----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:35:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 17.907727160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.439832550000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.724289820000001 Atomic positions (fractional): *1 Nd 0.39719099264463 0.49102679176044 0.02290673594731 144.242 *2 Nd 0.71822162140302 0.75000000000000 0.45590360843602 144.242 *3 Nd 0.51410411758748 0.75000000000000 0.48077116856259 144.242 4 Nd 0.10280900735536 0.99102679176044 0.52290673594731 144.242 5 Nd 0.78177837859698 0.25000000000000 0.95590360843602 144.242 6 Nd 0.60280900735537 0.50897320823956 0.97709326405269 144.242 7 Nd 0.89719099264463 0.00897320823956 0.47709326405269 144.242 8 Nd 0.60280900735537 0.99102679176044 0.97709326405269 144.242 9 Nd 0.98589588241252 0.25000000000000 0.98077116856259 144.242 10 Nd 0.89719099264463 0.49102679176044 0.47709326405269 144.242 11 Nd 0.01410411758748 0.75000000000000 0.01922883143741 144.242 12 Nd 0.28177837859698 0.25000000000000 0.54409639156398 144.242 13 Nd 0.21822162140302 0.75000000000000 0.04409639156398 144.242 14 Nd 0.39719099264463 0.00897320823956 0.02290673594731 144.242 15 Nd 0.10280900735536 0.50897320823956 0.52290673594731 144.242 16 Nd 0.48589588241252 0.25000000000000 0.51922883143741 144.242 *17 Ge 0.30797798111608 0.75000000000000 0.51061391801639 72.640 18 Ge 0.69202201888392 0.25000000000000 0.48938608198361 72.640 19 Ge 0.19202201888392 0.25000000000000 0.01061391801639 72.640 20 Ge 0.80797798111608 0.75000000000000 0.98938608198361 72.640 *21 O 0.87420707515013 0.25000000000000 0.22105637553752 15.999 *22 O 0.66157285646187 0.25000000000000 0.19481569958464 15.999 *23 O 0.11592262976419 0.75000000000000 0.27159278726338 15.999 *24 O 0.25449882713051 0.94022625959504 0.42690886758656 15.999 *25 O 0.49390356006393 0.98090801402510 0.75806569884922 15.999 26 O 0.61592262976419 0.75000000000000 0.22840721273662 15.999 27 O 0.00609643993607 0.01909198597490 0.25806569884922 15.999 *28 O 0.61676965669711 0.25000000000000 0.69437259336699 15.999 29 O 0.37420707515013 0.25000000000000 0.27894362446248 15.999 30 O 0.50609643993607 0.01909198597490 0.24193430115078 15.999 31 O 0.38407737023581 0.25000000000000 0.77159278726338 15.999 32 O 0.75449882713051 0.55977374040496 0.07309113241344 15.999 33 O 0.38323034330289 0.75000000000000 0.30562740663301 15.999 34 O 0.62579292484987 0.75000000000000 0.72105637553752 15.999 35 O 0.74550117286949 0.44022625959504 0.57309113241344 15.999 36 O 0.99390356006393 0.98090801402510 0.74193430115078 15.999 37 O 0.99390356006393 0.51909198597490 0.74193430115078 15.999 38 O 0.25449882713051 0.55977374040496 0.42690886758656 15.999 39 O 0.88407737023581 0.25000000000000 0.72840721273662 15.999 40 O 0.75449882713051 0.94022625959504 0.07309113241344 15.999 41 O 0.83842714353813 0.75000000000000 0.69481569958464 15.999 42 O 0.50609643993607 0.48090801402510 0.24193430115078 15.999 43 O 0.49390356006393 0.51909198597490 0.75806569884922 15.999 44 O 0.24550117286949 0.05977374040496 0.92690886758656 15.999 45 O 0.88323034330289 0.75000000000000 0.19437259336699 15.999 46 O 0.12579292484987 0.75000000000000 0.77894362446248 15.999 47 O 0.11676965669711 0.25000000000000 0.80562740663301 15.999 48 O 0.24550117286949 0.44022625959504 0.92690886758656 15.999 49 O 0.33842714353813 0.75000000000000 0.80518430041536 15.999 50 O 0.00609643993607 0.48090801402510 0.25806569884922 15.999 51 O 0.74550117286949 0.05977374040496 0.57309113241344 15.999 52 O 0.16157285646187 0.25000000000000 0.30518430041536 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 17.907727160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.439832550000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.724289820000001 Atomic positions (fractional): *1 Nd 0.39719099264463 0.49102679176044 0.02290673594731 144.242 > 1 *2 Nd 0.71822162140302 0.75000000000000 0.45590360843602 144.242 > 2 *3 Nd 0.51410411758748 0.75000000000000 0.48077116856259 144.242 > 3 4 Nd 0.10280900735536 0.99102679176044 0.52290673594731 144.242 > 4 5 Nd 0.78177837859698 0.25000000000000 0.95590360843602 144.242 > 5 6 Nd 0.60280900735537 0.50897320823956 0.97709326405269 144.242 > 6 7 Nd 0.89719099264463 0.00897320823956 0.47709326405269 144.242 > 7 8 Nd 0.60280900735537 0.99102679176044 0.97709326405269 144.242 > 8 9 Nd 0.98589588241252 0.25000000000000 0.98077116856259 144.242 > 9 10 Nd 0.89719099264463 0.49102679176044 0.47709326405269 144.242 > 10 11 Nd 0.01410411758748 0.75000000000000 0.01922883143741 144.242 > 11 12 Nd 0.28177837859698 0.25000000000000 0.54409639156398 144.242 > 12 13 Nd 0.21822162140302 0.75000000000000 0.04409639156398 144.242 > 13 14 Nd 0.39719099264463 0.00897320823956 0.02290673594731 144.242 > 14 15 Nd 0.10280900735536 0.50897320823956 0.52290673594731 144.242 > 15 16 Nd 0.48589588241252 0.25000000000000 0.51922883143741 144.242 > 16 *17 Ge 0.30797798111608 0.75000000000000 0.51061391801639 72.640 > 17 18 Ge 0.69202201888392 0.25000000000000 0.48938608198361 72.640 > 18 19 Ge 0.19202201888392 0.25000000000000 0.01061391801639 72.640 > 19 20 Ge 0.80797798111608 0.75000000000000 0.98938608198361 72.640 > 20 *21 O 0.87420707515013 0.25000000000000 0.22105637553752 15.999 > 21 *22 O 0.66157285646187 0.25000000000000 0.19481569958464 15.999 > 22 *23 O 0.11592262976419 0.75000000000000 0.27159278726338 15.999 > 23 *24 O 0.25449882713051 0.94022625959504 0.42690886758656 15.999 > 24 *25 O 0.49390356006393 0.98090801402510 0.75806569884922 15.999 > 25 26 O 0.61592262976419 0.75000000000000 0.22840721273662 15.999 > 26 27 O 0.00609643993607 0.01909198597490 0.25806569884922 15.999 > 27 *28 O 0.61676965669711 0.25000000000000 0.69437259336699 15.999 > 28 29 O 0.37420707515013 0.25000000000000 0.27894362446248 15.999 > 29 30 O 0.50609643993607 0.01909198597490 0.24193430115078 15.999 > 30 31 O 0.38407737023581 0.25000000000000 0.77159278726338 15.999 > 31 32 O 0.75449882713051 0.55977374040496 0.07309113241344 15.999 > 32 33 O 0.38323034330289 0.75000000000000 0.30562740663301 15.999 > 33 34 O 0.62579292484987 0.75000000000000 0.72105637553752 15.999 > 34 35 O 0.74550117286949 0.44022625959504 0.57309113241344 15.999 > 35 36 O 0.99390356006393 0.98090801402510 0.74193430115078 15.999 > 36 37 O 0.99390356006393 0.51909198597490 0.74193430115078 15.999 > 37 38 O 0.25449882713051 0.55977374040496 0.42690886758656 15.999 > 38 39 O 0.88407737023581 0.25000000000000 0.72840721273662 15.999 > 39 40 O 0.75449882713051 0.94022625959504 0.07309113241344 15.999 > 40 41 O 0.83842714353813 0.75000000000000 0.69481569958464 15.999 > 41 42 O 0.50609643993607 0.48090801402510 0.24193430115078 15.999 > 42 43 O 0.49390356006393 0.51909198597490 0.75806569884922 15.999 > 43 44 O 0.24550117286949 0.05977374040496 0.92690886758656 15.999 > 44 45 O 0.88323034330289 0.75000000000000 0.19437259336699 15.999 > 45 46 O 0.12579292484987 0.75000000000000 0.77894362446248 15.999 > 46 47 O 0.11676965669711 0.25000000000000 0.80562740663301 15.999 > 47 48 O 0.24550117286949 0.44022625959504 0.92690886758656 15.999 > 48 49 O 0.33842714353813 0.75000000000000 0.80518430041536 15.999 > 49 50 O 0.00609643993607 0.48090801402510 0.25806569884922 15.999 > 50 51 O 0.74550117286949 0.05977374040496 0.57309113241344 15.999 > 51 52 O 0.16157285646187 0.25000000000000 0.30518430041536 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.907727160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.439832550000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.448579640000002 Atomic positions (fractional): *1 Nd 0.39719099264463 0.49102679176044 0.01145336797365 144.242 > 1 2 Nd 0.39719099264463 0.49102679176044 0.51145336797365 144.242 > 1 *3 Nd 0.71822162140302 0.75000000000000 0.22795180421801 144.242 > 2 4 Nd 0.71822162140302 0.75000000000000 0.72795180421801 144.242 > 2 *5 Nd 0.51410411758748 0.75000000000000 0.24038558428129 144.242 > 3 6 Nd 0.51410411758748 0.75000000000000 0.74038558428129 144.242 > 3 7 Nd 0.10280900735536 0.99102679176044 0.26145336797365 144.242 > 4 8 Nd 0.10280900735536 0.99102679176044 0.76145336797365 144.242 > 4 9 Nd 0.78177837859698 0.25000000000000 0.47795180421801 144.242 > 5 10 Nd 0.78177837859698 0.25000000000000 0.97795180421801 144.242 > 5 11 Nd 0.60280900735537 0.50897320823956 0.48854663202635 144.242 > 6 12 Nd 0.60280900735537 0.50897320823956 0.98854663202635 144.242 > 6 13 Nd 0.89719099264463 0.00897320823956 0.23854663202635 144.242 > 7 14 Nd 0.89719099264463 0.00897320823956 0.73854663202635 144.242 > 7 15 Nd 0.60280900735537 0.99102679176044 0.48854663202635 144.242 > 8 16 Nd 0.60280900735537 0.99102679176044 0.98854663202635 144.242 > 8 17 Nd 0.98589588241252 0.25000000000000 0.49038558428129 144.242 > 9 18 Nd 0.98589588241252 0.25000000000000 0.99038558428129 144.242 > 9 19 Nd 0.89719099264463 0.49102679176044 0.23854663202635 144.242 > 10 20 Nd 0.89719099264463 0.49102679176044 0.73854663202635 144.242 > 10 21 Nd 0.01410411758748 0.75000000000000 0.00961441571871 144.242 > 11 22 Nd 0.01410411758748 0.75000000000000 0.50961441571871 144.242 > 11 23 Nd 0.28177837859698 0.25000000000000 0.27204819578199 144.242 > 12 24 Nd 0.28177837859698 0.25000000000000 0.77204819578199 144.242 > 12 25 Nd 0.21822162140302 0.75000000000000 0.02204819578199 144.242 > 13 26 Nd 0.21822162140302 0.75000000000000 0.52204819578199 144.242 > 13 27 Nd 0.39719099264463 0.00897320823956 0.01145336797365 144.242 > 14 28 Nd 0.39719099264463 0.00897320823956 0.51145336797365 144.242 > 14 29 Nd 0.10280900735536 0.50897320823956 0.26145336797365 144.242 > 15 30 Nd 0.10280900735536 0.50897320823956 0.76145336797365 144.242 > 15 31 Nd 0.48589588241252 0.25000000000000 0.25961441571871 144.242 > 16 32 Nd 0.48589588241252 0.25000000000000 0.75961441571871 144.242 > 16 *33 Ge 0.30797798111608 0.75000000000000 0.25530695900820 72.640 > 17 34 Ge 0.30797798111608 0.75000000000000 0.75530695900820 72.640 > 17 35 Ge 0.69202201888392 0.25000000000000 0.24469304099180 72.640 > 18 36 Ge 0.69202201888392 0.25000000000000 0.74469304099180 72.640 > 18 37 Ge 0.19202201888392 0.25000000000000 0.00530695900820 72.640 > 19 38 Ge 0.19202201888392 0.25000000000000 0.50530695900820 72.640 > 19 39 Ge 0.80797798111608 0.75000000000000 0.49469304099180 72.640 > 20 40 Ge 0.80797798111608 0.75000000000000 0.99469304099180 72.640 > 20 *41 O 0.87420707515013 0.25000000000000 0.11052818776876 15.999 > 21 42 O 0.87420707515013 0.25000000000000 0.61052818776876 15.999 > 21 *43 O 0.66157285646187 0.25000000000000 0.09740784979232 15.999 > 22 44 O 0.66157285646187 0.25000000000000 0.59740784979232 15.999 > 22 *45 O 0.11592262976419 0.75000000000000 0.13579639363169 15.999 > 23 46 O 0.11592262976419 0.75000000000000 0.63579639363169 15.999 > 23 *47 O 0.25449882713051 0.94022625959504 0.21345443379328 15.999 > 24 48 O 0.25449882713051 0.94022625959504 0.71345443379328 15.999 > 24 *49 O 0.49390356006393 0.98090801402510 0.37903284942461 15.999 > 25 50 O 0.49390356006393 0.98090801402510 0.87903284942461 15.999 > 25 51 O 0.61592262976419 0.75000000000000 0.11420360636831 15.999 > 26 52 O 0.61592262976419 0.75000000000000 0.61420360636831 15.999 > 26 53 O 0.00609643993607 0.01909198597490 0.12903284942461 15.999 > 27 54 O 0.00609643993607 0.01909198597490 0.62903284942461 15.999 > 27 *55 O 0.61676965669711 0.25000000000000 0.34718629668349 15.999 > 28 56 O 0.61676965669711 0.25000000000000 0.84718629668349 15.999 > 28 57 O 0.37420707515013 0.25000000000000 0.13947181223124 15.999 > 29 58 O 0.37420707515013 0.25000000000000 0.63947181223124 15.999 > 29 59 O 0.50609643993607 0.01909198597490 0.12096715057539 15.999 > 30 60 O 0.50609643993607 0.01909198597490 0.62096715057539 15.999 > 30 61 O 0.38407737023581 0.25000000000000 0.38579639363169 15.999 > 31 62 O 0.38407737023581 0.25000000000000 0.88579639363169 15.999 > 31 63 O 0.75449882713051 0.55977374040496 0.03654556620672 15.999 > 32 64 O 0.75449882713051 0.55977374040496 0.53654556620672 15.999 > 32 65 O 0.38323034330289 0.75000000000000 0.15281370331651 15.999 > 33 66 O 0.38323034330289 0.75000000000000 0.65281370331651 15.999 > 33 67 O 0.62579292484987 0.75000000000000 0.36052818776876 15.999 > 34 68 O 0.62579292484987 0.75000000000000 0.86052818776876 15.999 > 34 69 O 0.74550117286949 0.44022625959504 0.28654556620672 15.999 > 35 70 O 0.74550117286949 0.44022625959504 0.78654556620672 15.999 > 35 71 O 0.99390356006393 0.98090801402510 0.37096715057539 15.999 > 36 72 O 0.99390356006393 0.98090801402510 0.87096715057539 15.999 > 36 73 O 0.99390356006393 0.51909198597490 0.37096715057539 15.999 > 37 74 O 0.99390356006393 0.51909198597490 0.87096715057539 15.999 > 37 75 O 0.25449882713051 0.55977374040496 0.21345443379328 15.999 > 38 76 O 0.25449882713051 0.55977374040496 0.71345443379328 15.999 > 38 77 O 0.88407737023581 0.25000000000000 0.36420360636831 15.999 > 39 78 O 0.88407737023581 0.25000000000000 0.86420360636831 15.999 > 39 79 O 0.75449882713051 0.94022625959504 0.03654556620672 15.999 > 40 80 O 0.75449882713051 0.94022625959504 0.53654556620672 15.999 > 40 81 O 0.83842714353813 0.75000000000000 0.34740784979232 15.999 > 41 82 O 0.83842714353813 0.75000000000000 0.84740784979232 15.999 > 41 83 O 0.50609643993607 0.48090801402510 0.12096715057539 15.999 > 42 84 O 0.50609643993607 0.48090801402510 0.62096715057539 15.999 > 42 85 O 0.49390356006393 0.51909198597490 0.37903284942461 15.999 > 43 86 O 0.49390356006393 0.51909198597490 0.87903284942461 15.999 > 43 87 O 0.24550117286949 0.05977374040496 0.46345443379328 15.999 > 44 88 O 0.24550117286949 0.05977374040496 0.96345443379328 15.999 > 44 89 O 0.88323034330289 0.75000000000000 0.09718629668349 15.999 > 45 90 O 0.88323034330289 0.75000000000000 0.59718629668349 15.999 > 45 91 O 0.12579292484987 0.75000000000000 0.38947181223124 15.999 > 46 92 O 0.12579292484987 0.75000000000000 0.88947181223124 15.999 > 46 93 O 0.11676965669711 0.25000000000000 0.40281370331651 15.999 > 47 94 O 0.11676965669711 0.25000000000000 0.90281370331651 15.999 > 47 95 O 0.24550117286949 0.44022625959504 0.46345443379328 15.999 > 48 96 O 0.24550117286949 0.44022625959504 0.96345443379328 15.999 > 48 97 O 0.33842714353813 0.75000000000000 0.40259215020768 15.999 > 49 98 O 0.33842714353813 0.75000000000000 0.90259215020768 15.999 > 49 99 O 0.00609643993607 0.48090801402510 0.12903284942461 15.999 > 50 100 O 0.00609643993607 0.48090801402510 0.62903284942461 15.999 > 50 101 O 0.74550117286949 0.05977374040496 0.28654556620672 15.999 > 51 102 O 0.74550117286949 0.05977374040496 0.78654556620672 15.999 > 51 103 O 0.16157285646187 0.25000000000000 0.15259215020768 15.999 > 52 104 O 0.16157285646187 0.25000000000000 0.65259215020768 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2961705 0.0000000 0.0000000 0.0000000 4.1943508 0.0000000 0.0000000 0.0000000 4.5184703 -------------------------- Born effective charges -------------------------- 1 Nd 3.8466368 0.0578313 -0.0069704 0.2808925 3.6873052 0.0992873 0.1049986 -0.0462469 4.0722476 2 Nd 4.2090121 0.0000000 -0.1532555 -0.0000000 3.6775020 -0.0000000 0.0767141 0.0000000 4.2449200 3 Nd 3.4111526 0.0000000 0.0998358 -0.0000000 4.0802255 -0.0000000 -0.0021929 0.0000000 4.1640013 4 Nd 3.8466368 -0.0578313 0.0069704 -0.2808925 3.6873052 0.0992873 -0.1049986 -0.0462469 4.0722476 5 Nd 4.2090121 0.0000000 0.1532555 -0.0000000 3.6775020 -0.0000000 -0.0767141 0.0000000 4.2449200 6 Nd 3.8466368 0.0578313 -0.0069704 0.2808925 3.6873052 0.0992873 0.1049986 -0.0462469 4.0722476 7 Nd 3.8466368 -0.0578313 0.0069704 -0.2808925 3.6873052 0.0992873 -0.1049986 -0.0462469 4.0722476 8 Nd 3.8466368 -0.0578313 -0.0069704 -0.2808925 3.6873052 -0.0992873 0.1049986 0.0462469 4.0722476 9 Nd 3.4111526 0.0000000 -0.0998358 -0.0000000 4.0802255 -0.0000000 0.0021929 0.0000000 4.1640013 10 Nd 3.8466368 0.0578313 0.0069704 0.2808925 3.6873052 -0.0992873 -0.1049986 0.0462469 4.0722476 11 Nd 3.4111526 0.0000000 -0.0998358 -0.0000000 4.0802255 -0.0000000 0.0021929 0.0000000 4.1640013 12 Nd 4.2090121 0.0000000 -0.1532555 -0.0000000 3.6775020 -0.0000000 0.0767141 0.0000000 4.2449200 13 Nd 4.2090121 0.0000000 0.1532555 -0.0000000 3.6775020 -0.0000000 -0.0767141 0.0000000 4.2449200 14 Nd 3.8466368 -0.0578313 -0.0069704 -0.2808925 3.6873052 -0.0992873 0.1049986 0.0462469 4.0722476 15 Nd 3.8466368 0.0578313 0.0069704 0.2808925 3.6873052 -0.0992873 -0.1049986 0.0462469 4.0722476 16 Nd 3.4111526 0.0000000 0.0998358 -0.0000000 4.0802255 -0.0000000 -0.0021929 0.0000000 4.1640013 17 Ge 3.1463475 0.0000000 -0.0353992 -0.0000000 3.0424089 -0.0000000 -0.0528127 0.0000000 3.5092810 18 Ge 3.1463475 0.0000000 -0.0353992 -0.0000000 3.0424089 -0.0000000 -0.0528127 0.0000000 3.5092810 19 Ge 3.1463475 0.0000000 0.0353992 -0.0000000 3.0424089 -0.0000000 0.0528127 0.0000000 3.5092810 20 Ge 3.1463475 0.0000000 0.0353992 -0.0000000 3.0424089 -0.0000000 0.0528127 0.0000000 3.5092810 21 O -2.4654031 0.0000000 -0.4639938 -0.0000000 -2.1543994 -0.0000000 -0.5579169 0.0000000 -2.9935776 22 O -2.0412156 0.0000000 -0.2606139 -0.0000000 -1.9073657 -0.0000000 -0.3186528 0.0000000 -2.8063835 23 O -2.5366154 0.0000000 0.2497637 -0.0000000 -2.2528002 -0.0000000 0.2858813 0.0000000 -2.9016359 24 O -1.9588143 0.1239686 -0.1676012 0.2006807 -2.6890164 -0.1890010 -0.0392608 -0.2404224 -1.7210446 25 O -2.4924123 0.2394216 0.1150551 0.4101435 -2.2855092 -0.1871426 0.0630822 -0.1454792 -2.8036126 26 O -2.5366154 0.0000000 -0.2497637 -0.0000000 -2.2528002 -0.0000000 -0.2858813 0.0000000 -2.9016359 27 O -2.4924123 0.2394216 -0.1150551 0.4101435 -2.2855092 0.1871426 -0.0630822 0.1454792 -2.8036126 28 O -2.5140982 0.0000000 0.3670884 -0.0000000 -1.9111302 -0.0000000 0.2540958 0.0000000 -2.3117862 29 O -2.4654031 0.0000000 0.4639938 -0.0000000 -2.1543994 -0.0000000 0.5579169 0.0000000 -2.9935776 30 O -2.4924123 0.2394216 0.1150551 0.4101435 -2.2855092 -0.1871426 0.0630822 -0.1454792 -2.8036126 31 O -2.5366154 0.0000000 -0.2497637 -0.0000000 -2.2528002 -0.0000000 -0.2858813 0.0000000 -2.9016359 32 O -1.9588143 -0.1239686 0.1676012 -0.2006807 -2.6890164 -0.1890010 0.0392608 -0.2404224 -1.7210446 33 O -2.5140982 0.0000000 0.3670884 -0.0000000 -1.9111302 -0.0000000 0.2540958 0.0000000 -2.3117862 34 O -2.4654031 0.0000000 0.4639938 -0.0000000 -2.1543994 -0.0000000 0.5579169 0.0000000 -2.9935776 35 O -1.9588143 -0.1239686 -0.1676012 -0.2006807 -2.6890164 0.1890010 -0.0392608 0.2404224 -1.7210446 36 O -2.4924123 0.2394216 -0.1150551 0.4101435 -2.2855092 0.1871426 -0.0630822 0.1454792 -2.8036126 37 O -2.4924123 -0.2394216 -0.1150551 -0.4101435 -2.2855092 -0.1871426 -0.0630822 -0.1454792 -2.8036126 38 O -1.9588143 -0.1239686 -0.1676012 -0.2006807 -2.6890164 0.1890010 -0.0392608 0.2404224 -1.7210446 39 O -2.5366154 0.0000000 0.2497637 -0.0000000 -2.2528002 -0.0000000 0.2858813 0.0000000 -2.9016359 40 O -1.9588143 0.1239686 0.1676012 0.2006807 -2.6890164 0.1890010 0.0392608 0.2404224 -1.7210446 41 O -2.0412156 0.0000000 0.2606139 -0.0000000 -1.9073657 -0.0000000 0.3186528 0.0000000 -2.8063835 42 O -2.4924123 -0.2394216 0.1150551 -0.4101435 -2.2855092 0.1871426 0.0630822 0.1454792 -2.8036126 43 O -2.4924123 -0.2394216 0.1150551 -0.4101435 -2.2855092 0.1871426 0.0630822 0.1454792 -2.8036126 44 O -1.9588143 0.1239686 0.1676012 0.2006807 -2.6890164 0.1890010 0.0392608 0.2404224 -1.7210446 45 O -2.5140982 0.0000000 -0.3670884 -0.0000000 -1.9111302 -0.0000000 -0.2540958 0.0000000 -2.3117862 46 O -2.4654031 0.0000000 -0.4639938 -0.0000000 -2.1543994 -0.0000000 -0.5579169 0.0000000 -2.9935776 47 O -2.5140982 0.0000000 -0.3670884 -0.0000000 -1.9111302 -0.0000000 -0.2540958 0.0000000 -2.3117862 48 O -1.9588143 -0.1239686 0.1676012 -0.2006807 -2.6890164 -0.1890010 0.0392608 -0.2404224 -1.7210446 49 O -2.0412156 0.0000000 -0.2606139 -0.0000000 -1.9073657 -0.0000000 -0.3186528 0.0000000 -2.8063835 50 O -2.4924123 -0.2394216 -0.1150551 -0.4101435 -2.2855092 -0.1871426 -0.0630822 -0.1454792 -2.8036126 51 O -1.9588143 0.1239686 -0.1676012 0.2006807 -2.6890164 -0.1890010 -0.0392608 -0.2404224 -1.7210446 52 O -2.0412156 0.0000000 0.2606139 -0.0000000 -1.9073657 -0.0000000 0.3186528 0.0000000 -2.8063835 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3257 Number of blocks in projector: 3257 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 872 Use submatrix version of eigh solver. (1) Block: 500 / 872 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 872 / 872 (1) 354 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 475 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 475 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 475 Use standard eigh solver. Tree of FC basis block matrices: - (3257, 3195), data: False |-- (475, 465), data: True |-- (475, 465), data: True |-- (475, 465), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (872, 852), data: False |-- (872, 18), data: (872, 38) @ (38, 18) |-- (372, 354), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 800 - Time: 1.084 Solver_block: 200 / 800 - Time: 1.038 Solver_block: 300 / 800 - Time: 1.042 Solver_block: 400 / 800 - Time: 1.042 Solver_block: 500 / 800 - Time: 1.034 Solver_block: 600 / 800 - Time: 1.029 Solver_block: 700 / 800 - Time: 1.042 Solver_block: 800 / 800 - Time: 1.044 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.507 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3257 Number of blocks in projector: 3257 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 872 Use submatrix version of eigh solver. (1) Block: 500 / 872 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 872 / 872 (1) 354 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 475 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 475 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 475 Use standard eigh solver. Tree of FC basis block matrices: - (3257, 3195), data: False |-- (475, 465), data: True |-- (475, 465), data: True |-- (475, 465), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (872, 852), data: False |-- (872, 18), data: (872, 38) @ (38, 18) |-- (372, 354), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 14:36:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:36:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 17.907727160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.439832550000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.724289820000001 Atomic positions (fractional): 1 Nd 0.39719099264463 0.49102679176044 0.02290673594731 144.242 2 Nd 0.71822162140302 0.75000000000000 0.45590360843602 144.242 3 Nd 0.51410411758748 0.75000000000000 0.48077116856259 144.242 4 Nd 0.10280900735536 0.99102679176044 0.52290673594731 144.242 5 Nd 0.78177837859698 0.25000000000000 0.95590360843602 144.242 6 Nd 0.60280900735537 0.50897320823956 0.97709326405269 144.242 7 Nd 0.89719099264463 0.00897320823956 0.47709326405269 144.242 8 Nd 0.60280900735537 0.99102679176044 0.97709326405269 144.242 9 Nd 0.98589588241252 0.25000000000000 0.98077116856259 144.242 10 Nd 0.89719099264463 0.49102679176044 0.47709326405269 144.242 11 Nd 0.01410411758748 0.75000000000000 0.01922883143741 144.242 12 Nd 0.28177837859698 0.25000000000000 0.54409639156398 144.242 13 Nd 0.21822162140302 0.75000000000000 0.04409639156398 144.242 14 Nd 0.39719099264463 0.00897320823956 0.02290673594731 144.242 15 Nd 0.10280900735536 0.50897320823956 0.52290673594731 144.242 16 Nd 0.48589588241252 0.25000000000000 0.51922883143741 144.242 17 Ge 0.30797798111608 0.75000000000000 0.51061391801639 72.640 18 Ge 0.69202201888392 0.25000000000000 0.48938608198361 72.640 19 Ge 0.19202201888392 0.25000000000000 0.01061391801639 72.640 20 Ge 0.80797798111608 0.75000000000000 0.98938608198361 72.640 21 O 0.87420707515013 0.25000000000000 0.22105637553752 15.999 22 O 0.66157285646187 0.25000000000000 0.19481569958464 15.999 23 O 0.11592262976419 0.75000000000000 0.27159278726338 15.999 24 O 0.25449882713051 0.94022625959504 0.42690886758656 15.999 25 O 0.49390356006393 0.98090801402510 0.75806569884922 15.999 26 O 0.61592262976419 0.75000000000000 0.22840721273662 15.999 27 O 0.00609643993607 0.01909198597490 0.25806569884922 15.999 28 O 0.61676965669711 0.25000000000000 0.69437259336699 15.999 29 O 0.37420707515013 0.25000000000000 0.27894362446248 15.999 30 O 0.50609643993607 0.01909198597490 0.24193430115078 15.999 31 O 0.38407737023581 0.25000000000000 0.77159278726338 15.999 32 O 0.75449882713051 0.55977374040496 0.07309113241344 15.999 33 O 0.38323034330289 0.75000000000000 0.30562740663301 15.999 34 O 0.62579292484987 0.75000000000000 0.72105637553752 15.999 35 O 0.74550117286949 0.44022625959504 0.57309113241344 15.999 36 O 0.99390356006393 0.98090801402510 0.74193430115078 15.999 37 O 0.99390356006393 0.51909198597490 0.74193430115078 15.999 38 O 0.25449882713051 0.55977374040496 0.42690886758656 15.999 39 O 0.88407737023581 0.25000000000000 0.72840721273662 15.999 40 O 0.75449882713051 0.94022625959504 0.07309113241344 15.999 41 O 0.83842714353813 0.75000000000000 0.69481569958464 15.999 42 O 0.50609643993607 0.48090801402510 0.24193430115078 15.999 43 O 0.49390356006393 0.51909198597490 0.75806569884922 15.999 44 O 0.24550117286949 0.05977374040496 0.92690886758656 15.999 45 O 0.88323034330289 0.75000000000000 0.19437259336699 15.999 46 O 0.12579292484987 0.75000000000000 0.77894362446248 15.999 47 O 0.11676965669711 0.25000000000000 0.80562740663301 15.999 48 O 0.24550117286949 0.44022625959504 0.92690886758656 15.999 49 O 0.33842714353813 0.75000000000000 0.80518430041536 15.999 50 O 0.00609643993607 0.48090801402510 0.25806569884922 15.999 51 O 0.74550117286949 0.05977374040496 0.57309113241344 15.999 52 O 0.16157285646187 0.25000000000000 0.30518430041536 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.907727160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.439832550000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.448579640000002 Atomic positions (fractional): 1 Nd 0.39719099264463 0.49102679176044 0.01145336797365 144.242 > 1 2 Nd 0.39719099264463 0.49102679176044 0.51145336797365 144.242 > 1 3 Nd 0.71822162140302 0.75000000000000 0.22795180421801 144.242 > 3 4 Nd 0.71822162140302 0.75000000000000 0.72795180421801 144.242 > 3 5 Nd 0.51410411758748 0.75000000000000 0.24038558428129 144.242 > 5 6 Nd 0.51410411758748 0.75000000000000 0.74038558428129 144.242 > 5 7 Nd 0.10280900735536 0.99102679176044 0.26145336797365 144.242 > 7 8 Nd 0.10280900735536 0.99102679176044 0.76145336797365 144.242 > 7 9 Nd 0.78177837859698 0.25000000000000 0.47795180421801 144.242 > 9 10 Nd 0.78177837859698 0.25000000000000 0.97795180421801 144.242 > 9 11 Nd 0.60280900735537 0.50897320823956 0.48854663202635 144.242 > 11 12 Nd 0.60280900735537 0.50897320823956 0.98854663202635 144.242 > 11 13 Nd 0.89719099264463 0.00897320823956 0.23854663202635 144.242 > 13 14 Nd 0.89719099264463 0.00897320823956 0.73854663202635 144.242 > 13 15 Nd 0.60280900735537 0.99102679176044 0.48854663202635 144.242 > 15 16 Nd 0.60280900735537 0.99102679176044 0.98854663202635 144.242 > 15 17 Nd 0.98589588241252 0.25000000000000 0.49038558428129 144.242 > 17 18 Nd 0.98589588241252 0.25000000000000 0.99038558428129 144.242 > 17 19 Nd 0.89719099264463 0.49102679176044 0.23854663202635 144.242 > 19 20 Nd 0.89719099264463 0.49102679176044 0.73854663202635 144.242 > 19 21 Nd 0.01410411758748 0.75000000000000 0.00961441571871 144.242 > 21 22 Nd 0.01410411758748 0.75000000000000 0.50961441571871 144.242 > 21 23 Nd 0.28177837859698 0.25000000000000 0.27204819578199 144.242 > 23 24 Nd 0.28177837859698 0.25000000000000 0.77204819578199 144.242 > 23 25 Nd 0.21822162140302 0.75000000000000 0.02204819578199 144.242 > 25 26 Nd 0.21822162140302 0.75000000000000 0.52204819578199 144.242 > 25 27 Nd 0.39719099264463 0.00897320823956 0.01145336797365 144.242 > 27 28 Nd 0.39719099264463 0.00897320823956 0.51145336797365 144.242 > 27 29 Nd 0.10280900735536 0.50897320823956 0.26145336797365 144.242 > 