471 ( 5.165 -0.855 1.418) 5.424 1.598 ( 1.353 6.656 0.247) 6.797 1.683 ( -5.186 -2.667 -1.991) 6.162 1.963 ( -0.254 0.082 -0.043) 0.271 2.108 ( -0.756 -1.589 -0.388) 1.802 2.260 ( 0.487 -9.063 1.190) 9.154 2.347 ( -1.116 4.957 -1.514) 5.302 2.453 ( 0.041 -1.939 1.541) 2.477 2.691 ( 0.249 -2.053 1.426) 2.512 2.825 ( -0.326 -10.155 -2.042) 10.364 3.009 ( 0.506 3.794 -0.944) 3.942 3.412 ( 0.736 2.294 -4.249) 4.884 3.440 ( -1.332 -0.676 4.363) 4.612 3.571 ( 7.573 3.893 5.131) 9.942 3.710 ( -7.703 6.390 -5.139) 11.251 3.884 ( 0.899 0.953 0.100) 1.314 4.380 ( 0.060 -4.104 0.101) 4.105 4.692 ( 0.641 -4.828 1.377) 5.061 4.915 ( -0.285 -5.263 -0.285) 5.278 5.028 ( 0.449 8.328 0.386) 8.349 5.067 ( -0.198 0.051 -0.388) 0.439 5.302 ( -0.359 -2.446 -0.237) 2.483 5.461 ( 0.107 2.072 -0.168) 2.082 5.601 ( -0.155 0.624 0.021) 0.643 6.548 ( 0.326 -6.929 0.051) 6.937 7.045 ( 0.059 -0.091 0.028) 0.112 7.314 ( -0.396 4.720 -0.133) 4.739 7.479 ( 0.360 4.233 0.241) 4.255 7.601 ( -0.010 0.082 0.302) 0.313 7.635 ( 0.247 0.064 -0.113) 0.279 7.950 ( -0.064 4.965 -0.057) 4.966 8.674 ( 0.042 -3.911 0.033) 3.911 8.766 ( -1.033 -18.575 0.350) 18.607 9.259 ( 0.907 4.675 -0.155) 4.765 9.295 ( 0.068 -1.497 0.363) 1.542 10.444 ( -0.393 1.176 -0.347) 1.288 10.832 ( -0.813 -17.286 0.146) 17.305 12.092 ( 0.496 2.995 0.037) 3.036 12.167 ( -0.134 2.010 -0.009) 2.014 12.290 ( 0.005 -0.029 0.005) 0.030 12.316 ( -0.095 1.106 0.007) 1.110 15.981 ( -0.002 0.188 -0.044) 0.193 16.095 ( -0.173 0.077 0.034) 0.192 16.374 ( 0.325 -2.662 -0.273) 2.695 16.425 ( -0.548 -0.892 0.367) 1.109 18.205 ( 0.565 1.172 0.073) 1.303 18.247 ( -0.298 1.839 -0.501) 1.929======================= Grid point 286 (146/150) =======================q-point: (-0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( -0.000 -0.386 0.000) 0.386 1.353 ( -0.000 13.360 0.000) 13.360 1.594 ( -0.000 -5.350 0.000) 5.350 1.727 ( -0.000 -3.419 -0.000) 3.419 2.038 ( 0.000 -8.381 0.000) 8.381 2.054 ( -0.000 5.020 -0.000) 5.020 2.252 ( 0.000 2.825 0.000) 2.825 2.401 ( 0.000 -4.316 0.000) 4.316 2.475 ( -0.000 0.085 0.000) 0.085 2.733 ( -0.000 -1.498 -0.000) 1.498 2.971 ( 0.000 0.404 0.000) 0.404 3.034 ( -0.000 -7.664 -0.000) 7.664 3.231 ( -0.000 15.167 0.000) 15.167 3.422 ( -0.000 2.812 0.000) 2.812 3.517 ( 0.000 0.047 0.000) 0.047 3.680 ( -0.000 -5.013 0.000) 