29 30 Nd 0.10280900735536 0.50897320823956 0.76145336797365 144.242 > 29 31 Nd 0.48589588241252 0.25000000000000 0.25961441571871 144.242 > 31 32 Nd 0.48589588241252 0.25000000000000 0.75961441571871 144.242 > 31 33 Ge 0.30797798111608 0.75000000000000 0.25530695900820 72.640 > 33 34 Ge 0.30797798111608 0.75000000000000 0.75530695900820 72.640 > 33 35 Ge 0.69202201888392 0.25000000000000 0.24469304099180 72.640 > 35 36 Ge 0.69202201888392 0.25000000000000 0.74469304099180 72.640 > 35 37 Ge 0.19202201888392 0.25000000000000 0.00530695900820 72.640 > 37 38 Ge 0.19202201888392 0.25000000000000 0.50530695900820 72.640 > 37 39 Ge 0.80797798111608 0.75000000000000 0.49469304099180 72.640 > 39 40 Ge 0.80797798111608 0.75000000000000 0.99469304099180 72.640 > 39 41 O 0.87420707515013 0.25000000000000 0.11052818776876 15.999 > 41 42 O 0.87420707515013 0.25000000000000 0.61052818776876 15.999 > 41 43 O 0.66157285646187 0.25000000000000 0.09740784979232 15.999 > 43 44 O 0.66157285646187 0.25000000000000 0.59740784979232 15.999 > 43 45 O 0.11592262976419 0.75000000000000 0.13579639363169 15.999 > 45 46 O 0.11592262976419 0.75000000000000 0.63579639363169 15.999 > 45 47 O 0.25449882713051 0.94022625959504 0.21345443379328 15.999 > 47 48 O 0.25449882713051 0.94022625959504 0.71345443379328 15.999 > 47 49 O 0.49390356006393 0.98090801402510 0.37903284942461 15.999 > 49 50 O 0.49390356006393 0.98090801402510 0.87903284942461 15.999 > 49 51 O 0.61592262976419 0.75000000000000 0.11420360636831 15.999 > 51 52 O 0.61592262976419 0.75000000000000 0.61420360636831 15.999 > 51 53 O 0.00609643993607 0.01909198597490 0.12903284942461 15.999 > 53 54 O 0.00609643993607 0.01909198597490 0.62903284942461 15.999 > 53 55 O 0.61676965669711 0.25000000000000 0.34718629668349 15.999 > 55 56 O 0.61676965669711 0.25000000000000 0.84718629668349 15.999 > 55 57 O 0.37420707515013 0.25000000000000 0.13947181223124 15.999 > 57 58 O 0.37420707515013 0.25000000000000 0.63947181223124 15.999 > 57 59 O 0.50609643993607 0.01909198597490 0.12096715057539 15.999 > 59 60 O 0.50609643993607 0.01909198597490 0.62096715057539 15.999 > 59 61 O 0.38407737023581 0.25000000000000 0.38579639363169 15.999 > 61 62 O 0.38407737023581 0.25000000000000 0.88579639363169 15.999 > 61 63 O 0.75449882713051 0.55977374040496 0.03654556620672 15.999 > 63 64 O 0.75449882713051 0.55977374040496 0.53654556620672 15.999 > 63 65 O 0.38323034330289 0.75000000000000 0.15281370331651 15.999 > 65 66 O 0.38323034330289 0.75000000000000 0.65281370331651 15.999 > 65 67 O 0.62579292484987 0.75000000000000 0.36052818776876 15.999 > 67 68 O 0.62579292484987 0.75000000000000 0.86052818776876 15.999 > 67 69 O 0.74550117286949 0.44022625959504 0.28654556620672 15.999 > 69 70 O 0.74550117286949 0.44022625959504 0.78654556620672 15.999 > 69 71 O 0.99390356006393 0.98090801402510 0.37096715057539 15.999 > 71 72 O 0.99390356006393 0.98090801402510 0.87096715057539 15.999 > 71 73 O 0.99390356006393 0.51909198597490 0.37096715057539 15.999 > 73 74 O 0.99390356006393 0.51909198597490 0.87096715057539 15.999 > 73 75 O 0.25449882713051 0.55977374040496 0.21345443379328 15.999 > 75 76 O 0.25449882713051 0.55977374040496 0.71345443379328 15.999 > 75 77 O 0.88407737023581 0.25000000000000 0.36420360636831 15.999 > 77 78 O 0.88407737023581 0.25000000000000 0.86420360636831 15.999 > 77 79 O 0.75449882713051 0.94022625959504 0.03654556620672 15.999 > 79 80 O 0.75449882713051 0.94022625959504 0.53654556620672 15.999 > 79 81 O 0.83842714353813 0.75000000000000 0.34740784979232 15.999 > 81 82 O 0.83842714353813 0.75000000000000 0.84740784979232 15.999 > 81 83 O 0.50609643993607 0.48090801402510 0.12096715057539 15.999 > 83 84 O 0.50609643993607 0.48090801402510 0.62096715057539 15.999 > 83 85 O 0.49390356006393 0.51909198597490 0.37903284942461 15.999 > 85 86 O 0.49390356006393 0.51909198597490 0.87903284942461 15.999 > 85 87 O 0.24550117286949 0.05977374040496 0.46345443379328 15.999 > 87 88 O 0.24550117286949 0.05977374040496 0.96345443379328 15.999 > 87 89 O 0.88323034330289 0.75000000000000 0.09718629668349 15.999 > 89 90 O 0.88323034330289 0.75000000000000 0.59718629668349 15.999 > 89 91 O 0.12579292484987 0.75000000000000 0.38947181223124 15.999 > 91 92 O 0.12579292484987 0.75000000000000 0.88947181223124 15.999 > 91 93 O 0.11676965669711 0.25000000000000 0.40281370331651 15.999 > 93 94 O 0.11676965669711 0.25000000000000 0.90281370331651 15.999 > 93 95 O 0.24550117286949 0.44022625959504 0.46345443379328 15.999 > 95 96 O 0.24550117286949 0.44022625959504 0.96345443379328 15.999 > 95 97 O 0.33842714353813 0.75000000000000 0.40259215020768 15.999 > 97 98 O 0.33842714353813 0.75000000000000 0.90259215020768 15.999 > 97 99 O 0.00609643993607 0.48090801402510 0.12903284942461 15.999 > 99 100 O 0.00609643993607 0.48090801402510 0.62903284942461 15.999 > 99 101 O 0.74550117286949 0.05977374040496 0.28654556620672 15.999 > 101 102 O 0.74550117286949 0.05977374040496 0.78654556620672 15.999 > 101 103 O 0.16157285646187 0.25000000000000 0.15259215020768 15.999 > 103 104 O 0.16157285646187 0.25000000000000 0.65259215020768 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2961705 0.0000000 0.0000000 0.0000000 4.1943508 0.0000000 0.0000000 0.0000000 4.5184703 -------------------------- Born effective charges -------------------------- 1 Nd 3.8466368 0.0578313 -0.0069704 0.2808925 3.6873052 0.0992873 0.1049986 -0.0462469 4.0722476 2 Nd 4.2090121 0.0000000 -0.1532555 -0.0000000 3.6775020 -0.0000000 0.0767141 0.0000000 4.2449200 3 Nd 3.4111526 0.0000000 0.0998358 -0.0000000 4.0802255 -0.0000000 -0.0021929 0.0000000 4.1640013 4 Nd 3.8466368 -0.0578313 0.0069704 -0.2808925 3.6873052 0.0992873 -0.1049986 -0.0462469 4.0722476 5 Nd 4.2090121 0.0000000 0.1532555 -0.0000000 3.6775020 -0.0000000 -0.0767141 0.0000000 4.2449200 6 Nd 3.8466368 0.0578313 -0.0069704 0.2808925 3.6873052 0.0992873 0.1049986 -0.0462469 4.0722476 7 Nd 3.8466368 -0.0578313 0.0069704 -0.2808925 3.6873052 0.0992873 -0.1049986 -0.0462469 4.0722476 8 Nd 3.8466368 -0.0578313 -0.0069704 -0.2808925 3.6873052 -0.0992873 0.1049986 0.0462469 4.0722476 9 Nd 3.4111526 0.0000000 -0.0998358 -0.0000000 4.0802255 -0.0000000 0.0021929 0.0000000 4.1640013 10 Nd 3.8466368 0.0578313 0.0069704 0.2808925 3.6873052 -0.0992873 -0.1049986 0.0462469 4.0722476 11 Nd 3.4111526 0.0000000 -0.0998358 -0.0000000 4.0802255 -0.0000000 0.0021929 0.0000000 4.1640013 12 Nd 4.2090121 0.0000000 -0.1532555 -0.0000000 3.6775020 -0.0000000 0.0767141 0.0000000 4.2449200 13 Nd 4.2090121 0.0000000 0.1532555 -0.0000000 3.6775020 -0.0000000 -0.0767141 0.0000000 4.2449200 14 Nd 3.8466368 -0.0578313 -0.0069704 -0.2808925 3.6873052 -0.0992873 0.1049986 0.0462469 4.0722476 15 Nd 3.8466368 0.0578313 0.0069704 0.2808925 3.6873052 -0.0992873 -0.1049986 0.0462469 4.0722476 16 Nd 3.4111526 0.0000000 0.0998358 -0.0000000 4.0802255 -0.0000000 -0.0021929 0.0000000 4.1640013 17 Ge 3.1463475 0.0000000 -0.0353992 -0.0000000 3.0424089 -0.0000000 -0.0528127 0.0000000 3.5092810 18 Ge 3.1463475 0.0000000 -0.0353992 -0.0000000 3.0424089 -0.0000000 -0.0528127 0.0000000 3.5092810 19 Ge 3.1463475 0.0000000 0.0353992 -0.0000000 3.0424089 -0.0000000 0.0528127 0.0000000 3.5092810 20 Ge 3.1463475 0.0000000 0.0353992 -0.0000000 3.0424089 -0.0000000 0.0528127 0.0000000 3.5092810 21 O -2.4654031 0.0000000 -0.4639938 -0.0000000 -2.1543994 -0.0000000 -0.5579169 0.0000000 -2.9935776 22 O -2.0412156 0.0000000 -0.2606139 -0.0000000 -1.9073657 -0.0000000 -0.3186528 0.0000000 -2.8063835 23 O -2.5366154 0.0000000 0.2497637 -0.0000000 -2.2528002 -0.0000000 0.2858813 0.0000000 -2.9016359 24 O -1.9588143 0.1239686 -0.1676012 0.2006807 -2.6890164 -0.1890010 -0.0392608 -0.2404224 -1.7210446 25 O -2.4924123 0.2394216 0.1150551 0.4101435 -2.2855092 -0.1871426 0.0630822 -0.1454792 -2.8036126 26 O -2.5366154 0.0000000 -0.2497637 -0.0000000 -2.2528002 -0.0000000 -0.2858813 0.0000000 -2.9016359 27 O -2.4924123 0.2394216 -0.1150551 0.4101435 -2.2855092 0.1871426 -0.0630822 0.1454792 -2.8036126 28 O -2.5140982 0.0000000 0.3670884 -0.0000000 -1.9111302 -0.0000000 0.2540958 0.0000000 -2.3117862 29 O -2.4654031 0.0000000 0.4639938 -0.0000000 -2.1543994 -0.0000000 0.5579169 0.0000000 -2.9935776 30 O -2.4924123 0.2394216 0.1150551 0.4101435 -2.2855092 -0.1871426 0.0630822 -0.1454792 -2.8036126 31 O -2.5366154 0.0000000 -0.2497637 -0.0000000 -2.2528002 -0.0000000 -0.2858813 0.0000000 -2.9016359 32 O -1.9588143 -0.1239686 0.1676012 -0.2006807 -2.6890164 -0.1890010 0.0392608 -0.2404224 -1.7210446 33 O -2.5140982 0.0000000 0.3670884 -0.0000000 -1.9111302 -0.0000000 0.2540958 0.0000000 -2.3117862 34 O -2.4654031 0.0000000 0.4639938 -0.0000000 -2.1543994 -0.0000000 0.5579169 0.0000000 -2.9935776 35 O -1.9588143 -0.1239686 -0.1676012 -0.2006807 -2.6890164 0.1890010 -0.0392608 0.2404224 -1.7210446 36 O -2.4924123 0.2394216 -0.1150551 0.4101435 -2.2855092 0.1871426 -0.0630822 0.1454792 -2.8036126 37 O -2.4924123 -0.2394216 -0.1150551 -0.4101435 -2.2855092 -0.1871426 -0.0630822 -0.1454792 -2.8036126 38 O -1.9588143 -0.1239686 -0.1676012 -0.2006807 -2.6890164 0.1890010 -0.0392608 0.2404224 -1.7210446 39 O -2.5366154 0.0000000 0.2497637 -0.0000000 -2.2528002 -0.0000000 0.2858813 0.0000000 -2.9016359 40 O -1.9588143 0.1239686 0.1676012 0.2006807 -2.6890164 0.1890010 0.0392608 0.2404224 -1.7210446 41 O -2.0412156 0.0000000 0.2606139 -0.0000000 -1.9073657 -0.0000000 0.3186528 0.0000000 -2.8063835 42 O -2.4924123 -0.2394216 0.1150551 -0.4101435 -2.2855092 0.1871426 0.0630822 0.1454792 -2.8036126 43 O -2.4924123 -0.2394216 0.1150551 -0.4101435 -2.2855092 0.1871426 0.0630822 0.1454792 -2.8036126 44 O -1.9588143 0.1239686 0.1676012 0.2006807 -2.6890164 0.1890010 0.0392608 0.2404224 -1.7210446 45 O -2.5140982 0.0000000 -0.3670884 -0.0000000 -1.9111302 -0.0000000 -0.2540958 0.0000000 -2.3117862 46 O -2.4654031 0.0000000 -0.4639938 -0.0000000 -2.1543994 -0.0000000 -0.5579169 0.0000000 -2.9935776 47 O -2.5140982 0.0000000 -0.3670884 -0.0000000 -1.9111302 -0.0000000 -0.2540958 0.0000000 -2.3117862 48 O -1.9588143 -0.1239686 0.1676012 -0.2006807 -2.6890164 -0.1890010 0.0392608 -0.2404224 -1.7210446 49 O -2.0412156 0.0000000 -0.2606139 -0.0000000 -1.9073657 -0.0000000 -0.3186528 0.0000000 -2.8063835 50 O -2.4924123 -0.2394216 -0.1150551 -0.4101435 -2.2855092 -0.1871426 -0.0630822 -0.1454792 -2.8036126 51 O -1.9588143 0.1239686 -0.1676012 0.2006807 -2.6890164 -0.1890010 -0.0392608 -0.2404224 -1.7210446 52 O -2.0412156 0.0000000 0.2606139 -0.0000000 -1.9073657 -0.0000000 0.3186528 0.0000000 -2.8063835 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:37:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:37:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 17.907727160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.439832550000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.724289820000001 Atomic positions (fractional): 1 Nd 0.39719099264463 0.49102679176044 0.02290673594731 144.242 2 Nd 0.71822162140302 0.75000000000000 0.45590360843602 144.242 3 Nd 0.51410411758748 0.75000000000000 0.48077116856259 144.242 4 Nd 0.10280900735536 0.99102679176044 0.52290673594731 144.242 5 Nd 0.78177837859698 0.25000000000000 0.95590360843602 144.242 6 Nd 0.60280900735537 0.50897320823956 0.97709326405269 144.242 7 Nd 0.89719099264463 0.00897320823956 0.47709326405269 144.242 8 Nd 0.60280900735537 0.99102679176044 0.97709326405269 144.242 9 Nd 0.98589588241252 0.25000000000000 0.98077116856259 144.242 10 Nd 0.89719099264463 0.49102679176044 0.47709326405269 144.242 11 Nd 0.01410411758748 0.75000000000000 0.01922883143741 144.242 12 Nd 0.28177837859698 0.25000000000000 0.54409639156398 144.242 13 Nd 0.21822162140302 0.75000000000000 0.04409639156398 144.242 14 Nd 0.39719099264463 0.00897320823956 0.02290673594731 144.242 15 Nd 0.10280900735536 0.50897320823956 0.52290673594731 144.242 16 Nd 0.48589588241252 0.25000000000000 0.51922883143741 144.242 17 Ge 0.30797798111608 0.75000000000000 0.51061391801639 72.640 18 Ge 0.69202201888392 0.25000000000000 0.48938608198361 72.640 19 Ge 0.19202201888392 0.25000000000000 0.01061391801639 72.640 20 Ge 0.80797798111608 0.75000000000000 0.98938608198361 72.640 21 O 0.87420707515013 0.25000000000000 0.22105637553752 15.999 22 O 0.66157285646187 0.25000000000000 0.19481569958464 15.999 23 O 0.11592262976419 0.75000000000000 0.27159278726338 15.999 24 O 0.25449882713051 0.94022625959504 0.42690886758656 15.999 25 O 0.49390356006393 0.98090801402510 0.75806569884922 15.999 26 O 0.61592262976419 0.75000000000000 0.22840721273662 15.999 27 O 0.00609643993607 0.01909198597490 0.25806569884922 15.999 28 O 0.61676965669711 0.25000000000000 0.69437259336699 15.999 29 O 0.37420707515013 0.25000000000000 0.27894362446248 15.999 30 O 0.50609643993607 0.01909198597490 0.24193430115078 15.999 31 O 0.38407737023581 0.25000000000000 0.77159278726338 15.999 32 O 0.75449882713051 0.55977374040496 0.07309113241344 15.999 33 O 0.38323034330289 0.75000000000000 0.30562740663301 15.999 34 O 0.62579292484987 0.75000000000000 0.72105637553752 15.999 35 O 0.74550117286949 0.44022625959504 0.57309113241344 15.999 36 O 0.99390356006393 0.98090801402510 0.74193430115078 15.999 37 O 0.99390356006393 0.51909198597490 0.74193430115078 15.999 38 O 0.25449882713051 0.55977374040496 0.42690886758656 15.999 39 O 0.88407737023581 0.25000000000000 0.72840721273662 15.999 40 O 0.75449882713051 0.94022625959504 0.07309113241344 15.999 41 O 0.83842714353813 0.75000000000000 0.69481569958464 15.999 42 O 0.50609643993607 0.48090801402510 0.24193430115078 15.999 43 O 0.49390356006393 0.51909198597490 0.75806569884922 15.999 44 O 0.24550117286949 0.05977374040496 0.92690886758656 15.999 45 O 0.88323034330289 0.75000000000000 0.19437259336699 15.999 46 O 0.12579292484987 0.75000000000000 0.77894362446248 15.999 47 O 0.11676965669711 0.25000000000000 0.80562740663301 15.999 48 O 0.24550117286949 0.44022625959504 0.92690886758656 15.999 49 O 0.33842714353813 0.75000000000000 0.80518430041536 15.999 50 O 0.00609643993607 0.48090801402510 0.25806569884922 15.999 51 O 0.74550117286949 0.05977374040496 0.57309113241344 15.999 52 O 0.16157285646187 0.25000000000000 0.30518430041536 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.907727160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.439832550000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.448579640000002 Atomic positions (fractional): 1 Nd 0.39719099264463 0.49102679176044 0.01145336797365 144.242 > 1 2 Nd 0.39719099264463 0.49102679176044 0.51145336797365 144.242 > 1 3 Nd 0.71822162140302 0.75000000000000 0.22795180421801 144.242 > 3 4 Nd 0.71822162140302 0.75000000000000 0.72795180421801 144.242 > 3 5 Nd 0.51410411758748 0.75000000000000 0.24038558428129 144.242 > 5 6 Nd 0.51410411758748 0.75000000000000 0.74038558428129 144.242 > 5 7 Nd 0.10280900735536 0.99102679176044 0.26145336797365 144.242 > 7 8 Nd 0.10280900735536 0.99102679176044 0.76145336797365 144.242 > 7 9 Nd 0.78177837859698 0.25000000000000 0.47795180421801 144.242 > 9 10 Nd 0.78177837859698 0.25000000000000 0.97795180421801 144.242 > 9 11 Nd 0.60280900735537 0.50897320823956 0.48854663202635 144.242 > 11 12 Nd 0.60280900735537 0.50897320823956 0.98854663202635 144.242 > 11 13 Nd 0.89719099264463 0.00897320823956 0.23854663202635 144.242 > 13 14 Nd 0.89719099264463 0.00897320823956 0.73854663202635 144.242 > 13 15 Nd 0.60280900735537 0.99102679176044 0.48854663202635 144.242 > 15 16 Nd 0.60280900735537 0.99102679176044 0.98854663202635 144.242 > 15 17 Nd 0.98589588241252 0.25000000000000 0.49038558428129 144.242 > 17 18 Nd 0.98589588241252 0.25000000000000 0.99038558428129 144.242 > 17 19 Nd 0.89719099264463 0.49102679176044 0.23854663202635 144.242 > 19 20 Nd 0.89719099264463 0.49102679176044 0.73854663202635 144.242 > 19 21 Nd 0.01410411758748 0.75000000000000 0.00961441571871 144.242 > 21 22 Nd 0.01410411758748 0.75000000000000 0.50961441571871 144.242 > 21 23 Nd 0.28177837859698 0.25000000000000 0.27204819578199 144.242 > 23 24 Nd 0.28177837859698 0.25000000000000 0.77204819578199 144.242 > 23 25 Nd 0.21822162140302 0.75000000000000 0.02204819578199 144.242 > 25 26 Nd 0.21822162140302 0.75000000000000 0.52204819578199 144.242 > 25 27 Nd 0.39719099264463 0.00897320823956 0.01145336797365 144.242 > 27 28 Nd 0.39719099264463 0.00897320823956 0.51145336797365 144.242 > 27 29 Nd 0.10280900735536 0.50897320823956 0.26145336797365 144.242 > 29 30 Nd 0.10280900735536 0.50897320823956 0.76145336797365 144.242 > 29 31 Nd 0.48589588241252 0.25000000000000 0.25961441571871 144.242 > 31 32 Nd 0.48589588241252 0.25000000000000 0.75961441571871 144.242 > 31 33 Ge 0.30797798111608 0.75000000000000 0.25530695900820 72.640 > 33 34 Ge 0.30797798111608 0.75000000000000 0.75530695900820 72.640 > 33 35 Ge 0.69202201888392 0.25000000000000 0.24469304099180 72.640 > 35 36 Ge 0.69202201888392 0.25000000000000 0.74469304099180 72.640 > 35 37 Ge 0.19202201888392 0.25000000000000 0.00530695900820 72.640 > 37 38 Ge 0.19202201888392 0.25000000000000 0.50530695900820 72.640 > 37 39 Ge 0.80797798111608 0.75000000000000 0.49469304099180 72.640 > 39 40 Ge 0.80797798111608 0.75000000000000 0.99469304099180 72.640 > 39 41 O 0.87420707515013 0.25000000000000 0.11052818776876 15.999 > 41 42 O 0.87420707515013 0.25000000000000 0.61052818776876 15.999 > 41 43 O 0.66157285646187 0.25000000000000 0.09740784979232 15.999 > 43 44 O 0.66157285646187 0.25000000000000 0.59740784979232 15.999 > 43 45 O 0.11592262976419 0.75000000000000 0.13579639363169 15.999 > 45 46 O 0.11592262976419 0.75000000000000 0.63579639363169 15.999 > 45 47 O 0.25449882713051 0.94022625959504 0.21345443379328 15.999 > 47 48 O 0.25449882713051 0.94022625959504 0.71345443379328 15.999 > 47 49 O 0.49390356006393 0.98090801402510 0.37903284942461 15.999 > 49 50 O 0.49390356006393 0.98090801402510 0.87903284942461 15.999 > 49 51 O 0.61592262976419 0.75000000000000 0.11420360636831 15.999 > 51 52 O 0.61592262976419 0.75000000000000 0.61420360636831 15.999 > 51 53 O 0.00609643993607 0.01909198597490 0.12903284942461 15.999 > 53 54 O 0.00609643993607 0.01909198597490 0.62903284942461 15.999 > 53 55 O 0.61676965669711 0.25000000000000 0.34718629668349 15.999 > 55 56 O 0.61676965669711 0.25000000000000 0.84718629668349 15.999 > 55 57 O 0.37420707515013 0.25000000000000 0.13947181223124 15.999 > 57 58 O 0.37420707515013 0.25000000000000 0.63947181223124 15.999 > 57 59 O 0.50609643993607 0.01909198597490 0.12096715057539 15.999 > 59 60 O 0.50609643993607 0.01909198597490 0.62096715057539 15.999 > 59 61 O 0.38407737023581 0.25000000000000 0.38579639363169 15.999 > 61 62 O 0.38407737023581 0.25000000000000 0.88579639363169 15.999 > 61 63 O 0.75449882713051 0.55977374040496 0.03654556620672 15.999 > 63 64 O 0.75449882713051 0.55977374040496 0.53654556620672 15.999 > 63 65 O 0.38323034330289 0.75000000000000 0.15281370331651 15.999 > 65 66 O 0.38323034330289 0.75000000000000 0.65281370331651 15.999 > 65 67 O 0.62579292484987 0.75000000000000 0.36052818776876 15.999 > 67 68 O 0.62579292484987 0.75000000000000 0.86052818776876 15.999 > 67 69 O 0.74550117286949 0.44022625959504 0.28654556620672 15.999 > 69 70 O 0.74550117286949 0.44022625959504 0.78654556620672 15.999 > 69 71 O 0.99390356006393 0.98090801402510 0.37096715057539 15.999 > 71 72 O 0.99390356006393 0.98090801402510 0.87096715057539 15.999 > 71 73 O 0.99390356006393 0.51909198597490 0.37096715057539 15.999 > 73 74 O 0.99390356006393 0.51909198597490 0.87096715057539 15.999 > 73 75 O 0.25449882713051 0.55977374040496 0.21345443379328 15.999 > 75 76 O 0.25449882713051 0.55977374040496 0.71345443379328 15.999 > 75 77 O 0.88407737023581 0.25000000000000 0.36420360636831 15.999 > 77 78 O 0.88407737023581 0.25000000000000 0.86420360636831 15.999 > 77 79 O 0.75449882713051 0.94022625959504 0.03654556620672 15.999 > 79 80 O 0.75449882713051 0.94022625959504 0.53654556620672 15.999 > 79 81 O 0.83842714353813 0.75000000000000 0.34740784979232 15.999 > 81 82 O 0.83842714353813 0.75000000000000 0.84740784979232 15.999 > 81 83 O 0.50609643993607 0.48090801402510 0.12096715057539 15.999 > 83 84 O 0.50609643993607 0.48090801402510 0.62096715057539 15.999 > 83 85 O 0.49390356006393 0.51909198597490 0.37903284942461 15.999 > 85 86 O 0.49390356006393 0.51909198597490 0.87903284942461 15.999 > 85 87 O 0.24550117286949 0.05977374040496 0.46345443379328 15.999 > 87 88 O 0.24550117286949 0.05977374040496 0.96345443379328 15.999 > 87 89 O 0.88323034330289 0.75000000000000 0.09718629668349 15.999 > 89 90 O 0.88323034330289 0.75000000000000 0.59718629668349 15.999 > 89 91 O 0.12579292484987 0.75000000000000 0.38947181223124 15.999 > 91 92 O 0.12579292484987 0.75000000000000 0.88947181223124 15.999 > 91 93 O 0.11676965669711 0.25000000000000 0.40281370331651 15.999 > 93 94 O 0.11676965669711 0.25000000000000 0.90281370331651 15.999 > 93 95 O 0.24550117286949 0.44022625959504 0.46345443379328 15.999 > 95 96 O 0.24550117286949 0.44022625959504 0.96345443379328 15.999 > 95 97 O 0.33842714353813 0.75000000000000 0.40259215020768 15.999 > 97 98 O 0.33842714353813 0.75000000000000 0.90259215020768 15.999 > 97 99 O 0.00609643993607 0.48090801402510 0.12903284942461 15.999 > 99 100 O 0.00609643993607 0.48090801402510 0.62903284942461 15.999 > 99 101 O 0.74550117286949 0.05977374040496 0.28654556620672 15.999 > 101 102 O 0.74550117286949 0.05977374040496 0.78654556620672 15.999 > 101 103 O 0.16157285646187 0.25000000000000 0.15259215020768 15.999 > 103 104 O 0.16157285646187 0.25000000000000 0.65259215020768 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2961705 0.0000000 0.0000000 0.0000000 4.1943508 0.0000000 0.0000000 0.0000000 4.5184703 -------------------------- Born effective charges -------------------------- 1 Nd 3.8466368 0.0578313 -0.0069704 0.2808925 3.6873052 0.0992873 0.1049986 -0.0462469 4.0722476 2 Nd 4.2090121 0.0000000 -0.1532555 -0.0000000 3.6775020 -0.0000000 0.0767141 0.0000000 4.2449200 3 Nd 3.4111526 0.0000000 0.0998358 -0.0000000 4.0802255 -0.0000000 -0.0021929 0.0000000 4.1640013 4 Nd 3.8466368 -0.0578313 0.0069704 -0.2808925 3.6873052 0.0992873 -0.1049986 -0.0462469 4.0722476 5 Nd 4.2090121 0.0000000 0.1532555 -0.0000000 3.6775020 -0.0000000 -0.0767141 0.0000000 4.2449200 6 Nd 3.8466368 0.0578313 -0.0069704 0.2808925 3.6873052 0.0992873 0.1049986 -0.0462469 4.0722476 7 Nd 3.8466368 -0.0578313 0.0069704 -0.2808925 3.6873052 0.0992873 -0.1049986 -0.0462469 4.0722476 8 Nd 3.8466368 -0.0578313 -0.0069704 -0.2808925 3.6873052 -0.0992873 0.1049986 0.0462469 4.0722476 9 Nd 3.4111526 0.0000000 -0.0998358 -0.0000000 4.0802255 -0.0000000 0.0021929 0.0000000 4.1640013 10 Nd 3.8466368 0.0578313 0.0069704 0.2808925 3.6873052 -0.0992873 -0.1049986 0.0462469 4.0722476 11 Nd 3.4111526 0.0000000 -0.0998358 -0.0000000 4.0802255 -0.0000000 0.0021929 0.0000000 4.1640013 12 Nd 4.2090121 0.0000000 -0.1532555 -0.0000000 3.6775020 -0.0000000 0.0767141 0.0000000 4.2449200 13 Nd 4.2090121 0.0000000 0.1532555 -0.0000000 3.6775020 -0.0000000 -0.0767141 0.0000000 4.2449200 14 Nd 3.8466368 -0.0578313 -0.0069704 -0.2808925 3.6873052 -0.0992873 0.1049986 0.0462469 4.0722476 15 Nd 3.8466368 0.0578313 0.0069704 0.2808925 3.6873052 -0.0992873 -0.1049986 0.0462469 4.0722476 16 Nd 3.4111526 0.0000000 0.0998358 -0.0000000 4.0802255 -0.0000000 -0.0021929 0.0000000 4.1640013 17 Ge 3.1463475 0.0000000 -0.0353992 -0.0000000 3.0424089 -0.0000000 -0.0528127 0.0000000 3.5092810 18 Ge 3.1463475 0.0000000 -0.0353992 -0.0000000 3.0424089 -0.0000000 -0.0528127 0.0000000 3.5092810 19 Ge 3.1463475 0.0000000 0.0353992 -0.0000000 3.0424089 -0.0000000 0.0528127 0.0000000 3.5092810 20 Ge 3.1463475 0.0000000 0.0353992 -0.0000000 3.0424089 -0.0000000 0.0528127 0.0000000 3.5092810 21 O -2.4654031 0.0000000 -0.4639938 -0.0000000 -2.1543994 -0.0000000 -0.5579169 0.0000000 -2.9935776 22 O -2.0412156 0.0000000 -0.2606139 -0.0000000 -1.9073657 -0.0000000 -0.3186528 0.0000000 -2.8063835 23 O -2.5366154 0.0000000 0.2497637 -0.0000000 -2.2528002 -0.0000000 0.2858813 0.0000000 -2.9016359 24 O -1.9588143 0.1239686 -0.1676012 0.2006807 -2.6890164 -0.1890010 -0.0392608 -0.2404224 -1.7210446 25 O -2.4924123 0.2394216 0.1150551 0.4101435 -2.2855092 -0.1871426 0.0630822 -0.1454792 -2.8036126 26 O -2.5366154 0.0000000 -0.2497637 -0.0000000 -2.2528002 -0.0000000 -0.2858813 0.0000000 -2.9016359 27 O -2.4924123 0.2394216 -0.1150551 0.4101435 -2.2855092 0.1871426 -0.0630822 0.1454792 -2.8036126 28 O -2.5140982 0.0000000 0.3670884 -0.0000000 -1.9111302 -0.0000000 0.2540958 0.0000000 -2.3117862 29 O -2.4654031 0.0000000 0.4639938 -0.0000000 -2.1543994 -0.0000000 0.5579169 0.0000000 -2.9935776 30 O -2.4924123 0.2394216 0.1150551 0.4101435 -2.2855092 -0.1871426 0.0630822 -0.1454792 -2.8036126 31 O -2.5366154 0.0000000 -0.2497637 -0.0000000 -2.2528002 -0.0000000 -0.2858813 0.0000000 -2.9016359 32 O -1.9588143 -0.1239686 0.1676012 -0.2006807 -2.6890164 -0.1890010 0.0392608 -0.2404224 -1.7210446 33 O -2.5140982 0.0000000 0.3670884 -0.0000000 -1.9111302 -0.0000000 0.2540958 0.0000000 -2.3117862 34 O -2.4654031 0.0000000 0.4639938 -0.0000000 -2.1543994 -0.0000000 0.5579169 0.0000000 -2.9935776 35 O -1.9588143 -0.1239686 -0.1676012 -0.2006807 -2.6890164 0.1890010 -0.0392608 0.2404224 -1.7210446 36 O -2.4924123 0.2394216 -0.1150551 0.4101435 -2.2855092 0.1871426 -0.0630822 0.1454792 -2.8036126 37 O -2.4924123 -0.2394216 -0.1150551 -0.4101435 -2.2855092 -0.1871426 -0.0630822 -0.1454792 -2.8036126 38 O -1.9588143 -0.1239686 -0.1676012 -0.2006807 -2.6890164 0.1890010 -0.0392608 0.2404224 -1.7210446 39 O -2.5366154 0.0000000 0.2497637 -0.0000000 -2.2528002 -0.0000000 0.2858813 0.0000000 -2.9016359 40 O -1.9588143 0.1239686 0.1676012 0.2006807 -2.6890164 0.1890010 0.0392608 0.2404224 -1.7210446 41 O -2.0412156 0.0000000 0.2606139 -0.0000000 -1.9073657 -0.0000000 0.3186528 0.0000000 -2.8063835 42 O -2.4924123 -0.2394216 0.1150551 -0.4101435 -2.2855092 0.1871426 0.0630822 0.1454792 -2.8036126 43 O -2.4924123 -0.2394216 0.1150551 -0.4101435 -2.2855092 0.1871426 0.0630822 0.1454792 -2.8036126 44 O -1.9588143 0.1239686 0.1676012 0.2006807 -2.6890164 0.1890010 0.0392608 0.2404224 -1.7210446 45 O -2.5140982 0.0000000 -0.3670884 -0.0000000 -1.9111302 -0.0000000 -0.2540958 0.0000000 -2.3117862 46 O -2.4654031 0.0000000 -0.4639938 -0.0000000 -2.1543994 -0.0000000 -0.5579169 0.0000000 -2.9935776 47 O -2.5140982 0.0000000 -0.3670884 -0.0000000 -1.9111302 -0.0000000 -0.2540958 0.0000000 -2.3117862 48 O -1.9588143 -0.1239686 0.1676012 -0.2006807 -2.6890164 -0.1890010 0.0392608 -0.2404224 -1.7210446 49 O -2.0412156 0.0000000 -0.2606139 -0.0000000 -1.9073657 -0.0000000 -0.3186528 0.0000000 -2.8063835 50 O -2.4924123 -0.2394216 -0.1150551 -0.4101435 -2.2855092 -0.1871426 -0.0630822 -0.1454792 -2.8036126 51 O -1.9588143 0.1239686 -0.1676012 0.2006807 -2.6890164 -0.1890010 -0.0392608 -0.2404224 -1.7210446 52 O -2.0412156 0.0000000 0.2606139 -0.0000000 -1.9073657 -0.0000000 0.3186528 0.0000000 -2.8063835 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 3 7 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 8.009 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.082 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.211 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 9.939 ( 0.000 0.000 0.000) 0.000 9.942 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.230 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.299 ( 0.000 0.000 0.000) 0.000 10.351 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.935 ( 0.000 0.000 0.000) 0.000 10.967 ( 0.000 0.000 0.000) 0.000 11.053 ( 0.000 0.000 0.000) 0.000 11.136 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 0.000 0.000) 0.000 11.433 ( 0.000 0.000 0.000) 0.000 11.537 ( 0.000 0.000 0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.655 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.425 ( 0.000 0.000 0.000) 0.000 12.829 ( 0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 13.157 