5.013 3.934 ( -0.000 -3.375 0.000) 3.375 4.417 ( -0.000 0.275 0.000) 0.275 4.724 ( -0.000 2.732 0.000) 2.732 4.950 ( -0.000 -1.667 -0.000) 1.667 4.965 ( 0.000 -0.828 0.000) 0.828 5.057 ( 0.000 2.217 0.000) 2.217 5.341 ( -0.000 -1.763 0.000) 1.763 5.438 ( -0.000 0.245 0.000) 0.245 5.599 ( -0.000 -0.448 0.000) 0.448 6.606 ( -0.000 0.925 0.000) 0.925 7.045 ( -0.000 0.141 0.000) 0.141 7.272 ( -0.000 -1.109 0.000) 1.109 7.429 ( -0.000 1.307 0.000) 1.307 7.598 ( -0.000 0.240 0.000) 0.240 7.628 ( 0.000 0.622 -0.000) 0.622 7.907 ( -0.000 -0.209 0.000) 0.209 8.710 ( -0.000 0.108 0.000) 0.108 8.997 ( -0.000 -5.743 0.000) 5.743 9.153 ( -0.000 5.450 0.000) 5.450 9.303 ( 0.000 0.671 0.000) 0.671 10.442 ( 0.000 -1.088 0.000) 1.088 11.019 ( -0.000 -2.539 0.000) 2.539 12.048 ( -0.000 1.530 0.000) 1.530 12.153 ( -0.000 -0.571 0.000) 0.571 12.292 ( 0.000 -0.142 0.000) 0.142 12.306 ( -0.000 -0.029 0.000) 0.029 15.979 ( -0.000 0.027 0.000) 0.027 16.098 ( 0.000 -0.505 0.000) 0.505 16.395 ( -0.000 0.450 0.000) 0.450 16.441 ( 0.000 -1.030 -0.000) 1.030 18.191 ( -0.000 0.575 0.000) 0.575 18.230 ( -0.000 -0.112 0.000) 0.112======================= Grid point 292 (147/150) =======================q-point: ( 0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( 1.802 -0.000 -1.048) 2.085 0.854 ( -2.623 0.000 -2.958) 3.954 1.362 ( 13.674 -0.000 3.991) 14.245 1.760 ( -7.976 0.000 -7.460) 10.921 1.866 ( -0.088 0.000 1.312) 1.315 1.947 ( -2.690 0.000 1.017) 2.876 2.154 ( 0.425 -0.000 -1.229) 1.301 2.368 ( 0.540 -0.000 1.908) 1.983 2.686 ( 0.807 -0.000 -0.913) 1.218 2.708 ( 1.394 -0.000 6.599) 6.744 2.755 ( 0.133 -0.000 0.213) 0.251 3.020 ( 2.083 -0.000 -11.220) 11.412 3.451 ( 0.453 -0.000 6.795) 6.810 3.569 ( -2.733 0.000 -2.620) 3.786 3.607 ( -0.171 0.000 0.218) 0.277 3.699 ( 0.025 -0.000 0.688) 0.688 4.114 ( -1.946 0.000 -0.888) 2.139 4.260 ( -0.359 0.000 -0.353) 0.504 4.480 ( 0.722 -0.000 1.065) 1.286 4.585 ( 0.214 -0.000 0.240) 0.322 5.078 ( 0.827 -0.000 0.412) 0.924 5.127 ( -0.095 0.000 0.399) 0.411 5.514 ( -0.014 0.000 -0.056) 0.058 5.539 ( -0.033 0.000 -0.613) 0.614 5.573 ( -0.042 0.000 0.565) 0.566 6.050 ( -0.167 0.000 0.391) 0.425 7.054 ( -0.778 0.000 -0.488) 0.918 7.204 ( 0.233 -0.000 -0.045) 0.237 7.510 ( -0.011 0.000 -0.030) 0.032 7.546 ( -0.756 0.000 0.264) 0.801 7.732 ( 1.108 -0.000 0.333) 1.157 7.805 ( 0.206 -0.000 0.191) 0.281 8.343 ( -0.053 0.000 -0.254) 0.259 8.471 ( -0.238 0.000 -0.028) 0.240 9.178 ( -0.060 0.000 -0.114) 0.129 9.311 ( 1.700 -0.000 0.095) 1.702 10.057 ( 0.178 -0.000 -0.065) 0.190 10.552 ( -1.445 0.000 -1.829) 2.330 12.184 ( 1.220 -0.000 0.013) 1.220 12.259 ( -0.647 0.000 0.151) 0.665 12.291 ( 0.138 -0.000 0.070) 0.154 12.415 ( -1.265 0.000 0.437) 1.339 16.000 ( 0.054 -0.000 -0.124) 0.135 16.133 ( -1.688 0.000 0.162) 1.695 16.192 ( 0.773 -0.000 0.242) 0.810 16.371 ( -0.821 0.000 -0.261) 0.861 18.260 ( 3.047 -0.000 0.770) 3.143 18.364 ( -0.597 0.000 -3.028) 3.086======================= Grid point 293 (148/150) =======================q-point: ( 0.50 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.822 ( -1.251 0.714 -1.032) 1.772 1.056 ( 0.613 -30.456 -0.878) 30.475 1.452 ( 7.316 -0.469 3.262) 8.024 1.704 ( -4.329 -2.111 -4.066) 6.302 1.840 ( -0.096 4.125 0.553) 4.163 1.966 ( -1.433 -3.502 -0.339) 3.799 2.163 ( -0.046 -0.722 -0.348) 0.803 2.383 ( 0.234 -1.073 1.058) 1.525 2.654 ( 1.046 8.383 2.666) 8.858 2.680 ( -0.061 0.746 1.113) 1.341 2.727 ( -0.662 0.210 -1.775) 1.906 3.098 ( 1.339 -4.878 -5.555) 7.513 3.422 ( 0.051 7.164 4.718) 8.579 3.471 ( -0.380 0.526 0.086) 0.655 3.632 ( 0.725 -0.210 -1.627) 1.793 3.692 ( -1.761 0.369 -0.354) 1.834 4.172 ( -0.193 -6.159 0.033) 6.162 4.220 ( -0.716 5.194 -0.129) 5.245 4.503 ( 0.852 -2.842 0.899) 3.101 4.641 ( -0.033 -6.044 -0.177) 6.047 5.056 ( 0.490 1.205 0.508) 1.397 5.182 ( -0.199 -4.156 -0.134) 4.163 5.409 ( -0.014 8.979 0.197) 8.981 5.528 ( 0.004 1.134 -0.224) 1.156 5.621 ( -0.203 -1.472 0.113) 1.490 6.159 ( 0.074 -11.288 0.098) 11.289 7.046 ( -0.398 0.277 -0.203) 0.526 7.357 ( -0.177 -10.349 0.136) 10.351 7.540 ( 0.623 -2.090 0.114) 2.183 7.549 ( -0.635 -2.340 0.296) 2.443 7.696 ( 0.441 4.264 0.215) 4.292 7.898 ( -0.461 -12.562 0.031) 12.570 8.276 ( 0.126 6.284 0.034) 6.285 8.504 ( -0.093 -3.637 0.006) 3.638 9.201 ( 0.055 -2.440 0.005) 2.441 9.321 ( 0.911 0.060 0.063) 0.916 10.172 ( -0.172 -12.506 0.016) 12.507 10.523 ( -0.800 2.052 -0.899) 2.379 12.178 ( 0.695 1.432 0.010) 1.592 12.245 ( -0.362 1.245 0.086) 1.300 12.291 ( 0.115 0.058 0.034) 0.133 12.388 ( -0.616 2.107 0.153) 2.200 15.995 ( 0.037 0.537 -0.071) 0.543 16.115 ( -0.720 0.817 0.062) 1.091 16.233 ( 0.436 -3.661 0.206) 3.693 16.381 ( -0.616 -1.366 -0.157) 1.507 18.265 ( 1.791 1.574 0.701) 2.486 18.336 ( -0.682 2.076 -1.786) 2.822======================= Grid point 294 (149/150) =======================q-point: ( 0.62 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -0.000 -2.385 0.000) 2.385 1.479 ( 0.000 -1.149 0.000) 1.149 1.515 ( -0.000 -14.944 0.000) 14.944 1.732 ( -0.000 7.063 0.000) 7.063 1.861 ( 0.000 -18.450 0.000) 18.450 1.998 ( -0.000 0.701 0.000) 0.701 2.174 ( -0.000 -0.799 -0.000) 0.799 2.405 ( -0.000 -1.192 0.000) 1.192 2.500 ( -0.000 8.583 0.000) 8.583 2.674 ( -0.000 -0.122 -0.000) 0.122 2.726 ( -0.000 -1.533 0.000) 1.533 3.097 ( 0.000 4.805 0.000) 4.805 3.381 ( -0.000 -2.816 -0.000) 2.816 3.458 ( -0.000 1.811 0.000) 1.811 3.622 ( -0.000 1.151 0.000) 1.151 3.705 ( -0.000 -2.489 0.000) 2.489 4.050 ( -0.000 12.538 0.000) 12.538 4.287 ( -0.000 -6.053 0.000) 6.053 4.593 ( -0.000 -6.049 0.000) 6.049 4.782 ( -0.000 -8.833 0.000) 8.833 5.053 ( -0.000 -0.441 0.000) 0.441 5.221 ( -0.000 11.405 0.000) 11.405 5.250 ( -0.000 -3.365 0.000) 3.365 5.500 ( -0.000 2.012 0.000) 2.012 5.617 ( -0.000 1.046 0.000) 1.046 6.379 ( -0.000 -11.744 0.000) 11.744 7.042 ( -0.000 -0.083 0.000) 0.083 7.394 ( -0.000 3.302 0.000) 3.302 7.563 ( 0.000 3.173 0.000) 3.173 7.592 ( -0.000 -1.610 0.000) 1.610 7.633 ( -0.000 0.683 0.000) 0.683 8.062 ( -0.000 5.296 0.000) 5.296 8.361 ( -0.000 -23.445 0.000) 23.445 8.587 ( -0.000 -5.310 0.000) 5.310 9.253 ( -0.000 -3.022 0.000) 3.022 9.314 ( -0.000 1.405 0.000) 1.405 10.474 ( -0.000 -20.387 0.000) 20.387 10.476 ( 0.000 2.500 0.000) 2.500 12.145 ( -0.000 2.509 0.000) 2.509 12.210 ( -0.000 2.428 0.000) 2.428 12.291 ( -0.000 0.059 0.000) 0.059 12.345 ( -0.000 2.157 0.000) 2.157 15.986 ( -0.000 0.412 0.000) 0.412 16.100 ( -0.000 0.587 0.000) 0.587 16.310 ( 0.000 -4.391 0.000) 4.391 16.403 ( -0.000 -1.322 0.000) 1.322 18.237 ( -0.000 1.982 -0.000) 1.982 18.288 ( -0.000 2.712 0.000) 2.712======================= Grid point 303 (150/150) =======================q-point: (-0.50 -0.50 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( 0.000 -0.000 -0.000) 0.000 0.828 ( 0.000 -0.000 -0.000) 0.000 1.504 ( -0.000 0.000 -0.000) 0.000 1.656 ( 0.000 -0.000 -0.000) 0.000 1.867 ( 0.000 -0.000 -0.000) 0.000 1.928 ( 0.000 -0.000 -0.000) 0.000 2.156 ( 0.000 -0.000 -0.000) 0.000 2.374 ( 0.000 -0.000 -0.000) 0.000 2.691 ( 0.000 -0.000 -0.000) 0.000 2.724 ( 0.000 -0.000 0.000) 0.000 2.757 ( 0.000 -0.000 -0.000) 0.000 3.025 ( 0.000 -0.000 -0.000) 0.000 3.463 ( -0.000 0.000 -0.000) 0.000 3.544 ( 0.000 -0.000 -0.000) 0.000 3.606 ( 0.000 -0.000 -0.000) 0.000 3.697 ( 0.000 -0.000 -0.000) 0.000 4.100 ( 0.000 -0.000 -0.000) 0.000 4.257 ( 0.000 -0.000 -0.000) 0.000 4.487 ( 0.000 -0.000 -0.000) 0.000 4.587 ( 0.000 -0.000 -0.000) 0.000 5.085 ( 0.000 -0.000 -0.000) 0.000 5.127 ( 0.000 -0.000 -0.000) 0.000 5.514 ( 0.000 -0.000 -0.000) 0.000 5.538 ( 0.000 -0.000 -0.000) 0.000 5.573 ( 0.000 -0.000 -0.000) 0.000 6.050 ( 0.000 -0.000 -0.000) 0.000 7.047 ( 0.000 -0.000 -0.000) 0.000 7.205 ( 0.000 -0.000 -0.000) 0.000 7.510 ( 0.000 -0.000 -0.000) 0.000 7.541 ( 0.000 -0.000 -0.000) 0.000 7.740 ( 0.000 -0.000 -0.000) 0.000 7.807 ( 0.000 -0.000 -0.000) 0.000 8.343 ( 0.000 -0.000 -0.000) 0.000 8.469 ( 0.000 -0.000 -0.000) 0.000 9.177 ( 0.000 -0.000 -0.000) 0.000 9.325 ( 0.000 -0.000 -0.000) 0.000 10.058 ( 0.000 -0.000 -0.000) 0.000 10.539 ( 0.000 -0.000 -0.000) 0.000 12.193 ( 0.000 -0.000 -0.000) 0.000 12.254 ( -0.000 0.000 -0.000) 0.000 12.293 ( 0.000 -0.000 -0.000) 0.000 12.406 ( 0.000 -0.000 -0.000) 0.000 16.001 ( 0.000 -0.000 -0.000) 0.000 16.121 ( 0.000 -0.000 -0.000) 0.000 16.198 ( -0.000 0.000 -0.000) 0.000 16.365 ( 0.000 -0.000 -0.000) 0.000 18.289 ( 0.000 -0.000 0.000) 0.000 18.351 ( 0.000 -0.000 -0.000) 0.000=================== 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 3/24576 10.0 16.783 21.245 6.994 -0.000 0.483 -0.000 3/24576 20.0 4.456 10.976 2.530 -0.000 0.006 -0.000 3/24576 30.0 2.364 6.742 1.642 -0.000 0.002 -0.000 3/24576 40.0 1.627 4.879 1.240 -0.000 0.015 -0.000 3/24576 50.0 1.254 3.870 0.998 -0.000 0.022 -0.000 3/24576 60.0 1.027 3.249 0.836 -0.000 0.024 -0.000 3/24576 70.0 0.872 2.832 0.720 -0.000 0.025 -0.000 3/24576 80.0 0.761 2.533 0.633 -0.000 0.024 -0.000 3/24576 90.0 0.676 2.307 0.566 -0.000 0.023 -0.000 3/24576 100.0 0.610 2.128 0.513 -0.000 0.022 -0.000 3/24576 110.0 0.557 1.981 0.470 -0.000 0.020 -0.000 3/24576 120.0 0.513 1.856 0.434 -0.000 0.019 -0.000 3/24576 130.0 0.476 1.748 0.404 -0.000 0.018 -0.000 3/24576 140.0 0.445 1.653 0.378 -0.000 0.017 -0.000 3/24576 150.0 0.418 1.569 0.356 -0.000 0.016 -0.000 3/24576 160.0 0.395 1.492 0.336 -0.000 