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.000 0.000 0.000) 0.000 13.541 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 13.550 ( 0.000 0.000 0.000) 0.000 14.349 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.938 ( 0.000 0.000 0.000) 0.000 15.468 ( 0.000 0.000 0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 15.638 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 15.859 ( 0.000 0.000 0.000) 0.000 15.920 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.386 ( 0.000 0.000 0.000) 0.000 16.518 ( 0.000 0.000 0.000) 0.000 16.943 ( 0.000 0.000 0.000) 0.000 17.023 ( 0.000 0.000 0.000) 0.000 17.029 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 19.287 ( 0.000 0.000 0.000) 0.000 19.489 ( 0.000 0.000 0.000) 0.000 19.515 ( 0.000 0.000 0.000) 0.000 19.567 ( 0.000 0.000 0.000) 0.000 19.675 ( 0.000 0.000 0.000) 0.000 19.684 ( 0.000 0.000 0.000) 0.000 20.046 ( 0.000 0.000 0.000) 0.000 20.062 ( 0.000 0.000 0.000) 0.000 20.464 ( 0.000 0.000 0.000) 0.000 20.490 ( 0.000 0.000 0.000) 0.000 20.617 ( 0.000 0.000 0.000) 0.000 21.218 ( 0.000 0.000 0.000) 0.000 21.301 ( 0.000 0.000 0.000) 0.000 21.306 ( 0.000 0.000 0.000) 0.000 21.632 ( 0.000 0.000 0.000) 0.000 21.786 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 27.614 0.000 0.000) 27.614 0.523 ( 27.853 0.000 0.000) 27.853 0.814 ( 41.856 0.000 0.000) 41.856 1.029 ( -26.053 0.000 0.000) 26.053 1.029 ( -26.639 0.000 0.000) 26.639 1.539 ( -33.097 0.000 0.000) 33.097 1.898 ( 7.822 0.000 0.000) 7.822 1.979 ( -2.991 0.000 0.000) 2.991 2.025 ( 24.645 0.000 0.000) 24.645 2.147 ( 14.569 0.000 0.000) 14.569 2.444 ( -12.563 0.000 0.000) 12.563 2.460 ( -21.649 0.000 0.000) 21.649 2.724 ( 9.683 0.000 0.000) 9.683 2.785 ( 8.288 0.000 0.000) 8.288 2.919 ( -7.661 0.000 0.000) 7.661 3.017 ( -13.564 0.000 0.000) 13.564 3.245 ( 9.641 0.000 0.000) 9.641 3.324 ( 7.295 0.000 0.000) 7.295 3.389 ( -6.121 0.000 0.000) 6.121 3.414 ( -1.431 0.000 0.000) 1.431 3.462 ( 4.943 0.000 0.000) 4.943 3.500 ( 0.789 0.000 0.000) 0.789 3.520 ( -0.145 0.000 0.000) 0.145 3.521 ( -1.196 0.000 0.000) 1.196 3.657 ( 0.116 0.000 0.000) 0.116 3.667 ( -0.962 0.000 0.000) 0.962 3.674 ( 4.186 0.000 0.000) 4.186 3.819 ( -7.925 0.000 0.000) 7.925 3.837 ( 8.825 0.000 0.000) 8.825 3.915 ( 2.356 0.000 0.000) 2.356 3.943 ( -3.088 0.000 0.000) 3.088 3.960 ( -1.903 0.000 0.000) 1.903 3.994 ( 2.881 0.000 0.000) 2.881 3.995 ( 9.476 0.000 0.000) 9.476 4.043 ( -2.017 0.000 0.000) 2.017 4.164 ( -7.399 0.000 0.000) 7.399 4.299 ( 2.449 0.000 0.000) 2.449 4.351 ( -2.642 0.000 0.000) 2.642 4.542 ( 4.312 0.000 0.000) 4.312 4.665 ( 8.394 0.000 0.000) 8.394 4.686 ( -7.648 0.000 0.000) 7.648 4.791 ( -6.323 0.000 0.000) 6.323 4.849 ( 3.105 0.000 0.000) 3.105 4.938 ( -1.365 0.000 0.000) 1.365 4.954 ( 0.185 0.000 0.000) 0.185 5.022 ( -12.245 0.000 0.000) 12.245 5.133 ( 3.235 0.000 0.000) 3.235 5.201 ( -3.448 0.000 0.000) 3.448 5.351 ( 5.796 0.000 0.000) 5.796 5.430 ( -2.544 0.000 0.000) 2.544 5.582 ( 5.058 0.000 0.000) 5.058 5.599 ( 14.640 0.000 0.000) 14.640 5.701 ( -7.375 0.000 0.000) 7.375 5.844 ( -11.152 0.000 0.000) 11.152 6.052 ( 5.708 0.000 0.000) 5.708 6.120 ( 11.683 0.000 0.000) 11.683 6.159 ( -2.753 0.000 0.000) 2.753 6.290 ( -1.641 0.000 0.000) 1.641 6.296 ( -4.431 0.000 0.000) 4.431 6.348 ( -12.040 0.000 0.000) 12.040 6.540 ( 6.498 0.000 0.000) 6.498 6.600 ( 4.624 0.000 0.000) 4.624 6.687 ( -4.637 0.000 0.000) 4.637 6.690 ( -1.662 0.000 0.000) 1.662 6.812 ( 6.804 0.000 0.000) 6.804 6.913 ( -3.843 0.000 0.000) 3.843 7.181 ( 0.236 0.000 0.000) 0.236 7.182 ( 0.159 0.000 0.000) 0.159 7.442 ( 3.361 0.000 0.000) 3.361 7.506 ( -2.862 0.000 0.000) 2.862 7.966 ( 1.249 0.000 0.000) 1.249 7.994 ( -1.431 0.000 0.000) 1.431 8.880 ( 2.379 0.000 0.000) 2.379 8.935 ( -3.124 0.000 0.000) 3.124 8.939 ( 4.671 0.000 0.000) 4.671 9.030 ( 1.816 0.000 0.000) 1.816 9.051 ( -4.880 0.000 0.000) 4.880 9.081 ( -5.470 0.000 0.000) 5.470 9.169 ( 2.885 0.000 0.000) 2.885 9.205 ( -0.773 0.000 0.000) 0.773 9.248 ( 0.042 0.000 0.000) 0.042 9.249 ( -0.021 0.000 0.000) 0.021 9.478 ( 11.359 0.000 0.000) 11.359 9.667 ( -7.874 0.000 0.000) 7.874 9.734 ( -1.532 0.000 0.000) 1.532 9.743 ( -2.673 0.000 0.000) 2.673 9.781 ( -0.444 0.000 0.000) 0.444 9.790 ( -0.970 0.000 0.000) 0.970 9.938 ( 1.208 0.000 0.000) 1.208 9.950 ( 0.181 0.000 0.000) 0.181 9.987 ( 3.013 0.000 0.000) 3.013 10.029 ( -1.695 0.000 0.000) 1.695 10.252 ( 1.561 0.000 0.000) 1.561 10.256 ( 1.158 0.000 0.000) 1.158 10.265 ( 0.211 0.000 0.000) 0.211 10.281 ( -1.304 0.000 0.000) 1.304 10.353 ( 6.111 0.000 0.000) 6.111 10.439 ( -2.792 0.000 0.000) 2.792 10.469 ( 1.419 0.000 0.000) 1.419 10.499 ( -1.172 0.000 0.000) 1.172 10.581 ( 4.643 0.000 0.000) 4.643 10.615 ( 6.765 0.000 0.000) 6.765 10.720 ( -8.975 0.000 0.000) 8.975 10.797 ( -11.333 0.000 0.000) 11.333 11.003 ( 3.752 0.000 0.000) 3.752 11.098 ( -6.133 0.000 0.000) 6.133 11.105 ( 2.988 0.000 0.000) 2.988 11.134 ( -0.418 0.000 0.000) 0.418 11.389 ( 7.837 0.000 0.000) 7.837 11.512 ( -4.934 0.000 0.000) 4.934 11.565 ( 2.831 0.000 0.000) 2.831 11.625 ( -2.915 0.000 0.000) 2.915 12.150 ( 11.690 0.000 0.000) 11.690 12.352 ( -8.048 0.000 0.000) 8.048 12.827 ( 0.149 0.000 0.000) 0.149 12.839 ( 0.701 0.000 0.000) 0.701 12.846 ( -1.986 0.000 0.000) 1.986 12.853 ( -0.677 0.000 0.000) 0.677 13.169 ( 0.865 0.000 0.000) 0.865 13.180 ( -0.355 0.000 0.000) 0.355 13.546 ( 0.119 0.000 0.000) 0.119 13.549 ( -0.124 0.000 0.000) 0.124 13.562 ( 1.934 0.000 0.000) 1.934 13.598 ( -1.619 0.000 0.000) 1.619 14.359 ( 0.948 0.000 0.000) 0.948 14.377 ( -0.873 0.000 0.000) 0.873 15.476 ( 0.789 0.000 0.000) 0.789 15.493 ( -0.945 0.000 0.000) 0.945 15.629 ( 0.283 0.000 0.000) 0.283 15.635 ( -0.289 0.000 0.000) 0.289 15.876 ( 1.566 0.000 0.000) 1.566 15.906 ( -1.390 0.000 0.000) 1.390 16.349 ( 1.041 0.000 0.000) 1.041 16.372 ( -1.234 0.000 0.000) 1.234 16.527 ( 0.723 0.000 0.000) 0.723 16.539 ( -0.525 0.000 0.000) 0.525 16.957 ( 1.501 0.000 0.000) 1.501 16.994 ( -2.223 0.000 0.000) 2.223 17.109 ( 1.708 0.000 0.000) 1.708 17.136 ( -0.992 0.000 0.000) 0.992 19.493 ( 0.388 0.000 0.000) 0.388 19.503 ( -0.730 0.000 0.000) 0.730 19.544 ( 0.997 0.000 0.000) 0.997 19.561 ( -0.651 0.000 0.000) 0.651 19.677 ( 0.220 0.000 0.000) 0.220 19.682 ( -0.221 0.000 0.000) 0.221 20.050 ( 0.372 0.000 0.000) 0.372 20.058 ( -0.371 0.000 0.000) 0.371 20.470 ( 0.607 0.000 0.000) 0.607 20.483 ( -0.643 0.000 0.000) 0.643 21.226 ( 0.741 0.000 0.000) 0.741 21.241 ( -0.735 0.000 0.000) 0.735 21.302 ( 0.130 0.000 0.000) 0.130 21.305 ( -0.097 0.000 0.000) 0.097 21.786 ( 0.049 0.000 0.000) 0.049 21.787 ( -0.053 0.000 0.000) 0.053 ======================= Grid point 3 (3/40) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 0.000 22.601 0.000) 22.601 0.500 ( 0.000 26.091 0.000) 26.091 0.954 ( 0.000 46.918 0.000) 46.918 1.387 ( 0.000 -15.007 0.000) 15.007 1.436 ( 0.000 3.768 0.000) 3.768 1.529 ( 0.000 6.909 0.000) 6.909 1.688 ( 0.000 8.290 0.000) 8.290 1.983 ( 0.000 -4.289 0.000) 4.289 2.086 ( 0.000 4.875 0.000) 4.875 2.256 ( 0.000 19.062 0.000) 19.062 2.620 ( 0.000 1.163 0.000) 1.163 2.639 ( 0.000 9.662 0.000) 9.662 2.712 ( 0.000 -3.598 0.000) 3.598 2.897 ( 0.000 11.086 0.000) 11.086 3.059 ( 0.000 8.645 0.000) 8.645 3.094 ( 0.000 7.715 0.000) 7.715 3.151 ( 0.000 -6.026 0.000) 6.026 3.262 ( 0.000 -12.117 0.000) 12.117 3.263 ( 0.000 -11.540 0.000) 11.540 3.270 ( 0.000 -3.892 0.000) 3.892 3.331 ( 0.000 -18.990 0.000) 18.990 3.338 ( 0.000 0.225 0.000) 0.225 3.497 ( 0.000 -3.863 0.000) 3.863 3.511 ( 0.000 1.656 0.000) 1.656 3.561 ( 0.000 -1.331 0.000) 1.331 3.642 ( 0.000 2.146 0.000) 2.146 3.668 ( 0.000 6.580 0.000) 6.580 3.688 ( 0.000 -0.915 0.000) 0.915 3.756 ( 0.000 -3.940 0.000) 3.940 3.886 ( 0.000 0.084 0.000) 0.084 3.888 ( 0.000 -0.005 0.000) 0.005 3.977 ( 0.000 -1.407 0.000) 1.407 4.030 ( 0.000 6.196 0.000) 6.196 4.059 ( 0.000 0.036 0.000) 0.036 4.142 ( 0.000 9.413 0.000) 9.413 4.226 ( 0.000 -0.617 0.000) 0.617 4.265 ( 0.000 0.526 0.000) 0.526 4.317 ( 0.000 6.795 0.000) 6.795 4.503 ( 0.000 -3.001 0.000) 3.001 4.514 ( 0.000 8.593 0.000) 8.593 4.768 ( 0.000 1.253 0.000) 1.253 4.819 ( 0.000 -0.911 0.000) 0.911 4.837 ( 0.000 3.479 0.000) 3.479 4.950 ( 0.000 15.156 0.000) 15.156 4.978 ( 0.000 -3.893 0.000) 3.893 5.106 ( 0.000 -0.023 0.000) 0.023 5.275 ( 0.000 6.276 0.000) 6.276 5.333 ( 0.000 3.100 0.000) 3.100 5.337 ( 0.000 2.080 0.000) 2.080 5.384 ( 0.000 -6.870 0.000) 6.870 5.445 ( 0.000 -5.181 0.000) 5.181 5.532 ( 0.000 -1.143 0.000) 1.143 5.738 ( 0.000 -7.471 0.000) 7.471 5.920 ( 0.000 -5.147 0.000) 5.147 5.944 ( 0.000 -2.364 0.000) 2.364 6.023 ( 0.000 4.133 0.000) 4.133 6.124 ( 0.000 -3.035 0.000) 3.035 6.308 ( 0.000 -0.804 0.000) 0.804 6.400 ( 0.000 -6.427 0.000) 6.427 6.411 ( 0.000 -1.123 0.000) 1.123 6.460 ( 0.000 -4.227 0.000) 4.227 6.490 ( 0.000 0.974 0.000) 0.974 6.642 ( 0.000 -5.429 0.000) 5.429 6.675 ( 0.000 -6.730 0.000) 6.730 6.799 ( 0.000 -0.983 0.000) 0.983 6.976 ( 0.000 2.185 0.000) 2.185 7.074 ( 0.000 -9.011 0.000) 9.011 7.084 ( 0.000 -6.338 0.000) 6.338 7.522 ( 0.000 8.813 0.000) 8.813 7.594 ( 0.000 4.943 0.000) 4.943 7.974 ( 0.000 1.651 0.000) 1.651 8.049 ( 0.000 -6.649 0.000) 6.649 8.874 ( 0.000 1.688 0.000) 1.688 8.893 ( 0.000 -0.001 0.000) 0.001 8.934 ( 0.000 -3.693 0.000) 3.693 9.037 ( 0.000 -8.196 0.000) 8.196 9.051 ( 0.000 3.917 0.000) 3.917 9.116 ( 0.000 3.126 0.000) 3.126 9.204 ( 0.000 0.230 0.000) 0.230 9.227 ( 0.000 -1.182 0.000) 1.182 9.285 ( 0.000 1.505 0.000) 1.505 9.308 ( 0.000 2.205 0.000) 2.205 9.316 ( 0.000 1.025 0.000) 1.025 9.613 ( 0.000 1.904 0.000) 1.904 9.722 ( 0.000 -1.313 0.000) 1.313 9.741 ( 0.000 -2.835 0.000) 2.835 9.842 ( 0.000 1.272 0.000) 1.272 9.858 ( 0.000 -5.685 0.000) 5.685 9.905 ( 0.000 -4.848 0.000) 4.848 9.954 ( 0.000 9.661 0.000) 9.661 9.997 ( 0.000 3.703 0.000) 3.703 10.035 ( 0.000 -10.089 0.000) 10.089 10.083 ( 0.000 2.677 0.000) 2.677 10.184 ( 0.000 -7.407 0.000) 7.407 10.262 ( 0.000 -0.132 0.000) 0.132 10.352 ( 0.000 0.103 0.000) 0.103 10.383 ( 0.000 1.622 0.000) 1.622 10.441 ( 0.000 0.767 0.000) 0.767 10.467 ( 0.000 0.229 0.000) 0.229 10.504 ( 0.000 2.271 0.000) 2.271 10.533 ( 0.000 6.992 0.000) 6.992 10.688 ( 0.000 8.595 0.000) 8.595 10.842 ( 0.000 1.078 0.000) 1.078 10.967 ( 0.000 2.530 0.000) 2.530 11.080 ( 0.000 3.251 0.000) 3.251 11.097 ( 0.000 5.111 0.000) 5.111 11.186 ( 0.000 8.740 0.000) 8.740 11.218 ( 0.000 -2.758 0.000) 2.758 11.414 ( 0.000 -1.999 0.000) 1.999 11.516 ( 0.000 -3.629 0.000) 3.629 11.601 ( 0.000 8.998 0.000) 8.998 11.716 ( 0.000 5.734 0.000) 5.734 12.103 ( 0.000 -6.921 0.000) 6.921 12.376 ( 0.000 -5.971 0.000) 5.971 12.597 ( 0.000 -11.113 0.000) 11.113 12.670 ( 0.000 -8.555 0.000) 8.555 13.054 ( 0.000 11.243 0.000) 11.243 13.118 ( 0.000 12.547 0.000) 12.547 13.196 ( 0.000 1.380 0.000) 1.380 13.248 ( 0.000 6.402 0.000) 6.402 13.546 ( 0.000 -0.271 0.000) 0.271 13.568 ( 0.000 2.423 0.000) 2.423 13.595 ( 0.000 6.994 0.000) 6.994 14.317 ( 0.000 -5.828 0.000) 5.828 14.350 ( 0.000 0.569 0.000) 0.569 14.614 ( 0.000 5.415 0.000) 5.415 14.951 ( 0.000 1.602 0.000) 1.602 15.363 ( 0.000 -9.023 0.000) 9.023 15.405 ( 0.000 -7.674 0.000) 7.674 15.677 ( 0.000 1.923 0.000) 1.923 15.772 ( 0.000 -8.041 0.000) 8.041 15.796 ( 0.000 7.693 0.000) 7.693 15.860 ( 0.000 -5.317 0.000) 5.317 16.338 ( 0.000 -14.792 0.000) 14.792 16.382 ( 0.000 2.811 0.000) 2.811 16.421 ( 0.000 2.115 0.000) 2.115 16.935 ( 0.000 -0.027 0.000) 0.027 17.019 ( 0.000 0.130 0.000) 0.130 17.046 ( 0.000 1.704 0.000) 1.704 17.144 ( 0.000 0.381 0.000) 0.381 19.289 ( 0.000 0.276 0.000) 0.276 19.424 ( 0.000 -5.784 0.000) 5.784 19.474 ( 0.000 -1.500 0.000) 1.500 19.501 ( 0.000 -1.468 0.000) 1.468 19.942 ( 0.000 14.807 0.000) 14.807 20.068 ( 0.000 2.173 0.000) 2.173 20.079 ( 0.000 1.775 0.000) 1.775 20.417 ( 0.000 -4.605 0.000) 4.605 20.484 ( 0.000 -0.699 0.000) 0.699 20.587 ( 0.000 -2.917 0.000) 2.917 20.957 ( 0.000 -10.237 0.000) 10.237 21.123 ( 0.000 -10.117 0.000) 10.117 21.348 ( 0.000 4.298 0.000) 4.298 21.403 ( 0.000 6.925 0.000) 6.925 21.630 ( 0.000 -0.161 0.000) 0.161 21.724 ( 0.000 -4.839 0.000) 4.839 ======================= Grid point 4 (4/40) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 15.123 10.675 0.000) 18.511 0.701 ( 16.318 15.771 0.000) 22.693 0.939 ( -23.605 -1.977 0.000) 23.688 1.126 ( -20.157 11.995 0.000) 23.456 1.328 ( 24.154 33.422 0.000) 41.236 1.690 ( -1.779 6.919 0.000) 7.144 1.973 ( -0.195 -0.987 0.000) 1.006 2.018 ( -9.049 11.284 0.000) 14.464 2.072 ( 23.207 4.624 0.000) 23.663 2.225 ( 9.117 8.219 0.000) 12.274 2.490 ( -20.642 2.923 0.000) 20.848 2.495 ( -14.429 4.237 0.000) 15.038 2.717 ( 8.464 0.396 0.000) 8.474 2.892 ( -8.046 -1.337 0.000) 8.156 2.914 ( 6.820 11.831 0.000) 13.656 3.106 ( -10.861 8.566 0.000) 13.833 3.184 ( -0.796 -10.393 0.000) 10.423 3.213 ( -2.539 -15.830 0.000) 16.032 3.292 ( 7.594 -1.900 0.000) 7.828 3.339 ( 2.400 -10.617 0.000) 10.884 3.381 ( 2.227 -16.408 0.000) 16.559 3.430 ( -5.276 -3.229 0.000) 6.186 3.480 ( 13.043 6.043 0.000) 14.375 3.522 ( 0.338 1.470 0.000) 1.509 3.624 ( -1.519 -3.509 0.000) 3.824 3.624 ( 3.784 -4.619 0.000) 5.971 3.680 ( -1.220 2.672 0.000) 2.937 3.685 ( -3.101 0.247 0.000) 3.110 3.896 ( 9.237 -4.420 0.000) 10.240 3.920 ( 4.662 0.192 0.000) 4.666 3.957 ( 6.105 2.937 0.000) 6.775 3.974 ( -0.625 -2.468 0.000) 2.546 4.010 ( -5.146 -1.206 0.000) 5.286 4.085 ( 5.148 5.330 0.000) 7.410 4.088 ( -5.550 7.555 0.000) 9.374 4.185 ( -4.686 5.768 0.000) 7.431 4.266 ( 2.955 1.490 0.000) 3.309 4.310 ( -1.633 2.762 0.000) 3.209 4.539 ( 4.667 -2.309 0.000) 5.207 4.643 ( 6.324 -2.744 0.000) 6.894 4.686 ( -6.042 -0.387 0.000) 6.054 4.766 ( -3.884 -5.015 0.000) 6.344 4.887 ( 2.906 6.331 0.000) 6.966 4.940 ( -3.016 2.825 0.000) 4.133 4.969 ( 2.955 14.098 0.000) 14.404 5.089 ( -9.708 10.629 0.000) 14.395 5.163 ( 6.082 0.075 0.000) 6.082 5.308 ( -0.263 -5.428 0.000) 5.434 5.322 ( -7.726 1.212 0.000) 7.820 5.360 ( -2.490 -6.757 0.000) 7.201 5.569 ( 4.247 -1.994 0.000) 4.692 5.599 ( 13.451 1.294 0.000) 13.513 5.657 ( -5.319 -4.814 0.000) 7.174 5.828 ( -10.411 -1.319 0.000) 10.494 6.060 ( 10.968 -5.926 0.000) 12.467 6.072 ( 4.245 1.822 0.000) 4.619 6.134 ( -1.075 -2.719 0.000) 2.923 6.238 ( -6.134 -4.612 0.000) 7.674 6.324 ( -3.822 2.263 0.000) 4.442 6.348 ( -6.816 -1.617 0.000) 7.005 6.505 ( 6.833 -3.387 0.000) 7.626 6.569 ( 3.533 -2.552 0.000) 4.359 6.628 ( -1.197 -4.918 0.000) 5.062 6.632 ( -4.102 -5.569 0.000) 6.917 6.852 ( 4.617 0.490 0.000) 4.643 6.936 ( -3.846 1.420 0.000) 4.100 7.076 ( 0.168 -8.596 0.000) 8.597 7.080 ( -0.311 -7.238 0.000) 7.245 7.548 ( 2.201 7.991 0.000) 8.289 7.583 ( -1.294 6.037 0.000) 6.174 7.981 ( 0.741 0.783 0.000) 1.078 8.007 ( -2.332 -1.752 0.000) 2.917 8.857 ( 1.636 -3.256 0.000) 3.644 8.913 ( -2.592 -3.888 0.000) 4.673 8.935 ( 1.382 2.027 0.000) 2.454 8.972 ( -3.902 -4.250 0.000) 5.770 9.069 ( 1.829 3.992 0.000) 4.391 9.106 ( -1.528 3.660 0.000) 3.966 9.213 ( 1.362 2.236 0.000) 2.618 9.227 ( -0.029 -0.053 0.000) 0.061 9.249 ( -0.546 0.354 0.000) 0.651 9.265 ( -2.284 1.960 0.000) 3.010 9.454 ( 9.590 -1.363 0.000) 9.686 9.606 ( -5.617 -3.198 0.000) 6.463 9.723 ( 0.685 -0.752 0.000) 1.017 9.757 ( 2.946 -2.409 0.000) 3.806 9.774 ( -3.243 0.968 0.000) 3.384 9.829 ( -2.925 -2.397 0.000) 3.781 9.944 ( 0.984 -2.198 0.000) 2.409 9.946 ( -0.092 1.506 0.000) 1.509 10.009 ( 0.436 3.614 0.000) 3.640 10.012 ( -0.393 0.472 0.000) 0.614 10.175 ( 0.581 -2.939 0.000) 2.996 10.188 ( -2.871 -2.001 0.000) 3.499 10.190 ( 6.249 -5.069 0.000) 8.046 10.303 ( -4.509 0.793 0.000) 4.578 10.416 ( 1.578 -3.203 0.000) 3.571 10.437 ( -0.616 -1.804 0.000) 1.907 10.487 ( 1.872 3.437 0.000) 3.914 10.512 ( -0.083 4.291 0.000) 4.292 10.582 ( 5.255 5.194 0.000) 7.389 10.725 ( -8.723 2.175 0.000) 8.990 10.725 ( 4.587 7.749 0.000) 9.005 10.867 ( -8.756 5.325 0.000) 10.248 11.121 ( 2.003 2.915 0.000) 3.537 11.134 ( 1.555 3.053 0.000) 3.426 11.210 ( 2.797 11.487 0.000) 11.823 11.276 ( 0.533 3.419 0.000) 3.460 11.351 ( 0.479 0.945 0.000) 1.060 11.461 ( -5.637 -4.315 0.000) 7.099 11.628 ( 2.913 6.120 0.000) 6.778 11.687 ( -2.829 5.749 0.000) 6.407 12.156 ( 7.331 -3.002 0.000) 7.922 12.309 ( -6.969 -5.194 0.000) 8.691 12.613 ( 1.494 -10.340 0.000) 10.447 12.646 ( -1.861 -9.014 0.000) 9.204 13.061 ( 0.940 11.830 0.000) 11.868 13.091 ( -2.094 12.599 0.000) 12.772 13.230 ( 2.040 1.913 0.000) 2.797 13.250 ( -0.195 4.937 0.000) 4.941 13.537 ( 0.017 0.503 0.000) 0.503 13.552 ( -1.297 1.968 0.000) 2.357 13.660 ( 6.223 9.510 0.000) 11.365 13.868 ( -19.775 18.687 0.000) 27.208 14.359 ( 0.820 0.468 0.000) 0.944 14.378 ( -1.325 1.024 0.000) 1.674 15.372 ( 0.881 -8.864 0.000) 8.907 15.392 ( -1.077 -8.435 0.000) 8.503 15.614 ( 9.310 -8.067 0.000) 12.319 15.671 ( -0.840 1.084 0.000) 1.371 15.796 ( 2.367 -7.244 0.000) 7.621 15.841 ( -1.996 -5.859 0.000) 6.189 16.033 ( 22.390 -19.418 0.000) 29.637 16.286 ( -6.313 -17.712 0.000) 18.804 16.392 ( 0.994 2.583 0.000) 2.768 16.412 ( -0.953 2.020 0.000) 2.233 16.948 ( 1.324 -0.031 0.000) 1.324 16.981 ( -2.197 0.195 0.000) 2.206 17.092 ( 2.745 0.574 0.000) 2.804 17.131 ( -1.366 0.346 0.000) 1.410 19.336 ( 3.796 -3.350 0.000) 5.063 19.398 ( -2.534 -5.351 0.000) 5.921 19.484 ( 0.742 -1.625 0.000) 1.786 19.496 ( -0.510 -1.510 0.000) 1.594 19.986 ( 5.052 15.427 0.000) 16.233 20.072 ( -0.883 2.122 0.000) 2.298 20.073 ( 0.648 2.676 0.000) 2.753 20.187 ( -16.349 14.766 0.000) 22.030 20.471 ( -0.358 0.561 0.000) 0.666 20.478 ( -0.545 -0.567 0.000) 0.787 21.088 ( 4.254 -14.037 0.000) 14.668 21.122 ( -0.402 -10.964 0.000) 10.972 21.352 ( 0.470 4.780 0.000) 4.803 21.370 ( -1.667 6.367 0.000) 6.582 21.689 ( 2.841 -4.844 0.000) 5.615 21.718 ( -0.698 -5.001 0.000) 5.050 ======================= Grid point 6 (5/40) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 21.845 0.000) 21.845 0.997 ( 0.000 24.735 0.000) 24.735 1.236 ( 0.000 0.668 0.000) 0.668 1.481 ( 0.000 -0.097 0.000) 0.097 1.667 ( 0.000 18.344 0.000) 18.344 1.718 ( 0.000 12.390 0.000) 12.390 1.847 ( 0.000 1.773 0.000) 1.773 2.007 ( 0.000 19.460 0.000) 19.460 2.188 ( 0.000 5.752 0.000) 5.752 2.457 ( 0.000 2.476 0.000) 2.476 2.518 ( 0.000 -17.937 0.000) 17.937 2.695 ( 0.000 6.144 0.000) 6.144 2.703 ( 0.000 -4.871 0.000) 4.871 2.938 ( 0.000 -19.082 0.000) 19.082 2.953 ( 0.000 -16.745 0.000) 16.745 2.978 ( 0.000 -11.514 0.000) 11.514 3.027 ( 0.000 -12.076 0.000) 12.076 3.129 ( 0.000 11.743 0.000) 11.743 3.161 ( 0.000 3.377 0.000) 3.377 3.348 ( 0.000 14.898 0.000) 14.898 3.388 ( 0.000 19.345 0.000) 19.345 3.485 ( 0.000 2.950 0.000) 2.950 3.525 ( 0.000 -0.816 0.000) 0.816 3.571 ( 0.000 2.369 0.000) 2.369 3.583 ( 0.000 6.887 0.000) 6.887 3.671 ( 0.000 5.902 0.000) 5.902 3.673 ( 0.000 2.104 0.000) 2.104 3.693 ( 0.000 2.982 0.000) 2.982 3.725 ( 0.000 -0.333 0.000) 0.333 3.854 ( 0.000 -1.496 0.000) 1.496 3.896 ( 0.000 1.129 0.000) 1.129 3.977 ( 0.000 2.197 0.000) 2.197 4.094 ( 0.000 4.160 0.000) 4.160 4.131 ( 0.000 2.416 0.000) 2.416 4.264 ( 0.000 3.445 0.000) 3.445 4.299 ( 0.000 2.795 0.000) 2.795 4.346 ( 0.000 9.686 0.000) 9.686 4.459 ( 0.000 -0.369 0.000) 0.369 4.464 ( 0.000 7.311 0.000) 7.311 4.660 ( 0.000 5.732 0.000) 5.732 4.784 ( 0.000 0.041 0.000) 0.041 4.800 ( 0.000 -1.412 0.000) 1.412 4.815 ( 0.000 -13.712 0.000) 13.712 4.843 ( 0.000 3.440 0.000) 3.440 5.077 ( 0.000 -3.142 0.000) 3.142 5.191 ( 0.000 -13.349 0.000) 13.349 5.230 ( 0.000 -7.266 0.000) 7.266 5.364 ( 0.000 20.082 0.000) 20.082 5.375 ( 0.000 -1.519 0.000) 1.519 5.451 ( 0.000 9.957 0.000) 9.957 5.509 ( 0.000 3.661 0.000) 3.661 5.556 ( 0.000 -8.857 0.000) 8.857 5.567 ( 0.000 12.250 0.000) 12.250 5.767 ( 0.000 -10.610 0.000) 10.610 5.903 ( 0.000 -1.156 0.000) 1.156 6.028 ( 0.000 -6.765 0.000) 6.765 6.090 ( 0.000 1.263 0.000) 1.263 6.227 ( 0.000 -11.334 0.000) 11.334 6.285 ( 0.000 -2.060 0.000) 2.060 6.368 ( 0.000 -3.539 0.000) 3.539 6.396 ( 0.000 -1.061 0.000) 1.061 6.505 ( 0.000 -9.804 0.000) 9.804 6.507 ( 0.000 0.406 0.000) 0.406 6.526 ( 0.000 -5.693 0.000) 5.693 6.744 ( 0.000 -4.633 0.000) 4.633 6.884 ( 0.000 -10.052 0.000) 10.052 6.997 ( 0.000 -2.446 0.000) 2.446 7.011 ( 0.000 0.954 0.000) 0.954 7.686 ( 0.000 4.260 0.000) 4.260 7.693 ( 0.000 8.583 0.000) 8.583 7.913 ( 0.000 -6.443 0.000) 6.443 7.993 ( 0.000 -0.225 0.000) 0.225 8.850 ( 0.000 -4.409 0.000) 4.409 8.885 ( 0.000 -6.672 0.000) 6.672 8.901 ( 0.000 0.878 0.000) 0.878 8.910 ( 0.000 1.699 0.000) 1.699 9.149 ( 0.000 5.770 0.000) 5.770 9.181 ( 0.000 2.989 0.000) 2.989 9.218 ( 0.000 0.853 0.000) 0.853 9.225 ( 0.000 0.853 0.000) 0.853 9.340 ( 0.000 4.562 0.000) 4.562 9.346 ( 0.000 2.232 0.000) 2.232 9.365 ( 0.000 3.914 0.000) 3.914 9.609 ( 0.000 -2.530 0.000) 2.530 9.695 ( 0.000 -1.995 0.000) 1.995 9.698 ( 0.000 -1.410 0.000) 1.410 9.744 ( 0.000 -5.585 0.000) 5.585 9.802 ( 0.000 -5.132 0.000) 5.132 9.851 ( 0.000 -0.009 0.000) 0.009 9.864 ( 0.000 -7.387 0.000) 7.387 9.961 ( 0.000 -7.945 0.000) 7.945 10.016 ( 0.000 -2.823 0.000) 2.823 10.107 ( 0.000 4.063 0.000) 4.063 10.260 ( 0.000 9.653 0.000) 9.653 10.280 ( 0.000 2.173 0.000) 2.173 10.351 ( 0.000 -0.306 0.000) 0.306 10.382 ( 0.000 -4.461 0.000) 4.461 10.435 ( 0.000 3.259 0.000) 3.259 10.472 ( 0.000 0.474 0.000) 0.474 10.518 ( 0.000 0.284 0.000) 0.284 10.761 ( 0.000 12.383 0.000) 12.383 10.860 ( 0.000 8.972 0.000) 8.972 10.881 ( 0.000 2.896 0.000) 2.896 11.016 ( 0.000 2.533 0.000) 2.533 11.104 ( 0.000 -1.284 0.000) 1.284 11.116 ( 0.000 -0.941 0.000) 0.941 11.276 ( 0.000 9.319 0.000) 9.319 11.344 ( 0.000 -0.399 0.000) 0.399 11.355 ( 0.000 -4.156 0.000) 4.156 11.490 ( 0.000 6.117 0.000) 6.117 11.803 ( 0.000 11.634 0.000) 11.634 11.869 ( 0.000 10.146 0.000) 10.146 11.935 ( 0.000 -10.062 0.000) 10.062 12.180 ( 0.000 -12.989 0.000) 12.989 12.443 ( 0.000 -6.439 0.000) 6.439 12.495 ( 0.000 -10.074 0.000) 10.074 13.235 ( 0.000 2.514 0.000) 2.514 13.242 ( 0.000 7.237 0.000) 7.237 13.296 ( 0.000 4.518 0.000) 4.518 13.306 ( 0.000 0.101 0.000) 0.101 13.570 ( 0.000 4.271 0.000) 4.271 13.647 ( 0.000 6.261 0.000) 6.261 13.785 ( 0.000 8.592 0.000) 8.592 14.183 ( 0.000 -8.026 0.000) 8.026 14.410 ( 0.000 7.295 0.000) 7.295 14.736 ( 0.000 7.168 0.000) 7.168 15.014 ( 0.000 5.250 0.000) 5.250 15.160 ( 0.000 -11.686 0.000) 11.686 15.246 ( 0.000 -8.686 0.000) 8.686 15.586 ( 0.000 -10.762 0.000) 10.762 15.665 ( 0.000 -3.084 0.000) 3.084 15.748 ( 0.000 -5.878 0.000) 5.878 15.953 ( 0.000 8.395 0.000) 8.395 16.130 ( 0.000 -4.300 0.000) 4.300 16.386 ( 0.000 -3.044 0.000) 3.044 16.405 ( 0.000 -4.379 0.000) 4.379 16.977 ( 0.000 4.638 0.000) 4.638 17.048 ( 0.000 2.956 0.000) 2.956 17.089 ( 0.000 2.475 0.000) 2.475 17.159 ( 0.000 0.764 0.000) 0.764 19.300 ( 0.000 1.002 0.000) 1.002 19.358 ( 0.000 -1.587 0.000) 1.587 19.435 ( 0.000 -2.432 0.000) 2.432 19.458 ( 0.000 -2.988 0.000) 2.988 20.127 ( 0.000 3.045 0.000) 3.045 20.127 ( 0.000 3.962 0.000) 3.962 20.153 ( 0.000 7.354 0.000) 7.354 20.312 ( 0.000 -5.518 0.000) 5.518 20.457 ( 0.000 -2.146 0.000) 2.146 20.521 ( 0.000 -3.297 0.000) 3.297 20.757 ( 0.000 -10.100 0.000) 10.100 20.854 ( 0.000 -16.264 0.000) 16.264 21.454 ( 0.000 5.988 0.000) 5.988 21.517 ( 0.000 4.723 0.000) 4.723 21.626 ( 0.000 -0.323 0.000) 0.323 21.650 ( 0.000 -2.615 0.000) 2.615 ======================= Grid point 7 (6/40) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.292 21.250 0.000) 21.252 0.951 ( -10.525 12.051 0.000) 16.000 1.158 ( 8.217 21.618 0.000) 23.127 1.417 ( -17.109 17.938 0.000) 24.789 1.692 ( 10.487 -5.716 0.000) 11.943 1.755 ( 2.740 -0.234 0.000) 2.750 2.037 ( 12.059 12.792 0.000) 17.580 2.207 ( -0.829 7.947 0.000) 7.990 2.226 ( 18.165 12.240 0.000) 21.904 2.361 ( -3.333 1.107 0.000) 3.512 2.514 ( -4.958 -5.196 0.000) 7.182 2.545 ( -13.195 -0.053 0.000) 13.195 2.764 ( 6.277 5.083 0.000) 8.077 2.836 ( -2.099 -20.540 0.000) 20.647 2.882 ( -9.082 -12.075 0.000) 15.109 2.945 ( -10.462 1.172 0.000) 10.528 3.061 ( 5.696 -10.363 0.000) 11.825 3.140 ( -2.641 0.273 0.000) 2.655 3.205 ( 8.401 11.083 0.000) 13.907 3.295 ( 9.436 0.124 0.000) 9.437 3.345 ( -6.477 5.692 0.000) 8.622 3.409 ( -4.688 -6.366 0.000) 7.906 3.414 ( -10.683 3.333 0.000) 11.191 3.529 ( -9.465 -2.832 0.000) 9.879 3.644 ( 7.826 6.094 0.000) 9.918 3.676 ( 5.281 9.710 0.000) 11.053 3.746 ( -0.189 4.861 0.000) 4.864 3.767 ( -1.070 4.518 0.000) 4.643 3.829 ( 9.866 1.102 0.000) 9.928 3.960 ( -2.587 2.065 0.000) 3.310 3.967 ( 13.563 2.374 0.000) 13.769 3.990 ( 4.573 3.123 0.000) 5.538 4.038 ( -3.751 3.285 0.000) 4.986 4.147 ( 3.169 1.768 0.000) 3.629 4.188 ( -7.406 2.816 0.000) 7.924 4.248 ( -5.959 2.097 0.000) 6.318 4.411 ( 1.134 8.792 0.000) 8.865 4.427 ( -2.389 6.759 0.000) 7.169 4.492 ( 7.216 -1.393 0.000) 7.349 4.650 ( -7.569 -1.881 0.000) 7.799 4.708 ( 2.874 3.708 0.000) 4.691 4.769 ( -2.940 4.802 0.000) 5.630 4.900 ( 4.801 -0.969 0.000) 4.898 4.910 ( 4.075 -5.754 0.000) 7.051 5.063 ( -0.753 -10.569 0.000) 10.596 5.136 ( -7.675 -6.879 0.000) 10.306 5.217 ( 3.552 -5.859 0.000) 6.851 5.315 ( -5.722 -2.452 0.000) 6.225 5.364 ( 0.672 18.295 0.000) 18.307 5.403 ( -3.455 16.211 0.000) 16.575 5.515 ( 1.444 -1.280 0.000) 1.930 5.536 ( -1.052 -5.153 0.000) 5.259 5.668 ( 7.565 5.946 0.000) 9.622 5.810 ( -6.304 -0.540 0.000) 6.327 5.901 ( 9.706 -9.798 0.000) 13.791 6.051 ( 1.586 -5.718 0.000) 5.934 6.079 ( -1.656 -2.511 0.000) 3.008 6.100 ( -9.360 -9.725 0.000) 13.498 6.322 ( 1.355 -0.101 0.000) 1.358 6.372 ( -2.798 2.723 0.000) 3.904 6.418 ( 4.766 -5.841 0.000) 7.538 6.472 ( -1.481 -10.527 0.000) 10.631 6.528 ( 0.082 -4.302 0.000) 4.302 6.529 ( 0.260 -1.931 0.000) 1.948 6.815 ( 6.356 -3.812 0.000) 7.412 6.914 ( 3.002 -7.436 0.000) 8.020 6.940 ( -6.031 -1.294 0.000) 6.169 6.975 ( -2.914 -3.017 0.000) 4.194 7.693 ( 0.536 5.046 0.000) 5.074 7.697 ( 0.194 7.127 0.000) 7.130 7.931 ( 1.885 -4.949 0.000) 5.296 7.972 ( -2.055 -1.880 0.000) 2.786 8.824 ( -1.289 -3.184 0.000) 3.435 8.832 ( -2.477 0.725 0.000) 2.581 8.918 ( 2.581 -2.900 0.000) 3.883 8.953 ( -0.135 -0.344 0.000) 0.369 9.171 ( 2.128 6.043 0.000) 6.407 9.192 ( 0.533 4.277 0.000) 4.311 9.233 ( 0.658 0.904 0.000) 1.118 9.245 ( 1.389 1.074 0.000) 1.755 9.274 ( -2.439 2.713 0.000) 3.648 9.301 ( -3.143 1.955 0.000) 3.701 9.447 ( 4.971 0.704 0.000) 5.020 9.546 ( -5.683 -3.429 0.000) 6.637 9.688 ( 0.741 -3.108 0.000) 3.195 9.707 ( 0.490 -2.194 0.000) 2.248 9.763 ( 1.100 -2.457 0.000) 2.692 9.782 ( -1.628 -0.258 0.000) 1.648 9.868 ( 1.011 -5.087 0.000) 5.187 9.878 ( 0.899 -3.188 0.000) 3.312 10.014 ( 0.306 -4.012 0.000) 4.024 10.014 ( 2.306 -8.438 0.000) 8.748 10.105 ( 1.587 4.208 0.000) 4.497 10.197 ( -6.664 1.914 0.000) 6.934 10.282 ( 2.685 7.736 0.000) 8.189 10.332 ( -1.336 -0.999 0.000) 1.668 10.370 ( -0.985 -3.774 0.000) 3.901 10.383 ( -3.376 3.088 0.000) 4.575 10.529 ( 3.065 0.935 0.000) 3.204 10.538 ( 1.531 0.146 0.000) 1.538 10.772 ( 0.429 11.089 0.000) 11.097 10.812 ( -4.481 6.373 0.000) 7.791 10.880 ( 3.344 7.824 0.000) 8.509 10.972 ( -5.180 5.438 0.000) 7.510 11.138 ( 2.130 -0.335 0.000) 2.157 11.189 ( -2.227 -0.868 0.000) 2.391 11.219 ( 7.472 -2.189 0.000) 7.786 11.337 ( -2.383 -5.307 0.000) 5.817 11.434 ( 2.572 5.534 0.000) 6.103 11.458 ( -2.038 10.069 0.000) 10.273 11.785 ( 0.926 9.039 0.000) 9.087 11.836 ( -3.165 9.310 0.000) 9.833 12.035 ( 7.375 -7.693 0.000) 10.658 12.147 ( -3.947 -10.520 0.000) 11.236 12.449 ( 0.873 -7.588 0.000) 7.638 12.476 ( -1.669 -9.295 0.000) 9.443 13.254 ( 1.628 4.121 0.000) 4.431 13.255 ( 1.405 4.109 0.000) 4.342 13.281 ( -1.386 5.285 0.000) 5.463 13.290 ( -1.656 0.511 0.000) 1.733 13.582 ( 1.601 5.058 0.000) 5.306 13.623 ( -2.243 5.934 0.000) 6.344 13.861 ( 7.822 7.131 0.000) 10.585 14.058 ( -11.805 -0.060 0.000) 11.806 14.423 ( 1.536 7.964 0.000) 8.111 14.496 ( -8.340 11.889 0.000) 14.523 15.172 ( 1.369 -11.419 0.000) 11.500 15.205 ( -1.494 -10.242 0.000) 10.351 15.402 ( 18.911 -7.526 0.000) 20.354 15.620 ( -5.604 -5.409 0.000) 7.789 15.634 ( 4.335 -9.041 0.000) 10.027 15.714 ( -3.488 -6.783 0.000) 7.627 15.990 ( 4.043 5.448 0.000) 6.784 16.083 ( -4.738 -1.805 0.000) 5.070 16.391 ( 0.456 -3.357 0.000) 3.387 16.400 ( -0.449 -4.027 0.000) 4.052 16.988 ( 1.174 4.386 0.000) 4.540 17.019 ( -1.985 3.704 0.000) 4.202 17.119 ( 1.985 1.682 0.000) 2.602 17.149 ( -1.114 0.992 0.000) 1.492 19.315 ( 1.404 0.240 0.000) 