0.015 -0.000 3/24576 170.0 0.374 1.424 0.319 -0.000 0.014 -0.000 3/24576 180.0 0.355 1.361 0.304 -0.000 0.013 -0.000 3/24576 190.0 0.339 1.303 0.290 -0.000 0.012 -0.000 3/24576 200.0 0.324 1.250 0.278 -0.000 0.012 -0.000 3/24576 210.0 0.310 1.201 0.266 -0.000 0.011 -0.000 3/24576 220.0 0.298 1.156 0.256 -0.000 0.011 -0.000 3/24576 230.0 0.286 1.114 0.246 -0.000 0.010 -0.000 3/24576 240.0 0.276 1.075 0.238 -0.000 0.010 -0.000 3/24576 250.0 0.266 1.038 0.230 -0.000 0.010 -0.000 3/24576 260.0 0.257 1.004 0.222 -0.000 0.009 -0.000 3/24576 270.0 0.249 0.972 0.215 -0.000 0.009 -0.000 3/24576 280.0 0.241 0.942 0.208 -0.000 0.009 -0.000 3/24576 290.0 0.233 0.913 0.202 -0.000 0.008 -0.000 3/24576 300.0 0.227 0.886 0.196 -0.000 0.008 -0.000 3/24576 310.0 0.220 0.861 0.191 -0.000 0.008 -0.000 3/24576 320.0 0.214 0.837 0.185 -0.000 0.008 -0.000 3/24576 330.0 0.208 0.814 0.181 -0.000 0.007 -0.000 3/24576 340.0 0.203 0.793 0.176 -0.000 0.007 -0.000 3/24576 350.0 0.197 0.772 0.171 -0.000 0.007 -0.000 3/24576 360.0 0.192 0.753 0.167 -0.000 0.007 -0.000 3/24576 370.0 0.188 0.734 0.163 -0.000 0.007 -0.000 3/24576 380.0 0.183 0.716 0.159 -0.000 0.006 -0.000 3/24576 390.0 0.179 0.699 0.156 -0.000 0.006 -0.000 3/24576 400.0 0.175 0.683 0.152 -0.000 0.006 -0.000 3/24576 410.0 0.171 0.668 0.149 -0.000 0.006 -0.000 3/24576 420.0 0.167 0.653 0.146 -0.000 0.006 -0.000 3/24576 430.0 0.164 0.639 0.143 -0.000 0.006 -0.000 3/24576 440.0 0.160 0.626 0.140 -0.000 0.006 -0.000 3/24576 450.0 0.157 0.613 0.137 -0.000 0.005 -0.000 3/24576 460.0 0.154 0.600 0.134 -0.000 0.005 -0.000 3/24576 470.0 0.151 0.588 0.132 -0.000 0.005 -0.000 3/24576 480.0 0.148 0.577 0.129 -0.000 0.005 -0.000 3/24576 490.0 0.145 0.565 0.127 -0.000 0.005 -0.000 3/24576 500.0 0.142 0.555 0.124 -0.000 0.005 -0.000 3/24576 510.0 0.140 0.544 0.122 -0.000 0.005 -0.000 3/24576 520.0 0.137 0.535 0.120 -0.000 0.005 -0.000 3/24576 530.0 0.135 0.525 0.118 -0.000 0.005 -0.000 3/24576 540.0 0.132 0.516 0.116 -0.000 0.005 -0.000 3/24576 550.0 0.130 0.507 0.114 -0.000 0.004 -0.000 3/24576 560.0 0.128 0.498 0.112 -0.000 0.004 -0.000 3/24576 570.0 0.126 0.490 0.110 -0.000 0.004 -0.000 3/24576 580.0 0.124 0.482 0.108 -0.000 0.004 -0.000 3/24576 590.0 0.122 0.474 0.107 -0.000 0.004 -0.000 3/24576 600.0 0.120 0.466 0.105 -0.000 0.004 -0.000 3/24576 610.0 0.118 0.459 0.103 -0.000 0.004 -0.000 3/24576 620.0 0.116 0.452 0.102 -0.000 0.004 -0.000 3/24576 630.0 0.114 0.445 0.100 -0.000 0.004 -0.000 3/24576 640.0 0.113 0.438 0.099 -0.000 0.004 -0.000 3/24576 650.0 0.111 0.432 0.097 -0.000 0.004 -0.000 3/24576 660.0 0.109 0.426 0.096 -0.000 0.004 -0.000 3/24576 670.0 0.108 0.419 0.095 -0.000 0.004 -0.000 3/24576 680.0 0.106 0.413 0.093 -0.000 0.004 -0.000 3/24576 690.0 0.105 0.408 0.092 -0.000 0.004 -0.000 3/24576 700.0 0.103 0.402 0.091 -0.000 0.004 -0.000 3/24576 710.0 0.102 0.397 0.089 -0.000 0.004 -0.000 3/24576 720.0 0.101 0.391 0.088 -0.000 0.003 -0.000 3/24576 730.0 0.099 0.386 0.087 -0.000 0.003 -0.000 3/24576 740.0 0.098 0.381 0.086 -0.000 0.003 -0.000 3/24576 750.0 0.097 0.376 0.085 -0.000 0.003 -0.000 3/24576 760.0 0.096 0.371 0.084 -0.000 0.003 -0.000 3/24576 770.0 0.094 0.367 0.083 -0.000 0.003 -0.000 3/24576 780.0 0.093 0.362 0.082 -0.000 0.003 -0.000 3/24576 790.0 0.092 0.357 0.081 -0.000 0.003 -0.000 3/24576 800.0 0.091 0.353 0.080 -0.000 0.003 -0.000 3/24576 810.0 0.090 0.349 0.079 -0.000 0.003 -0.000 3/24576 820.0 0.089 0.345 0.078 -0.000 0.003 -0.000 3/24576 830.0 0.088 0.341 0.077 -0.000 0.003 -0.000 3/24576 840.0 0.087 0.337 0.076 -0.000 0.003 -0.000 3/24576 850.0 0.086 0.333 0.075 -0.000 0.003 -0.000 3/24576 860.0 0.085 0.329 0.074 -0.000 0.003 -0.000 3/24576 870.0 0.084 0.325 0.074 -0.000 0.003 -0.000 3/24576 880.0 0.083 0.322 0.073 -0.000 0.003 -0.000 3/24576 890.0 0.082 0.318 0.072 -0.000 0.003 -0.000 3/24576 900.0 0.081 0.315 0.071 -0.000 0.003 -0.000 3/24576 910.0 0.080 0.311 0.070 -0.000 0.003 -0.000 3/24576 920.0 0.079 0.308 0.070 -0.000 0.003 -0.000 3/24576 930.0 0.079 0.305 0.069 -0.000 0.003 -0.000 3/24576 940.0 0.078 0.302 0.068 -0.000 0.003 -0.000 3/24576 950.0 0.077 0.299 0.068 -0.000 0.003 -0.000 3/24576 960.0 0.076 0.295 0.067 -0.000 0.003 -0.000 3/24576 970.0 0.075 0.293 0.066 -0.000 0.003 -0.000 3/24576 980.0 0.075 0.290 0.066 -0.000 0.003 -0.000 3/24576 990.0 0.074 0.287 0.065 -0.000 0.003 -0.000 3/24576 1000.0 0.073 0.284 0.064 -0.000 0.003 -0.000 3/24576Thermal conductivity related properties were written into "kappa-m888.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 16:44:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | 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