1.425 19.343 ( -1.402 -1.012 0.000) 1.729 19.442 ( 0.619 -2.629 0.000) 2.701 19.453 ( -0.475 -2.887 0.000) 2.926 20.120 ( -0.138 3.829 0.000) 3.831 20.123 ( -0.311 3.181 0.000) 3.197 20.193 ( 3.659 5.497 0.000) 6.604 20.272 ( -4.033 -0.899 0.000) 4.132 20.456 ( 0.076 -1.775 0.000) 1.776 20.475 ( -2.399 -0.865 0.000) 2.550 20.806 ( 3.202 -13.839 0.000) 14.204 20.845 ( -1.080 -15.890 0.000) 15.927 21.464 ( 1.090 6.020 0.000) 6.118 21.493 ( -1.892 5.624 0.000) 5.934 21.637 ( 0.784 -1.397 0.000) 1.602 21.648 ( -0.324 -2.346 0.000) 2.368 ======================= Grid point 9 (7/40) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 18.966 0.000) 18.966 1.275 ( 0.000 8.248 0.000) 8.248 1.420 ( 0.000 -5.976 0.000) 5.976 1.552 ( 0.000 26.428 0.000) 26.428 1.575 ( 0.000 -13.624 0.000) 13.624 1.977 ( 0.000 13.022 0.000) 13.022 2.050 ( 0.000 8.786 0.000) 8.786 2.069 ( 0.000 -26.509 0.000) 26.509 2.313 ( 0.000 7.068 0.000) 7.068 2.382 ( 0.000 12.760 0.000) 12.760 2.430 ( 0.000 -4.235 0.000) 4.235 2.553 ( 0.000 -9.164 0.000) 9.164 2.566 ( 0.000 -10.333 0.000) 10.333 2.643 ( 0.000 -13.292 0.000) 13.292 2.830 ( 0.000 -4.133 0.000) 4.133 2.842 ( 0.000 -5.837 0.000) 5.837 2.958 ( 0.000 13.491 0.000) 13.491 3.148 ( 0.000 -5.379 0.000) 5.379 3.331 ( 0.000 9.761 0.000) 9.761 3.476 ( 0.000 -0.190 0.000) 0.190 3.486 ( 0.000 -1.657 0.000) 1.657 3.495 ( 0.000 -5.376 0.000) 5.376 3.590 ( 0.000 2.801 0.000) 2.801 3.611 ( 0.000 0.868 0.000) 0.868 3.660 ( 0.000 5.924 0.000) 5.924 3.722 ( 0.000 0.093 0.000) 0.093 3.749 ( 0.000 3.616 0.000) 3.616 3.783 ( 0.000 1.785 0.000) 1.785 3.893 ( 0.000 8.586 0.000) 8.586 3.989 ( 0.000 5.150 0.000) 5.150 4.003 ( 0.000 14.245 0.000) 14.245 4.087 ( 0.000 10.061 0.000) 10.061 4.114 ( 0.000 -0.882 0.000) 0.882 4.206 ( 0.000 5.480 0.000) 5.480 4.287 ( 0.000 -0.777 0.000) 0.777 4.337 ( 0.000 -4.492 0.000) 4.492 4.498 ( 0.000 4.645 0.000) 4.645 4.508 ( 0.000 -7.850 0.000) 7.850 4.528 ( 0.000 7.180 0.000) 7.180 4.543 ( 0.000 -0.726 0.000) 0.726 4.750 ( 0.000 -3.189 0.000) 3.189 4.756 ( 0.000 2.687 0.000) 2.687 4.775 ( 0.000 -0.324 0.000) 0.324 4.868 ( 0.000 -17.763 0.000) 17.763 4.936 ( 0.000 4.460 0.000) 4.460 5.004 ( 0.000 -3.574 0.000) 3.574 5.145 ( 0.000 -0.896 0.000) 0.896 5.230 ( 0.000 -9.067 0.000) 9.067 5.417 ( 0.000 0.283 0.000) 0.283 5.543 ( 0.000 -11.123 0.000) 11.123 5.641 ( 0.000 11.393 0.000) 11.393 5.729 ( 0.000 13.627 0.000) 13.627 5.730 ( 0.000 11.990 0.000) 11.990 5.774 ( 0.000 4.042 0.000) 4.042 5.887 ( 0.000 -7.216 0.000) 7.216 5.957 ( 0.000 9.235 0.000) 9.235 5.983 ( 0.000 -13.012 0.000) 13.012 6.051 ( 0.000 -0.866 0.000) 0.866 6.182 ( 0.000 -9.010 0.000) 9.010 6.220 ( 0.000 -14.629 0.000) 14.629 6.389 ( 0.000 4.729 0.000) 4.729 6.456 ( 0.000 2.025 0.000) 2.025 6.463 ( 0.000 -1.728 0.000) 1.728 6.496 ( 0.000 -1.575 0.000) 1.575 6.655 ( 0.000 -2.584 0.000) 2.584 6.711 ( 0.000 -7.296 0.000) 7.296 6.985 ( 0.000 0.808 0.000) 0.808 7.008 ( 0.000 -1.062 0.000) 1.062 7.756 ( 0.000 3.146 0.000) 3.146 7.817 ( 0.000 -3.683 0.000) 3.683 7.844 ( 0.000 7.030 0.000) 7.030 7.953 ( 0.000 -4.016 0.000) 4.016 8.787 ( 0.000 -1.702 0.000) 1.702 8.795 ( 0.000 -2.588 0.000) 2.588 8.921 ( 0.000 0.985 0.000) 0.985 8.930 ( 0.000 0.263 0.000) 0.263 9.219 ( 0.000 1.048 0.000) 1.048 9.227 ( 0.000 0.053 0.000) 0.053 9.239 ( 0.000 2.646 0.000) 2.646 9.248 ( 0.000 1.049 0.000) 1.049 9.411 ( 0.000 4.885 0.000) 4.885 9.448 ( 0.000 5.334 0.000) 5.334 9.453 ( 0.000 4.412 0.000) 4.412 9.523 ( 0.000 -5.916 0.000) 5.916 9.638 ( 0.000 -3.450 0.000) 3.450 9.644 ( 0.000 -4.596 0.000) 4.596 9.692 ( 0.000 0.775 0.000) 0.775 9.725 ( 0.000 -2.763 0.000) 2.763 9.778 ( 0.000 -0.922 0.000) 0.922 9.825 ( 0.000 -5.365 0.000) 5.365 9.862 ( 0.000 1.811 0.000) 1.811 9.930 ( 0.000 -4.843 0.000) 4.843 10.192 ( 0.000 4.728 0.000) 4.728 10.287 ( 0.000 -5.133 0.000) 5.133 10.316 ( 0.000 1.405 0.000) 1.405 10.338 ( 0.000 -0.971 0.000) 0.971 10.420 ( 0.000 6.417 0.000) 6.417 10.483 ( 0.000 1.250 0.000) 1.250 10.485 ( 0.000 0.644 0.000) 0.644 10.502 ( 0.000 -2.272 0.000) 2.272 10.946 ( 0.000 3.663 0.000) 3.663 10.964 ( 0.000 7.926 0.000) 7.926 11.012 ( 0.000 -2.850 0.000) 2.850 11.037 ( 0.000 9.909 0.000) 9.909 11.072 ( 0.000 -3.754 0.000) 3.754 11.143 ( 0.000 5.369 0.000) 5.369 11.224 ( 0.000 -8.891 0.000) 8.891 11.257 ( 0.000 -5.867 0.000) 5.867 11.493 ( 0.000 12.283 0.000) 12.283 11.688 ( 0.000 11.734 0.000) 11.734 11.726 ( 0.000 -11.639 0.000) 11.639 11.926 ( 0.000 -13.025 0.000) 13.025 12.039 ( 0.000 12.694 0.000) 12.694 12.088 ( 0.000 11.933 0.000) 11.933 12.280 ( 0.000 -12.131 0.000) 12.131 12.298 ( 0.000 -9.288 0.000) 9.288 13.285 ( 0.000 2.442 0.000) 2.442 13.296 ( 0.000 -0.319 0.000) 0.319 13.307 ( 0.000 -1.229 0.000) 1.229 13.311 ( 0.000 0.376 0.000) 0.376 13.706 ( 0.000 8.102 0.000) 8.102 13.811 ( 0.000 10.231 0.000) 10.231 13.828 ( 0.000 -3.437 0.000) 3.437 14.010 ( 0.000 -9.949 0.000) 9.949 14.639 ( 0.000 14.760 0.000) 14.760 14.888 ( 0.000 8.601 0.000) 8.601 14.918 ( 0.000 -13.637 0.000) 13.637 15.056 ( 0.000 -8.032 0.000) 8.032 15.173 ( 0.000 8.240 0.000) 8.240 15.372 ( 0.000 -11.233 0.000) 11.233 15.616 ( 0.000 -0.654 0.000) 0.654 15.650 ( 0.000 -3.848 0.000) 3.848 16.116 ( 0.000 8.589 0.000) 8.589 16.151 ( 0.000 4.922 0.000) 4.922 16.276 ( 0.000 -7.675 0.000) 7.675 16.279 ( 0.000 -7.568 0.000) 7.568 17.083 ( 0.000 5.272 0.000) 5.272 17.109 ( 0.000 2.506 0.000) 2.506 17.125 ( 0.000 0.829 0.000) 0.829 17.153 ( 0.000 -1.818 0.000) 1.818 19.332 ( 0.000 2.429 0.000) 2.429 19.353 ( 0.000 0.912 0.000) 0.912 19.387 ( 0.000 -2.380 0.000) 2.380 19.392 ( 0.000 -3.580 0.000) 3.580 20.183 ( 0.000 2.452 0.000) 2.452 20.211 ( 0.000 4.291 0.000) 4.291 20.229 ( 0.000 -2.977 0.000) 2.977 20.248 ( 0.000 2.043 0.000) 2.043 20.427 ( 0.000 1.117 0.000) 1.117 20.494 ( 0.000 1.448 0.000) 1.448 20.566 ( 0.000 -12.365 0.000) 12.365 20.584 ( 0.000 -7.430 0.000) 7.430 21.553 ( 0.000 4.008 0.000) 4.008 21.585 ( 0.000 2.404 0.000) 2.404 21.609 ( 0.000 -2.149 0.000) 2.149 21.615 ( 0.000 -0.933 0.000) 0.933 ======================= Grid point 10 (8/40) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -1.838 15.608 0.000) 15.716 1.234 ( -1.788 19.720 0.000) 19.800 1.506 ( 5.445 -11.984 0.000) 13.163 1.568 ( -1.316 -14.525 0.000) 14.584 1.618 ( 6.877 24.452 0.000) 25.400 1.793 ( -11.296 20.258 0.000) 23.194 2.096 ( 2.472 -23.369 0.000) 23.499 2.127 ( 0.722 -9.179 0.000) 9.207 2.358 ( 4.567 6.220 0.000) 7.717 2.415 ( -0.099 5.523 0.000) 5.524 2.435 ( 0.704 -1.792 0.000) 1.925 2.497 ( -4.358 -3.697 0.000) 5.715 2.587 ( 5.471 -0.364 0.000) 5.483 2.712 ( 6.516 -10.545 0.000) 12.396 2.751 ( -7.719 -1.648 0.000) 7.893 2.818 ( -3.765 -8.051 0.000) 8.888 3.089 ( 11.747 10.823 0.000) 15.973 3.231 ( 6.402 -5.007 0.000) 8.128 3.293 ( -8.760 3.607 0.000) 9.473 3.323 ( -9.260 -1.662 0.000) 9.408 3.358 ( 3.747 3.437 0.000) 5.085 3.383 ( -2.000 1.247 0.000) 2.357 3.516 ( -14.691 5.573 0.000) 15.713 3.560 ( -11.827 1.857 0.000) 11.971 3.785 ( 8.488 6.124 0.000) 10.467 3.807 ( 8.381 4.495 0.000) 9.510 3.829 ( 5.896 1.131 0.000) 6.003 3.833 ( 6.129 2.353 0.000) 6.565 3.960 ( 8.996 6.350 0.000) 11.011 4.002 ( -0.852 5.844 0.000) 5.906 4.053 ( -4.318 8.733 0.000) 9.742 4.135 ( 2.624 5.880 0.000) 6.439 4.142 ( 7.853 -0.255 0.000) 7.857 4.143 ( -5.020 6.584 0.000) 8.279 4.194 ( -8.597 -2.276 0.000) 8.893 4.280 ( -5.520 -2.931 0.000) 6.250 4.457 ( -0.022 0.369 0.000) 0.369 4.491 ( -2.244 -4.557 0.000) 5.080 4.508 ( -1.252 -2.812 0.000) 3.078 4.528 ( -2.444 -1.890 0.000) 3.089 4.781 ( 2.251 3.016 0.000) 3.764 4.820 ( -1.575 -4.346 0.000) 4.622 4.829 ( 3.603 -2.054 0.000) 4.147 4.846 ( 4.579 -3.933 0.000) 6.036 4.930 ( 2.562 5.932 0.000) 6.462 5.070 ( -7.555 0.898 0.000) 7.608 5.085 ( 5.531 -8.317 0.000) 9.989 5.183 ( -4.562 -9.170 0.000) 10.242 5.467 ( 5.530 4.172 0.000) 6.927 5.597 ( -6.511 9.504 0.000) 11.520 5.623 ( 5.867 -7.522 0.000) 9.539 5.674 ( -1.683 9.415 0.000) 9.564 5.744 ( 2.860 6.501 0.000) 7.102 5.807 ( 2.384 3.108 0.000) 3.917 5.857 ( -2.604 -1.297 0.000) 2.909 5.880 ( -9.064 -10.265 0.000) 13.694 5.980 ( 1.968 4.949 0.000) 5.326 6.021 ( -2.347 1.444 0.000) 2.756 6.207 ( 1.758 -11.908 0.000) 12.037 6.224 ( 0.043 -14.557 0.000) 14.557 6.404 ( 1.254 4.204 0.000) 4.387 6.434 ( -1.842 3.428 0.000) 3.891 6.476 ( 1.058 -2.489 0.000) 2.705 6.493 ( -0.553 -2.392 0.000) 2.455 6.752 ( 9.021 -1.040 0.000) 9.081 6.796 ( 7.721 -4.831 0.000) 9.108 6.920 ( -7.127 0.032 0.000) 7.127 6.938 ( -6.557 -1.557 0.000) 6.740 7.775 ( 1.925 3.667 0.000) 4.142 7.818 ( -2.335 5.553 0.000) 6.024 7.845 ( 2.847 -3.884 0.000) 4.816 7.912 ( -3.745 -4.184 0.000) 5.616 8.808 ( 2.850 1.271 0.000) 3.120 8.856 ( 4.507 -3.255 0.000) 5.559 8.871 ( -3.493 2.850 0.000) 4.508 8.925 ( -2.188 -2.410 0.000) 3.255 9.238 ( 1.775 1.081 0.000) 2.078 9.251 ( 2.144 -0.314 0.000) 2.167 9.256 ( 0.544 1.266 0.000) 1.378 9.259 ( 1.342 1.804 0.000) 2.249 9.361 ( -3.356 4.887 0.000) 5.929 9.366 ( -3.861 5.848 0.000) 7.008 9.451 ( -2.033 -1.875 0.000) 2.766 9.465 ( -3.823 -5.131 0.000) 6.399 9.653 ( 3.468 1.152 0.000) 3.654 9.697 ( -0.470 1.366 0.000) 1.444 9.716 ( 3.417 -3.508 0.000) 4.897 9.747 ( 0.324 -3.110 0.000) 3.127 9.810 ( 3.114 -0.020 0.000) 3.114 9.860 ( -1.114 1.400 0.000) 1.790 9.869 ( 3.787 -5.858 0.000) 6.975 9.920 ( -1.304 -4.594 0.000) 4.776 10.183 ( -0.119 4.247 0.000) 4.249 10.232 ( -5.561 1.933 0.000) 5.887 10.271 ( -1.208 -4.705 0.000) 4.858 10.279 ( -2.953 -2.957 0.000) 4.180 10.438 ( 1.840 6.053 0.000) 6.327 10.476 ( -1.517 4.221 0.000) 4.485 10.519 ( 1.452 -2.423 0.000) 2.825 10.527 ( 1.455 -1.201 0.000) 1.887 10.943 ( 0.481 6.800 0.000) 6.817 10.968 ( -1.171 8.450 0.000) 8.530 11.011 ( 0.808 5.064 0.000) 5.129 11.046 ( -0.026 -1.185 0.000) 1.186 11.114 ( 2.528 -1.309 0.000) 2.847 11.124 ( 0.740 0.404 0.000) 0.843 11.190 ( -3.670 -3.325 0.000) 4.953 11.199 ( -2.647 -7.924 0.000) 8.354 11.591 ( 6.386 10.231 0.000) 12.060 11.669 ( -2.199 11.379 0.000) 11.590 11.790 ( 5.496 -9.330 0.000) 10.829 11.885 ( -4.059 -9.945 0.000) 10.741 12.055 ( 1.645 10.604 0.000) 10.731 12.083 ( -0.864 9.605 0.000) 9.644 12.277 ( -0.102 -11.373 0.000) 11.374 12.286 ( -0.954 -9.849 0.000) 9.895 13.286 ( 0.116 1.935 0.000) 1.939 13.290 ( -0.346 0.631 0.000) 0.720 13.312 ( 0.235 -1.020 0.000) 1.047 13.313 ( 0.098 -0.120 0.000) 0.155 13.728 ( 2.361 8.722 0.000) 9.036 13.782 ( -2.809 9.739 0.000) 10.136 13.869 ( 4.181 -4.880 0.000) 6.426 13.961 ( -4.719 -8.148 0.000) 9.415 14.661 ( 2.618 14.791 0.000) 15.021 14.754 ( -7.771 13.573 0.000) 15.640 14.936 ( 2.074 -13.371 0.000) 13.530 14.998 ( -4.399 -11.693 0.000) 12.493 15.360 ( 13.008 2.578 0.000) 13.261 15.467 ( 7.795 -7.786 0.000) 11.018 15.552 ( -6.966 -0.487 0.000) 6.983 15.599 ( -5.404 -4.760 0.000) 7.201 16.123 ( 0.744 7.861 0.000) 7.896 16.141 ( -0.972 6.026 0.000) 6.104 16.277 ( 0.088 -7.676 0.000) 7.676 16.278 ( -0.068 -7.624 0.000) 7.624 17.087 ( 0.435 4.841 0.000) 4.860 17.098 ( -0.733 3.646 0.000) 3.719 17.137 ( 0.792 -0.277 0.000) 0.839 17.149 ( -0.447 -1.412 0.000) 1.481 19.337 ( 0.491 2.073 0.000) 2.130 19.348 ( -0.516 1.326 0.000) 1.423 19.389 ( 0.149 -2.721 0.000) 2.725 19.391 ( -0.098 -3.310 0.000) 3.312 20.186 ( 0.378 3.070 0.000) 3.093 20.198 ( -0.942 4.077 0.000) 4.185 20.238 ( 0.810 -2.324 0.000) 2.461 20.249 ( -0.218 0.006 0.000) 0.218 20.440 ( 1.377 2.014 0.000) 2.440 20.473 ( -1.902 2.219 0.000) 2.923 20.574 ( 0.672 -11.342 0.000) 11.362 20.583 ( -0.254 -9.002 0.000) 9.005 21.560 ( 0.687 3.735 0.000) 3.797 21.575 ( -0.851 2.970 0.000) 3.090 21.611 ( 0.174 -1.918 0.000) 1.926 21.614 ( -0.116 -1.340 0.000) 1.345 ======================= Grid point 21 (9/40) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 0.000 26.056) 26.056 0.547 ( 0.000 0.000 28.093) 28.093 1.120 ( 0.000 0.000 52.675) 52.675 1.365 ( 0.000 0.000 -6.237) 6.237 1.454 ( 0.000 0.000 6.560) 6.560 1.699 ( 0.000 0.000 21.544) 21.544 1.736 ( 0.000 0.000 4.837) 4.837 2.011 ( 0.000 0.000 -0.133) 0.133 2.038 ( 0.000 0.000 0.867) 0.867 2.399 ( 0.000 0.000 31.151) 31.151 2.528 ( 0.000 0.000 1.022) 1.022 2.699 ( 0.000 0.000 -2.763) 2.763 2.709 ( 0.000 0.000 8.094) 8.094 2.761 ( 0.000 0.000 -0.455) 0.455 3.024 ( 0.000 0.000 3.766) 3.766 3.078 ( 0.000 0.000 -3.151) 3.151 3.081 ( 0.000 0.000 -8.360) 8.360 3.182 ( 0.000 0.000 -4.944) 4.944 3.359 ( 0.000 0.000 -5.194) 5.194 3.379 ( 0.000 0.000 -7.304) 7.304 3.414 ( 0.000 0.000 -4.817) 4.817 3.415 ( 0.000 0.000 -8.715) 8.715 3.489 ( 0.000 0.000 -2.568) 2.568 3.494 ( 0.000 0.000 -10.276) 10.276 3.516 ( 0.000 0.000 -4.415) 4.415 3.570 ( 0.000 0.000 1.812) 1.812 3.651 ( 0.000 0.000 -5.346) 5.346 3.677 ( 0.000 0.000 3.407) 3.407 3.765 ( 0.000 0.000 4.430) 4.430 3.831 ( 0.000 0.000 -6.582) 6.582 3.835 ( 0.000 0.000 -3.451) 3.451 3.975 ( 0.000 0.000 -0.633) 0.633 3.975 ( 0.000 0.000 -0.912) 0.912 4.072 ( 0.000 0.000 9.119) 9.119 4.167 ( 0.000 0.000 7.068) 7.068 4.316 ( 0.000 0.000 -14.123) 14.123 4.334 ( 0.000 0.000 5.560) 5.560 4.420 ( 0.000 0.000 -2.226) 2.226 4.447 ( 0.000 0.000 -8.843) 8.843 4.452 ( 0.000 0.000 16.709) 16.709 4.548 ( 0.000 0.000 16.606) 16.606 4.855 ( 0.000 0.000 7.831) 7.831 4.906 ( 0.000 0.000 -1.435) 1.435 5.101 ( 0.000 0.000 -10.663) 10.663 5.105 ( 0.000 0.000 -0.971) 0.971 5.144 ( 0.000 0.000 3.978) 3.978 5.228 ( 0.000 0.000 -0.869) 0.869 5.240 ( 0.000 0.000 16.635) 16.635 5.324 ( 0.000 0.000 -1.214) 1.214 5.488 ( 0.000 0.000 11.673) 11.673 5.556 ( 0.000 0.000 2.580) 2.580 5.605 ( 0.000 0.000 9.989) 9.989 5.781 ( 0.000 0.000 -2.911) 2.911 5.948 ( 0.000 0.000 -0.471) 0.471 5.950 ( 0.000 0.000 -1.757) 1.757 6.022 ( 0.000 0.000 2.278) 2.278 6.097 ( 0.000 0.000 -1.523) 1.523 6.327 ( 0.000 0.000 -0.094) 0.094 6.403 ( 0.000 0.000 -5.579) 5.579 6.455 ( 0.000 0.000 -4.661) 4.661 6.463 ( 0.000 0.000 -2.514) 2.514 6.505 ( 0.000 0.000 1.774) 1.774 6.691 ( 0.000 0.000 -1.862) 1.862 6.701 ( 0.000 0.000 4.180) 4.180 6.851 ( 0.000 0.000 7.184) 7.184 6.921 ( 0.000 0.000 -2.970) 2.970 7.176 ( 0.000 0.000 0.041) 0.041 7.188 ( 0.000 0.000 0.949) 0.949 7.372 ( 0.000 0.000 -2.814) 2.814 7.536 ( 0.000 0.000 -0.486) 0.486 7.919 ( 0.000 0.000 -2.957) 2.957 8.015 ( 0.000 0.000 -0.395) 0.395 8.720 ( 0.000 0.000 -10.085) 10.085 8.799 ( 0.000 0.000 -12.168) 12.168 8.939 ( 0.000 0.000 4.117) 4.117 9.043 ( 0.000 0.000 4.304) 4.304 9.170 ( 0.000 0.000 -1.623) 1.623 9.256 ( 0.000 0.000 7.931) 7.931 9.266 ( 0.000 0.000 6.464) 6.464 9.374 ( 0.000 0.000 10.933) 10.933 9.387 ( 0.000 0.000 10.882) 10.882 9.418 ( 0.000 0.000 11.995) 11.995 9.499 ( 0.000 0.000 12.393) 12.393 9.632 ( 0.000 0.000 -3.426) 3.426 9.694 ( 0.000 0.000 4.115) 4.115 9.809 ( 0.000 0.000 3.653) 3.653 9.873 ( 0.000 0.000 -5.460) 5.460 9.891 ( 0.000 0.000 -4.760) 4.760 9.978 ( 0.000 0.000 9.329) 9.329 10.007 ( 0.000 0.000 -3.953) 3.953 10.017 ( 0.000 0.000 16.184) 16.184 10.036 ( 0.000 0.000 -2.298) 2.298 10.203 ( 0.000 0.000 -2.811) 2.811 10.290 ( 0.000 0.000 -7.889) 7.889 10.331 ( 0.000 0.000 8.164) 8.164 10.352 ( 0.000 0.000 2.232) 2.232 10.358 ( 0.000 0.000 5.537) 5.537 10.363 ( 0.000 0.000 7.167) 7.167 10.488 ( 0.000 0.000 8.942) 8.942 10.518 ( 0.000 0.000 5.281) 5.281 10.592 ( 0.000 0.000 7.706) 7.706 10.704 ( 0.000 0.000 10.079) 10.079 10.875 ( 0.000 0.000 4.278) 4.278 10.943 ( 0.000 0.000 0.701) 0.701 11.089 ( 0.000 0.000 3.479) 3.479 11.120 ( 0.000 0.000 12.877) 12.877 11.172 ( 0.000 0.000 3.429) 3.429 11.350 ( 0.000 0.000 8.868) 8.868 11.395 ( 0.000 0.000 -3.277) 3.277 11.590 ( 0.000 0.000 3.785) 3.785 11.590 ( 0.000 0.000 5.404) 5.404 11.694 ( 0.000 0.000 4.137) 4.137 12.080 ( 0.000 0.000 3.880) 3.880 12.116 ( 0.000 0.000 -7.376) 7.376 12.505 ( 0.000 0.000 -0.588) 0.588 12.616 ( 0.000 0.000 -9.066) 9.066 12.848 ( 0.000 0.000 1.535) 1.535 12.870 ( 0.000 0.000 0.935) 0.935 13.186 ( 0.000 0.000 -0.274) 0.274 13.225 ( 0.000 0.000 -0.957) 0.957 13.492 ( 0.000 0.000 -5.308) 5.308 13.498 ( 0.000 0.000 -5.189) 5.189 13.915 ( 0.000 0.000 32.045) 32.045 14.276 ( 0.000 0.000 -6.558) 6.558 14.319 ( 0.000 0.000 -7.386) 7.386 14.972 ( 0.000 0.000 3.772) 3.772 15.404 ( 0.000 0.000 -6.300) 6.300 15.439 ( 0.000 0.000 -6.384) 6.384 15.562 ( 0.000 0.000 -5.866) 5.866 15.636 ( 0.000 0.000 -5.922) 5.922 15.726 ( 0.000 0.000 -0.425) 0.425 15.842 ( 0.000 0.000 -1.863) 1.863 15.897 ( 0.000 0.000 -2.370) 2.370 16.225 ( 0.000 0.000 -12.587) 12.587 16.338 ( 0.000 0.000 -4.914) 4.914 16.417 ( 0.000 0.000 -7.225) 7.225 16.902 ( 0.000 0.000 -4.054) 4.054 16.983 ( 0.000 0.000 -4.143) 4.143 16.985 ( 0.000 0.000 -4.592) 4.592 17.055 ( 0.000 0.000 -7.964) 7.964 19.303 ( 0.000 0.000 1.713) 1.713 19.485 ( 0.000 0.000 -0.164) 0.164 19.684 ( 0.000 0.000 0.910) 0.910 19.693 ( 0.000 0.000 0.884) 0.884 19.697 ( 0.000 0.000 15.196) 15.196 20.031 ( 0.000 0.000 -1.557) 1.557 20.046 ( 0.000 0.000 -1.619) 1.619 20.316 ( 0.000 0.000 -6.660) 6.660 20.471 ( 0.000 0.000 0.200) 0.200 20.666 ( 0.000 0.000 4.766) 4.766 21.149 ( 0.000 0.000 -1.413) 1.413 21.206 ( 0.000 0.000 -1.213) 1.213 21.307 ( 0.000 0.000 0.359) 0.359 21.365 ( 0.000 0.000 0.657) 0.657 21.616 ( 0.000 0.000 -1.531) 1.531 21.761 ( 0.000 0.000 -2.344) 2.344 ======================= Grid point 22 (10/40) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 15.608 0.000 20.147) 25.485 0.723 ( 19.533 0.000 17.729) 26.379 1.054 ( -21.370 0.000 5.446) 22.053 1.133 ( -22.825 0.000 10.187) 24.995 1.431 ( 26.079 0.000 45.539) 52.477 1.854 ( -5.348 0.000 23.943) 24.533 1.912 ( 6.292 0.000 1.481) 6.464 1.979 ( -2.545 0.000 0.137) 2.549 2.168 ( 14.693 0.000 2.204) 14.858 2.208 ( -2.588 0.000 20.119) 20.285 2.447 ( -17.334 0.000 -0.499) 17.341 2.454 ( -11.924 0.000 1.142) 11.978 2.771 ( 6.856 0.000 -1.327) 6.983 2.801 ( 7.806 0.000 6.100) 9.907 2.964 ( -10.828 0.000 -4.892) 11.882 2.969 ( -6.719 0.000 3.748) 7.694 3.254 ( 3.443 0.000 -0.088) 3.444 3.261 ( 5.675 0.000 -7.187) 9.157 3.296 ( -1.943 0.000 -7.382) 7.634 3.338 ( -2.498 0.000 -7.921) 8.305 3.436 ( 2.223 0.000 -5.693) 6.111 3.437 ( 6.873 0.000 -3.772) 7.840 3.475 ( -1.366 0.000 -4.809) 4.999 3.528 ( 3.030 0.000 -7.558) 8.143 3.538 ( -1.076 0.000 1.378) 1.748 3.599 ( 3.278 0.000 -7.490) 8.176 3.602 ( -4.363 0.000 -5.857) 7.304 3.666 ( -2.899 0.000 -5.853) 6.532 3.852 ( 7.633 0.000 1.094) 7.711 3.879 ( 3.904 0.000 -2.957) 4.898 3.947 ( -2.883 0.000 -1.498) 3.249 3.950 ( -2.559 0.000 -1.617) 3.027 3.991 ( 8.530 0.000 -0.558) 8.548 4.102 ( 2.613 0.000 8.468) 8.862 4.132 ( -8.407 0.000 -0.564) 8.426 4.148 ( -1.920 0.000 7.479) 7.721 4.398 ( 3.077 0.000 -12.178) 12.561 4.450 ( -0.596 0.000 -14.508) 14.520 4.475 ( 2.224 0.000 16.734) 16.881 4.522 ( -2.418 0.000 16.672) 16.846 4.626 ( 12.454 0.000 -0.094) 12.455 4.810 ( -6.210 0.000 3.887) 7.326 4.908 ( 0.715 0.000 1.231) 1.423 4.960 ( -5.904 0.000 5.695) 8.203 5.081 ( -0.101 0.000 -0.295) 0.312 5.167 ( 2.154 0.000 3.022) 3.711 5.189 ( -9.070 0.000 8.007) 12.099 5.208 ( -1.908 0.000 0.657) 2.018 5.382 ( 5.591 0.000 5.974) 8.182 5.455 ( -1.898 0.000 7.643) 7.875 5.592 ( 3.709 0.000 1.157) 3.886 5.687 ( -6.249 0.000 -1.202) 6.364 5.696 ( 8.269 0.000 7.042) 10.862 5.863 ( -8.289 0.000 2.587) 8.683 6.058 ( 5.585 0.000 0.859) 5.651 6.091 ( 11.184 0.000 -2.862) 11.544 6.166 ( 1.066 0.000 1.174) 1.585 6.232 ( -3.363 0.000 -3.056) 4.544 6.311 ( -11.595 0.000 -3.732) 12.180 6.316 ( -6.182 0.000 -2.145) 6.544 6.533 ( 4.771 0.000 -2.498) 5.385 6.572 ( 2.025 0.000 -3.246) 3.825 6.714 ( 2.222 0.000 6.327) 6.706 6.787 ( 6.611 0.000 -2.528) 7.078 6.792 ( -4.999 0.000 7.259) 8.814 6.886 ( -3.708 0.000 -2.808) 4.651 7.181 ( 0.414 0.000 0.176) 0.450 7.187 ( -0.167 0.000 0.618) 0.640 7.423 ( 4.564 0.000 -1.842) 4.922 7.505 ( -3.410 0.000 -0.778) 3.498 7.940 ( 2.129 0.000 -2.436) 3.236 7.987 ( -2.520 0.000 -1.179) 2.782 8.744 ( 2.109 0.000 -10.311) 10.524 8.782 ( -1.694 0.000 -11.363) 11.488 8.956 ( 2.866 0.000 3.903) 4.842 9.035 ( -3.380 0.000 5.053) 6.079 9.159 ( 0.192 0.000 1.075) 1.092 9.201 ( -3.724 0.000 6.439) 7.439 9.283 ( 2.690 0.000 7.711) 8.167 9.341 ( -3.040 0.000 8.831) 9.340 9.349 ( 0.538 0.000 14.085) 14.095 9.425 ( -5.105 0.000 12.061) 13.097 9.518 ( 7.870 0.000 9.278) 12.166 9.667 ( -4.222 0.000 0.287) 4.232 9.678 ( 4.760 0.000 -0.744) 4.818 9.778 ( -0.670 0.000 -1.576) 1.713 9.795 ( -7.098 0.000 0.294) 7.104 9.833 ( -3.079 0.000 -0.327) 3.096 10.007 ( 0.992 0.000 1.798) 2.054 10.011 ( 0.274 0.000 -2.162) 2.179 10.066 ( 5.517 0.000 13.123) 14.235 10.124 ( 0.950 0.000 13.392) 13.425 10.222 ( 1.582 0.000 -2.853) 3.262 10.256 ( -2.147 0.000 -3.682) 4.262 10.345 ( 2.062 0.000 8.502) 8.748 10.373 ( 0.058 0.000 6.241) 6.241 10.390 ( 3.059 0.000 3.233) 4.451 10.420 ( 2.004 0.000 2.567) 3.257 10.514 ( 1.374 0.000 7.365) 7.492 10.551 ( 8.036 0.000 -0.229) 8.040 10.573 ( -2.490 0.000 7.551) 7.951 10.717 ( 1.869 0.000 9.442) 9.625 10.771 ( -13.637 0.000 -1.131) 13.684 10.793 ( -6.035 0.000 6.567) 8.919 11.133 ( 2.851 0.000 2.866) 4.042 11.167 ( -0.793 0.000 3.110) 3.210 11.172 ( 4.725 0.000 13.871) 14.654 11.296 ( -7.956 0.000 12.072) 14.458 11.428 ( 6.155 0.000 4.059) 7.373 11.537 ( -4.738 0.000 3.497) 5.889 11.616 ( 2.551 0.000 5.166) 5.761 11.669 ( -2.534 0.000 4.509) 5.172 12.050 ( 8.185 0.000 -6.613) 10.522 12.220 ( -5.888 0.000 -11.007) 12.482 12.576 ( 7.220 0.000 -4.877) 8.713 12.644 ( 0.338 0.000 -6.929) 6.937 12.854 ( 0.536 0.000 1.367) 1.469 12.865 ( -0.537 0.000 1.068) 1.196 13.194 ( 0.940 0.000 -1.090) 1.439 13.215 ( -0.995 0.000 -1.326) 1.658 13.493 ( 0.152 0.000 -5.273) 5.276 13.496 ( -0.151 0.000 -5.214) 5.216 14.009 ( 10.458 0.000 33.483) 35.078 14.255 ( -5.970 0.000 0.731) 6.015 14.316 ( 0.147 0.000 -4.854) 4.856 14.430 ( -23.817 0.000 31.732) 39.676 15.412 ( 0.796 0.000 -6.302) 6.352 15.429 ( -0.920 0.000 -6.340) 6.406 15.563 ( 0.358 0.000 -6.120) 6.131 15.574 ( -0.844 0.000 -5.689) 5.751 15.857 ( 1.418 0.000 -2.014) 2.463 15.884 ( -1.276 0.000 -2.264) 2.599 16.103 ( 12.580 0.000 -22.514) 25.790 16.210 ( -1.998 0.000 -15.568) 15.696 16.362 ( 2.414 0.000 -5.374) 5.891 16.404 ( -1.566 0.000 -7.178) 7.347 16.918 ( 1.578 0.000 -4.004) 4.304 16.954 ( -2.051 0.000 -4.075) 4.562 17.015 ( 1.897 0.000 -6.208) 6.491 17.044 ( -1.141 0.000 -7.600) 7.685 19.368 ( 5.083 0.000 -0.783) 5.143 19.449 ( -3.421 0.000 -0.613) 3.475 19.686 ( 0.214 0.000 0.903) 0.928 19.690 ( -0.215 0.000 0.891) 0.916 19.789 ( 9.717 0.000 16.937) 19.526 20.035 ( 0.357 0.000 -1.573) 1.613 20.042 ( -0.356 0.000 -1.604) 1.643 20.072 ( -20.578 0.000 15.938) 26.029 20.469 ( 0.100 0.000 0.612) 0.620 20.493 ( -3.688 0.000 3.389) 5.009 21.197 ( 1.967 0.000 -2.782) 3.407 21.217 ( 0.137 0.000 -1.755) 1.760 21.304 ( -0.228 0.000 0.346) 0.414 21.312 ( -1.784 0.000 0.910) 2.003 21.716 ( 4.053 0.000 -4.588) 6.122 21.755 ( -0.842 0.000 -2.858) 2.979 ======================= Grid point 24 (11/40) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 13.459 21.553) 25.410 0.784 ( 0.000 18.302 18.675) 26.148 1.255 ( 0.000 -4.158 -4.403) 6.056 1.420 ( 0.000 26.515 40.736) 48.606 1.491 ( 0.000 2.778 5.915) 6.535 1.756 ( 0.000 5.956 20.374) 21.227 1.855 ( 0.000 8.817 9.188) 12.734 1.990 ( 0.000 -1.755 1.444) 2.273 2.103 ( 0.000 5.661 1.736) 5.921 2.497 ( 0.000 7.327 20.004) 21.304 2.621 ( 0.000 2.667 -1.851) 3.246 2.688 ( 0.000 0.671 7.977) 8.005 2.701 ( 0.000 3.464 -0.457) 3.494 2.898 ( 0.000 9.787 0.242) 9.790 3.049 ( 0.000 3.482 -1.751) 3.897 3.108 ( 0.000 4.774 -2.037) 5.190 3.130 ( 0.000 -4.217 -3.523) 5.495 3.155 ( 0.000 -4.966 -8.103) 9.504 3.214 ( 0.000 -10.486 -1.916) 10.660 3.283 ( 0.000 0.890 -0.154) 0.903 3.307 ( 0.000 -2.915 -1.253) 3.173 3.309 ( 0.000 -9.737 -4.409) 10.688 3.471 ( 0.000 -2.772 -4.017) 4.880 3.505 ( 0.000 -2.216 -1.578) 2.721 3.549 ( 0.000 3.499 -7.106) 7.921 3.555 ( 0.000 1.891 -0.697) 2.016 3.642 ( 0.000 -0.694 -4.038) 4.098 3.700 ( 0.000 0.061 0.600) 0.603 3.769 ( 0.000 -3.189 -7.634) 8.273 3.783 ( 0.000 -0.942 0.150) 0.954 3.870 ( 0.000 1.576 3.018) 3.405 3.997 ( 0.000 3.067 -0.988) 3.222 4.017 ( 0.000 3.119 1.370) 3.407 4.054 ( 0.000 -3.414 -0.404) 3.438 4.218 ( 0.000 9.752 5.021) 10.969 4.272 ( 0.000 -3.139 3.152) 4.449 4.364 ( 0.000 3.163 2.951) 4.325 4.429 ( 0.000 -1.536 -7.509) 7.664 4.442 ( 0.000 4.845 10.759) 11.800 4.569 ( 0.000 7.099 4.998) 8.682 4.712 ( 0.000 10.709 -2.517) 11.001 4.824 ( 0.000 -3.597 9.210) 9.888 4.875 ( 0.000 -6.368 1.432) 6.527 4.899 ( 0.000 -0.557 4.519) 4.553 5.104 ( 0.000 0.688 -10.695) 10.717 5.174 ( 0.000 1.947 4.990) 5.357 5.277 ( 0.000 1.996 13.864) 14.007 5.309 ( 0.000 3.980 -2.961) 4.960 5.412 ( 0.000 3.420 3.051) 4.583 5.457 ( 0.000 -6.119 4.901) 7.840 5.505 ( 0.000 0.578 6.589) 6.614 5.601 ( 0.000 -0.869 9.822) 9.860 5.713 ( 0.000 -6.478 -2.058) 6.797 5.900 ( 0.000 -5.361 -1.981) 5.716 5.949 ( 0.000 -0.779 0.498) 0.925 6.043 ( 0.000 2.373 1.348) 2.729 6.084 ( 0.000 -1.516 -1.051) 1.844 6.289 ( 0.000 -3.296 -1.380) 3.573 6.349 ( 0.000 -5.995 -5.178) 7.921 6.419 ( 0.000 -3.431 -4.085) 5.335 6.461 ( 0.000 0.386 -2.993) 3.018 6.473 ( 0.000 -2.580 -0.870) 2.722 6.644 ( 0.000 -5.108 4.568) 6.853 6.684 ( 0.000 -3.091 0.076) 3.092 6.828 ( 0.000 -1.928 4.341) 4.750 6.960 ( 0.000 2.914 -1.488) 3.272 7.069 ( 0.000 -8.553 0.112) 8.553 7.104 ( 0.000 -6.030 1.434) 6.198 7.494 ( 0.000 8.811 -2.291) 9.104 7.586 ( 0.000 4.323 -1.321) 4.520 7.957 ( 0.000 2.164 -2.391) 3.225 8.014 ( 0.000 -2.751 -1.631) 3.198 8.748 ( 0.000 -0.660 -8.794) 8.819 8.749 ( 0.000 2.601 -8.743) 9.121 8.987 ( 0.000 0.193 4.295) 4.300 9.026 ( 0.000 -2.521 2.760) 3.738 9.185 ( 0.000 1.916 -2.443) 3.105 9.233 ( 0.000 -0.900 11.759) 11.793 9.246 ( 0.000 -1.079 7.930) 8.003 9.342 ( 0.000 0.996 6.272) 6.350 9.384 ( 0.000 0.262 9.807) 9.810 9.485 ( 0.000 -0.370 9.851) 9.858 9.514 ( 0.000 1.602 19.060) 19.127 9.674 ( 0.000 1.725 -0.451) 1.782 9.698 ( 0.000 2.500 2.055) 3.236 9.757 ( 0.000 -5.612 -2.629) 6.197 9.817 ( 0.000 0.941 1.823) 2.052 9.876 ( 0.000 -4.144 -4.304) 5.975 9.948 ( 0.000 -1.968 14.426) 14.560 9.952 ( 0.000 -4.798 3.451) 5.910 10.059 ( 0.000 3.946 2.719) 4.792 10.099 ( 0.000 7.394 5.438) 9.178 10.204 ( 0.000 -1.337 -5.810) 5.962 10.253 ( 0.000 -6.715 7.995) 10.441 10.320 ( 0.000 -1.864 13.036) 13.168 10.382 ( 0.000 3.544 5.060) 6.178 10.422 ( 0.000 5.545 -3.900) 6.779 10.424 ( 0.000 2.396 7.511) 7.884 10.499 ( 0.000 -0.203 3.744) 3.750 10.573 ( 0.000 1.159 7.685) 7.772 10.598 ( 0.000 7.893 4.829) 9.253 10.740 ( 0.000 4.370 7.217) 8.436 10.878 ( 0.000 0.448 3.701) 3.728 10.980 ( 0.000 3.026 0.598) 3.084 11.126 ( 0.000 4.356 4.188) 6.043 11.155 ( 0.000 0.812 4.980) 5.046 11.239 ( 0.000 7.332 4.602) 8.657 11.288 ( 0.000 -4.704 7.551) 8.897 11.379 ( 0.000 -1.755 -2.204) 2.817 11.562 ( 0.000 -2.223 4.871) 5.354 11.670 ( 0.000 7.909 6.748) 10.396 11.752 ( 0.000 5.615 3.957) 6.869 12.082 ( 0.000 -3.975 -3.419) 5.243 12.279 ( 0.000 9.260 -9.325) 13.142 12.419 ( 0.000 -6.654 -2.592) 7.141 12.549 ( 0.000 -4.733 -7.969) 9.268 12.946 ( 0.000 8.647 -2.244) 8.933 12.990 ( 0.000 9.459 -1.780) 9.625 13.210 ( 0.000 2.157 -1.437) 2.592 13.238 ( 0.000 1.200 -3.249) 3.463 13.508 ( 0.000 1.616 -3.602) 3.948 13.518 ( 0.000 2.927 -4.783) 5.608 13.961 ( 0.000 4.414 29.761) 30.086 14.272 ( 0.000 0.126 -7.494) 7.495 14.312 ( 0.000 -1.131 -6.738) 6.832 14.982 ( 0.000 1.369 3.555) 3.809 15.176 ( 0.000 -27.870 20.380) 34.526 15.319 ( 0.000 -12.370 -1.136) 12.422 15.338 ( 0.000 -8.074 -6.626) 10.444 15.614 ( 0.000 1.755 -5.764) 6.026 15.722 ( 0.000 5.544 -6.891) 8.845 15.758 ( 0.000 -8.532 -0.754) 8.565 15.841 ( 0.000 -3.932 -2.428) 4.621 16.151 ( 0.000 -7.834 -14.085) 16.117 16.377 ( 0.000 2.403 -4.485) 5.088 16.391 ( 0.000 -0.313 -2.163) 2.186 16.891 ( 0.000 -0.346 -4.390) 4.404 16.961 ( 0.000 -0.536 -5.310) 5.337 17.000 ( 0.000 1.599 -4.731) 4.994 17.064 ( 0.000 1.125 -7.454) 7.538 19.306 ( 0.000 0.357 1.781) 1.817 19.472 ( 0.000 -1.308 0.007) 1.308 19.506 ( 0.000 -6.679 7.230) 9.843 19.596 ( 0.000 -5.546 5.498) 7.809 19.967 ( 0.000 12.702 2.779) 13.003 20.050 ( 0.000 1.986 -1.722) 2.629 20.061 ( 0.000 1.546 -1.824) 2.391 20.315 ( 0.000 -1.970 -7.890) 8.132 20.479 ( 0.000 0.376 0.376) 0.532 20.636 ( 0.000 -2.932 4.743) 5.576 21.049 ( 0.000 -11.901 4.395) 12.687 21.119 ( 0.000 -9.228 -0.440) 9.239 21.325 ( 0.000 3.667 -1.101) 3.829 21.373 ( 0.000 4.739 -1.774) 5.060 21.614 ( 0.000 -0.264 -1.635) 1.657 21.705 ( 0.000 -4.572 -1.905) 4.952 ======================= Grid point 25 (12/40) ======================= q-point: ( 0.33 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 6.511 8.932 19.369) 22.301 0.895 ( -1.065 4.921 12.955) 13.899 1.038 ( -3.214 9.156 12.438) 15.775 1.294 ( -17.736 10.220 11.423) 23.441 1.683 ( 21.725 21.981 33.005) 45.216 1.864 ( 6.740 0.499 13.445) 15.048 1.986 ( 1.140 2.500 2.433) 3.670 2.028 ( 5.032 7.261 4.776) 10.043 2.245 ( 15.708 6.062 5.103) 17.593 2.312 ( -12.668 11.091 19.133) 25.486 2.431 ( -15.734 0.997 -1.831) 15.872 2.558 ( -15.247 7.217 2.783) 17.097 2.769 ( 7.380 -1.487 4.183) 8.613 2.901 ( 3.887 9.882 -1.215) 10.689 2.927 ( -5.868 -0.604 2.787) 6.524 3.039 ( -6.046 4.534 -5.751) 9.497 3.128 ( -1.255 -12.368 -5.464) 13.579 3.167 ( -4.789 -10.512 -3.630) 12.108 3.273 ( 5.797 -0.673 -3.644) 6.880 3.309 ( 4.342 -5.175 -2.076) 7.067 3.338 ( -0.182 -8.208 -5.348) 9.798 3.422 ( -5.654 -0.920 -2.161) 6.122 3.461 ( 9.336 2.154 -2.768) 9.973 3.491 ( 2.908 -1.312 -1.365) 3.470 3.533 ( 0.375 -1.592 -6.565) 6.765 3.598 ( -0.710 4.069 -3.489) 5.407 3.605 ( 0.283 -0.244 -3.882) 3.900 3.670 ( -3.013 0.587 -4.882) 5.767 3.861 ( 6.021 -4.583 -0.148) 7.568 3.882 ( 5.411 -0.705 -2.115) 5.852 3.911 ( 2.349 0.757 0.643) 2.551 3.956 ( -2.992 0.693 -1.217) 3.304 4.022 ( 2.617 2.946 -1.859) 4.357 4.086 ( -2.629 -1.634 2.819) 4.187 4.167 ( -0.988 4.054 -2.188) 4.712 4.223 ( -2.719 5.505 6.383) 8.857 4.364 ( 1.071 0.200 2.084) 2.352 4.414 ( -2.738 3.116 6.688) 7.870 4.513 ( 7.168 0.991 0.829) 7.283 4.642 ( -4.740 5.733 3.113) 8.064 4.704 ( 8.770 4.708 -0.736) 9.981 4.824 ( -0.224 0.503 6.522) 6.545 4.851 ( -1.600 -2.482 2.364) 3.782 4.868 ( -4.844 -3.021 3.628) 6.764 5.091 ( 1.243 4.371 -3.187) 5.551 5.174 ( -5.886 5.884 4.185) 9.315 5.222 ( 3.762 2.272 5.930) 7.382 5.323 ( -2.854 -4.314 4.921) 7.140 5.380 ( -1.864 2.833 4.315) 5.488 5.413 ( -1.970 -2.239 7.172) 7.767 5.559 ( 3.869 -2.474 1.665) 4.885 5.627 ( -2.853 -5.127 -0.030) 5.867 5.697 ( 6.185 -0.121 5.933) 8.571 5.851 ( -8.000 -1.196 2.555) 8.483 6.034 ( 10.401 -5.526 -2.514) 12.043 6.079 ( 3.918 1.348 0.659) 4.195 6.140 ( 1.568 -2.744 0.919) 3.291 6.225 ( -5.107 -2.844 -1.128) 5.954 6.255 ( -5.680 -2.558 -5.672) 8.425 6.325 ( -7.078 -0.464 -3.406) 7.868 6.503 ( 3.791 -2.610 -2.717) 5.344 6.531 ( 1.806 -3.363 -3.968) 5.506 6.657 ( 1.812 -4.927 5.666) 7.724 6.700 ( -1.129 -5.175 3.907) 6.582 6.847 ( 3.019 0.838 0.685) 3.207 6.918 ( -3.697 1.964 -1.512) 4.451 7.080 ( 0.915 -7.939 0.812) 8.033 7.097 ( -0.717 -6.780 1.355) 6.951 7.526 ( 2.730 7.710 -2.060) 8.434 7.571 ( -1.726 5.436 -1.578) 5.918 7.966 ( 1.023 1.307 -1.878) 2.506 7.993 ( -1.707 -0.986 -1.290) 2.356 8.741 ( 0.662 -0.763 -8.223) 8.285 8.760 ( -0.543 0.227 -9.148) 9.167 8.979 ( 1.123 0.351 3.941) 4.113 9.025 ( -2.100 -1.131 4.257) 4.880 9.179 ( 0.239 2.088 0.836) 2.262 9.206 ( -2.196 0.951 6.448) 6.878 9.269 ( 2.558 -0.539 9.264) 9.626 9.329 ( -1.789 -0.243 9.641) 9.808 9.385 ( -1.955 1.981 10.743) 11.098 9.442 ( -3.875 1.562 10.853) 11.630 9.502 ( 7.365 -0.540 8.380) 11.170 9.661 ( -6.262 -0.753 3.299) 7.118 9.717 ( 0.825 -3.107 0.396) 3.239 9.753 ( 0.532 -0.737 -1.524) 1.774 9.820 ( -0.237 3.428 0.710) 3.508 9.832 ( -1.731 2.813 0.947) 3.436 9.958 ( 3.811 -4.971 3.493) 7.172 10.001 ( -0.628 -3.602 5.928) 6.966 10.064 ( 2.359 -0.073 6.972) 7.361 10.111 ( -0.677 3.055 6.115) 6.869 10.203 ( 2.249 -0.607 2.674) 3.546 10.261 ( -1.411 -2.591 6.273) 6.933 10.340 ( -2.308 2.235 5.570) 6.430 10.351 ( -1.540 1.172 6.707) 6.980 10.418 ( 4.990 -5.921 8.716) 11.659 10.471 ( 0.370 -0.168 2.340) 2.375 10.516 ( 2.431 5.128 3.504) 6.670 10.565 ( -1.592 2.969 7.189) 7.939 10.633 ( 4.905 6.369 1.884) 8.256 10.753 ( 0.230 4.324 5.934) 7.346 10.787 ( -6.068 2.198 4.557) 7.901 10.862 ( -8.325 6.014 0.302) 10.274 11.157 ( 1.669 2.523 2.588) 3.981 11.164 ( 0.619 0.709 3.842) 3.955 11.280 ( 3.266 7.474 6.162) 10.223 11.348 ( -0.861 1.838 5.806) 6.150 11.377 ( 4.507 -3.364 3.481) 6.614 11.502 ( -5.886 -2.273 5.195) 8.173 11.678 ( 2.016 6.091 5.392) 8.381 11.728 ( -2.450 5.670 4.392) 7.579 12.100 ( 5.596 1.449 -5.402) 7.912 12.242 ( -7.008 0.188 -7.119) 9.991 12.485 ( 5.609 -5.731 -5.032) 9.467 12.549 ( -1.133 -6.356 -5.724) 8.628 12.975 ( 1.919 9.151 -2.825) 9.768 12.991 ( -0.030 9.538 -2.028) 9.751 13.212 ( 0.504 1.644 -2.296) 2.868 13.229 ( -0.977 1.160 -3.283) 3.617 13.509 ( 0.190 1.860 -3.764) 4.203 13.515 ( -0.307 2.564 -4.377) 5.082 14.056 ( 10.368 4.175 30.272) 32.270 14.264 ( -2.812 0.295 -2.939) 4.078 14.310 ( -0.015 -0.851 -5.437) 5.504 14.430 ( -23.495 1.411 28.016) 36.591 15.305 ( 1.124 -9.026 -6.513) 11.187 15.326 ( -1.087 -8.453 -6.519) 10.730 15.556 ( 6.994 -6.946 -4.882) 11.000 15.606 ( -0.925 0.991 -5.881) 6.035 15.764 ( 2.502 -7.492 -3.857) 8.790 15.800 ( -0.473 -7.677 -3.916) 8.631 15.922 ( 13.115 -8.076 -7.638) 17.192 16.106 ( -5.398 -9.760 -13.908) 17.828 16.379 ( 0.218 1.826 -3.698) 4.130 16.386 ( -0.468 0.412 -2.555) 2.630 16.904 ( 1.309 -0.430 -4.397) 4.607 16.935 ( -1.874 -0.491 -4.604) 4.995 17.027 ( 1.827 1.326 -6.038) 6.446 17.054 ( -1.013 1.182 -7.109) 7.277 19.348 ( 3.768 -1.211 1.238) 4.147 19.421 ( -3.734 -2.499 1.271) 4.670 19.546 ( 2.484 -5.507 5.776) 8.358 19.583 ( -1.408 -5.613 5.655) 8.091 20.019 ( 5.084 9.838 2.486) 11.350 20.056 ( -0.479 1.612 -1.708) 2.397 20.060 ( 1.699 3.848 -0.972) 4.317 20.208 ( -10.827 5.026 -0.821) 11.965 20.479 ( 0.234 0.674 1.098) 1.309 20.512 ( -4.899 1.767 5.136) 7.314 21.100 ( 2.367 -11.287 0.484) 11.543 21.121 ( -0.157 -10.033 -0.137) 10.035 21.331 ( 0.671 4.007 -1.212) 4.239 21.351 ( -1.456 4.698 -1.348) 5.100 21.661 ( 2.955 -3.412 -2.436) 5.129 21.696 ( -0.999 -4.492 -2.107) 5.061 ======================= Grid point 27 (13/40) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.000 17.536 13.221) 21.961 1.092 ( 0.000 13.082 6.895) 14.787 1.288 ( 0.000 10.339 9.019) 13.720 1.520 ( 0.000 -0.324 4.731) 4.742 1.791 ( 0.000 -1.198 7.101) 7.201 1.917 ( 0.000 10.288 17.833) 20.588 1.995 ( 0.000 9.586 12.502) 15.754 2.182 ( 0.000 25.168 18.972) 31.518 2.215 ( 0.000 5.597 2.580) 6.163 2.465 ( 0.000 -15.735 -3.331) 16.083 2.560 ( 0.000 -2.834 9.879) 10.277 2.717 ( 0.000 3.408 1.972) 3.938 2.772 ( 0.000 -3.636 5.547) 6.632 2.860 ( 0.000 -11.729 -6.517) 13.418 2.910 ( 0.000 -10.933 -0.428) 10.941 3.030 ( 0.000 -7.091 0.719) 7.127 3.083 ( 0.000 -11.460 4.103) 12.172 3.133 ( 0.000 10.590 0.153) 10.591 3.158 ( 0.000 0.909 -0.361) 0.977 3.386 ( 0.000 11.806 1.969) 11.970 3.412 ( 0.000 14.783 0.565) 14.793 3.423 ( 0.000 6.026 -3.292) 6.866 3.464 ( 0.000 0.924 -2.510) 2.675 3.555 ( 0.000 5.649 -4.251) 7.070 3.562 ( 0.000 -1.196 -3.477) 3.677 3.616 ( 0.000 8.256 -5.243) 9.780 3.675 ( 0.000 -2.098 -2.827) 3.521 3.687 ( 0.000 5.839 0.893) 5.906 3.723 ( 0.000 -0.044 -1.232) 1.233 3.754 ( 0.000 3.135 -7.896) 8.496 3.850 ( 0.000 -1.854 6.124) 6.398 4.021 ( 0.000 0.933 -0.156) 0.946 4.113 ( 0.000 4.356 1.108) 4.495 4.120 ( 0.000 7.305 1.739) 7.509 4.278 ( 0.000 3.519 -0.384) 3.540 4.345 ( 0.000 2.518 5.525) 6.071 4.411 ( 0.000 0.899 -3.652) 3.760 4.449 ( 0.000 4.905 -3.733) 6.164 4.516 ( 0.000 2.540 10.639) 10.938 4.711 ( 0.000 6.769 4.181) 7.956 4.767 ( 0.000 -0.999 4.816) 4.918 4.812 ( 0.000 -4.414 -1.044) 4.536 4.837 ( 0.000 -1.356 0.367) 1.404 4.908 ( 0.000 4.076 6.042) 7.289 5.086 ( 0.000 -4.368 -6.609) 7.922 5.153 ( 0.000 -10.304 1.155) 10.368 5.190 ( 0.000 -0.828 8.094) 8.136 5.415 ( 0.000 5.546 0.151) 5.548 5.415 ( 0.000 -3.498 -4.149) 5.427 5.487 ( 0.000 -5.201 0.575) 5.233 5.533 ( 0.000 5.142 6.742) 8.479 5.565 ( 0.000 7.354 8.786) 11.457 5.676 ( 0.000 6.038 6.456) 8.839 5.744 ( 0.000 -10.400 -1.873) 10.567 5.928 ( 0.000 -0.479 2.747) 2.789 6.025 ( 0.000 -4.863 0.508) 4.890 6.076 ( 0.000 -0.559 -1.675) 1.766 6.180 ( 0.000 -11.030 -4.647) 11.969 6.223 ( 0.000 -3.259 -3.833) 5.031 6.360 ( 0.000 -0.993 -0.637) 1.179 6.423 ( 0.000 -3.779 -4.825) 6.129 6.478 ( 0.000 1.108 -2.971) 3.171 6.507 ( 0.000 -7.217 4.781) 8.656 6.602 ( 0.000 -4.563 6.682) 8.091 6.768 ( 0.000 -4.454 2.620) 5.167 6.895 ( 0.000 -9.275 1.174) 9.349 7.001 ( 0.000 1.037 -0.871) 1.354 7.009 ( 0.000 -3.108 1.242) 3.347 7.651 ( 0.000 6.146 -2.643) 6.690 7.687 ( 0.000 6.880 -1.236) 6.990 7.907 ( 0.000 -5.922 -0.887) 5.988 7.987 ( 0.000 -0.292 -0.918) 0.963 8.774 ( 0.000 2.486 -6.667) 7.115 8.800 ( 0.000 2.224 -4.994) 5.466 8.945 ( 0.000 -3.350 6.144) 6.998 8.956 ( 0.000 -3.707 2.480) 4.460 9.238 ( 0.000 2.406 0.772) 2.526 9.247 ( 0.000 0.907 5.413) 5.488 9.256 ( 0.000 3.473 8.039) 8.757 9.383 ( 0.000 2.095 5.622) 6.000 9.399 ( 0.000 1.475 6.593) 6.756 9.491 ( 0.000 1.035 9.871) 9.925 9.499 ( 0.000 -0.650 18.171) 18.183 9.652 ( 0.000 -5.504 -1.636) 5.742 9.695 ( 0.000 0.857 2.265) 2.422 9.720 ( 0.000 -2.069 1.860) 2.782 9.826 ( 0.000 -0.143 2.746) 2.749 9.826 ( 0.000 -0.329 2.572) 2.593 9.872 ( 0.000 -3.537 6.644) 7.526 9.910 ( 0.000 -2.149 14.893) 15.047 10.081 ( 0.000 -7.362 8.496) 11.242 10.142 ( 0.000 4.019 4.527) 6.054 10.149 ( 0.000 -4.520 1.589) 4.791 10.282 ( 0.000 8.100 3.864) 8.974 10.311 ( 0.000 1.109 10.617) 10.675 10.394 ( 0.000 -2.600 2.299) 3.470 10.443 ( 0.000 0.315 8.541) 8.547 10.478 ( 0.000 2.542 3.523) 4.344 10.532 ( 0.000 2.589 5.938) 6.478 10.603 ( 0.000 1.206 7.830) 7.922 10.787 ( 0.000 10.141 0.392) 10.149 10.868 ( 0.000 8.007 3.888) 8.901 10.900 ( 0.000 1.982 1.726) 2.628 11.044 ( 0.000 3.775 1.783) 4.175 11.155 ( 0.000 -0.863 3.751) 3.849 11.181 ( 0.000 -2.469 7.668) 8.055 11.298 ( 0.000 9.352 2.616) 9.711 11.311 ( 0.000 -3.096 -2.785) 4.164 11.352 ( 0.000 -0.735 1.212) 1.417 11.558 ( 0.000 3.986 5.889) 7.111 11.848 ( 0.000 9.704 4.598) 10.738 11.901 ( 0.000 9.533 3.402) 10.122 11.960 ( 0.000 -8.183 2.088) 8.445 12.194 ( 0.000 -10.365 1.576) 10.484 12.398 ( 0.000 -1.317 -3.984) 4.196 12.448 ( 0.000 -6.398 -4.040) 7.566 13.099 ( 0.000 6.241 -7.940) 10.100 13.149 ( 0.000 5.657 -5.686) 8.021 13.238 ( 0.000 -0.008 -6.269) 6.269 13.256 ( 0.000 0.318 -5.789) 5.798 13.597 ( 0.000 8.087 2.104) 8.356 13.623 ( 0.000 8.556 -1.909) 8.766 14.027 ( 0.000 0.155 19.709) 19.710 14.245 ( 0.000 -6.491 -0.308) 6.499 14.334 ( 0.000 8.053 -6.962) 10.645 14.831 ( 0.000 -7.057 9.507) 11.840 15.038 ( 0.000 4.554 2.625) 5.257 15.093 ( 0.000 -12.453 -6.471) 14.034 15.167 ( 0.000 -9.283 -7.681) 12.048 15.568 ( 0.000 -10.563 -1.330) 10.646 15.601 ( 0.000 -3.083 -5.575) 6.371 15.690 ( 0.000 -5.791 -5.587) 8.047 15.903 ( 0.000 7.789 -4.926) 9.216 16.036 ( 0.000 -1.489 -8.656) 8.783 16.362 ( 0.000 -4.211 -2.911) 5.119 16.363 ( 0.000 -4.537 -4.305) 6.254 16.927 ( 0.000 4.328 -5.105) 6.693 16.989 ( 0.000 3.285 -5.878) 6.734 17.041 ( 0.000 2.392 -4.954) 5.501 17.090 ( 0.000 1.227 -6.828) 6.937 19.319 ( 0.000 1.145 1.971) 2.279 19.415 ( 0.000 -2.943 5.273) 6.038 19.439 ( 0.000 -1.971 0.591) 2.057 19.506 ( 0.000 -4.382 4.177) 6.054 20.100 ( 0.000 2.624 -2.449) 3.589 20.105 ( 0.000 3.358 -2.365) 4.108 20.136 ( 0.000 5.291 -1.902) 5.623 20.248 ( 0.000 -4.026 -5.800) 7.060 20.477 ( 0.000 -0.602 2.399) 2.473 20.570 ( 0.000 -3.274 4.704) 5.731 20.815 ( 0.000 -11.266 4.668) 12.195 20.872 ( 0.000 -14.988 1.699) 15.084 21.424 ( 0.000 5.713 -2.595) 6.274 21.478 ( 0.000 5.050 -3.286) 6.025 21.607 ( 0.000 -0.517 -1.911) 1.980 21.631 ( 0.000 -2.833 -1.899) 3.411 ======================= Grid point 28 (14/40) ======================= q-point: ( 0.33 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.594 17.242 12.599) 21.363 1.034 ( -6.515 11.694 9.220) 16.255 1.313 ( 7.556 16.938 13.090) 22.701 1.499 ( -8.547 10.356 6.969) 15.128 1.816 ( 2.414 -5.785 7.920) 10.100 1.846 ( 0.712 -3.671 9.873) 10.558 2.171 ( 9.577 7.385 6.946) 13.946 2.267 ( 9.517 18.195 16.392) 26.274 2.357 ( 0.796 -0.090 1.669) 1.851 2.412 ( 7.022 4.444 7.061) 10.905 2.489 ( -8.617 0.763 7.823) 11.663 2.668 ( -10.161 0.358 7.083) 12.391 2.781 ( 5.640 2.569 0.981) 6.275 2.814 ( -3.902 -12.019 -4.331) 13.358 2.823 ( -2.524 -12.394 0.334) 12.653 2.983 ( -11.024 3.365 1.986) 11.696 3.119 ( 3.117 -5.805 4.472) 7.963 3.152 ( -0.085 1.658 0.350) 1.697 3.212 ( 6.425 7.248 -1.157) 9.755 3.297 ( 4.683 3.795 1.860) 6.309 3.333 ( -5.584 3.462 -2.671) 7.092 3.382 ( -4.704 -3.049 -1.034) 5.700 3.417 ( -4.685 2.799 -2.002) 5.813 3.467 ( -7.302 -1.157 -4.430) 8.619 3.619 ( 1.347 2.032 -1.734) 2.992 3.667 ( 4.180 8.779 -3.682) 10.398 3.686 ( 0.452 6.166 -5.065) 7.992 3.727 ( 1.875 5.383 -4.019) 6.974 3.798 ( 6.451 0.915 -0.756) 6.559 3.847 ( 3.719 -0.508 -4.006) 5.489 3.920 ( 5.613 1.306 -0.712) 5.807 4.003 ( -3.132 1.944 -3.883) 5.354 4.058 ( 2.183 4.495 3.341) 6.012 4.145 ( -3.401 4.251 0.564) 5.473 4.246 ( -1.692 3.425 -0.149) 3.823 4.294 ( -5.016 2.587 2.666) 6.242 4.436 ( 1.143 4.684 1.593) 5.078 4.449 ( 1.867 0.300 0.899) 2.094 4.558 ( 5.107 2.845 7.187) 9.264 4.688 ( -6.479 -1.551 4.362) 7.963 4.785 ( 5.473 5.763 7.017) 10.602 4.842 ( 2.423 -0.210 0.358) 2.458 4.868 ( 0.656 2.846 -3.526) 4.579 4.877 ( -2.606 2.399 3.915) 5.280 5.089 ( 0.688 -8.026 0.218) 8.058 5.125 ( -2.622 -11.539 2.781) 12.156 5.232 ( 4.800 0.826 5.589) 7.413 5.348 ( -6.198 5.257 3.111) 8.702 5.391 ( -1.191 -1.097 -2.618) 3.079 5.416 ( -3.926 -1.361 -0.810) 4.233 5.557 ( 1.233 3.042 5.528) 6.429 5.570 ( -0.070 6.075 6.430) 8.846 5.721 ( 4.549 3.105 4.338) 7.011 5.804 ( -0.890 -5.325 -1.236) 5.539 5.911 ( 4.907 -4.605 2.151) 7.065 6.053 ( 1.321 -5.037 0.034) 5.207 6.065 ( -4.544 -5.944 -1.028) 7.552 6.094 ( -4.603 -7.658 -1.456) 9.053 6.240 ( 2.753 -0.668 -4.879) 5.642 6.318 ( -4.354 -0.487 -3.279) 5.472 6.447 ( 2.388 -3.356 -3.058) 5.130 6.478 ( -0.383 -1.445 -2.853) 3.221 6.547 ( 3.111 -5.385 6.142) 8.741 6.595 ( -1.465 -5.316 6.038) 8.177 6.820 ( 5.171 -3.169 0.767) 6.114 6.911 ( -0.907 -4.515 -0.465) 4.629 6.954 ( -1.932 -3.114 1.501) 3.960 6.988 ( -2.358 -3.823 1.341) 4.688 7.665 ( 1.236 5.993 -2.343) 6.553 7.683 ( -0.544 6.387 -1.654) 6.620 7.927 ( 1.959 -4.615 -0.767) 5.072 7.967 ( -1.956 -1.811 -0.828) 2.792 8.760 ( -0.349 2.389 -4.857) 5.424 8.777 ( -1.813 2.034 -4.199) 5.006 8.961 ( 1.898 -1.922 3.476) 4.402 8.984 ( 0.479 -3.123 2.968) 4.335 9.224 ( 0.525 2.153 1.564) 2.712 9.251 ( -1.212 3.118 2.198) 4.003 9.272 ( 2.186 1.147 9.300) 9.622 9.336 ( -3.334 0.666 7.548) 8.278 9.421 ( -0.181 1.803 12.172) 12.306 9.464 ( 0.103 0.739 7.122) 7.161 9.516 ( 1.430 1.779 10.192) 10.444 9.593 ( -4.575 -4.822 1.309) 6.775 9.691 ( 0.626 -0.090 0.968) 1.156 9.720 ( -1.612 -0.790 3.704) 4.116 9.848 ( 2.932 -3.670 5.840) 7.494 9.871 ( 3.423 -0.947 2.583) 4.392 9.900 ( 1.688 2.909 4.528) 5.641 9.913 ( -0.524 -4.625 11.589) 12.488 10.072 ( -0.969 -5.519 7.857) 9.650 10.089 ( -3.312 0.283 5.241) 6.206 10.190 ( 3.874 -1.398 4.901) 6.401 10.279 ( -2.802 0.716 4.790) 5.595 10.349 ( 2.459 2.650 10.481) 11.086 10.354 ( -0.660 -0.614 4.603) 4.690 10.400 ( -1.931 -0.841 4.017) 4.536 10.449 ( -3.514 3.646 6.192) 7.999 10.581 ( 3.604 1.489 6.396) 7.491 10.612 ( 0.563 0.838 6.808) 6.883 10.796 ( 0.844 9.580 1.270) 9.700 10.844 ( -4.088 5.451 2.702) 7.329 10.900 ( 3.026 7.807 3.141) 8.943 10.983 ( -5.329 6.134 0.989) 8.186 11.172 ( 1.669 -0.258 3.147) 3.572 11.210 ( -2.169 1.545 0.917) 2.816 11.255 ( 5.280 -5.549 4.820) 9.050 11.333 ( -1.947 -4.785 0.617) 5.202 11.440 ( 5.579 7.240 2.228) 9.408 11.526 ( -3.433 6.021 5.752) 9.007 11.821 ( 0.587 7.071 3.655) 7.981 11.869 ( -3.098 8.103 3.442) 9.333 12.051 ( 6.422 -4.687 1.455) 8.082 12.155 ( -4.208 -7.593 0.772) 8.716 12.410 ( 1.389 -3.732 -3.248) 5.139 12.438 ( -1.150 -5.928 -3.093) 6.784 13.119 ( 1.692 5.180 -7.454) 9.233 13.143 ( -0.700 5.078 -6.313) 8.132 13.239 ( 0.229 0.550 -5.863) 5.893 13.249 ( -0.685 0.649 -5.655) 5.733 13.602 ( 0.529 8.202 1.184) 8.304 13.615 ( -0.774 8.405 -0.854) 8.484 14.092 ( 6.378 -2.393 17.390) 18.677 14.209 ( -4.357 -6.695 5.267) 9.568 14.364 ( 3.680 8.955 -4.223) 10.563 14.525 ( -15.227 7.892 7.212) 18.605 15.103 ( 1.535 -11.686 -6.849) 13.631 15.138 ( -1.993 -10.657 -6.895) 12.848 15.363 ( 16.246 -7.191 -2.963) 18.011 15.557 ( -5.325 -5.121 -5.394) 9.148 15.603 ( 3.200 -8.970 -2.637) 9.882 15.663 ( -2.747 -6.802 -4.755) 8.743 15.932 ( 3.083 5.626 -5.636) 8.539 16.001 ( -3.492 0.477 -7.634) 8.408 16.361 ( -0.016 -4.259 -3.293) 5.383 16.362 ( -0.085 -4.428 -3.987) 5.959 16.938 ( 1.167 4.152 -5.109) 6.686 16.967 ( -1.728 3.695 -5.327) 6.709 17.061 ( 1.432 1.922 -5.777) 6.255 17.083 ( -0.803 1.407 -6.544) 6.741 19.338 ( 1.875 0.317 2.160) 2.878 19.380 ( -2.412 -1.299 2.902) 3.990 19.468 ( 1.776 -3.320 3.027) 4.831 19.496 ( -1.096 -4.114 3.908) 5.779 20.097 ( -0.124 3.051 -2.301) 3.824 20.099 ( -0.288 2.882 -2.347) 3.728 20.169 ( 2.895 3.367 -2.701) 5.198 20.224 ( -2.498 -1.415 -4.698) 5.505 20.484 ( 1.002 -0.232 3.206) 3.367 20.524 ( -3.246 -0.663 4.800) 5.832 20.844 ( 1.965 -13.326 3.212) 13.848 20.868 ( -0.610 -14.721 2.035) 14.874 21.433 ( 1.006 5.741 -2.653) 6.404 21.459 ( -1.582 5.533 -2.942) 6.463 21.617 ( 0.784 -1.479 -1.972) 2.586 21.628 ( -0.358 -2.509 -1.928) 3.184 ======================= Grid point 30 (15/40) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 9.218 3.741) 9.949 1.323 ( 0.000 13.845 6.672) 15.369 1.477 ( 0.000 -2.809 6.014) 6.638 1.600 ( 0.000 8.495 6.642) 10.783 1.653 ( 0.000 1.195 6.128) 6.244 2.043 ( 0.000 -16.780 2.363) 16.945 2.160 ( 0.000 5.132 12.675) 13.674 2.187 ( 0.000 8.962 7.858) 11.919 2.299 ( 0.000 1.381 -0.495) 1.467 2.388 ( 0.000 -11.199 3.880) 11.852 2.568 ( 0.000 10.283 15.745) 18.806 2.638 ( 0.000 -3.730 5.620) 6.745 2.718 ( 0.000 -6.427 8.667) 10.790 2.725 ( 0.000 -6.055 7.465) 9.612 2.846 ( 0.000 1.647 2.617) 3.092 2.898 ( 0.000 -4.859 6.281) 7.941 2.975 ( 0.000 5.016 1.451) 5.222 3.104 ( 0.000 -5.654 -4.055) 6.958 3.327 ( 0.000 10.121 -0.156) 10.122 3.446 ( 0.000 0.293 -3.741) 3.753 3.472 ( 0.000 -2.008 -2.330) 3.075 3.507 ( 0.000 -6.204 0.791) 6.255 3.549 ( 0.000 2.554 -6.807) 7.270 3.559 ( 0.000 1.021 -8.783) 8.842 3.610 ( 0.000 3.283 2.586) 4.179 3.632 ( 0.000 0.104 -0.124) 0.162 3.781 ( 0.000 4.551 -2.086) 5.007 3.803 ( 0.000 4.795 -3.593) 5.992 3.858 ( 0.000 7.174 2.138) 7.486 3.949 ( 0.000 12.802 -1.965) 12.952 3.960 ( 0.000 5.534 2.654) 6.137 4.027 ( 0.000 2.001 -5.683) 6.025 4.203 ( 0.000 7.647 6.021) 9.733 4.269 ( 0.000 6.428 3.093) 7.133 4.348 ( 0.000 -0.727 3.162) 3.244 4.362 ( 0.000 2.430 0.320) 2.451 4.459 ( 0.000 3.638 -2.845) 4.618 4.518 ( 0.000 1.561 -2.567) 3.005 4.537 ( 0.000 -5.031 3.158) 5.940 4.560 ( 0.000 -8.739 3.808) 9.533 4.738 ( 0.000 -2.646 0.407) 2.677 4.819 ( 0.000 1.556 3.487) 3.818 4.819 ( 0.000 1.142 4.467) 4.610 4.865 ( 0.000 -14.076 1.234) 14.130 5.056 ( 0.000 4.922 -5.231) 7.183 5.067 ( 0.000 4.993 10.870) 11.962 5.139 ( 0.000 -4.410 7.761) 8.926 5.243 ( 0.000 -10.330 4.077) 11.106 5.393 ( 0.000 -0.179 -0.898) 0.916 5.496 ( 0.000 -8.603 -4.674) 9.791 5.630 ( 0.000 11.120 -2.030) 11.304 5.689 ( 0.000 7.389 -0.192) 7.391 5.726 ( 0.000 4.615 0.097) 4.616 5.839 ( 0.000 2.114 2.637) 3.380 5.897 ( 0.000 -5.817 -3.558) 6.819 5.919 ( 0.000 -4.936 1.002) 5.037 6.025 ( 0.000 1.421 2.413) 2.800 6.039 ( 0.000 2.855 -0.595) 2.916 6.143 ( 0.000 -5.903 -2.404) 6.374 6.234 ( 0.000 -12.983 -0.209) 12.985 6.410 ( 0.000 4.900 2.062) 5.316 6.471 ( 0.000 -0.286 1.499) 1.526 6.498 ( 0.000 1.117 0.109) 1.122 6.530 ( 0.000 -2.497 6.119) 6.609 6.682 ( 0.000 -2.647 3.016) 4.013 6.733 ( 0.000 -6.931 2.384) 7.330 6.984 ( 0.000 0.187 -0.022) 0.188 7.000 ( 0.000 -0.909 -0.829) 1.230 7.737 ( 0.000 3.730 -1.824) 4.152 7.809 ( 0.000 -4.149 -0.947) 4.256 7.832 ( 0.000 7.148 -1.240) 7.254 7.944 ( 0.000 -4.224 -1.059) 4.355 8.820 ( 0.000 1.682 0.468) 1.746 8.827 ( 0.000 0.614 2.358) 2.437 8.893 ( 0.000 -1.346 0.831) 1.582 8.903 ( 0.000 -1.826 -1.609) 2.434 9.268 ( 0.000 0.944 4.111) 4.218 9.271 ( 0.000 0.870 3.778) 3.877 9.325 ( 0.000 3.052 5.359) 6.168 9.377 ( 0.000 -2.256 8.033) 8.344 9.453 ( 0.000 4.123 1.067) 4.259 9.524 ( 0.000 2.071 10.262) 10.469 9.529 ( 0.000 2.163 9.731) 9.968 9.546 ( 0.000 -5.262 -2.200) 5.703 9.693 ( 0.000 -0.071 3.490) 3.491 9.702 ( 0.000 -0.305 3.711) 3.724 9.786 ( 0.000 -1.732 12.794) 12.911 9.811 ( 0.000 -2.129 9.746) 9.976 9.847 ( 0.000 -0.311 5.668) 5.676 9.855 ( 0.000 -2.458 7.843) 8.219 9.997 ( 0.000 0.026 11.519) 11.519 10.053 ( 0.000 -4.739 8.771) 9.970 10.221 ( 0.000 4.149 3.541) 5.455 10.300 ( 0.000 -3.590 3.109) 4.749 10.367 ( 0.000 1.147 7.141) 7.233 10.381 ( 0.000 1.057 6.416) 6.503 10.467 ( 0.000 2.729 4.339) 5.126 10.504 ( 0.000 -0.277 3.169) 3.181 10.578 ( 0.000 2.100 8.327) 8.588 10.607 ( 0.000 -0.763 8.363) 8.398 10.938 ( 0.000 4.379 -4.390) 6.201 10.946 ( 0.000 2.183 -0.773) 2.316 11.024 ( 0.000 7.423 6.115) 9.617 11.116 ( 0.000 3.043 5.139) 5.972 11.117 ( 0.000 -3.100 4.585) 5.535 11.165 ( 0.000 3.334 2.374) 4.093 11.216 ( 0.000 -6.116 1.770) 6.366 11.271 ( 0.000 -6.112 0.323) 6.120 11.516 ( 0.000 11.952 2.498) 12.210 11.676 ( 0.000 2.427 0.647) 2.512 11.800 ( 0.000 -3.793 5.488) 6.671 11.919 ( 0.000 -7.336 0.441) 7.349 12.107 ( 0.000 11.068 2.352) 11.315 12.111 ( 0.000 7.126 6.258) 9.484 12.295 ( 0.000 -9.287 1.361) 9.386 12.303 ( 0.000 -8.042 0.586) 8.063 13.191 ( 0.000 3.631 -8.074) 8.853 13.203 ( 0.000 0.952 -6.969) 7.033 13.220 ( 0.000 -1.062 -7.554) 7.629 13.244 ( 0.000 -1.645 -7.302) 7.485 13.782 ( 0.000 9.916 6.198) 11.694 13.832 ( 0.000 12.054 2.043) 12.226 13.954 ( 0.000 -6.685 10.061) 12.080 14.069 ( 0.000 -11.227 3.893) 11.883 14.564 ( 0.000 14.237 -6.704) 15.736 14.829 ( 0.000 0.409 -5.764) 5.778 14.843 ( 0.000 -9.158 -6.775) 11.392 14.978 ( 0.000 -9.070 -8.021) 12.108 15.174 ( 0.000 8.579 0.747) 8.612 15.363 ( 0.000 -10.581 -0.557) 10.596 15.554 ( 0.000 -0.522 -5.424) 5.449 15.591 ( 0.000 -4.012 -5.531) 6.833 16.064 ( 0.000 8.744 -5.244) 10.196 16.088 ( 0.000 5.790 -6.211) 8.491 16.231 ( 0.000 -8.022 -4.918) 9.409 16.234 ( 0.000 -8.284 -4.365) 9.364 17.027 ( 0.000 4.903 -5.701) 7.520 17.056 ( 0.000 2.594 -5.519) 6.098 17.077 ( 0.000 0.821 -5.129) 5.194 17.093 ( 0.000 -1.327 -6.155) 6.296 19.355 ( 0.000 2.656 2.275) 3.497 19.386 ( 0.000 -0.195 3.282) 3.288 19.403 ( 0.000 -1.585 1.699) 2.324 19.423 ( 0.000 -4.133 2.918) 5.060 20.145 ( 0.000 1.906 -3.441) 3.933 20.174 ( 0.000 3.230 -3.655) 4.878 20.178 ( 0.000 -1.534 -4.383) 4.644 20.204 ( 0.000 0.240 -4.374) 4.381 20.478 ( 0.000 2.131 4.646) 5.111 20.542 ( 0.000 0.939 4.488) 4.586 20.609 ( 0.000 -10.739 3.960) 11.445 20.632 ( 0.000 -7.412 4.249) 8.543 21.522 ( 0.000 4.184 -2.837) 5.055 21.554 ( 0.000 2.843 -2.886) 4.051 21.584 ( 0.000 -2.441 -2.423) 3.440 21.592 ( 0.000 -1.282 -2.313) 2.645 ======================= Grid point 31 (16/40) ======================= q-point: ( 0.33 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.820 14.986 6.463) 16.341 1.323 ( -1.889 16.724 8.210) 18.726 1.532 ( 5.254 -7.663 3.722) 10.009 1.620 ( -3.123 -10.022 4.997) 11.626 1.688 ( 8.491 16.513 7.217) 19.921 1.902 ( -13.355 12.334 8.625) 20.121 2.084 ( 2.927 -20.083 0.383) 20.299 2.176 ( -6.177 -11.666 2.824) 13.499 2.444 ( 11.044 4.819 5.716) 13.336 2.471 ( 6.376 2.287 9.087) 11.334 2.581 ( -0.653 4.378 13.410) 14.122 2.616 ( -4.135 -0.980 9.473) 10.382 2.692 ( -0.864 -1.590 6.581) 6.825 2.733 ( -3.901 1.749 4.930) 6.525 2.796 ( 2.823 -6.364 3.764) 7.914 2.878 ( -3.347 -8.738 5.747) 10.981 3.084 ( 10.606 6.742 -0.705) 12.588 3.195 ( 7.527 -4.814 -4.075) 9.820 3.288 ( -7.030 2.752 -1.520) 7.700 3.315 ( -6.721 -1.522 -0.974) 6.960 3.393 ( -0.904 4.865 2.807) 5.689 3.424 ( -3.858 1.659 3.794) 5.660 3.486 ( -8.389 2.452 -3.573) 9.442 3.499 ( -7.739 2.111 -2.604) 8.434 3.690 ( 8.699 4.445 -3.447) 10.359 3.749 ( 9.021 -0.453 -4.113) 9.925 3.820 ( -2.054 7.492 -4.088) 8.778 3.862 ( -1.781 2.933 -4.284) 5.489 3.893 ( 7.270 7.751 -1.040) 10.678 3.938 ( 1.445 7.729 -0.777) 7.901 4.003 ( 2.434 5.160 -3.541) 6.714 4.037 ( -0.274 1.704 -6.039) 6.281 4.167 ( -1.675 7.813 4.873) 9.360 4.220 ( -6.613 2.981 0.720) 7.289 4.269 ( -1.174 -1.177 3.323) 3.715 4.324 ( -4.432 -1.777 2.639) 5.456 4.464 ( 1.955 1.760 0.712) 2.725 4.499 ( -1.451 1.388 0.694) 2.125 4.551 ( 0.159 -8.985 4.468) 10.036 4.559 ( -0.518 -4.492 2.709) 5.272 4.814 ( 6.448 -1.323 -1.996) 6.878 4.842 ( 2.079 -0.296 4.602) 5.058 4.857 ( 0.872 -1.508 3.978) 4.343 4.887 ( 0.738 -6.149 0.791) 6.244 5.030 ( -1.554 6.625 0.886) 6.862 5.041 ( -2.026 5.235 9.082) 10.677 5.164 ( 2.311 -6.886 6.690) 9.875 5.214 ( -2.663 -10.166 4.193) 11.315 5.425 ( 4.458 5.034 -2.289) 7.103 5.536 ( -3.617 7.559 -4.920) 9.717 5.604 ( 3.894 -7.925 -1.456) 8.949 5.676 ( -1.192 3.720 -0.261) 3.915 5.733 ( 1.024 6.185 -0.663) 6.304 5.813 ( -6.364 0.286 -2.725) 6.929 5.856 ( 1.132 -4.646 2.517) 5.404 5.897 ( -2.643 -6.834 0.346) 7.335 6.017 ( 0.178 4.972 3.088) 5.856 6.029 ( -0.804 4.106 1.068) 4.318 6.170 ( 2.489 -7.165 -2.447) 7.969 6.216 ( -1.937 -10.727 -1.403) 10.991 6.434 ( 2.215 2.974 2.036) 4.230 6.476 ( -1.417 0.756 0.788) 1.789 6.491 ( 0.685 -1.667 2.795) 3.326 6.514 ( -1.235 -2.885 4.219) 5.258 6.769 ( 8.112 -0.682 1.803) 8.338 6.812 ( 6.847 -4.454 1.514) 8.307 6.924 ( -6.503 -0.332 0.457) 6.527 6.940 ( -5.566 -1.720 0.204) 5.829 7.759 ( 2.147 4.220 -1.612) 5.002 7.805 ( -2.350 5.787 -1.305) 6.380 7.839 ( 2.870 -4.188 -0.787) 5.138 7.905 ( -3.600 -4.414 -0.853) 5.760 8.818 ( 1.026 3.749 0.189) 3.892 8.842 ( -0.782 3.920 -1.226) 4.182 8.901 ( 1.679 -4.085 2.813) 5.237 8.918 ( 0.361 -3.483 -0.121) 3.504 9.261 ( 1.407 1.430 2.707) 3.369 9.273 ( 1.291 0.119 3.780) 3.996 9.324 ( -2.358 2.256 5.027) 5.993 9.343 ( -4.246 -0.050 4.628) 6.281 9.452 ( 1.320 1.618 7.860) 8.133 9.490 ( 0.372 0.682 6.594) 6.640 9.515 ( -2.318 -1.599 3.898) 4.809 9.539 ( -1.704 -0.343 7.104) 7.314 9.706 ( 1.948 1.913 3.301) 4.284 9.738 ( 0.791 1.697 7.419) 7.652 9.770 ( 1.417 -2.704 5.382) 6.187 9.820 ( -1.350 -4.400 8.603) 9.757 9.883 ( 4.527 1.405 7.977) 9.279 9.932 ( 4.703 -1.354 7.885) 9.280 9.975 ( -1.843 -1.075 10.401) 10.618 10.033 ( -3.190 -4.458 10.276) 11.647 10.220 ( 1.427 3.517 3.746) 5.333 10.276 ( -1.843 -0.500 3.940) 4.379 10.316 ( -3.646 -2.805 5.800) 7.402 10.324 ( -3.992 -1.837 5.894) 7.351 10.487 ( 3.313 5.654 5.226) 8.382 10.533 ( 0.633 2.619 5.664) 6.272 10.583 ( -0.012 -0.543 7.291) 7.312 10.606 ( -0.763 -1.329 7.225) 7.386 10.954 ( 1.719 5.936 0.448) 6.196 10.968 ( 1.455 6.373 -1.394) 6.684 11.036 ( 0.463 5.571 4.834) 7.391 11.077 ( -3.251 1.850 2.502) 4.500 11.145 ( 1.608 -1.410 2.005) 2.932 11.163 ( 1.598 -2.229 2.990) 4.057 11.192 ( -2.230 -3.695 2.733) 5.108 11.218 ( -3.348 -5.723 2.495) 7.084 11.607 ( 6.462 9.988 1.905) 12.048 11.686 ( -1.053 8.890 2.009) 9.174 11.810 ( 2.488 -7.383 1.936) 8.028 11.886 ( -3.865 -8.028 0.643) 8.933 12.104 ( 1.301 9.490 4.276) 10.490 12.127 ( -0.286 7.485 4.647) 8.815 12.289 ( 0.121 -8.791 1.245) 8.879 12.301 ( -0.629 -8.452 1.483) 8.604 13.193 ( 0.191 3.009 -7.786) 8.350 13.198 ( -0.329 1.718 -7.276) 7.484 13.229 ( 0.655 -1.370 -7.441) 7.595 13.240 ( -0.473 -1.608 -7.356) 7.545 13.794 ( 1.213 10.655 5.272) 11.949 13.820 ( -1.265 11.825 3.121) 12.296 13.981 ( 2.817 -8.223 8.951) 12.477 14.040 ( -2.841 -10.466 5.797) 12.297 14.596 ( 3.639 13.754 -5.733) 15.339 14.708 ( -8.326 10.818 -4.040) 14.237 14.861 ( 2.370 -13.408 -7.314) 15.456 14.926 ( -4.210 -11.440 -7.292) 14.204 15.328 ( 11.157 2.838 -2.539) 11.789 15.437 ( 6.309 -7.757 -2.482) 10.302 15.497 ( -6.222 -0.242 -4.843) 7.888 15.546 ( -4.567 -4.890 -4.713) 8.184 16.069 ( 0.544 8.168 -5.414) 9.815 16.081 ( -0.638 6.690 -5.887) 8.934 16.231 ( 0.031 -8.149 -4.837) 9.477 16.232 ( -0.126 -8.272 -4.572) 9.452 17.033 ( 0.605 4.580 -5.559) 7.228 17.046 ( -0.765 3.599 -5.384) 6.521 17.083 ( 0.476 -0.150 -5.573) 5.595 17.090 ( -0.272 -1.038 -5.988) 6.084 19.361 ( 0.656 2.129 2.366) 3.249 19.376 ( -0.822 0.862 2.681) 2.933 19.411 ( 0.539 -2.571 2.352) 3.526 19.419 ( -0.350 -3.687 2.773) 4.627 20.149 ( 0.450 2.395 -3.410) 4.192 20.162 ( -0.877 3.117 -3.494) 4.764 20.188 ( 0.814 -1.501 -4.462) 4.778 20.201 ( -0.439 -0.595 -4.511) 4.571 20.493 ( 1.461 2.412 4.762) 5.535 20.525 ( -1.653 1.983 4.696) 5.359 20.616 ( 0.661 -10.323 3.897) 11.054 20.628 ( -0.485 -8.598 4.034) 9.509 21.529 ( 0.703 3.955 -2.836) 4.917 21.544 ( -0.847 3.312 -2.856) 4.455 21.586 ( 0.229 -2.226 -2.394) 3.277 21.590 ( -0.166 -1.665 -2.342) 2.879 ======================= Grid point 42 (17/40) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 0.000 25.528) 25.528 1.084 ( 0.000 0.000 26.934) 26.934 1.340 ( 0.000 0.000 8.665) 8.665 1.629 ( 0.000 0.000 10.785) 10.785 1.870 ( 0.000 0.000 8.744) 8.744 2.009 ( 0.000 0.000 -0.165) 0.165 2.071 ( 0.000 0.000 3.051) 3.051 2.124 ( 0.000 0.000 41.283) 41.283 2.180 ( 0.000 0.000 26.031) 26.031 2.559 ( 0.000 0.000 1.766) 1.766 2.654 ( 0.000 0.000 -1.043) 1.043 2.747 ( 0.000 0.000 -1.042) 1.042 2.760 ( 0.000 0.000 8.667) 8.667 2.900 ( 0.000 0.000 -9.635) 9.635 3.025 ( 0.000 0.000 -10.483) 10.483 3.077 ( 0.000 0.000 23.861) 23.861 3.090 ( 0.000 0.000 5.239) 5.239 3.091 ( 0.000 0.000 1.757) 1.757 3.173 ( 0.000 0.000 -13.385) 13.385 3.179 ( 0.000 0.000 -11.590) 11.590 3.258 ( 0.000 0.000 -7.980) 7.980 3.311 ( 0.000 0.000 -4.731) 4.731 3.352 ( 0.000 0.000 -4.882) 4.882 3.385 ( 0.000 0.000 -6.550) 6.550 3.455 ( 0.000 0.000 -0.889) 0.889 3.501 ( 0.000 0.000 -9.652) 9.652 3.561 ( 0.000 0.000 -1.602) 1.602 3.719 ( 0.000 0.000 1.064) 1.064 3.747 ( 0.000 0.000 -0.907) 0.907 3.787 ( 0.000 0.000 -2.211) 2.211 3.867 ( 0.000 0.000 5.482) 5.482 3.923 ( 0.000 0.000 -4.475) 4.475 3.930 ( 0.000 0.000 -4.176) 4.176 4.027 ( 0.000 0.000 -13.081) 13.081 4.195 ( 0.000 0.000 -10.943) 10.943 4.270 ( 0.000 0.000 10.829) 10.829 4.297 ( 0.000 0.000 6.854) 6.854 4.364 ( 0.000 0.000 -5.071) 5.071 4.473 ( 0.000 0.000 3.272) 3.272 4.825 ( 0.000 0.000 -9.726) 9.726 4.854 ( 0.000 0.000 22.304) 22.304 4.943 ( 0.000 0.000 21.674) 21.674 4.958 ( 0.000 0.000 2.681) 2.681 5.059 ( 0.000 0.000 10.041) 10.041 5.193 ( 0.000 0.000 -0.216) 0.216 5.196 ( 0.000 0.000 5.314) 5.314 5.246 ( 0.000 0.000 3.498) 3.498 5.249 ( 0.000 0.000 -2.165) 2.165 5.586 ( 0.000 0.000 16.432) 16.432 5.627 ( 0.000 0.000 4.671) 4.671 5.675 ( 0.000 0.000 6.229) 6.229 5.726 ( 0.000 0.000 -1.279) 1.279 5.771 ( 0.000 0.000 5.232) 5.232 5.909 ( 0.000 0.000 -2.074) 2.074 5.941 ( 0.000 0.000 -0.786) 0.786 6.046 ( 0.000 0.000 1.234) 1.234 6.147 ( 0.000 0.000 6.223) 6.223 6.255 ( 0.000 0.000 -9.448) 9.448 6.332 ( 0.000 0.000 -7.560) 7.560 6.356 ( 0.000 0.000 3.603) 3.603 6.408 ( 0.000 0.000 -1.286) 1.286 6.466 ( 0.000 0.000 -3.236) 3.236 6.637 ( 0.000 0.000 -3.687) 3.687 6.836 ( 0.000 0.000 -5.787) 5.787 6.842 ( 0.000 0.000 7.207) 7.207 6.998 ( 0.000 0.000 7.467) 7.467 7.191 ( 0.000 0.000 1.718) 1.718 7.220 ( 0.000 0.000 2.465) 2.465 7.308 ( 0.000 0.000 -3.794) 3.794 7.497 ( 0.000 0.000 -3.585) 3.585 7.846 ( 0.000 0.000 -4.622) 4.622 7.967 ( 0.000 0.000 -4.854) 4.854 8.526 ( 0.000 0.000 -9.427) 9.427 8.571 ( 0.000 0.000 -10.869) 10.869 9.018 ( 0.000 0.000 2.905) 2.905 9.116 ( 0.000 0.000 -1.468) 1.468 9.205 ( 0.000 0.000 8.360) 8.360 9.335 ( 0.000 0.000 0.595) 0.595 9.427 ( 0.000 0.000 8.892) 8.892 9.502 ( 0.000 0.000 -0.722) 0.722 9.540 ( 0.000 0.000 4.891) 4.891 9.551 ( 0.000 0.000 6.613) 6.613 9.654 ( 0.000 0.000 3.882) 3.882 9.674 ( 0.000 0.000 1.384) 1.384 9.769 ( 0.000 0.000 -4.751) 4.751 9.788 ( 0.000 0.000 -4.961) 4.961 9.914 ( 0.000 0.000 -5.009) 5.009 10.022 ( 0.000 0.000 25.483) 25.483 10.039 ( 0.000 0.000 3.431) 3.431 10.054 ( 0.000 0.000 21.937) 21.937 10.056 ( 0.000 0.000 -9.166) 9.166 10.135 ( 0.000 0.000 7.840) 7.840 10.260 ( 0.000 0.000 2.389) 2.389 10.317 ( 0.000 0.000 14.221) 14.221 10.480 ( 0.000 0.000 6.668) 6.668 10.512 ( 0.000 0.000 13.676) 13.676 10.532 ( 0.000 0.000 7.499) 7.499 10.561 ( 0.000 0.000 15.283) 15.283 10.666 ( 0.000 0.000 9.509) 9.509 10.684 ( 0.000 0.000 12.445) 12.445 10.793 ( 0.000 0.000 11.788) 11.788 10.899 ( 0.000 0.000 9.848) 9.848 10.969 ( 0.000 0.000 2.308) 2.308 10.991 ( 0.000 0.000 7.143) 7.143 11.180 ( 0.000 0.000 5.807) 5.807 11.255 ( 0.000 0.000 4.911) 4.911 11.291 ( 0.000 0.000 1.382) 1.382 11.355 ( 0.000 0.000 0.929) 0.929 11.590 ( 0.000 0.000 14.650) 14.650 11.742 ( 0.000 0.000 10.013) 10.013 11.743 ( 0.000 0.000 9.000) 9.000 11.816 ( 0.000 0.000 8.459) 8.459 11.922 ( 0.000 0.000 -7.154) 7.154 12.120 ( 0.000 0.000 -0.988) 0.988 12.554 ( 0.000 0.000 6.754) 6.754 12.580 ( 0.000 0.000 3.616) 3.616 12.876 ( 0.000 0.000 0.610) 0.610 12.884 ( 0.000 0.000 -0.178) 0.178 13.139 ( 0.000 0.000 -7.135) 7.135 13.139 ( 0.000 0.000 -5.428) 5.428 13.354 ( 0.000 0.000 -8.109) 8.109 13.363 ( 0.000 0.000 -7.994) 7.994 14.035 ( 0.000 0.000 -13.229) 13.229 14.083 ( 0.000 0.000 -16.582) 16.582 14.617 ( 0.000 0.000 32.240) 32.240 15.100 ( 0.000 0.000 9.628) 9.628 15.243 ( 0.000 0.000 -9.663) 9.663 15.274 ( 0.000 0.000 -10.046) 10.046 15.426 ( 0.000 0.000 -7.385) 7.385 15.494 ( 0.000 0.000 -7.404) 7.404 15.698 ( 0.000 0.000 -3.028) 3.028 15.786 ( 0.000 0.000 -3.724) 3.724 15.829 ( 0.000 0.000 -4.444) 4.444 15.987 ( 0.000 0.000 -7.325) 7.325 16.200 ( 0.000 0.000 -8.935) 8.935 16.281 ( 0.000 0.000 -7.597) 7.597 16.792 ( 0.000 0.000 -7.112) 7.112 16.853 ( 0.000 0.000 -8.868) 8.868 16.853 ( 0.000 0.000 -9.851) 9.851 16.880 ( 0.000 0.000 -9.362) 9.362 19.356 ( 0.000 0.000 3.808) 3.808 19.495 ( 0.000 0.000 1.486) 1.486 19.710 ( 0.000 0.000 1.746) 1.746 19.718 ( 0.000 0.000 1.713) 1.713 19.943 ( 0.000 0.000 6.737) 6.737 19.989 ( 0.000 0.000 -2.700) 2.700 20.002 ( 0.000 0.000 -2.804) 2.804 20.159 ( 0.000 0.000 -9.140) 9.140 20.506 ( 0.000 0.000 5.075) 5.075 20.781 ( 0.000 0.000 6.422) 6.422 21.122 ( 0.000 0.000 -1.237) 1.237 21.175 ( 0.000 0.000 -1.888) 1.888 21.317 ( 0.000 0.000 0.956) 0.956 21.392 ( 0.000 0.000 1.934) 1.934 21.577 ( 0.000 0.000 -2.370) 2.370 21.703 ( 0.000 0.000 -3.501) 3.501 ======================= Grid point 43 (18/40) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 11.397 0.000 22.140) 24.902 1.132 ( 5.290 0.000 23.754) 24.336 1.261 ( -7.222 0.000 15.313) 16.930 1.394 ( -16.526 0.000 15.821) 22.878 1.954 ( 2.684 0.000 2.727) 3.826 1.987 ( -1.513 0.000 0.735) 1.682 2.236 ( 14.741 0.000 4.853) 15.520 2.245 ( 10.345 0.000 26.775) 28.704 2.350 ( 16.872 0.000 33.426) 37.443 2.477 ( -11.534 0.000 5.739) 12.882 2.493 ( -10.221 0.000 2.797) 10.597 2.732 ( 3.550 0.000 -2.918) 4.596 2.754 ( -21.331 0.000 28.689) 35.750 2.845 ( -6.068 0.000 -7.136) 9.367 2.892 ( 8.841 0.000 3.787) 9.618 3.054 ( -6.141 0.000 5.265) 8.089 3.067 ( 3.615 0.000 -11.142) 11.714 3.128 ( -0.002 0.000 -8.572) 8.572 3.135 ( -3.429 0.000 -11.149) 11.665 3.212 ( -6.714 0.000 -4.560) 8.116 3.304 ( 2.815 0.000 -9.473) 9.882 3.328 ( 10.138 0.000 -6.102) 11.833 3.341 ( -1.367 0.000 -6.598) 6.738 3.408 ( 3.459 0.000 -5.566) 6.553 3.449 ( -1.963 0.000 -6.014) 6.326 3.481 ( -2.905 0.000 -6.798) 7.392 3.578 ( 0.844 0.000 1.466) 1.691 3.622 ( -1.815 0.000 1.565) 2.396 3.819 ( 3.474 0.000 -3.344) 4.822 3.848 ( 3.101 0.000 -4.792) 5.708 3.889 ( 0.423 0.000 -0.944) 1.035 3.893 ( -3.643 0.000 -4.185) 5.548 4.006 ( 1.761 0.000 -7.163) 7.376 4.041 ( 4.385 0.000 -1.458) 4.621 4.170 ( 0.016 0.000 -11.042) 11.042 4.261 ( -6.612 0.000 -2.661) 7.127 4.279 ( 0.822 0.000 9.635) 9.670 4.293 ( -0.498 0.000 7.733) 7.749 4.623 ( 10.502 0.000 -2.230) 10.737 4.783 ( -5.451 0.000 -6.445) 8.441 4.874 ( 2.035 0.000 22.031) 22.125 4.918 ( -2.282 0.000 21.644) 21.764 5.018 ( 5.296 0.000 -0.620) 5.333 5.051 ( 0.334 0.000 10.104) 10.110 5.146 ( -3.744 0.000 10.783) 11.415 5.180 ( -5.920 0.000 -2.407) 6.390 5.211 ( 1.538 0.000 0.684) 1.684 5.237 ( -1.023 0.000 2.494) 2.696 5.609 ( 3.080 0.000 13.048) 13.407 5.637 ( 1.157 0.000 3.759) 3.933 5.677 ( -3.146 0.000 1.157) 3.352 5.677 ( -2.850 0.000 11.400) 11.751 5.811 ( 5.708 0.000 3.210) 6.549 5.921 ( -4.226 0.000 1.104) 4.368 6.021 ( 9.543 0.000 -3.866) 10.296 6.057 ( 4.217 0.000 -1.240) 4.396 6.180 ( -6.297 0.000 -5.380) 8.283 6.200 ( 3.364 0.000 3.749) 5.038 6.213 ( -10.081 0.000 -5.930) 11.696 6.278 ( -4.453 0.000 3.027) 5.385 6.463 ( 3.159 0.000 -3.185) 4.486 6.493 ( 0.549 0.000 -3.830) 3.869 6.715 ( 5.826 0.000 -4.825) 7.564 6.804 ( -3.351 0.000 -5.556) 6.488 6.868 ( 2.938 0.000 7.670) 8.214 6.944 ( -4.522 0.000 7.738) 8.962 7.198 ( 0.741 0.000 1.855) 1.997 7.213 ( -0.701 0.000 2.226) 2.334 7.373 ( 5.465 0.000 -3.449) 6.462 7.464 ( -3.587 0.000 -3.485) 5.002 7.872 ( 2.663 0.000 -4.645) 5.354 7.932 ( -3.217 0.000 -4.752) 5.738 8.542 ( 1.335 0.000 -9.921) 10.011 8.563 ( -0.802 0.000 -10.619) 10.649 9.046 ( 3.849 0.000 3.822) 5.424 9.143 ( -2.657 0.000 1.248) 2.935 9.206 ( 3.232 0.000 6.868) 7.590 9.336 ( -8.051 0.000 6.012) 10.048 9.374 ( 3.915 0.000 1.461) 4.178 9.450 ( 2.582 0.000 1.319) 2.900 9.467 ( -5.556 0.000 3.380) 6.503 9.551 ( -5.779 0.000 3.297) 6.654 9.681 ( 3.386 0.000 0.265) 3.397 9.709 ( 3.803 0.000 2.464) 4.532 9.744 ( -3.108 0.000 -2.198) 3.807 9.766 ( -2.216 0.000 -2.162) 3.096 9.940 ( 2.572 0.000 -4.738) 5.391 9.966 ( 0.784 0.000 24.997) 25.010 10.003 ( -3.920 0.000 -4.638) 6.073 10.004 ( -2.285 0.000 20.677) 20.803 10.181 ( 3.292 0.000 3.118) 4.534 10.236 ( -2.360 0.000 2.319) 3.309 10.302 ( 14.712 0.000 11.445) 18.639 10.386 ( 4.739 0.000 11.924) 12.831 10.490 ( -1.393 0.000 10.185) 10.280 10.495 ( 1.613 0.000 6.336) 6.538 10.525 ( -1.109 0.000 6.207) 6.305 10.551 ( -2.956 0.000 12.800) 13.137 10.672 ( 1.174 0.000 10.138) 10.206 10.717 ( 3.256 0.000 12.876) 13.281 10.775 ( -2.181 0.000 12.134) 12.329 10.785 ( -12.602 0.000 3.277) 13.021 10.904 ( 0.866 0.000 9.543) 9.583 10.944 ( -3.386 0.000 8.387) 9.044 11.212 ( 2.351 0.000 5.187) 5.695 11.245 ( -1.099 0.000 4.867) 4.990 11.365 ( 3.268 0.000 4.218) 5.336 11.384 ( 1.818 0.000 0.038) 1.819 11.631 ( 3.784 0.000 14.083) 14.583 11.709 ( -3.700 0.000 12.123) 12.675 11.761 ( 1.892 0.000 9.649) 9.833 11.799 ( -1.760 0.000 8.863) 9.036 11.931 ( 3.676 0.000 -5.411) 6.541 12.053 ( -6.897 0.000 -4.807) 8.407 12.591 ( 3.435 0.000 4.939) 6.016 12.617 ( 1.351 0.000 3.313) 3.578 12.877 ( 0.168 0.000 0.395) 0.429 12.881 ( -0.216 0.000 0.003) 0.216 13.129 ( -0.536 0.000 -6.126) 6.150 13.132 ( -0.637 0.000 -6.942) 6.971 13.357 ( 0.225 0.000 -8.072) 8.075 13.361 ( -0.206 0.000 -8.015) 8.018 14.044 ( 0.902 0.000 -14.054) 14.083 14.067 ( -1.376 0.000 -15.609) 15.669 14.717 ( 10.124 0.000 29.738) 31.414 14.952 ( -13.181 0.000 20.096) 24.033 15.250 ( 0.717 0.000 -9.741) 9.767 15.265 ( -0.788 0.000 -9.930) 9.961 15.429 ( 0.597 0.000 -6.912) 6.938 15.453 ( -2.071 0.000 -6.083) 6.425 15.798 ( 1.093 0.000 -3.926) 4.075 15.805 ( 7.659 0.000 -8.819) 11.680 15.819 ( -1.007 0.000 -4.283) 4.400 15.930 ( -5.393 0.000 -9.195) 10.660 16.230 ( 2.364 0.000 -8.267) 8.598 16.267 ( -1.452 0.000 -7.773) 7.907 16.806 ( 1.411 0.000 -7.338) 7.473 16.836 ( -1.421 0.000 -8.161) 8.284 16.862 ( 0.469 0.000 -9.937) 9.948 16.872 ( -0.592 0.000 -9.820) 9.838 19.393 ( 3.483 0.000 2.939) 4.557 19.461 ( -3.253 0.000 1.893) 3.763 19.712 ( 0.199 0.000 1.738) 1.749 19.716 ( -0.200 0.000 1.722) 1.733 19.992 ( 0.317 0.000 -2.726) 2.745 19.998 ( -0.316 0.000 -2.778) 2.796 20.007 ( 6.019 0.000 3.084) 6.763 20.117 ( -4.563 0.000 -5.633) 7.249 20.533 ( 3.468 0.000 7.461) 8.227 20.656 ( -9.406 0.000 10.231) 13.898 21.146 ( 1.994 0.000 -2.177) 2.952 21.176 ( -0.663 0.000 -2.340) 2.433 21.318 ( 0.431 0.000 1.419) 1.483 21.345 ( -2.617 0.000 2.231) 3.440 21.639 ( 3.940 0.000 -3.563) 5.313 21.689 ( -1.552 0.000 -3.664) 3.979 ======================= Grid point 45 (19/40) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 6.739 24.437) 25.349 1.159 ( 0.000 9.392 19.823) 21.936 1.337 ( 0.000 4.778 12.506) 13.388 1.652 ( 0.000 1.595 10.117) 10.242 1.988 ( 0.000 -1.199 4.903) 5.047 2.005 ( 0.000 9.094 6.660) 11.272 2.148 ( 0.000 7.106 5.215) 8.815 2.216 ( 0.000 3.453 22.839) 23.099 2.245 ( 0.000 12.711 29.145) 31.796 2.588 ( 0.000 -4.439 -0.835) 4.517 2.695 ( 0.000 8.825 -1.231) 8.910 2.749 ( 0.000 2.623 13.028) 13.289 2.891 ( 0.000 8.186 -0.493) 8.201 2.945 ( 0.000 1.210 -7.217) 7.318 2.995 ( 0.000 -4.018 -5.803) 7.058 3.008 ( 0.000 -7.366 11.933) 14.023 3.057 ( 0.000 -2.294 -2.833) 3.646 3.077 ( 0.000 -0.025 -3.610) 3.611 3.171 ( 0.000 2.830 -10.999) 11.358 3.191 ( 0.000 -2.584 -4.974) 5.605 3.254 ( 0.000 5.633 9.611) 11.140 3.270 ( 0.000 1.462 -6.744) 6.901 3.354 ( 0.000 2.123 -4.196) 4.702 3.407 ( 0.000 0.044 -6.652) 6.652 3.501 ( 0.000 1.882 2.814) 3.385 3.510 ( 0.000 1.996 -9.342) 9.553 3.565 ( 0.000 1.986 1.279) 2.362 3.667 ( 0.000 -0.844 -2.424) 2.567 3.696 ( 0.000 -5.381 1.060) 5.485 3.834 ( 0.000 -3.209 4.112) 5.216 3.908 ( 0.000 5.960 -0.712) 6.002 3.975 ( 0.000 4.783 -2.281) 5.299 3.992 ( 0.000 4.816 -3.779) 6.121 4.000 ( 0.000 0.996 -5.480) 5.570 4.178 ( 0.000 0.527 -11.664) 11.676 4.266 ( 0.000 -4.013 -3.400) 5.260 4.350 ( 0.000 6.019 6.986) 9.221 4.463 ( 0.000 -0.705 3.238) 3.314 4.499 ( 0.000 12.201 1.359) 12.277 4.786 ( 0.000 -0.486 1.976) 2.035 4.811 ( 0.000 -5.058 11.034) 12.138 4.900 ( 0.000 -4.425 2.664) 5.165 5.016 ( 0.000 4.717 11.704) 12.619 5.026 ( 0.000 -7.968 6.254) 10.129 5.093 ( 0.000 2.838 13.229) 13.530 5.213 ( 0.000 2.263 0.988) 2.470 5.276 ( 0.000 2.910 0.590) 2.970 5.412 ( 0.000 6.299 -0.616) 6.330 5.517 ( 0.000 -9.721 8.877) 13.164 5.612 ( 0.000 -0.548 8.349) 8.367 5.675 ( 0.000 -2.089 3.200) 3.822 5.676 ( 0.000 -0.211 6.358) 6.362 5.768 ( 0.000 -0.812 3.735) 3.822 5.859 ( 0.000 -5.036 -1.593) 5.282 5.972 ( 0.000 2.614 2.286) 3.472 6.054 ( 0.000 0.189 0.397) 0.440 6.124 ( 0.000 -2.456 4.998) 5.569 6.211 ( 0.000 -4.844 -8.509) 9.791 6.296 ( 0.000 -5.483 2.621) 6.078 6.313 ( 0.000 -0.717 -6.516) 6.555 6.395 ( 0.000 -0.924 -2.059) 2.257 6.405 ( 0.000 -4.370 -3.860) 5.831 6.641 ( 0.000 -1.824 -2.409) 3.021 6.752 ( 0.000 -3.295 1.057) 3.461 6.928 ( 0.000 2.539 1.997) 3.230 6.962 ( 0.000 -2.244 5.719) 6.143 7.084 ( 0.000 -8.239 1.337) 8.347 7.140 ( 0.000 -4.876 2.452) 5.458 7.446 ( 0.000 8.640 -2.562) 9.012 7.537 ( 0.000 3.952 -3.699) 5.413 7.885 ( 0.000 2.445 -4.976) 5.544 7.962 ( 0.000 -1.337 -4.489) 4.684 8.581 ( 0.000 2.049 -8.095) 8.351 8.582 ( 0.000 5.248 -8.136) 9.682 9.060 ( 0.000 2.332 2.271) 3.255 9.121 ( 0.000 -3.849 -0.628) 3.899 9.146 ( 0.000 0.432 4.844) 4.863 9.385 ( 0.000 3.252 3.417) 4.717 9.395 ( 0.000 -3.530 5.769) 6.764 9.462 ( 0.000 0.274 5.523) 5.530 9.529 ( 0.000 -2.099 5.410) 5.803 9.587 ( 0.000 0.350 -3.774) 3.791 9.635 ( 0.000 -1.118 2.763) 2.981 9.707 ( 0.000 3.787 3.812) 5.373 9.760 ( 0.000 0.250 -0.080) 0.262 9.805 ( 0.000 -0.613 -1.564) 1.680 9.979 ( 0.000 -0.076 4.600) 4.600 10.013 ( 0.000 7.874 -0.906) 7.926 10.038 ( 0.000 -1.309 16.016) 16.069 10.047 ( 0.000 1.628 19.171) 19.240 10.129 ( 0.000 2.542 2.109) 3.303 10.192 ( 0.000 4.372 12.317) 13.070 10.318 ( 0.000 0.854 13.532) 13.559 10.331 ( 0.000 6.802 -2.080) 7.113 10.475 ( 0.000 -4.247 12.188) 12.906 10.513 ( 0.000 2.829 7.632) 8.139 10.566 ( 0.000 0.642 12.469) 12.486 10.574 ( 0.000 3.990 7.822) 8.781 10.665 ( 0.000 -0.578 12.756) 12.769 10.713 ( 0.000 4.185 8.071) 9.092 10.802 ( 0.000 1.570 12.394) 12.494 10.901 ( 0.000 0.651 8.659) 8.684 10.980 ( 0.000 -1.454 6.275) 6.441 10.997 ( 0.000 2.688 2.005) 3.353 11.223 ( 0.000 -1.064 -0.229) 1.089 11.230 ( 0.000 5.470 6.483) 8.482 11.310 ( 0.000 0.405 5.435) 5.450 11.399 ( 0.000 3.477 3.371) 4.843 11.499 ( 0.000 -6.365 13.103) 14.567 11.702 ( 0.000 -2.736 6.823) 7.351 11.847 ( 0.000 7.663 10.975) 13.386 11.881 ( 0.000 5.091 7.704) 9.234 11.962 ( 0.000 3.529 -3.605) 5.045 12.175 ( 0.000 4.788 -3.162) 5.738 12.464 ( 0.000 -7.088 6.644) 9.715 12.500 ( 0.000 -5.963 2.706) 6.548 12.932 ( 0.000 4.086 -1.123) 4.238 12.976 ( 0.000 6.728 -0.981) 6.799 13.130 ( 0.000 -1.133 -7.029) 7.119 13.139 ( 0.000 -1.246 -5.468) 5.608 13.390 ( 0.000 4.625 -8.181) 9.398 13.410 ( 0.000 6.163 -6.622) 9.046 14.052 ( 0.000 1.710 -13.259) 13.369 14.086 ( 0.000 0.372 -15.947) 15.951 14.582 ( 0.000 -3.469 29.872) 30.072 15.105 ( 0.000 0.691 9.311) 9.337 15.126 ( 0.000 -9.967 -9.083) 13.485 15.173 ( 0.000 -8.729 -9.327) 12.774 15.407 ( 0.000 -12.782 -3.145) 13.164 15.524 ( 0.000 -3.415 -0.806) 3.509 15.555 ( 0.000 3.907 -9.364) 10.146 15.768 ( 0.000 -4.181 -4.676) 6.273 15.775 ( 0.000 -7.089 2.388) 7.481 15.892 ( 0.000 -6.121 -10.107) 11.816 16.251 ( 0.000 3.108 -8.300) 8.863 16.303 ( 0.000 1.287 -6.565) 6.690 16.771 ( 0.000 -1.425 -7.898) 8.025 16.819 ( 0.000 -2.449 -9.577) 9.885 16.864 ( 0.000 1.221 -9.189) 9.270 16.879 ( 0.000 0.862 -11.206) 11.239 19.360 ( 0.000 0.465 3.825) 3.853 19.486 ( 0.000 -0.886 1.683) 1.902 19.632 ( 0.000 -5.757 5.173) 7.740 19.677 ( 0.000 -3.696 3.236) 4.913 20.004 ( 0.000 1.503 -2.987) 3.344 20.012 ( 0.000 1.043 -3.055) 3.228 20.013 ( 0.000 4.509 0.089) 4.510 20.149 ( 0.000 -1.251 -9.068) 9.154 20.527 ( 0.000 1.831 5.442) 5.742 20.750 ( 0.000 -2.999 6.392) 7.060 21.082 ( 0.000 -6.232 -0.112) 6.233 21.106 ( 0.000 -7.263 -0.876) 7.316 21.331 ( 0.000 0.834 1.167) 1.434 21.358 ( 0.000 0.665 0.662) 0.938 21.572 ( 0.000 -0.537 -2.542) 2.598 21.655 ( 0.000 -4.050 -3.051) 5.070 ======================= Grid point 46 (20/40) ======================= q-point: ( 0.33 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 1.766 4.327 22.058) 22.547 1.201 ( -4.775 0.693 18.842) 19.450 1.348 ( 7.155 12.930 18.086) 23.355 1.532 ( -10.352 8.941 13.509) 19.225 2.000 ( 0.735 0.124 2.696) 2.797 2.008 ( -0.050 4.084 4.427) 6.023 2.249 ( 9.640 3.113 12.423) 16.029 2.353 ( 12.221 6.379 10.174) 17.134 2.422 ( 13.822 6.993 18.925) 24.456 2.462 ( -7.048 2.672 15.239) 17.001 2.590 ( -10.374 5.066 1.809) 11.686 2.804 ( -13.179 6.792 17.485) 22.925 2.831 ( -1.900 0.448 4.571) 4.970 2.865 ( -0.083 6.061 -1.907) 6.354 2.944 ( -0.471 3.617 -1.407) 3.909 2.991 ( -3.022 -4.499 2.672) 6.043 3.003 ( 2.103 -3.342 -1.723) 4.308 3.081 ( -5.402 0.264 -6.297) 8.301 3.173 ( 3.970 -0.202 -7.529) 8.514 3.191 ( 0.455 -3.965 -5.650) 6.918 3.234 ( 0.216 -0.580 -3.057) 3.119 3.299 ( -3.610 -0.480 -9.299) 9.987 3.383 ( 2.619 2.683 -3.748) 5.302 3.426 ( -0.630 2.269 -3.225) 3.993 3.464 ( 3.327 3.740 -6.118) 7.905 3.516 ( -2.217 3.111 -4.188) 5.669 3.585 ( 0.813 -0.741 0.159) 1.111 3.608 ( 0.499 -0.543 2.305) 2.420 3.817 ( 5.801 -0.913 -4.040) 7.128 3.895 ( 3.050 -1.512 0.949) 3.534 3.909 ( -3.525 0.993 -3.477) 5.050 3.934 ( 0.849 -3.098 0.722) 3.293 3.964 ( 1.553 7.011 -4.218) 8.328 4.055 ( -0.429 4.898 -9.015) 10.269 4.131 ( -3.701 -4.440 -1.494) 5.970 4.183 ( -3.792 -0.000 -5.945) 7.052 4.399 ( 3.412 8.312 7.008) 11.395 4.466 ( -2.612 8.976 2.836) 9.769 4.580 ( 9.349 -1.161 -0.808) 9.455 4.737 ( -6.310 -3.271 -2.679) 7.595 4.854 ( 4.364 -1.183 15.773) 16.408 4.911 ( -0.617 -2.935 8.955) 9.444 5.006 ( -0.180 -1.057 5.695) 5.795 5.020 ( -0.860 -3.276 6.091) 6.969 5.109 ( 2.769 3.754 11.899) 12.780 5.186 ( -3.789 3.079 3.852) 6.220 5.287 ( 2.488 3.464 0.806) 4.340 5.361 ( -4.542 5.759 -0.838) 7.382 5.530 ( 1.314 -8.645 8.067) 11.897 5.566 ( -2.534 -5.437 6.348) 8.734 5.666 ( 0.503 0.137 6.569) 6.589 5.697 ( -1.515 0.619 8.980) 9.128 5.807 ( 5.256 -0.747 3.462) 6.338 5.896 ( -1.580 -3.816 -0.081) 4.131 5.993 ( 5.053 -1.262 -0.369) 5.222 6.079 ( 4.779 1.395 -1.344) 5.157 6.132 ( -7.123 -4.677 -6.409) 10.662 6.167 ( 2.026 -3.480 2.637) 4.813 6.224 ( -6.370 1.221 -2.362) 6.903 6.246 ( -3.713 -2.748 1.399) 4.827 6.420 ( 2.566 -3.650 -4.514) 6.347 6.443 ( 0.783 -3.870 -4.212) 5.774 6.697 ( 4.411 -2.490 -2.255) 5.545 6.754 ( -0.817 -2.989 -0.329) 3.116 6.913 ( -0.923 2.022 2.382) 3.258 6.926 ( -2.143 -1.803 6.618) 7.186 7.109 ( 1.767 -7.220 2.084) 7.719 7.133 ( -0.769 -5.647 2.508) 6.226 7.475 ( 2.567 7.378 -3.115) 8.409 7.520 ( -1.843 4.992 -3.628) 6.441 7.903 ( 1.776 1.776 -4.744) 5.368 7.941 ( -1.977 -0.054 -4.483) 4.900 8.580 ( 0.425 3.118 -7.977) 8.575 8.588 ( -0.120 3.638 -8.249) 9.016 9.058 ( 1.631 0.050 2.974) 3.392 9.115 ( -2.363 -2.872 2.088) 4.265 9.210 ( 5.611 0.865 4.397) 7.181 9.326 ( -5.638 -1.013 5.158) 7.709 9.373 ( 0.246 0.861 1.629) 1.859 9.454 ( -7.086 0.630 1.232) 7.220 9.494 ( 3.461 2.502 2.397) 4.897 9.547 ( -0.820 -1.840 4.621) 5.041 9.690 ( 1.747 -0.996 -0.774) 2.155 9.702 ( 0.733 1.137 2.473) 2.819 9.759 ( -0.293 1.088 1.015) 1.517 9.794 ( -2.632 2.219 2.580) 4.302 9.943 ( -0.417 -0.920 8.138) 8.200 9.957 ( -1.783 1.755 4.831) 5.440 10.043 ( 1.612 5.444 12.583) 13.805 10.075 ( -1.443 3.865 12.030) 12.718 10.211 ( 3.254 2.207 5.427) 6.702 10.243 ( 1.532 0.208 11.216) 11.322 10.313 ( 5.105 1.662 5.972) 8.030 10.384 ( 1.187 -0.619 8.850) 8.951 10.480 ( -0.584 0.230 5.931) 5.964 10.487 ( 0.404 -1.597 8.674) 8.830 10.555 ( 1.207 2.689 9.225) 9.685 10.611 ( -1.693 3.346 10.217) 10.884 10.683 ( 2.909 1.390 8.916) 9.481 10.720 ( 0.845 3.732 9.239) 10.000 10.782 ( -1.595 1.875 11.837) 12.091 10.852 ( -9.282 4.601 5.518) 11.738 10.910 ( 0.980 0.812 8.520) 8.614 10.947 ( -2.768 0.451 7.372) 7.887 11.228 ( 1.121 1.086 4.157) 4.440 11.242 ( -0.125 0.018 3.474) 3.477 11.377 ( 3.317 1.443 4.061) 5.439 11.406 ( 0.068 1.832 3.466) 3.921 11.564 ( 6.002 -4.474 12.014) 14.156 11.668 ( -3.998 -2.611 9.497) 10.630 11.836 ( 0.383 5.379 9.508) 10.931 11.865 ( -1.668 5.211 8.857) 10.411 11.993 ( 3.965 5.566 -2.806) 7.388 12.105 ( -6.635 4.483 -4.556) 9.213 12.497 ( 2.926 -7.015 4.897) 9.041 12.523 ( 0.613 -6.815 2.856) 7.415 12.951 ( 1.616 4.856 -1.581) 5.356 12.973 ( -0.522 6.265 -1.266) 6.413 13.125 ( -0.231 -0.986 -6.633) 6.710 13.130 ( -0.722 -0.716 -5.639) 5.730 13.394 ( 0.394 4.870 -7.877) 9.270 13.404 ( -0.582 5.635 -7.112) 9.093 14.058 ( 0.650 1.460 -13.889) 13.981 14.074 ( -0.993 0.811 -15.124) 15.178 14.678 ( 9.787 -3.934 27.597) 29.544 14.915 ( -14.278 -4.070 19.153) 24.234 15.145 ( 0.919 -8.930 -8.683) 12.489 15.163 ( -0.875 -8.785 -9.197) 12.749 15.452 ( 2.451 -2.219 -6.296) 7.111 15.490 ( -1.873 1.412 -5.560) 6.034 15.641 ( 5.805 -6.509 -6.083) 10.633 15.728 ( -3.316 -7.170 -3.745) 8.743 15.815 ( 2.911 -4.461 -3.254) 6.242 15.868 ( -2.357 -5.113 -8.509) 10.203 16.265 ( 1.365 2.363 -7.687) 8.157 16.291 ( -1.159 1.514 -6.866) 7.126 16.782 ( 1.087 -1.638 -8.143) 8.377 16.805 ( -1.237 -2.121 -8.858) 9.192 16.870 ( 0.459 1.096 -10.039) 10.109 16.877 ( -0.249 0.977 -10.917) 10.964 19.390 ( 2.937 -0.121 3.273) 4.400 19.452 ( -3.120 -0.855 2.344) 3.995 19.649 ( 1.331 -5.008 4.332) 6.755 19.670 ( -0.808 -4.056 3.493) 5.413 20.003 ( 0.220 1.326 -2.808) 3.113 20.009 ( -0.297 1.085 -3.016) 3.219 20.054 ( 3.653 2.874 -2.255) 5.166 20.122 ( -2.892 -0.142 -7.011) 7.585 20.555 ( 3.402 1.809 7.138) 8.112 20.660 ( -7.229 -0.117 8.597) 11.233 21.093 ( 1.132 -6.698 -0.920) 6.855 21.111 ( -0.286 -7.364 -1.014) 7.439 21.331 ( 0.059 1.233 1.048) 1.620 21.340 ( -1.035 1.739 0.692) 2.139 21.607 ( 2.608 -2.415 -3.009) 4.657 21.644 ( -1.261 -3.755 -3.122) 5.043 ======================= Grid point 48 (21/40) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 7.244 13.982) 15.747 1.323 ( 0.000 10.497 18.651) 21.402 1.550 ( 0.000 13.130 15.756) 20.509 1.662 ( 0.000 -0.708 9.440) 9.466 1.920 ( 0.000 -5.405 6.497) 8.451 2.162 ( 0.000 6.007 5.549) 8.178 2.269 ( 0.000 1.367 6.500) 6.642 2.315 ( 0.000 7.923 16.654) 18.443 2.438 ( 0.000 -10.118 1.288) 10.199 2.532 ( 0.000 13.008 4.548) 13.780 2.715 ( 0.000 -6.670 -7.450) 9.999 2.788 ( 0.000 -10.582 5.836) 12.085 2.830 ( 0.000 3.291 17.435) 17.743 2.883 ( 0.000 0.683 4.993) 5.040 3.000 ( 0.000 5.374 13.410) 14.447 3.007 ( 0.000 -1.297 -1.742) 2.172 3.077 ( 0.000 -1.421 -4.281) 4.511 3.121 ( 0.000 -0.702 -3.571) 3.639 3.179 ( 0.000 3.887 2.576) 4.663 3.228 ( 0.000 3.480 -12.832) 13.296 3.386 ( 0.000 13.120 -4.515) 13.875 3.397 ( 0.000 -0.398 0.970) 1.049 3.424 ( 0.000 2.892 -4.818) 5.620 3.520 ( 0.000 9.303 -4.611) 10.383 3.530 ( 0.000 5.786 1.839) 6.072 3.560 ( 0.000 7.618 4.059) 8.632 3.633 ( 0.000 4.379 -1.157) 4.529 3.689 ( 0.000 3.221 5.570) 6.434 3.710 ( 0.000 10.134 -0.124) 10.135 3.745 ( 0.000 -5.447 2.681) 6.071 3.948 ( 0.000 0.461 1.947) 2.001 4.014 ( 0.000 0.709 -0.065) 0.712 4.106 ( 0.000 5.161 -2.766) 5.855 4.115 ( 0.000 8.049 -4.102) 9.034 4.219 ( 0.000 0.694 -5.662) 5.704 4.239 ( 0.000 5.158 -12.097) 13.151 4.441 ( 0.000 1.310 1.749) 2.185 4.469 ( 0.000 2.842 7.712) 8.219 4.690 ( 0.000 -3.367 2.268) 4.059 4.725 ( 0.000 5.790 0.710) 5.833 4.826 ( 0.000 -2.927 2.688) 3.974 4.835 ( 0.000 4.912 6.724) 8.327 4.935 ( 0.000 -2.317 5.401) 5.877 5.035 ( 0.000 -4.605 8.374) 9.556 5.110 ( 0.000 -3.781 7.185) 8.119 5.266 ( 0.000 1.264 -0.605) 1.401 5.317 ( 0.000 2.643 -1.094) 2.860 5.319 ( 0.000 -7.316 13.118) 15.020 5.473 ( 0.000 0.602 2.060) 2.146 5.507 ( 0.000 -5.505 4.073) 6.848 5.640 ( 0.000 -4.608 1.558) 4.865 5.727 ( 0.000 2.023 4.385) 4.829 5.743 ( 0.000 0.220 -0.560) 0.602 5.746 ( 0.000 -4.791 4.118) 6.318 6.010 ( 0.000 -1.949 -1.584) 2.511 6.036 ( 0.000 -1.086 3.943) 4.090 6.050 ( 0.000 -5.533 1.975) 5.875 6.080 ( 0.000 -5.755 -2.436) 6.249 6.182 ( 0.000 -5.278 0.259) 5.284 6.326 ( 0.000 -4.458 -4.396) 6.262 6.355 ( 0.000 5.101 -0.258) 5.108 6.398 ( 0.000 2.058 -4.071) 4.562 6.568 ( 0.000 -3.950 2.370) 4.606 6.700 ( 0.000 -3.052 1.330) 3.329 6.872 ( 0.000 -4.515 7.991) 9.178 6.932 ( 0.000 -7.538 2.688) 8.003 6.981 ( 0.000 0.662 -1.150) 1.327 7.044 ( 0.000 -4.271 2.377) 4.888 7.591 ( 0.000 5.957 -3.489) 6.903 7.649 ( 0.000 7.575 -2.616) 8.014 7.864 ( 0.000 -4.398 -3.818) 5.824 7.945 ( 0.000 -0.423 -3.709) 3.733 8.657 ( 0.000 5.420 -5.347) 7.613 8.701 ( 0.000 6.595 -5.176) 8.383 9.016 ( 0.000 -5.497 2.305) 5.960 9.052 ( 0.000 -3.140 3.777) 4.912 9.203 ( 0.000 3.849 -0.094) 3.850 9.346 ( 0.000 -1.210 3.897) 4.081 9.437 ( 0.000 2.187 5.297) 5.731 9.483 ( 0.000 -2.173 2.964) 3.675 9.494 ( 0.000 1.947 4.352) 4.768 9.551 ( 0.000 -2.377 -3.201) 3.987 9.650 ( 0.000 2.234 3.098) 3.819 9.698 ( 0.000 -5.504 1.180) 5.629 9.783 ( 0.000 3.634 6.832) 7.738 9.823 ( 0.000 1.906 5.478) 5.800 9.994 ( 0.000 -2.597 14.807) 15.033 10.019 ( 0.000 0.283 0.424) 0.510 10.081 ( 0.000 3.857 22.392) 22.722 10.149 ( 0.000 0.151 9.716) 9.717 10.158 ( 0.000 4.647 2.537) 5.294 10.227 ( 0.000 0.546 15.856) 15.866 10.340 ( 0.000 -4.706 13.245) 14.056 10.421 ( 0.000 5.531 7.903) 9.646 10.423 ( 0.000 0.791 0.353) 0.866 10.570 ( 0.000 2.884 10.506) 10.895 10.595 ( 0.000 2.197 8.751) 9.023 10.660 ( 0.000 3.425 10.831) 11.360 10.690 ( 0.000 3.175 11.868) 12.286 10.784 ( 0.000 2.782 7.012) 7.544 10.850 ( 0.000 1.790 11.086) 11.230 10.938 ( 0.000 -2.324 2.633) 3.512 10.977 ( 0.000 8.718 4.915) 10.008 11.065 ( 0.000 4.302 0.932) 4.402 11.219 ( 0.000 0.209 0.461) 0.506 11.304 ( 0.000 -1.190 3.938) 4.113 11.376 ( 0.000 0.436 10.594) 10.603 11.394 ( 0.000 4.208 8.225) 9.239 11.437 ( 0.000 -0.842 8.307) 8.349 11.677 ( 0.000 1.144 4.778) 4.913 11.948 ( 0.000 -0.280 -0.851) 0.896 11.978 ( 0.000 4.554 8.089) 9.283 12.051 ( 0.000 6.565 9.801) 11.796 12.228 ( 0.000 -0.724 1.136) 1.347 12.372 ( 0.000 -0.996 4.321) 4.434 12.406 ( 0.000 -3.456 1.472) 3.757 13.000 ( 0.000 2.795 -4.142) 4.997 13.066 ( 0.000 2.191 -4.036) 4.592 13.083 ( 0.000 -3.475 -8.239) 8.942 13.096 ( 0.000 -2.084 -8.941) 9.181 13.563 ( 0.000 13.026 -5.057) 13.973 13.607 ( 0.000 13.195 -2.337) 13.401 14.097 ( 0.000 0.482 -13.482) 13.491 14.097 ( 0.000 2.503 -12.234) 12.488 14.497 ( 0.000 -4.635 21.959) 22.443 14.904 ( 0.000 -12.438 -8.167) 14.879 14.976 ( 0.000 -11.095 -10.392) 15.201 15.031 ( 0.000 -20.259 4.450) 20.742 15.138 ( 0.000 3.038 7.980) 8.539 15.509 ( 0.000 -2.602 -1.926) 3.237 15.552 ( 0.000 -3.982 -7.777) 8.737 15.580 ( 0.000 -10.391 3.508) 10.967 15.777 ( 0.000 5.546 -7.297) 9.166 15.838 ( 0.000 1.119 -10.828) 10.885 16.241 ( 0.000 -4.874 -8.014) 9.380 16.266 ( 0.000 -5.757 -6.701) 8.834 16.783 ( 0.000 3.265 -9.579) 10.121 16.825 ( 0.000 3.189 -10.998) 11.451 16.897 ( 0.000 1.933 -9.876) 10.063 16.906 ( 0.000 1.480 -11.925) 12.016 19.376 ( 0.000 1.353 3.889) 4.118 19.466 ( 0.000 -1.018 2.328) 2.541 19.532 ( 0.000 -4.386 6.048) 7.471 19.591 ( 0.000 -5.047 4.229) 6.584 20.038 ( 0.000 1.523 -3.821) 4.114 20.042 ( 0.000 2.290 -3.932) 4.551 20.071 ( 0.000 1.578 -4.858) 5.108 20.114 ( 0.000 -1.969 -7.638) 7.888 20.557 ( 0.000 1.121 5.721) 5.829 20.682 ( 0.000 -3.456 6.225) 7.120 20.898 ( 0.000 -10.691 3.404) 11.220 20.910 ( 0.000 -12.094 1.922) 12.246 21.381 ( 0.000 4.113 -1.276) 4.306 21.419 ( 0.000 4.070 -2.362) 4.706 21.558 ( 0.000 -0.922 -2.908) 3.050 21.583 ( 0.000 -3.163 -2.911) 4.298 ======================= Grid point 49 (22/40) ======================= q-point: ( 0.33 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.367 9.902 16.619) 19.349 1.309 ( -3.574 9.974 17.644) 20.581 1.588 ( 4.869 11.243 14.438) 18.936 1.670 ( -1.690 5.183 10.555) 11.880 1.948 ( 3.322 -5.607 6.797) 9.416 2.045 ( -6.747 -0.597 8.793) 11.099 2.321 ( 2.695 1.172 5.499) 6.235 2.370 ( -0.318 -6.549 3.504) 7.435 2.467 ( 7.170 4.367 6.869) 10.848 2.617 ( -5.095 0.597 -0.420) 5.147 2.670 ( 8.003 5.844 2.171) 10.145 2.779 ( -2.124 -6.325 3.641) 7.601 2.829 ( 0.751 0.413 8.613) 8.656 2.880 ( 1.117 -0.336 8.219) 8.301 2.933 ( -3.269 1.861 15.202) 15.661 2.973 ( -8.949 1.963 -2.663) 9.541 3.103 ( 3.588 -1.127 -5.497) 6.660 3.127 ( 1.862 -0.365 -6.563) 6.832 3.215 ( 2.115 7.541 -2.417) 8.196 3.245 ( 1.177 7.404 7.302) 10.466 3.356 ( -2.478 14.445 0.317) 14.660 3.375 ( -4.214 9.044 3.540) 10.587 3.407 ( 0.464 -1.347 2.144) 2.574 3.447 ( -3.365 -3.053 2.296) 5.090 3.535 ( 1.460 8.678 -5.390) 10.319 3.590 ( -2.524 6.160 -3.913) 7.722 3.635 ( 0.703 5.262 -2.730) 5.970 3.659 ( 1.268 5.045 0.987) 5.295 3.786 ( 4.929 -0.700 -3.173) 5.904 3.814 ( 5.608 -0.156 1.484) 5.803 3.914 ( -2.276 0.248 -1.543) 2.761 3.959 ( -5.285 -0.088 -1.165) 5.413 4.084 ( 1.076 5.522 -1.381) 5.793 4.116 ( -3.366 3.471 -3.008) 5.694 4.163 ( -0.402 5.645 -7.045) 9.036 4.223 ( -4.257 3.587 -9.302) 10.841 4.485 ( 4.872 -1.146 3.274) 5.981 4.519 ( 2.422 2.809 5.691) 6.793 4.686 ( 0.424 0.958 1.151) 1.556 4.725 ( -2.230 6.788 -2.291) 7.503 4.833 ( 1.939 -1.952 6.090) 6.683 4.860 ( 0.044 -1.800 8.993) 9.171 4.972 ( 4.313 1.067 5.364) 6.965 5.034 ( -1.212 -0.512 6.947) 7.070 5.130 ( 2.774 -4.302 6.102) 7.965 5.213 ( -5.265 -2.239 4.726) 7.421 5.315 ( 3.578 -0.883 -0.961) 3.809 5.384 ( 2.926 -3.103 7.781) 8.873 5.413 ( -5.273 0.311 1.233) 5.424 5.451 ( -3.665 -2.932 6.841) 8.296 5.678 ( 1.429 0.554 5.475) 5.685 5.706 ( -1.499 0.249 3.988) 4.268 5.755 ( 2.734 -8.301 -3.569) 9.440 5.778 ( 1.030 -3.767 1.645) 4.237 5.990 ( -0.839 -0.780 1.758) 2.098 6.016 ( -3.121 -6.985 -2.439) 8.030 6.071 ( 1.396 -3.182 3.161) 4.698 6.079 ( 1.211 -3.480 2.314) 4.351 6.187 ( 1.523 -2.105 0.401) 2.629 6.264 ( -5.683 -0.188 -2.059) 6.048 6.371 ( 2.123 0.928 -3.715) 4.378 6.399 ( -0.471 0.750 -4.468) 4.555 6.634 ( 4.930 -3.364 2.456) 6.454 6.696 ( -1.217 -3.509 2.137) 4.285 6.874 ( 0.769 -3.270 5.462) 6.412 6.910 ( -2.418 -2.387 1.061) 3.559 6.991 ( 1.592 -4.447 2.149) 5.189 7.027 ( -1.707 -4.807 2.648) 5.748 7.609 ( 1.621 6.157 -3.426) 7.230 7.637 ( -1.197 6.969 -2.974) 7.671 7.886 ( 2.066 -3.474 -3.755) 5.517 7.926 ( -1.875 -1.506 -3.715) 4.425 8.666 ( 1.112 5.871 -4.544) 7.507 8.691 ( -1.128 6.493 -4.447) 7.951 9.015 ( 0.875 -4.094 1.481) 4.441 9.048 ( -1.554 -4.110 2.169) 4.900 9.241 ( 3.907 2.291 2.020) 4.959 9.317 ( -3.153 0.347 3.296) 4.575 9.399 ( 0.587 1.018 2.058) 2.370 9.461 ( -3.031 -2.169 1.968) 4.215 9.506 ( -1.561 0.237 -0.741) 1.744 9.539 ( -2.017 2.331 4.953) 5.833 9.655 ( 5.006 -0.870 3.995) 6.464 9.716 ( 0.649 -4.223 3.622) 5.601 9.778 ( -0.022 4.268 7.409) 8.551 9.833 ( -4.315 1.869 5.552) 7.276 9.944 ( 2.186 -0.033 4.065) 4.616 9.994 ( -2.680 0.876 9.622) 10.027 10.140 ( 2.892 4.424 19.596) 20.296 10.159 ( 0.638 3.467 10.864) 11.421 10.215 ( 3.990 0.130 11.029) 11.730 10.270 ( 3.552 0.203 8.815) 9.506 10.303 ( -3.270 -5.225 13.254) 14.617 10.348 ( -3.418 1.367 2.930) 4.705 10.474 ( 0.673 -0.569 4.090) 4.184 10.508 ( -4.089 2.010 7.313) 8.616 10.594 ( 2.860 2.209 11.458) 12.015 10.659 ( -2.053 2.722 14.466) 14.863 10.771 ( 5.694 4.951 9.740) 12.321 10.801 ( 3.279 2.637 7.646) 8.727 10.840 ( -1.533 3.485 9.558) 10.288 10.909 ( -5.316 1.586 5.349) 7.706 10.981 ( 0.448 7.490 3.356) 8.219 11.006 ( -2.730 6.271 1.270) 6.956 11.223 ( 0.246 -1.463 1.260) 1.946 11.240 ( -1.907 -1.211 3.607) 4.256 11.402 ( 1.003 -1.421 9.579) 9.736 11.422 ( -0.928 -1.083 8.936) 9.049 11.530 ( 9.001 3.402 6.522) 11.625 11.655 ( -3.518 2.424 6.516) 7.792 11.910 ( 0.210 0.973 3.367) 3.511 11.960 ( -3.021 3.101 5.137) 6.718 12.103 ( 3.618 5.446 5.957) 8.845 12.173 ( -4.181 2.307 2.067) 5.204 12.395 ( 1.991 -2.796 3.649) 5.010 12.417 ( 0.095 -3.746 2.332) 4.414 13.017 ( 1.605 2.069 -4.969) 5.617 13.048 ( -1.516 0.980 -5.620) 5.903 13.091 ( 0.490 -1.750 -6.942) 7.176 13.096 ( -0.062 -2.023 -8.120) 8.369 13.572 ( 0.936 13.111 -4.427) 13.870 13.594 ( -1.215 13.201 -3.058) 13.605 14.096 ( -0.047 1.159 -12.937) 12.989 14.096 ( -0.086 1.956 -12.426) 12.579 14.578 ( 8.382 -5.725 20.032) 22.457 14.787 ( -12.990 -8.824 13.433) 20.666 14.937 ( 0.636 -12.559 -8.185) 15.004 14.962 ( -1.472 -11.667 -9.682) 15.232 15.325 ( 10.098 -5.471 -0.560) 11.498 15.463 ( -4.763 -3.639 -3.625) 7.005 15.563 ( 0.653 -4.976 -3.879) 6.343 15.574 ( -0.523 -8.792 0.934) 8.857 15.792 ( 1.533 4.218 -7.877) 9.066 15.824 ( -1.447 1.941 -9.685) 9.983 16.247 ( 0.582 -5.136 -7.647) 9.230 16.259 ( -0.662 -5.580 -6.987) 8.966 16.793 ( 0.950 3.255 -9.805) 10.375 16.814 ( -1.087 3.224 -10.447) 10.987 16.901 ( 0.315 1.779 -10.620) 10.772 16.905 ( -0.112 1.584 -11.524) 11.633 19.395 ( 1.845 0.738 3.707) 4.206 19.437 ( -2.369 -0.474 3.199) 4.008 19.554 ( 1.690 -4.571 5.082) 7.041 19.581 ( -1.078 -4.930 4.443) 6.724 20.037 ( -0.088 1.708 -3.767) 4.137 20.038 ( -0.206 2.043 -3.843) 4.357 20.086 ( 1.231 0.611 -5.698) 5.862 20.106 ( -0.797 -1.152 -7.059) 7.197 20.581 ( 2.488 0.675 6.325) 6.830 20.642 ( -3.534 -1.471 6.724) 7.737 20.904 ( 0.541 -11.296 2.552) 11.593 20.911 ( -0.102 -11.976 2.166) 12.171 21.388 ( 0.725 4.212 -1.499) 4.530 21.406 ( -1.083 4.244 -2.019) 4.823 21.567 ( 0.758 -1.729 -2.965) 3.515 21.579 ( -0.419 -2.785 -2.946) 4.076 ======================= Grid point 51 (23/40) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.000 8.189 11.368) 14.011 1.508 ( 0.000 5.580 11.850) 13.098 1.647 ( 0.000 1.503 10.876) 10.979 1.781 ( 0.000 -8.633 9.044) 12.503 1.811 ( 0.000 14.515 11.698) 18.642 2.111 ( 0.000 -15.705 5.079) 16.506 2.235 ( 0.000 2.208 0.810) 2.352 2.286 ( 0.000 -3.666 1.388) 3.920 2.482 ( 0.000 7.218 15.360) 16.972 2.600 ( 0.000 -5.857 11.707) 13.090 2.685 ( 0.000 2.666 -0.370) 2.691 2.702 ( 0.000 2.680 -4.026) 4.836 2.871 ( 0.000 1.167 10.226) 10.293 2.887 ( 0.000 -0.404 6.435) 6.448 2.968 ( 0.000 -1.123 -1.132) 1.594 2.990 ( 0.000 -3.674 -1.297) 3.896 3.049 ( 0.000 -2.278 11.232) 11.461 3.053 ( 0.000 -3.600 1.250) 3.811 3.282 ( 0.000 2.231 -12.073) 12.277 3.331 ( 0.000 -1.688 -5.069) 5.343 3.372 ( 0.000 10.625 5.621) 12.020 3.461 ( 0.000 2.986 1.789) 3.481 3.519 ( 0.000 -4.122 2.941) 5.064 3.563 ( 0.000 -4.213 4.244) 5.980 3.674 ( 0.000 5.737 2.651) 6.320 3.681 ( 0.000 4.987 1.219) 5.134 3.757 ( 0.000 6.169 0.396) 6.182 3.779 ( 0.000 4.604 2.530) 5.253 3.828 ( 0.000 9.116 -2.482) 9.448 3.915 ( 0.000 2.519 -5.425) 5.982 3.988 ( 0.000 5.619 2.962) 6.352 4.038 ( 0.000 3.092 3.181) 4.436 4.216 ( 0.000 7.340 -4.857) 8.802 4.252 ( 0.000 4.231 -6.391) 7.664 4.287 ( 0.000 4.435 -6.451) 7.828 4.309 ( 0.000 0.074 -8.578) 8.579 4.472 ( 0.000 5.777 6.930) 9.022 4.539 ( 0.000 3.482 5.102) 6.177 4.586 ( 0.000 -4.818 1.696) 5.108 4.713 ( 0.000 -14.352 7.080) 16.004 4.782 ( 0.000 -0.652 3.929) 3.982 4.843 ( 0.000 0.620 5.970) 6.002 4.897 ( 0.000 -2.090 2.906) 3.579 4.920 ( 0.000 -11.000 3.673) 11.596 5.036 ( 0.000 8.050 2.201) 8.345 5.211 ( 0.000 -7.300 -0.803) 7.344 5.298 ( 0.000 2.149 11.180) 11.384 5.339 ( 0.000 -1.656 4.239) 4.551 5.465 ( 0.000 0.031 7.631) 7.631 5.476 ( 0.000 -1.065 2.896) 3.085 5.590 ( 0.000 4.540 -2.020) 4.969 5.690 ( 0.000 -3.323 -4.028) 5.222 5.716 ( 0.000 1.508 3.291) 3.620 5.798 ( 0.000 2.305 -4.144) 4.742 5.842 ( 0.000 -9.036 -3.709) 9.767 5.915 ( 0.000 -7.477 -0.365) 7.486 6.060 ( 0.000 4.804 2.263) 5.310 6.085 ( 0.000 1.844 4.264) 4.646 6.115 ( 0.000 -2.108 -0.128) 2.112 6.203 ( 0.000 -8.077 -2.473) 8.448 6.465 ( 0.000 5.715 3.250) 6.575 6.493 ( 0.000 6.578 -0.565) 6.603 6.531 ( 0.000 -0.861 4.414) 4.497 6.614 ( 0.000 -5.847 1.592) 6.060 6.792 ( 0.000 -2.939 7.931) 8.458 6.807 ( 0.000 -4.637 5.184) 6.956 6.979 ( 0.000 -0.260 -1.068) 1.099 6.989 ( 0.000 -1.524 0.741) 1.695 7.689 ( 0.000 4.583 -3.080) 5.522 7.774 ( 0.000 -4.510 -2.795) 5.306 7.795 ( 0.000 7.027 -2.672) 7.518 7.904 ( 0.000 -4.033 -3.309) 5.217 8.770 ( 0.000 5.759 -4.005) 7.015 8.815 ( 0.000 3.891 -3.695) 5.366 8.922 ( 0.000 -3.266 2.969) 4.414 8.966 ( 0.000 -5.054 4.227) 6.589 9.278 ( 0.000 3.678 -0.019) 3.678 9.329 ( 0.000 -1.365 1.838) 2.289 9.453 ( 0.000 -0.367 2.986) 3.008 9.470 ( 0.000 -2.287 0.177) 2.294 9.487 ( 0.000 2.828 3.687) 4.647 9.549 ( 0.000 -2.136 4.149) 4.666 9.635 ( 0.000 1.578 1.301) 2.046 9.679 ( 0.000 -0.477 2.153) 2.205 9.842 ( 0.000 2.567 11.117) 11.409 9.852 ( 0.000 1.095 10.093) 10.152 9.943 ( 0.000 -2.011 8.302) 8.543 9.970 ( 0.000 -3.739 6.202) 7.241 10.149 ( 0.000 0.085 17.718) 17.719 10.158 ( 0.000 -1.138 17.094) 17.132 10.173 ( 0.000 4.060 11.025) 11.749 10.234 ( 0.000 -2.600 12.356) 12.627 10.319 ( 0.000 3.681 5.712) 6.795 10.389 ( 0.000 -3.187 4.997) 5.927 10.540 ( 0.000 4.982 7.361) 8.888 10.594 ( 0.000 -0.711 7.069) 7.105 10.642 ( 0.000 2.544 15.047) 15.261 10.682 ( 0.000 -1.004 18.897) 18.924 10.754 ( 0.000 2.856 8.853) 9.302 10.797 ( 0.000 -1.327 10.773) 10.854 10.891 ( 0.000 2.273 1.705) 2.841 10.913 ( 0.000 -0.387 -1.158) 1.221 11.156 ( 0.000 5.521 0.315) 5.530 11.180 ( 0.000 10.197 7.272) 12.524 11.227 ( 0.000 0.333 1.067) 1.117 11.258 ( 0.000 -3.003 5.280) 6.074 11.289 ( 0.000 -3.963 9.479) 10.274 11.354 ( 0.000 -7.124 9.330) 11.739 11.591 ( 0.000 10.132 4.712) 11.174 11.717 ( 0.000 -0.540 2.974) 3.023 11.899 ( 0.000 -1.156 3.834) 4.005 11.964 ( 0.000 -4.936 4.014) 6.362 12.201 ( 0.000 8.247 7.920) 11.435 12.255 ( 0.000 4.427 8.120) 9.248 12.336 ( 0.000 -4.619 4.506) 6.453 12.345 ( 0.000 -3.827 4.808) 6.145 13.039 ( 0.000 1.358 -6.690) 6.827 13.051 ( 0.000 0.466 -9.438) 9.450 13.062 ( 0.000 -1.226 -9.200) 9.282 13.073 ( 0.000 -1.082 -7.241) 7.322 13.844 ( 0.000 14.697 -2.324) 14.879 13.872 ( 0.000 13.397 1.065) 13.439 14.061 ( 0.000 -6.084 -6.455) 8.870 14.080 ( 0.000 -6.374 -1.935) 6.661 14.480 ( 0.000 5.078 2.145) 5.512 14.667 ( 0.000 -12.414 -8.471) 15.029 14.744 ( 0.000 -6.595 -3.104) 7.288 14.780 ( 0.000 -8.066 -10.786) 13.469 15.228 ( 0.000 6.411 5.543) 8.475 15.378 ( 0.000 -8.865 2.965) 9.348 15.471 ( 0.000 -1.780 -1.308) 2.209 15.479 ( 0.000 -2.582 -4.474) 5.166 15.923 ( 0.000 8.823 -8.822) 12.476 15.926 ( 0.000 7.214 -9.949) 12.290 16.094 ( 0.000 -8.998 -8.804) 12.589 16.109 ( 0.000 -9.532 -8.225) 12.590 16.865 ( 0.000 4.077 -10.814) 11.557 16.895 ( 0.000 2.597 -11.010) 11.312 16.919 ( 0.000 -0.350 -11.651) 11.656 16.924 ( 0.000 0.448 -10.568) 10.578 19.417 ( 0.000 2.998 4.012) 5.008 19.453 ( 0.000 -0.082 3.466) 3.467 19.470 ( 0.000 -2.015 4.973) 5.366 19.494 ( 0.000 -4.782 4.142) 6.326 20.063 ( 0.000 0.908 -4.844) 4.928 20.076 ( 0.000 -0.666 -5.857) 5.894 20.082 ( 0.000 1.581 -5.480) 5.703 20.096 ( 0.000 -0.048 -6.347) 6.347 20.585 ( 0.000 2.653 5.902) 6.471 20.646 ( 0.000 0.154 5.679) 5.681 20.698 ( 0.000 -8.408 4.731) 9.648 20.724 ( 0.000 -6.782 4.701) 8.252 21.462 ( 0.000 3.955 -2.813) 4.854 21.489 ( 0.000 3.070 -3.287) 4.498 21.527 ( 0.000 -2.827 -3.103) 4.198 21.535 ( 0.000 -1.739 -3.248) 3.685 ======================= Grid point 52 (24/40) ======================= q-point: ( 0.33 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 3.065 11.337 12.102) 16.864 1.531 ( -1.274 11.546 12.572) 17.117 1.660 ( 3.685 -4.339 8.988) 10.639 1.751 ( -3.996 -5.570 8.151) 10.651 1.877 ( 7.493 8.162 11.354) 15.865 2.061 ( -10.849 4.378 7.565) 13.932 2.134 ( 2.028 -14.057 4.587) 14.925 2.225 ( -6.400 -9.942 2.678) 12.124 2.586 ( 7.750 6.758 7.910) 12.973 2.666 ( 2.062 2.118 4.752) 5.596 2.691 ( 1.684 -0.020 1.974) 2.595 2.730 ( 0.148 0.053 0.880) 0.894 2.865 ( 0.903 0.172 8.926) 8.974 2.873 ( 1.414 0.342 3.369) 3.670 2.939 ( -5.111 -0.246 8.161) 9.632 2.968 ( -6.238 -2.160 1.635) 6.800 3.069 ( 7.251 -0.660 -1.163) 7.373 3.100 ( 5.669 -1.973 -2.173) 6.384 3.240 ( -4.349 -2.439 -1.729) 5.277 3.268 ( -6.283 -4.383 -0.304) 7.666 3.442 ( 4.794 7.699 5.272) 10.490 3.469 ( 2.263 2.996 3.947) 5.448 3.522 ( -1.128 1.307 5.376) 5.647 3.553 ( -2.835 0.540 4.438) 5.294 3.689 ( 3.127 4.956 0.227) 5.864 3.710 ( 3.718 3.107 2.347) 5.384 3.748 ( -1.701 7.464 -3.010) 8.226 3.781 ( -1.488 5.137 -0.768) 5.403 3.850 ( 3.725 7.399 -3.208) 8.883 3.912 ( 0.018 2.626 -4.969) 5.620 3.959 ( -4.466 5.581 -0.068) 7.148 3.978 ( -6.012 3.715 -0.526) 7.087 4.185 ( 0.633 5.115 -3.786) 6.395 4.193 ( -2.146 3.386 -4.144) 5.766 4.252 ( -1.968 2.415 -5.352) 6.193 4.280 ( -3.184 0.957 -7.147) 7.882 4.505 ( 2.913 4.622 5.299) 7.612 4.546 ( -0.744 1.798 3.517) 4.020 4.641 ( 3.861 -6.001 6.020) 9.335 4.697 ( -2.027 -12.703 8.711) 15.536 4.815 ( 2.853 1.862 2.188) 4.049 4.850 ( -0.529 3.351 2.111) 3.995 4.925 ( 2.147 -5.306 3.161) 6.538 4.942 ( 0.682 -9.444 3.305) 10.029 5.103 ( 6.892 7.236 4.306) 10.881 5.230 ( -3.724 2.216 8.027) 9.122 5.249 ( 0.951 -4.006 0.326) 4.130 5.316 ( -3.253 -4.326 5.248) 7.539 5.456 ( 1.727 3.765 4.273) 5.951 5.506 ( -0.633 4.262 3.338) 5.451 5.577 ( 1.463 -5.679 -1.754) 6.121 5.652 ( -3.993 -6.436 -2.938) 8.124 5.722 ( 1.400 4.236 1.356) 4.663 5.771 ( -3.265 4.015 -0.901) 5.253 5.853 ( 1.952 -8.607 -2.096) 9.071 5.895 ( -2.029 -7.773 -0.128) 8.034 6.071 ( 0.846 3.924 2.715) 4.846 6.082 ( -0.318 2.379 3.594) 4.322 6.138 ( 2.137 -3.115 -0.383) 3.797 6.181 ( -2.088 -6.365 -1.768) 6.928 6.467 ( 0.424 6.404 2.183) 6.780 6.479 ( -0.751 6.477 0.043) 6.521 6.571 ( 2.546 -3.848 4.517) 6.457 6.605 ( -1.054 -5.965 3.206) 6.854 6.830 ( 4.077 -0.507 4.418) 6.033 6.857 ( 3.897 -2.530 3.527) 5.833 6.935 ( -3.831 -1.170 0.670) 4.061 6.954 ( -3.465 -2.715 1.589) 4.680 7.715 ( 2.518 5.010 -2.953) 6.337 7.767 ( -2.523 6.081 -2.726) 7.126 7.806 ( 2.912 -4.372 -2.807) 5.956 7.870 ( -3.274 -4.289 -3.061) 6.204 8.790 ( 2.064 6.516 -2.513) 7.283 8.819 ( -0.218 6.114 -1.749) 6.363 8.924 ( 0.454 -5.024 0.336) 5.056 8.953 ( -1.827 -5.573 1.899) 6.165 9.292 ( 2.468 2.739 1.092) 3.845 9.326 ( 0.525 -0.192 1.622) 1.716 9.393 ( -3.617 -0.625 1.026) 3.811 9.411 ( -3.939 -2.221 1.297) 4.705 9.535 ( 2.059 2.812 2.971) 4.580 9.592 ( 2.098 -0.183 5.279) 5.684 9.620 ( -1.930 -0.330 4.014) 4.466 9.660 ( -0.352 -1.778 4.544) 4.892 9.854 ( 1.612 3.611 8.899) 9.738 9.882 ( -2.482 3.534 4.934) 6.557 9.918 ( 3.548 -2.425 8.997) 9.970 9.968 ( -1.527 -3.806 8.681) 9.601 10.166 ( 2.237 0.077 16.070) 16.226 10.183 ( 2.704 -1.705 15.985) 16.301 10.212 ( -0.367 0.735 14.512) 14.535 10.237 ( -1.160 -1.442 11.315) 11.465 10.315 ( 2.928 4.622 6.135) 8.220 10.382 ( 0.505 -0.427 7.169) 7.199 10.456 ( -5.802 0.624 6.648) 8.846 10.504 ( -7.537 -2.435 9.740) 12.554 10.670 ( 4.367 4.839 11.905) 13.573 10.714 ( 1.955 1.821 14.588) 14.830 10.783 ( -0.715 -1.344 10.440) 10.550 10.801 ( -0.258 -1.756 14.477) 14.585 10.943 ( 4.942 5.234 -0.295) 7.205 10.964 ( 4.054 3.021 1.163) 5.188 11.107 ( -4.224 2.030 0.159) 4.689 11.119 ( -5.864 1.456 0.613) 6.073 11.209 ( 0.622 4.479 6.153) 7.636 11.230 ( -1.135 2.660 6.187) 6.829 11.326 ( 1.387 -5.314 8.794) 10.368 11.345 ( -0.807 -6.349 9.743) 11.657 11.667 ( 6.525 8.606 3.931) 11.494 11.749 ( 0.817 4.799 4.036) 6.324 11.858 ( -1.382 -4.251 2.520) 5.131 11.921 ( -4.712 -6.032 2.675) 8.108 12.222 ( 1.917 6.991 8.346) 11.054 12.250 ( -0.782 5.628 7.906) 9.736 12.340 ( 0.797 -4.391 5.213) 6.862 12.353 ( -0.056 -4.245 4.815) 6.419 13.043 ( 0.314 1.048 -7.454) 7.534 13.048 ( -0.244 0.706 -8.846) 8.877 13.066 ( 0.373 -1.215 -8.565) 8.659 13.072 ( -0.203 -1.207 -7.565) 7.663 13.850 ( 0.667 14.519 -1.576) 14.620 13.865 ( -0.734 13.878 0.132) 13.898 14.066 ( 0.478 -6.155 -5.447) 8.233 14.076 ( -0.438 -6.302 -3.304) 7.129 14.530 ( 5.171 3.099 2.016) 6.357 14.655 ( -7.180 -1.891 -0.324) 7.432 14.691 ( 2.179 -11.893 -8.361) 14.700 14.746 ( -3.066 -9.650 -9.624) 13.969 15.308 ( 6.616 2.991 1.726) 7.463 15.407 ( 1.160 -4.965 -0.183) 5.102 15.425 ( -2.893 -2.481 -0.420) 3.834 15.464 ( -2.070 -4.370 -1.995) 5.231 15.924 ( 0.128 8.499 -9.130) 12.474 15.926 ( -0.067 7.793 -9.563) 12.336 16.097 ( 0.258 -9.242 -8.669) 12.674 16.104 ( -0.449 -9.499 -8.372) 12.669 16.873 ( 0.761 3.918 -10.801) 11.514 16.888 ( -0.704 3.373 -10.848) 11.382 16.919 ( 0.169 -0.490 -11.401) 11.413 16.923 ( -0.181 -0.036 -10.998) 10.999 19.424 ( 0.714 2.425 3.988) 4.721 19.441 ( -0.960 1.033 3.882) 4.131 19.480 ( 0.667 -3.054 4.485) 5.467 19.490 ( -0.401 -4.289 4.237) 6.042 20.066 ( 0.338 1.202 -4.955) 5.110 20.075 ( -0.540 1.540 -5.255) 5.503 20.083 ( 0.546 -0.676 -6.013) 6.075 20.093 ( -0.372 -0.377 -6.279) 6.301 20.601 ( 1.544 2.351 5.924) 6.558 20.632 ( -1.463 1.287 5.830) 6.147 20.704 ( 0.592 -8.418 4.646) 9.634 20.717 ( -0.674 -7.442 4.622) 8.786 21.468 ( 0.604 3.807 -2.919) 4.835 21.482 ( -0.712 3.381 -3.152) 4.677 21.529 ( 0.217 -2.621 -3.144) 4.099 21.533 ( -0.159 -2.088 -3.219) 3.840 ======================= Grid point 63 (25/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 0.000 24.384) 24.384 1.579 ( 0.000 0.000 23.713) 23.713 1.622 ( 0.000 0.000 18.811) 18.811 1.827 ( 0.000 0.000 8.260) 8.260 2.000 ( 0.000 0.000 -0.391) 0.391 2.065 ( 0.000 0.000 10.534) 10.534 2.184 ( 0.000 0.000 9.295) 9.295 2.474 ( 0.000 0.000 -1.169) 1.169 2.546 ( 0.000 0.000 -4.914) 4.914 2.644 ( 0.000 0.000 16.130) 16.130 2.675 ( 0.000 0.000 3.718) 3.718 2.718 ( 0.000 0.000 -1.953) 1.953 2.718 ( 0.000 0.000 -11.009) 11.009 2.843 ( 0.000 0.000 -4.701) 4.701 2.906 ( 0.000 0.000 -9.037) 9.037 2.973 ( 0.000 0.000 -9.126) 9.126 3.048 ( 0.000 0.000 -6.744) 6.744 3.082 ( 0.000 0.000 -1.788) 1.788 3.094 ( 0.000 0.000 -7.940) 7.940 3.134 ( 0.000 0.000 15.420) 15.420 3.264 ( 0.000 0.000 9.174) 9.174 3.276 ( 0.000 0.000 -3.731) 3.731 3.279 ( 0.000 0.000 -4.122) 4.122 3.293 ( 0.000 0.000 -10.428) 10.428 3.417 ( 0.000 0.000 7.130) 7.130 3.482 ( 0.000 0.000 2.425) 2.425 3.667 ( 0.000 0.000 -4.397) 4.397 3.682 ( 0.000 0.000 -5.486) 5.486 3.706 ( 0.000 0.000 9.254) 9.254 3.731 ( 0.000 0.000 -3.406) 3.406 3.818 ( 0.000 0.000 -6.863) 6.863 3.866 ( 0.000 0.000 -0.629) 0.629 3.891 ( 0.000 0.000 5.094) 5.094 3.985 ( 0.000 0.000 4.586) 4.586 4.079 ( 0.000 0.000 -0.439) 0.439 4.229 ( 0.000 0.000 -7.474) 7.474 4.417 ( 0.000 0.000 -9.090) 9.090 4.441 ( 0.000 0.000 7.811) 7.811 4.476 ( 0.000 0.000 9.757) 9.757 4.659 ( 0.000 0.000 -7.141) 7.141 5.008 ( 0.000 0.000 4.114) 4.114 5.193 ( 0.000 0.000 0.689) 0.689 5.193 ( 0.000 0.000 1.379) 1.379 5.201 ( 0.000 0.000 10.316) 10.316 5.275 ( 0.000 0.000 9.687) 9.687 5.292 ( 0.000 0.000 0.802) 0.802 5.295 ( 0.000 0.000 10.515) 10.515 5.367 ( 0.000 0.000 7.127) 7.127 5.722 ( 0.000 0.000 -6.288) 6.288 5.725 ( 0.000 0.000 0.576) 0.576 5.739 ( 0.000 0.000 9.186) 9.186 5.747 ( 0.000 0.000 -6.342) 6.342 5.839 ( 0.000 0.000 13.665) 13.665 5.886 ( 0.000 0.000 -0.065) 0.065 5.912 ( 0.000 0.000 0.628) 0.628 6.055 ( 0.000 0.000 -9.891) 9.891 6.190 ( 0.000 0.000 -5.938) 5.938 6.191 ( 0.000 0.000 13.420) 13.420 6.271 ( 0.000 0.000 1.665) 1.665 6.452 ( 0.000 0.000 4.740) 4.740 6.465 ( 0.000 0.000 7.271) 7.271 6.476 ( 0.000 0.000 7.783) 7.783 6.544 ( 0.000 0.000 -6.104) 6.104 6.694 ( 0.000 0.000 -8.959) 8.959 6.931 ( 0.000 0.000 1.933) 1.933 7.121 ( 0.000 0.000 4.711) 4.711 7.219 ( 0.000 0.000 -5.627) 5.627 7.254 ( 0.000 0.000 5.098) 5.098 7.290 ( 0.000 0.000 4.847) 4.847 7.397 ( 0.000 0.000 -6.638) 6.638 7.733 ( 0.000 0.000 -7.130) 7.130 7.824 ( 0.000 0.000 -9.683) 9.683 8.368 ( 0.000 0.000 -6.584) 6.584 8.389 ( 0.000 0.000 -7.598) 7.598 9.038 ( 0.000 0.000 -0.452) 0.452 9.065 ( 0.000 0.000 -2.740) 2.740 9.335 ( 0.000 0.000 0.276) 0.276 9.378 ( 0.000 0.000 7.982) 7.982 9.478 ( 0.000 0.000 -0.071) 0.071 9.537 ( 0.000 0.000 -4.251) 4.251 9.583 ( 0.000 0.000 4.354) 4.354 9.616 ( 0.000 0.000 -1.797) 1.797 9.691 ( 0.000 0.000 3.831) 3.831 9.704 ( 0.000 0.000 -0.883) 0.883 9.708 ( 0.000 0.000 1.302) 1.302 9.727 ( 0.000 0.000 -1.454) 1.454 9.827 ( 0.000 0.000 -3.707) 3.707 9.901 ( 0.000 0.000 -6.514) 6.514 10.178 ( 0.000 0.000 10.410) 10.410 10.301 ( 0.000 0.000 8.594) 8.594 10.345 ( 0.000 0.000 5.645) 5.645 10.376 ( 0.000 0.000 9.007) 9.007 10.451 ( 0.000 0.000 15.609) 15.609 10.598 ( 0.000 0.000 5.196) 5.196 10.637 ( 0.000 0.000 3.815) 3.815 10.652 ( 0.000 0.000 15.703) 15.703 10.790 ( 0.000 0.000 15.136) 15.136 10.840 ( 0.000 0.000 6.331) 6.331 10.929 ( 0.000 0.000 10.425) 10.425 10.951 ( 0.000 0.000 24.942) 24.942 10.988 ( 0.000 0.000 7.224) 7.224 11.057 ( 0.000 0.000 7.769) 7.769 11.075 ( 0.000 0.000 7.513) 7.513 11.123 ( 0.000 0.000 5.552) 5.552 11.252 ( 0.000 0.000 -4.902) 4.902 11.323 ( 0.000 0.000 9.060) 9.060 11.368 ( 0.000 0.000 6.963) 6.963 11.431 ( 0.000 0.000 9.136) 9.136 11.666 ( 0.000 0.000 -6.989) 6.989 11.861 ( 0.000 0.000 11.245) 11.245 11.972 ( 0.000 0.000 13.449) 13.449 12.021 ( 0.000 0.000 12.367) 12.367 12.063 ( 0.000 0.000 -2.736) 2.736 12.076 ( 0.000 0.000 11.486) 11.486 12.672 ( 0.000 0.000 1.379) 1.379 12.740 ( 0.000 0.000 9.176) 9.176 12.819 ( 0.000 0.000 -7.690) 7.690 12.826 ( 0.000 0.000 -6.956) 6.956 12.961 ( 0.000 0.000 -10.916) 10.916 12.999 ( 0.000 0.000 -3.071) 3.071 13.224 ( 0.000 0.000 -4.085) 4.085 13.233 ( 0.000 0.000 -4.256) 4.256 13.736 ( 0.000 0.000 -17.184) 17.184 13.744 ( 0.000 0.000 -16.133) 16.133 15.056 ( 0.000 0.000 -8.780) 8.780 15.077 ( 0.000 0.000 -9.425) 9.425 15.079 ( 0.000 0.000 10.797) 10.797 15.276 ( 0.000 0.000 -7.762) 7.762 15.313 ( 0.000 0.000 10.494) 10.494 15.479 ( 0.000 0.000 11.557) 11.557 15.643 ( 0.000 0.000 -1.819) 1.819 15.708 ( 0.000 0.000 -3.929) 3.929 15.736 ( 0.000 0.000 -4.783) 4.783 15.963 ( 0.000 0.000 2.722) 2.722 16.021 ( 0.000 0.000 -8.064) 8.064 16.132 ( 0.000 0.000 -6.528) 6.528 16.615 ( 0.000 0.000 -13.787) 13.787 16.635 ( 0.000 0.000 -8.660) 8.660 16.651 ( 0.000 0.000 -11.544) 11.544 16.685 ( 0.000 0.000 -10.915) 10.915 19.452 ( 0.000 0.000 6.136) 6.136 19.551 ( 0.000 0.000 4.290) 4.290 19.751 ( 0.000 0.000 2.456) 2.456 19.758 ( 0.000 0.000 2.442) 2.442 19.930 ( 0.000 0.000 -3.257) 3.257 19.934 ( 0.000 0.000 -5.818) 5.818 19.941 ( 0.000 0.000 -3.368) 3.368 19.973 ( 0.000 0.000 -9.671) 9.671 20.674 ( 0.000 0.000 10.428) 10.428 20.893 ( 0.000 0.000 4.655) 4.655 21.101 ( 0.000 0.000 -0.947) 0.947 21.133 ( 0.000 0.000 -2.480) 2.480 21.350 ( 0.000 0.000 2.491) 2.491 21.437 ( 0.000 0.000 2.622) 2.622 21.528 ( 0.000 0.000 -2.697) 2.697 21.631 ( 0.000 0.000 -3.805) 3.805 ======================= Grid point 64 (26/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 6.238 0.000 21.942) 22.811 1.572 ( 1.331 0.000 21.564) 21.605 1.619 ( -2.128 0.000 20.567) 20.677 1.709 ( -9.411 0.000 15.406) 18.053 2.003 ( 0.614 0.000 1.181) 1.331 2.025 ( -1.772 0.000 4.643) 4.970 2.355 ( 12.194 0.000 7.092) 14.107 2.534 ( -4.323 0.000 -0.890) 4.414 2.573 ( 9.597 0.000 0.229) 9.600 2.647 ( -2.056 0.000 -4.728) 5.156 2.662 ( 0.908 0.000 17.700) 17.723 2.686 ( -3.583 0.000 -9.396) 10.056 2.688 ( 1.232 0.000 2.306) 2.614 2.799 ( -9.309 0.000 -11.765) 15.002 2.889 ( 3.465 0.000 -5.941) 6.877 2.948 ( -2.556 0.000 -7.903) 8.306 3.046 ( 0.571 0.000 -0.455) 0.730 3.076 ( -0.836 0.000 -4.926) 4.996 3.121 ( 3.005 0.000 -8.314) 8.840 3.196 ( -4.689 0.000 -7.632) 8.957 3.230 ( 7.547 0.000 12.394) 14.511 3.312 ( 4.011 0.000 12.111) 12.758 3.315 ( 2.939 0.000 -4.202) 5.128 3.342 ( 0.843 0.000 -6.864) 6.916 3.389 ( -6.999 0.000 12.818) 14.604 3.412 ( -5.237 0.000 8.165) 9.700 3.592 ( 1.679 0.000 -0.235) 1.696 3.657 ( -2.119 0.000 -5.566) 5.955 3.706 ( -0.890 0.000 -1.369) 1.633 3.743 ( 1.596 0.000 -4.305) 4.591 3.770 ( -7.035 0.000 -4.425) 8.311 3.789 ( -2.700 0.000 -6.145) 6.712 3.945 ( 4.394 0.000 -0.045) 4.395 4.030 ( -3.745 0.000 -1.163) 3.922 4.102 ( 7.657 0.000 2.278) 7.989 4.210 ( -3.044 0.000 -2.523) 3.954 4.450 ( 0.880 0.000 8.229) 8.276 4.468 ( -0.843 0.000 9.188) 9.226 4.504 ( 7.018 0.000 -8.910) 11.342 4.616 ( -4.409 0.000 -8.616) 9.679 5.048 ( 4.192 0.000 3.862) 5.700 5.142 ( -4.889 0.000 2.618) 5.545 5.197 ( 0.557 0.000 3.775) 3.816 5.205 ( 0.019 0.000 6.713) 6.713 5.272 ( 0.058 0.000 7.453) 7.453 5.283 ( -0.829 0.000 3.645) 3.738 5.311 ( 1.590 0.000 9.766) 9.894 5.346 ( -1.902 0.000 8.609) 8.816 5.719 ( 1.027 0.000 -4.828) 4.936 5.741 ( -0.839 0.000 -5.671) 5.733 5.756 ( 1.683 0.000 9.956) 10.098 5.796 ( -2.531 0.000 10.872) 11.163 5.813 ( 6.650 0.000 -2.268) 7.026 5.905 ( -1.852 0.000 -2.085) 2.788 5.971 ( 6.764 0.000 0.340) 6.772 6.044 ( 0.324 0.000 -4.090) 4.102 6.108 ( -7.197 0.000 -3.604) 8.049 6.110 ( -5.797 0.000 7.331) 9.346 6.324 ( 3.898 0.000 5.511) 6.750 6.404 ( -4.392 0.000 7.322) 8.538 6.473 ( 1.499 0.000 5.799) 5.989 6.489 ( -0.025 0.000 5.633) 5.633 6.598 ( 4.373 0.000 -7.363) 8.564 6.668 ( -2.717 0.000 -8.584) 9.004 6.975 ( 4.175 0.000 3.041) 5.165 7.063 ( -4.664 0.000 3.812) 6.024 7.263 ( 0.863 0.000 5.049) 5.122 7.281 ( -0.862 0.000 4.924) 4.999 7.285 ( 5.096 0.000 -5.571) 7.550 7.367 ( -3.205 0.000 -6.382) 7.141 7.754 ( 2.073 0.000 -7.622) 7.899 7.799 ( -2.318 0.000 -8.875) 9.172 8.374 ( 0.567 0.000 -7.004) 7.027 8.385 ( -0.451 0.000 -7.485) 7.498 9.084 ( 4.996 0.000 0.455) 5.017 9.128 ( 4.436 0.000 -1.471) 4.673 9.312 ( -6.225 0.000 2.587) 6.741 9.376 ( 4.115 0.000 -0.375) 4.132 9.384 ( -9.956 0.000 -0.433) 9.965 9.471 ( -5.456 0.000 -2.193) 5.880 9.508 ( 5.284 0.000 4.275) 6.797 9.635 ( -6.501 0.000 1.743) 6.731 9.713 ( 1.954 0.000 3.703) 4.187 9.726 ( 1.792 0.000 3.391) 3.836 9.730 ( 0.869 0.000 -0.299) 0.919 9.733 ( 0.467 0.000 -1.185) 1.274 9.844 ( 1.982 0.000 -4.456) 4.877 9.885 ( -1.776 0.000 -5.850) 6.114 10.266 ( 7.314 0.000 8.549) 11.251 10.311 ( 1.039 0.000 7.985) 8.052 10.333 ( -1.106 0.000 6.516) 6.609 10.354 ( -1.928 0.000 11.458) 11.619 10.525 ( 6.300 0.000 5.858) 8.602 10.607 ( 0.917 0.000 4.831) 4.917 10.627 ( -0.975 0.000 4.109) 4.223 10.673 ( -3.279 0.000 11.033) 11.510 10.721 ( -1.579 0.000 11.606) 11.713 10.799 ( -4.508 0.000 17.872) 18.432 10.942 ( 0.344 0.000 18.923) 18.927 10.951 ( 1.998 0.000 9.505) 9.713 10.975 ( -3.420 0.000 15.449) 15.823 10.982 ( -0.923 0.000 7.809) 7.863 11.074 ( 0.201 0.000 7.254) 7.256 11.096 ( -2.035 0.000 6.529) 6.839 11.341 ( 1.404 0.000 8.209) 8.328 11.362 ( -0.715 0.000 7.301) 7.335 11.369 ( 6.797 0.000 -1.147) 6.893 11.441 ( -0.691 0.000 5.739) 5.781 11.715 ( 5.923 0.000 -5.715) 8.230 11.838 ( -4.360 0.000 2.836) 5.201 11.985 ( 1.249 0.000 13.158) 13.217 12.009 ( -1.132 0.000 12.617) 12.667 12.021 ( -0.992 0.000 5.928) 6.010 12.053 ( -2.705 0.000 10.137) 10.492 12.703 ( 2.754 0.000 2.137) 3.486 12.742 ( -0.677 0.000 5.662) 5.702 12.820 ( 0.141 0.000 -7.504) 7.505 12.824 ( -0.210 0.000 -7.139) 7.142 12.960 ( 0.566 0.000 -7.846) 7.866 12.985 ( -1.454 0.000 -4.017) 4.272 13.226 ( 0.222 0.000 -4.132) 4.138 13.231 ( -0.195 0.000 -4.217) 4.222 13.736 ( 0.054 0.000 -16.882) 16.882 13.740 ( -0.323 0.000 -16.364) 16.367 15.061 ( 0.487 0.000 -8.930) 8.943 15.071 ( -0.521 0.000 -9.251) 9.266 15.124 ( 4.331 0.000 7.836) 8.953 15.215 ( -4.787 0.000 1.159) 4.925 15.355 ( 2.978 0.000 5.468) 6.226 15.420 ( -4.124 0.000 7.751) 8.779 15.715 ( 0.701 0.000 -4.156) 4.215 15.729 ( -0.658 0.000 -4.582) 4.629 15.734 ( 7.377 0.000 0.959) 7.439 15.873 ( -6.977 0.000 1.238) 7.086 16.072 ( 2.996 0.000 -6.228) 6.912 16.116 ( -1.690 0.000 -6.460) 6.678 16.624 ( 0.828 0.000 -13.011) 13.037 16.639 ( -0.405 0.000 -10.860) 10.868 16.649 ( 0.660 0.000 -10.495) 10.516 16.671 ( -1.268 0.000 -10.582) 10.658 19.477 ( 2.384 0.000 5.647) 6.129 19.526 ( -2.409 0.000 4.743) 5.320 19.753 ( 0.187 0.000 2.452) 2.459 19.757 ( -0.188 0.000 2.445) 2.452 19.933 ( 0.264 0.000 -3.285) 3.295 19.938 ( -0.263 0.000 -3.341) 3.351 19.947 ( 1.140 0.000 -7.053) 7.144 19.966 ( -0.785 0.000 -8.956) 8.990 20.720 ( 4.749 0.000 9.874) 10.957 20.829 ( -5.915 0.000 7.104) 9.244 21.111 ( 1.010 0.000 -1.593) 1.886 21.129 ( -0.638 0.000 -2.459) 2.540 21.360 ( 1.098 0.000 2.752) 2.963 21.395 ( -2.665 0.000 2.861) 3.910 21.573 ( 3.052 0.000 -3.238) 4.450 21.617 ( -1.541 0.000 -3.747) 4.051 ======================= Grid point 66 (27/40) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.000 2.600 21.420) 21.578 1.604 ( 0.000 2.649 21.410) 21.573 1.668 ( 0.000 7.944 19.346) 20.914 1.849 ( 0.000 1.436 9.089) 9.202 2.016 ( 0.000 1.471 0.404) 1.525 2.158 ( 0.000 6.622 7.285) 9.845 2.263 ( 0.000 7.116 8.178) 10.841 2.473 ( 0.000 1.310 0.786) 1.527 2.564 ( 0.000 -5.170 0.240) 5.176 2.587 ( 0.000 0.031 -0.618) 0.619 2.657 ( 0.000 0.157 3.024) 3.028 2.832 ( 0.000 6.974 -3.694) 7.892 2.858 ( 0.000 7.965 -2.175) 8.257 2.887 ( 0.000 6.104 -6.194) 8.696 2.947 ( 0.000 -2.412 -6.373) 6.814 2.956 ( 0.000 2.984 -1.895) 3.535 3.029 ( 0.000 1.480 -1.481) 2.094 3.044 ( 0.000 0.277 0.447) 0.526 3.096 ( 0.000 2.119 -8.865) 9.115 3.132 ( 0.000 -3.883 1.208) 4.066 3.236 ( 0.000 3.293 7.907) 8.565 3.249 ( 0.000 0.198 -10.583) 10.584 3.311 ( 0.000 3.587 -1.201) 3.783 3.323 ( 0.000 4.323 6.797) 8.055 3.533 ( 0.000 7.621 6.419) 9.964 3.567 ( 0.000 3.719 2.529) 4.497 3.592 ( 0.000 1.495 -6.051) 6.233 3.680 ( 0.000 -0.548 10.266) 10.281 3.749 ( 0.000 -1.522 2.779) 3.169 3.836 ( 0.000 7.615 -9.896) 12.487 3.841 ( 0.000 4.629 -3.278) 5.672 3.905 ( 0.000 3.326 -0.476) 3.360 3.921 ( 0.000 2.613 -0.236) 2.624 3.960 ( 0.000 -2.201 4.565) 5.068 4.077 ( 0.000 0.285 1.470) 1.498 4.158 ( 0.000 -4.619 -6.441) 7.926 4.384 ( 0.000 -0.780 -6.726) 6.771 4.549 ( 0.000 5.100 7.591) 9.145 4.576 ( 0.000 10.839 5.348) 12.086 4.648 ( 0.000 -0.980 -6.772) 6.843 4.972 ( 0.000 -2.962 5.844) 6.551 5.065 ( 0.000 -5.367 1.106) 5.480 5.138 ( 0.000 -4.144 12.438) 13.110 5.252 ( 0.000 -2.380 -0.633) 2.462 5.256 ( 0.000 -2.215 6.562) 6.926 5.307 ( 0.000 -0.780 8.121) 8.158 5.334 ( 0.000 5.216 5.087) 7.286 5.408 ( 0.000 3.396 1.690) 3.794 5.659 ( 0.000 -4.112 1.541) 4.391 5.715 ( 0.000 -2.254 -0.450) 2.299 5.724 ( 0.000 -2.697 -5.549) 6.169 5.733 ( 0.000 -5.600 8.834) 10.460 5.761 ( 0.000 -1.734 2.165) 2.773 5.856 ( 0.000 -1.956 1.009) 2.201 6.014 ( 0.000 -0.370 -7.971) 7.979 6.047 ( 0.000 4.653 5.186) 6.968 6.160 ( 0.000 0.703 3.305) 3.379 6.203 ( 0.000 -0.328 2.460) 2.481 6.236 ( 0.000 -4.090 1.850) 4.489 6.347 ( 0.000 -7.320 0.888) 7.374 6.388 ( 0.000 -6.273 4.731) 7.858 6.455 ( 0.000 -1.764 7.785) 7.982 6.593 ( 0.000 1.868 -2.026) 2.756 6.699 ( 0.000 0.166 -4.566) 4.569 6.943 ( 0.000 0.857 -0.085) 0.861 7.089 ( 0.000 -2.919 5.337) 6.083 7.109 ( 0.000 -6.588 0.463) 6.604 7.203 ( 0.000 -4.764 3.831) 6.113 7.402 ( 0.000 6.784 -1.523) 6.953 7.453 ( 0.000 5.601 -4.108) 6.946 7.760 ( 0.000 1.711 -7.896) 8.080 7.831 ( 0.000 0.360 -8.849) 8.856 8.444 ( 0.000 5.351 -5.802) 7.893 8.444 ( 0.000 7.162 -5.850) 9.247 9.060 ( 0.000 -0.904 -2.969) 3.103 9.064 ( 0.000 1.989 -1.394) 2.429 9.275 ( 0.000 -3.060 5.261) 6.087 9.433 ( 0.000 3.218 2.793) 4.261 9.438 ( 0.000 -3.018 0.381) 3.042 9.523 ( 0.000 -1.642 -3.464) 3.834 9.556 ( 0.000 -1.154 2.683) 2.921 9.567 ( 0.000 -3.683 -1.425) 3.949 9.668 ( 0.000 0.040 2.308) 2.309 9.735 ( 0.000 2.042 -1.763) 2.698 9.785 ( 0.000 5.180 2.885) 5.929 9.819 ( 0.000 5.892 2.604) 6.442 9.907 ( 0.000 1.854 -4.334) 4.714 9.949 ( 0.000 10.797 -2.818) 11.159 10.221 ( 0.000 5.064 6.218) 8.019 10.297 ( 0.000 -0.724 9.120) 9.148 10.361 ( 0.000 1.956 6.248) 6.547 10.435 ( 0.000 4.947 7.623) 9.087 10.497 ( 0.000 3.726 15.727) 16.163 10.619 ( 0.000 -1.063 5.997) 6.090 10.630 ( 0.000 -2.347 14.383) 14.573 10.641 ( 0.000 4.295 5.944) 7.333 10.803 ( 0.000 -0.424 13.982) 13.989 10.848 ( 0.000 -3.030 10.557) 10.983 10.879 ( 0.000 -0.181 10.686) 10.688 10.902 ( 0.000 -0.721 10.247) 10.272 11.020 ( 0.000 1.012 12.707) 12.747 11.042 ( 0.000 -0.454 5.234) 5.253 11.094 ( 0.000 -1.880 4.465) 4.844 11.119 ( 0.000 2.319 10.919) 11.163 11.224 ( 0.000 -0.258 2.393) 2.407 11.373 ( 0.000 5.511 7.661) 9.437 11.389 ( 0.000 0.140 1.080) 1.089 11.529 ( 0.000 7.450 10.308) 12.719 11.668 ( 0.000 0.344 -5.531) 5.541 11.762 ( 0.000 -6.880 13.379) 15.044 11.987 ( 0.000 -1.246 9.467) 9.549 12.020 ( 0.000 3.913 2.519) 4.653 12.164 ( 0.000 6.788 13.339) 14.967 12.182 ( 0.000 9.120 7.971) 12.112 12.554 ( 0.000 -7.508 -1.845) 7.731 12.605 ( 0.000 -7.889 2.349) 8.231 12.880 ( 0.000 1.232 0.010) 1.232 12.933 ( 0.000 4.858 -0.887) 4.939 13.023 ( 0.000 3.026 -3.801) 4.859 13.026 ( 0.000 2.570 -7.346) 7.782 13.218 ( 0.000 1.619 -8.013) 8.175 13.248 ( 0.000 4.811 -8.884) 10.103 13.754 ( 0.000 1.781 -16.416) 16.512 13.765 ( 0.000 2.174 -15.785) 15.934 14.948 ( 0.000 -8.782 -0.552) 8.799 14.962 ( 0.000 -8.676 -6.746) 10.990 15.083 ( 0.000 -4.588 4.331) 6.309 15.255 ( 0.000 -5.086 -9.966) 11.189 15.322 ( 0.000 0.928 10.467) 10.508 15.462 ( 0.000 -1.169 6.291) 6.398 15.538 ( 0.000 -4.457 0.630) 4.502 15.686 ( 0.000 -3.234 -2.584) 4.139 15.723 ( 0.000 -1.854 -3.625) 4.072 15.905 ( 0.000 -6.910 6.625) 9.573 16.081 ( 0.000 3.741 -7.934) 8.772 16.167 ( 0.000 2.490 -5.932) 6.433 16.583 ( 0.000 -3.659 -14.533) 14.986 16.592 ( 0.000 -3.565 -10.237) 10.840 16.641 ( 0.000 -1.932 -13.030) 13.172 16.653 ( 0.000 0.388 -12.115) 12.122 19.455 ( 0.000 0.344 5.967) 5.977 19.544 ( 0.000 -0.638 4.291) 4.339 19.713 ( 0.000 -3.500 3.378) 4.864 19.733 ( 0.000 -2.561 2.530) 3.600 19.939 ( 0.000 0.834 -3.571) 3.667 19.945 ( 0.000 0.748 -6.364) 6.408 19.947 ( 0.000 0.624 -3.524) 3.579 19.972 ( 0.000 -0.241 -8.863) 8.866 20.679 ( 0.000 0.413 9.061) 9.070 20.862 ( 0.000 -3.042 4.677) 5.579 21.070 ( 0.000 -3.978 -0.863) 4.071 21.082 ( 0.000 -5.307 -1.627) 5.551 21.357 ( 0.000 0.799 1.854) 2.019 21.399 ( 0.000 -2.417 2.915) 3.787 21.519 ( 0.000 -0.811 -2.815) 2.930 21.591 ( 0.000 -3.516 -3.452) 4.927 ======================= Grid point 67 (28/40) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.813 1.330 21.399) 21.456 1.594 ( -4.092 0.552 20.458) 20.870 1.707 ( 4.900 8.886 17.946) 20.616 1.798 ( -4.215 5.584 12.709) 14.507 2.046 ( 2.577 3.392 2.354) 4.867 2.107 ( -3.816 6.963 6.201) 10.075 2.387 ( 10.022 1.779 4.769) 11.240 2.531 ( 0.512 -2.449 1.887) 3.134 2.571 ( 1.996 -4.546 -3.434) 6.037 2.601 ( 0.163 1.266 -0.327) 1.318 2.622 ( 0.527 0.721 2.474) 2.630 2.771 ( -9.872 -0.242 -8.430) 12.984 2.815 ( 0.006 7.644 0.670) 7.674 2.852 ( -3.018 9.335 0.776) 9.841 2.903 ( 1.427 2.078 -4.082) 4.798 2.954 ( -3.408 4.326 -2.480) 6.040 3.046 ( 2.367 -2.930 -3.968) 5.471 3.054 ( 0.212 -1.932 -6.302) 6.594 3.149 ( 5.908 6.716 -0.606) 8.965 3.174 ( 0.529 -1.041 -2.389) 2.660 3.257 ( 1.937 2.131 8.097) 8.594 3.308 ( 0.664 3.278 -4.971) 5.992 3.310 ( 3.949 1.601 -6.104) 7.445 3.387 ( 3.478 5.636 6.377) 9.194 3.439 ( -7.099 4.989 9.617) 12.953 3.507 ( -5.907 7.897 9.595) 13.760 3.606 ( 3.074 1.381 0.666) 3.435 3.669 ( -0.727 -0.796 3.508) 3.670 3.730 ( -0.152 -1.445 -2.943) 3.282 3.788 ( -4.417 5.318 -8.112) 10.658 3.844 ( -2.336 6.855 -4.376) 8.462 3.856 ( -1.577 6.895 -6.344) 9.501 3.933 ( 1.470 -0.457 -0.567) 1.641 3.958 ( -1.407 -6.131 1.452) 6.455 4.090 ( 4.223 -0.638 1.435) 4.505 4.162 ( -2.289 -3.618 -0.246) 4.288 4.469 ( 7.130 -0.159 -6.659) 9.757 4.551 ( -0.218 6.777 4.745) 8.276 4.567 ( -0.589 7.786 6.672) 10.271 4.604 ( -4.178 -1.013 -6.720) 7.978 5.003 ( 2.998 -3.266 5.139) 6.787 5.054 ( -1.674 -4.536 3.040) 5.711 5.166 ( 2.679 -2.865 9.748) 10.508 5.222 ( -2.723 -2.240 7.097) 7.925 5.274 ( 1.485 -0.458 -0.202) 1.567 5.308 ( -1.680 3.420 2.820) 4.740 5.329 ( 1.517 0.254 7.776) 7.926 5.374 ( -2.819 1.756 5.457) 6.389 5.665 ( 1.429 -4.091 1.157) 4.485 5.701 ( -1.650 -4.219 3.927) 5.995 5.727 ( 1.410 -2.755 -1.373) 3.386 5.757 ( -1.014 -2.028 1.523) 2.731 5.835 ( 7.434 -3.320 3.173) 8.738 5.879 ( 2.088 -2.631 -1.302) 3.602 5.986 ( -2.081 -1.914 -6.931) 7.486 6.037 ( -4.912 1.557 4.850) 7.076 6.090 ( -0.236 2.717 1.269) 3.008 6.148 ( -4.257 2.187 0.875) 4.865 6.299 ( 4.121 -2.578 6.204) 7.882 6.365 ( -1.528 -4.235 3.821) 5.905 6.385 ( 1.387 -6.914 5.235) 8.783 6.423 ( -2.197 -4.120 3.942) 6.110 6.630 ( 3.264 1.405 -3.659) 5.101 6.684 ( -1.979 0.861 -4.982) 5.429 6.973 ( 3.140 -0.429 2.263) 3.894 7.042 ( -3.659 -1.945 4.116) 5.841 7.151 ( 2.867 -6.690 1.684) 7.471 7.193 ( -1.336 -5.565 3.171) 6.543 7.415 ( 1.222 6.734 -2.372) 7.243 7.440 ( -1.255 6.072 -3.702) 7.221 7.778 ( 1.737 1.509 -8.089) 8.410 7.813 ( -1.729 0.857 -8.565) 8.779 8.445 ( 0.315 6.457 -5.675) 8.602 8.449 ( 0.053 6.587 -5.870) 8.823 9.076 ( 2.711 -1.478 -0.540) 3.135 9.107 ( 2.036 -2.030 -1.374) 3.187 9.307 ( 0.792 -0.550 3.533) 3.662 9.360 ( -1.283 -0.532 -0.138) 1.396 9.383 ( -6.450 0.055 -0.881) 6.510 9.446 ( -6.107 -1.281 -1.352) 6.385 9.533 ( 5.583 1.262 2.473) 6.235 9.638 ( -4.213 -1.122 1.804) 4.718 9.678 ( 4.251 -1.814 1.432) 4.839 9.726 ( -1.072 3.040 0.814) 3.324 9.795 ( 0.788 3.888 2.284) 4.578 9.819 ( -0.817 7.351 1.035) 7.468 9.916 ( 0.822 2.733 -2.981) 4.127 9.933 ( -1.115 7.740 -2.137) 8.106 10.284 ( 5.398 2.509 5.605) 8.176 10.334 ( 1.685 1.112 5.863) 6.201 10.365 ( 0.864 2.958 7.891) 8.472 10.398 ( -2.484 4.510 11.359) 12.471 10.522 ( 2.628 0.034 6.219) 6.752 10.603 ( -3.460 0.340 5.831) 6.789 10.636 ( 1.401 -0.139 8.688) 8.801 10.695 ( -1.644 -2.782 13.202) 13.592 10.717 ( 1.618 3.877 9.631) 10.508 10.819 ( -4.494 1.558 13.422) 14.240 10.894 ( 1.998 -1.842 13.174) 13.451 10.940 ( -2.809 -0.528 12.312) 12.639 10.966 ( 1.822 1.233 8.220) 8.510 11.015 ( -1.889 -0.115 8.321) 8.534 11.096 ( -0.276 0.938 9.256) 9.308 11.106 ( -0.617 1.614 10.385) 10.528 11.283 ( 2.977 -2.078 2.589) 4.459 11.319 ( -1.857 -0.958 4.333) 4.811 11.462 ( 3.963 4.840 4.119) 7.489 11.519 ( -1.788 5.527 7.060) 9.143 11.729 ( 5.935 0.996 -2.217) 6.413 11.789 ( 1.363 -5.007 9.839) 11.123 11.950 ( -2.780 -0.443 6.469) 7.054 11.971 ( -4.191 1.267 3.516) 5.616 12.163 ( -0.102 8.184 13.445) 15.740 12.167 ( -0.778 8.952 11.465) 14.567 12.578 ( 1.841 -7.590 -1.454) 7.944 12.602 ( -0.581 -7.955 0.400) 7.987 12.893 ( 1.411 1.585 -0.535) 2.188 12.924 ( -1.368 2.884 -0.448) 3.223 13.016 ( 0.536 4.271 -5.648) 7.102 13.031 ( -0.437 3.497 -4.749) 5.914 13.224 ( 0.640 2.279 -8.125) 8.463 13.239 ( -0.811 3.904 -8.536) 9.421 13.755 ( 0.190 1.933 -16.264) 16.379 13.761 ( -0.383 2.123 -15.952) 16.097 14.958 ( 0.670 -8.936 -3.996) 9.811 14.964 ( 0.054 -8.741 -6.340) 10.798 15.110 ( 3.083 -4.669 4.858) 7.410 15.190 ( -4.907 -4.888 0.148) 6.928 15.365 ( 2.920 0.840 3.915) 4.956 15.420 ( -3.014 0.358 4.108) 5.108 15.592 ( 3.887 -5.489 -0.128) 6.727 15.654 ( -2.612 -4.449 -2.883) 5.910 15.767 ( 3.843 -2.209 -0.037) 4.433 15.852 ( -4.650 -4.729 4.398) 7.957 16.110 ( 2.398 2.745 -6.742) 7.664 16.151 ( -1.685 2.445 -6.094) 6.779 16.587 ( 0.380 -3.983 -13.543) 14.122 16.592 ( -0.075 -3.979 -11.341) 12.019 16.642 ( 0.134 -0.871 -12.789) 12.819 16.648 ( -0.466 0.217 -12.303) 12.314 19.476 ( 2.091 0.042 5.574) 5.953 19.520 ( -2.214 -0.461 4.764) 5.273 19.719 ( 0.568 -3.173 3.082) 4.460 19.729 ( -0.400 -2.724 2.683) 3.845 19.940 ( 0.139 0.712 -3.623) 3.695 19.943 ( -0.184 0.524 -3.917) 3.956 19.955 ( 0.698 0.550 -6.732) 6.790 19.967 ( -0.494 -0.019 -8.323) 8.338 20.720 ( 4.081 -0.178 8.579) 9.502 20.811 ( -4.819 -1.868 6.456) 8.270 21.072 ( 0.517 -4.517 -1.188) 4.700 21.083 ( -0.341 -5.040 -1.727) 5.339 21.361 ( 0.498 0.413 2.200) 2.293 21.379 ( -1.390 -0.915 2.758) 3.221 21.547 ( 2.132 -2.152 -3.112) 4.342 21.580 ( -1.228 -3.219 -3.413) 4.850 ======================= Grid point 69 (29/40) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.000 4.428 19.050) 19.558 1.677 ( 0.000 4.646 16.592) 17.231 1.849 ( 0.000 8.686 13.866) 16.362 1.859 ( 0.000 -0.348 9.956) 9.962 2.033 ( 0.000 -0.538 5.140) 5.168 2.240 ( 0.000 2.134 1.914) 2.867 2.368 ( 0.000 -1.404 5.302) 5.484 2.440 ( 0.000 -4.680 0.839) 4.754 2.516 ( 0.000 2.257 -1.260) 2.585 2.593 ( 0.000 -2.626 -0.654) 2.706 2.619 ( 0.000 2.393 2.218) 3.263 2.873 ( 0.000 -3.273 1.756) 3.715 2.901 ( 0.000 1.990 -2.971) 3.576 2.910 ( 0.000 -1.567 -7.745) 7.902 2.959 ( 0.000 -0.291 -0.939) 0.983 3.020 ( 0.000 -5.032 0.394) 5.048 3.027 ( 0.000 6.766 -0.788) 6.811 3.136 ( 0.000 3.676 7.151) 8.041 3.150 ( 0.000 1.809 -3.713) 4.130 3.287 ( 0.000 4.859 -8.222) 9.550 3.314 ( 0.000 18.003 -2.785) 18.217 3.409 ( 0.000 12.894 -1.624) 12.996 3.437 ( 0.000 10.348 -3.031) 10.783 3.475 ( 0.000 10.221 17.510) 20.275 3.611 ( 0.000 -2.864 11.395) 11.749 3.632 ( 0.000 7.210 1.977) 7.476 3.688 ( 0.000 4.045 -0.562) 4.084 3.735 ( 0.000 4.497 5.394) 7.023 3.736 ( 0.000 6.804 -2.973) 7.425 3.834 ( 0.000 -4.318 4.160) 5.995 3.949 ( 0.000 3.020 -1.246) 3.267 3.962 ( 0.000 2.394 -5.064) 5.601 3.982 ( 0.000 2.509 -4.324) 4.999 4.008 ( 0.000 5.898 -9.194) 10.923 4.104 ( 0.000 3.436 3.267) 4.741 4.110 ( 0.000 0.899 -4.522) 4.610 4.445 ( 0.000 8.008 -1.923) 8.236 4.621 ( 0.000 -1.241 -4.362) 4.536 4.633 ( 0.000 2.909 8.113) 8.619 4.775 ( 0.000 7.214 3.759) 8.135 4.912 ( 0.000 -3.686 6.558) 7.523 4.989 ( 0.000 -2.576 2.411) 3.528 5.086 ( 0.000 -1.136 10.401) 10.462 5.169 ( 0.000 -7.359 2.315) 7.715 5.198 ( 0.000 -2.764 -4.338) 5.144 5.245 ( 0.000 -4.776 9.796) 10.898 5.411 ( 0.000 3.247 8.231) 8.848 5.466 ( 0.000 1.951 -2.517) 3.185 5.566 ( 0.000 -10.288 6.331) 12.080 5.587 ( 0.000 -3.652 0.319) 3.666 5.612 ( 0.000 -7.202 -2.310) 7.564 5.681 ( 0.000 -2.556 -3.782) 4.565 5.726 ( 0.000 -0.372 1.779) 1.817 5.835 ( 0.000 -1.179 3.037) 3.258 5.895 ( 0.000 -7.282 -5.215) 8.957 6.110 ( 0.000 -8.112 1.881) 8.327 6.137 ( 0.000 -1.848 5.243) 5.559 6.191 ( 0.000 2.274 7.970) 8.287 6.215 ( 0.000 -6.295 1.303) 6.428 6.270 ( 0.000 -5.670 0.429) 5.686 6.274 ( 0.000 8.825 -3.286) 9.417 6.450 ( 0.000 2.825 7.074) 7.617 6.606 ( 0.000 -0.007 0.460) 0.460 6.693 ( 0.000 -1.034 0.094) 1.038 6.947 ( 0.000 -0.795 -1.891) 2.051 6.994 ( 0.000 -5.327 3.116) 6.172 7.026 ( 0.000 -3.079 6.478) 7.172 7.103 ( 0.000 -4.912 3.690) 6.143 7.520 ( 0.000 5.691 -3.362) 6.610 7.590 ( 0.000 7.689 -3.171) 8.317 7.757 ( 0.000 -2.127 -7.061) 7.374 7.836 ( 0.000 -0.031 -7.429) 7.429 8.568 ( 0.000 6.898 -3.682) 7.819 8.604 ( 0.000 8.479 -4.583) 9.638 9.017 ( 0.000 -3.217 -1.022) 3.375 9.078 ( 0.000 -1.106 -0.783) 1.355 9.259 ( 0.000 1.346 4.542) 4.737 9.391 ( 0.000 -1.757 1.236) 2.148 9.483 ( 0.000 -1.971 -2.313) 3.039 9.487 ( 0.000 2.426 1.487) 2.845 9.504 ( 0.000 -2.579 -0.872) 2.722 9.567 ( 0.000 2.187 1.186) 2.488 9.688 ( 0.000 1.520 1.867) 2.408 9.714 ( 0.000 -3.990 0.415) 4.011 9.880 ( 0.000 4.495 2.327) 5.062 9.907 ( 0.000 5.056 0.602) 5.092 9.988 ( 0.000 3.712 3.248) 4.932 10.186 ( 0.000 12.523 0.729) 12.544 10.252 ( 0.000 -4.302 10.323) 11.183 10.334 ( 0.000 4.152 5.755) 7.097 10.408 ( 0.000 2.406 5.475) 5.980 10.482 ( 0.000 -1.957 2.123) 2.887 10.560 ( 0.000 -4.423 13.753) 14.447 10.590 ( 0.000 5.285 17.408) 18.192 10.637 ( 0.000 4.328 13.448) 14.127 10.740 ( 0.000 4.189 6.893) 8.066 10.772 ( 0.000 -1.313 9.828) 9.916 10.802 ( 0.000 2.667 6.002) 6.567 10.907 ( 0.000 1.248 5.428) 5.569 10.952 ( 0.000 4.210 11.433) 12.183 11.042 ( 0.000 3.330 3.434) 4.783 11.064 ( 0.000 -1.468 10.057) 10.164 11.076 ( 0.000 3.543 8.461) 9.173 11.151 ( 0.000 1.113 10.631) 10.689 11.222 ( 0.000 -0.444 2.351) 2.392 11.387 ( 0.000 -0.359 2.875) 2.897 11.512 ( 0.000 7.973 4.874) 9.345 11.584 ( 0.000 -2.556 0.488) 2.602 11.634 ( 0.000 -6.504 13.159) 14.679 11.721 ( 0.000 5.060 4.272) 6.622 11.973 ( 0.000 -1.332 5.597) 5.754 12.074 ( 0.000 -0.043 0.723) 0.724 12.308 ( 0.000 7.739 15.378) 17.216 12.352 ( 0.000 7.929 13.575) 15.721 12.454 ( 0.000 -1.478 -1.125) 1.858 12.514 ( 0.000 -0.477 4.517) 4.542 12.882 ( 0.000 -0.956 -2.116) 2.322 12.954 ( 0.000 -1.062 -0.236) 1.088 12.982 ( 0.000 -4.399 -4.476) 6.276 13.017 ( 0.000 -3.666 -2.439) 4.403 13.400 ( 0.000 15.367 -12.120) 19.572 13.464 ( 0.000 15.132 -12.920) 19.897 13.801 ( 0.000 2.915 -15.257) 15.533 13.822 ( 0.000 3.513 -15.717) 16.105 14.758 ( 0.000 -10.421 -1.374) 10.511 14.761 ( 0.000 -11.364 -4.482) 12.216 14.901 ( 0.000 -13.286 6.666) 14.865 15.032 ( 0.000 -16.484 -4.390) 17.059 15.347 ( 0.000 1.791 12.045) 12.177 15.449 ( 0.000 -0.239 -0.119) 0.268 15.529 ( 0.000 0.988 1.368) 1.687 15.658 ( 0.000 -3.673 -4.760) 6.012 15.668 ( 0.000 2.056 -1.823) 2.748 15.727 ( 0.000 -9.058 10.162) 13.613 16.076 ( 0.000 -5.254 -7.706) 9.327 16.131 ( 0.000 -7.220 -5.615) 9.146 16.560 ( 0.000 1.273 -13.218) 13.279 16.562 ( 0.000 2.823 -16.038) 16.285 16.636 ( 0.000 0.720 -15.565) 15.582 16.666 ( 0.000 0.808 -13.544) 13.569 19.469 ( 0.000 1.173 5.531) 5.654 19.532 ( 0.000 -0.428 4.383) 4.404 19.636 ( 0.000 -4.082 4.563) 6.122 19.664 ( 0.000 -4.440 3.053) 5.388 19.954 ( 0.000 0.249 -6.743) 6.748 19.956 ( 0.000 0.752 -4.478) 4.541 19.962 ( 0.000 0.856 -4.110) 4.198 19.966 ( 0.000 -0.125 -7.116) 7.117 20.683 ( 0.000 -0.038 6.635) 6.636 20.791 ( 0.000 -3.758 4.581) 5.926 20.937 ( 0.000 -9.041 0.764) 9.073 20.942 ( 0.000 -8.283 1.246) 8.377 21.379 ( 0.000 1.646 0.913) 1.882 21.396 ( 0.000 1.856 0.090) 1.858 21.500 ( 0.000 -1.132 -2.918) 3.130 21.524 ( 0.000 -3.066 -3.006) 4.294 ======================= Grid point 70 (30/40) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.900 5.684 18.514) 19.388 1.657 ( -3.583 5.547 17.392) 18.603 1.846 ( 2.681 4.140 11.330) 12.357 1.887 ( -0.544 4.072 10.566) 11.336 2.082 ( 5.230 -0.415 7.056) 8.793 2.196 ( -5.606 0.874 6.552) 8.667 2.380 ( 2.273 -4.141 2.053) 5.151 2.423 ( -1.834 -6.671 1.028) 6.995 2.529 ( 2.554 0.666 -3.948) 4.749 2.580 ( -1.926 -0.273 -4.267) 4.689 2.668 ( 4.261 1.630 0.724) 4.619 2.778 ( -7.609 -0.981 -6.283) 9.916 2.879 ( -0.952 1.656 -0.422) 1.956 2.904 ( -2.571 2.196 2.706) 4.330 2.977 ( 3.193 1.406 1.294) 3.721 3.019 ( -0.031 3.164 0.194) 3.170 3.034 ( 2.829 -3.234 -1.124) 4.441 3.102 ( -2.647 3.330 5.710) 7.121 3.304 ( 8.420 5.761 -3.014) 10.638 3.332 ( 4.897 13.777 -0.484) 14.629 3.359 ( -0.894 13.444 -0.418) 13.480 3.385 ( 4.581 5.136 -5.588) 8.865 3.473 ( -0.407 11.874 -4.299) 12.634 3.517 ( 5.210 3.432 9.748) 11.574 3.558 ( -10.802 7.893 2.278) 13.571 3.613 ( 0.463 3.269 13.045) 13.456 3.657 ( -4.014 2.156 0.517) 4.585 3.694 ( -2.988 7.307 6.554) 10.260 3.724 ( 3.661 3.195 -2.672) 5.545 3.827 ( -1.089 -1.791 -1.519) 2.589 3.876 ( -3.765 0.820 -0.652) 3.908 3.916 ( -4.505 0.513 -2.272) 5.072 3.989 ( 1.644 5.205 -6.474) 8.468 4.018 ( -0.681 6.980 -6.958) 9.879 4.093 ( 0.170 1.925 0.719) 2.062 4.108 ( -1.125 -1.086 1.258) 2.007 4.498 ( 4.936 4.344 -2.026) 6.880 4.585 ( -3.606 0.059 -2.481) 4.377 4.670 ( 3.215 5.368 4.335) 7.612 4.735 ( -3.393 7.167 3.093) 8.511 4.954 ( 3.454 -2.660 5.899) 7.335 4.994 ( -0.300 -2.299 3.021) 3.808 5.112 ( 1.899 -2.818 7.058) 7.834 5.149 ( -1.944 -5.861 3.864) 7.284 5.232 ( 4.129 -3.630 -2.313) 5.964 5.297 ( 4.789 -2.070 8.233) 9.747 5.340 ( -6.302 -0.820 2.589) 6.862 5.397 ( -5.509 0.635 3.251) 6.428 5.589 ( 1.347 -4.018 3.389) 5.426 5.598 ( 1.674 -6.425 6.748) 9.467 5.654 ( 1.190 -7.594 -4.815) 9.070 5.670 ( -0.565 -4.904 -4.020) 6.366 5.750 ( 2.602 -0.695 3.443) 4.371 5.808 ( -2.576 -3.971 1.059) 4.850 5.923 ( 3.501 -3.171 -2.753) 5.468 6.024 ( -6.319 -4.013 -0.426) 7.497 6.166 ( 0.887 -0.376 3.232) 3.372 6.178 ( -0.472 -0.603 4.307) 4.375 6.233 ( 1.503 -4.993 2.015) 5.590 6.263 ( -1.110 -5.609 2.511) 6.244 6.322 ( 4.305 5.569 2.384) 7.431 6.405 ( -4.090 3.562 6.124) 8.180 6.641 ( 3.123 -0.023 -1.372) 3.411 6.689 ( -1.287 -0.529 -1.204) 1.840 6.950 ( 1.394 -1.944 2.236) 3.274 6.994 ( -2.554 -2.760 5.342) 6.532 7.035 ( 2.925 -5.179 2.538) 6.467 7.085 ( -2.023 -5.079 3.238) 6.354 7.538 ( 1.726 6.123 -3.432) 7.228 7.573 ( -1.668 7.103 -3.334) 8.022 7.778 ( 2.009 -1.643 -7.223) 7.675 7.818 ( -1.866 -0.624 -7.394) 7.651 8.590 ( 1.911 8.190 -3.163) 8.985 8.611 ( 0.082 9.282 -3.616) 9.962 9.012 ( 0.558 -4.623 -1.000) 4.763 9.055 ( -2.744 -3.649 -1.073) 4.690 9.303 ( 3.447 0.476 3.350) 4.830 9.354 ( -2.395 -0.363 0.581) 2.491 9.389 ( -1.973 0.471 -1.528) 2.540 9.439 ( -4.971 -0.454 -1.907) 5.343 9.538 ( 3.374 0.781 2.737) 4.414 9.631 ( -5.355 0.998 3.755) 6.616 9.682 ( 7.142 0.994 -0.577) 7.234 9.751 ( 1.300 -1.331 0.092) 1.862 9.867 ( -0.050 4.187 3.030) 5.169 9.932 ( -4.691 3.151 5.466) 7.862 9.984 ( 6.669 4.496 0.803) 8.082 10.109 ( -6.227 8.127 2.360) 10.507 10.308 ( 4.330 -1.529 5.825) 7.418 10.360 ( -0.445 2.185 1.447) 2.658 10.429 ( 3.443 3.075 9.155) 10.253 10.491 ( -1.687 3.537 4.929) 6.297 10.537 ( 0.624 1.726 11.720) 11.863 10.592 ( 2.019 -2.673 12.971) 13.396 10.625 ( -4.874 -1.569 14.399) 15.282 10.654 ( -3.988 1.031 9.396) 10.259 10.796 ( 4.223 4.242 8.792) 10.636 10.848 ( 0.178 3.320 4.354) 5.478 10.936 ( 1.438 4.816 11.479) 12.531 10.954 ( 0.077 2.362 8.015) 8.356 11.008 ( -2.184 3.339 5.887) 7.112 11.034 ( -2.001 2.526 2.386) 4.009 11.103 ( 2.288 0.085 12.825) 13.028 11.133 ( -1.000 0.879 13.653) 13.718 11.261 ( 2.351 -0.727 2.719) 3.667 11.316 ( -4.243 0.296 3.507) 5.512 11.561 ( 2.092 3.988 4.247) 6.190 11.583 ( -0.477 -0.317 3.640) 3.685 11.687 ( 5.472 -4.253 9.874) 12.063 11.750 ( 0.867 2.161 4.141) 4.751 11.946 ( -0.681 -1.047 4.166) 4.349 12.011 ( -5.606 0.128 0.671) 5.648 12.322 ( 1.192 8.151 14.956) 17.075 12.343 ( -0.836 8.632 14.906) 17.245 12.480 ( 1.849 -1.468 -0.348) 2.386 12.505 ( -0.868 -1.021 2.558) 2.888 12.893 ( 1.337 -1.174 -2.069) 2.729 12.928 ( -2.071 -1.441 -1.306) 2.840 13.001 ( 1.243 -3.788 -3.295) 5.172 13.016 ( -0.271 -3.647 -2.643) 4.512 13.415 ( 1.536 15.329 -12.033) 19.548 13.447 ( -1.604 15.219 -12.400) 19.697 13.805 ( 0.474 3.075 -15.500) 15.809 13.816 ( -0.565 3.382 -15.716) 16.086 14.761 ( 0.411 -10.944 -3.527) 11.505 14.766 ( 0.105 -10.922 -4.239) 11.717 14.924 ( 2.550 -13.771 6.167) 15.303 14.989 ( -3.760 -15.145 0.830) 15.627 15.381 ( 2.855 1.046 7.553) 8.142 15.429 ( -2.029 0.334 2.406) 3.165 15.553 ( 2.443 -0.194 0.210) 2.460 15.610 ( -3.296 -1.158 -2.023) 4.037 15.696 ( 1.408 -2.436 -0.091) 2.815 15.718 ( -0.905 -6.222 5.633) 8.441 16.091 ( 1.418 -5.906 -6.921) 9.208 16.118 ( -1.249 -6.853 -5.931) 9.148 16.560 ( 0.040 1.776 -14.311) 14.421 16.562 ( -0.077 2.317 -15.205) 15.381 16.644 ( 0.747 0.733 -14.947) 14.984 16.659 ( -0.696 0.786 -13.973) 14.012 19.483 ( 1.429 0.776 5.319) 5.562 19.514 ( -1.634 -0.025 4.787) 5.059 19.645 ( 0.783 -4.183 4.067) 5.887 19.659 ( -0.538 -4.363 3.355) 5.530 19.954 ( 0.032 0.417 -5.565) 5.581 19.955 ( -0.103 0.736 -4.801) 4.858 19.963 ( 0.154 0.359 -5.675) 5.688 19.966 ( -0.076 0.166 -6.477) 6.479 20.709 ( 2.602 -0.774 6.352) 6.908 20.763 ( -2.690 -2.626 5.352) 6.540 20.937 ( 0.152 -8.697 0.905) 8.745 20.942 ( -0.199 -8.767 0.829) 8.808 21.382 ( 0.267 1.802 0.749) 1.970 21.389 ( -0.511 1.951 0.345) 2.046 21.508 ( 0.689 -1.783 -2.992) 3.550 21.520 ( -0.459 -2.709 -3.026) 4.088 ======================= Grid point 72 (31/40) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 4.555 14.737) 15.425 1.752 ( 0.000 1.412 12.434) 12.514 1.863 ( 0.000 2.300 10.332) 10.585 1.937 ( 0.000 -2.574 6.903) 7.367 2.049 ( 0.000 6.478 11.077) 12.832 2.218 ( 0.000 -9.730 4.830) 10.863 2.271 ( 0.000 2.018 2.329) 3.081 2.345 ( 0.000 -5.560 4.688) 7.273 2.561 ( 0.000 2.430 -5.084) 5.635 2.591 ( 0.000 -0.206 -4.201) 4.206 2.713 ( 0.000 6.421 3.102) 7.131 2.815 ( 0.000 -3.669 3.894) 5.350 2.880 ( 0.000 -0.777 -7.058) 7.101 2.896 ( 0.000 -2.148 -6.029) 6.400 2.961 ( 0.000 0.586 0.009) 0.586 2.973 ( 0.000 -0.403 2.421) 2.454 3.133 ( 0.000 2.453 4.075) 4.756 3.139 ( 0.000 -0.467 1.698) 1.761 3.177 ( 0.000 3.899 7.278) 8.257 3.289 ( 0.000 -5.084 1.587) 5.326 3.545 ( 0.000 1.932 4.705) 5.087 3.561 ( 0.000 3.204 -0.492) 3.242 3.615 ( 0.000 3.791 9.284) 10.028 3.620 ( 0.000 5.640 0.745) 5.689 3.705 ( 0.000 8.106 3.807) 8.955 3.738 ( 0.000 0.224 3.131) 3.139 3.765 ( 0.000 3.754 -1.498) 4.042 3.768 ( 0.000 4.361 1.239) 4.534 3.841 ( 0.000 2.730 -1.374) 3.056 3.852 ( 0.000 0.802 0.615) 1.011 4.010 ( 0.000 2.922 -6.008) 6.681 4.014 ( 0.000 3.525 -0.188) 3.530 4.052 ( 0.000 6.088 -11.652) 13.146 4.083 ( 0.000 3.336 -7.351) 8.072 4.175 ( 0.000 3.279 -4.573) 5.626 4.192 ( 0.000 2.897 -1.726) 3.372 4.622 ( 0.000 1.407 3.209) 3.504 4.624 ( 0.000 3.545 7.394) 8.200 4.677 ( 0.000 5.154 7.644) 9.219 4.775 ( 0.000 -5.660 2.282) 6.103 4.861 ( 0.000 2.184 3.558) 4.175 4.943 ( 0.000 -1.084 2.910) 3.105 4.967 ( 0.000 -9.053 0.498) 9.067 5.093 ( 0.000 -7.784 14.385) 16.356 5.151 ( 0.000 -0.876 9.093) 9.135 5.170 ( 0.000 -0.470 -0.364) 0.595 5.411 ( 0.000 -2.108 -4.651) 5.106 5.454 ( 0.000 -3.589 -0.290) 3.601 5.464 ( 0.000 1.718 2.786) 3.274 5.515 ( 0.000 -3.645 -0.137) 3.648 5.535 ( 0.000 1.885 -4.069) 4.484 5.614 ( 0.000 -4.668 -4.877) 6.751 5.773 ( 0.000 2.509 -0.037) 2.509 5.796 ( 0.000 -2.032 3.406) 3.966 5.815 ( 0.000 1.986 5.281) 5.642 5.949 ( 0.000 -8.539 2.848) 9.002 6.107 ( 0.000 0.088 2.538) 2.539 6.138 ( 0.000 -1.567 1.263) 2.013 6.169 ( 0.000 -4.130 0.689) 4.187 6.172 ( 0.000 -2.445 3.875) 4.582 6.463 ( 0.000 9.277 -1.137) 9.347 6.555 ( 0.000 6.221 5.224) 8.123 6.589 ( 0.000 -2.943 -1.475) 3.292 6.647 ( 0.000 -3.632 4.747) 5.977 6.911 ( 0.000 -2.129 1.817) 2.799 6.912 ( 0.000 -2.645 4.692) 5.386 6.997 ( 0.000 0.347 4.971) 4.983 7.029 ( 0.000 -2.779 3.876) 4.769 7.620 ( 0.000 4.643 -3.826) 6.016 7.699 ( 0.000 -3.605 -4.902) 6.085 7.724 ( 0.000 5.969 -4.514) 7.484 7.810 ( 0.000 -2.898 -6.223) 6.865 8.687 ( 0.000 4.942 -3.993) 6.353 8.723 ( 0.000 2.421 -5.001) 5.556 8.976 ( 0.000 0.240 2.465) 2.477 9.026 ( 0.000 -3.642 1.839) 4.079 9.304 ( 0.000 2.850 2.485) 3.781 9.356 ( 0.000 -2.278 1.432) 2.691 9.460 ( 0.000 -0.326 -0.986) 1.038 9.468 ( 0.000 -1.101 -0.450) 1.189 9.538 ( 0.000 3.064 1.346) 3.347 9.603 ( 0.000 -2.063 1.060) 2.319 9.653 ( 0.000 1.330 0.853) 1.580 9.698 ( 0.000 -1.141 0.684) 1.331 9.957 ( 0.000 3.287 0.897) 3.407 9.982 ( 0.000 1.328 -2.088) 2.475 10.045 ( 0.000 3.521 9.607) 10.232 10.140 ( 0.000 -6.289 10.288) 12.057 10.363 ( 0.000 0.549 8.749) 8.767 10.369 ( 0.000 3.345 3.132) 4.582 10.444 ( 0.000 1.144 6.918) 7.012 10.447 ( 0.000 1.300 4.609) 4.789 10.501 ( 0.000 -0.369 13.889) 13.893 10.582 ( 0.000 -5.121 15.548) 16.370 10.732 ( 0.000 3.987 11.917) 12.566 10.765 ( 0.000 0.572 10.703) 10.718 10.856 ( 0.000 5.161 8.552) 9.989 10.878 ( 0.000 3.646 2.741) 4.561 10.938 ( 0.000 1.069 6.525) 6.611 10.970 ( 0.000 -2.972 10.358) 10.776 11.080 ( 0.000 2.970 17.978) 18.222 11.101 ( 0.000 1.174 12.331) 12.387 11.167 ( 0.000 2.242 2.658) 3.477 11.205 ( 0.000 -1.383 -0.495) 1.469 11.224 ( 0.000 10.413 -1.095) 10.471 11.371 ( 0.000 -1.864 3.494) 3.960 11.485 ( 0.000 -5.899 1.324) 6.045 11.506 ( 0.000 -6.173 10.582) 12.251 11.660 ( 0.000 7.229 2.191) 7.554 11.770 ( 0.000 -2.335 2.474) 3.402 11.941 ( 0.000 0.852 1.367) 1.611 12.013 ( 0.000 -4.866 -0.148) 4.868 12.442 ( 0.000 5.402 16.781) 17.629 12.466 ( 0.000 3.154 15.782) 16.094 12.497 ( 0.000 3.864 8.543) 9.376 12.542 ( 0.000 0.349 14.350) 14.355 12.867 ( 0.000 1.171 -8.259) 8.341 12.917 ( 0.000 -2.114 -2.855) 3.553 12.922 ( 0.000 -1.590 -5.876) 6.087 12.939 ( 0.000 -3.890 -6.951) 7.966 13.700 ( 0.000 13.387 -12.692) 18.447 13.749 ( 0.000 12.121 -14.430) 18.845 13.842 ( 0.000 0.108 -14.177) 14.177 13.876 ( 0.000 0.499 -16.086) 16.093 14.576 ( 0.000 -5.896 -0.048) 5.896 14.591 ( 0.000 -5.693 2.552) 6.239 14.651 ( 0.000 -8.966 1.533) 9.096 14.713 ( 0.000 -13.526 -0.588) 13.539 15.399 ( 0.000 3.734 11.002) 11.618 15.460 ( 0.000 1.785 1.944) 2.639 15.485 ( 0.000 -4.615 6.545) 8.009 15.534 ( 0.000 -6.354 6.137) 8.834 15.740 ( 0.000 7.261 -6.671) 9.860 15.765 ( 0.000 7.616 -4.983) 9.101 15.916 ( 0.000 -9.784 -8.136) 12.724 15.947 ( 0.000 -10.386 -6.610) 12.311 16.613 ( 0.000 2.858 -14.957) 15.228 16.633 ( 0.000 2.588 -15.619) 15.832 16.648 ( 0.000 0.530 -15.862) 15.871 16.674 ( 0.000 -0.398 -14.839) 14.845 19.505 ( 0.000 2.744 4.892) 5.609 19.534 ( 0.000 0.814 4.646) 4.717 19.568 ( 0.000 -2.774 4.887) 5.620 19.575 ( 0.000 -4.419 4.000) 5.960 19.959 ( 0.000 0.339 -6.010) 6.019 19.964 ( 0.000 0.013 -5.282) 5.282 19.970 ( 0.000 0.361 -6.282) 6.292 19.973 ( 0.000 0.155 -5.367) 5.369 20.693 ( 0.000 1.754 4.949) 5.250 20.744 ( 0.000 -1.003 3.950) 4.075 20.780 ( 0.000 -5.866 3.493) 6.827 20.802 ( 0.000 -5.420 3.116) 6.251 21.423 ( 0.000 2.612 -1.136) 2.848 21.439 ( 0.000 2.233 -1.796) 2.865 21.472 ( 0.000 -2.362 -2.434) 3.392 21.476 ( 0.000 -1.697 -2.653) 3.149 ======================= Grid point 73 (32/40) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 2.607 6.766 13.838) 15.622 1.781 ( -0.527 5.986 12.405) 13.784 1.852 ( 1.627 -2.163 10.010) 10.370 1.914 ( -2.796 -3.405 7.921) 9.064 2.093 ( 4.604 4.364 10.026) 11.865 2.199 ( -5.375 1.183 6.379) 8.425 2.234 ( 1.090 -7.798 4.859) 9.252 2.295 ( -4.236 -6.697 4.469) 9.097 2.579 ( 2.911 3.559 -6.446) 7.917 2.620 ( 1.368 1.316 -6.606) 6.873 2.675 ( -1.802 0.820 -3.288) 3.838 2.732 ( -5.879 -3.407 -6.459) 9.375 2.920 ( 2.347 2.384 2.564) 4.215 2.944 ( -0.338 1.034 1.846) 2.142 2.977 ( 2.570 -1.504 3.402) 4.521 2.990 ( 1.051 -0.673 1.447) 1.910 3.117 ( 2.523 6.346 4.519) 8.188 3.164 ( -0.752 5.067 8.313) 9.764 3.258 ( 6.818 -5.334 1.178) 8.737 3.323 ( 1.292 -8.049 3.855) 9.017 3.547 ( 0.738 3.998 1.457) 4.319 3.564 ( 0.508 2.200 1.275) 2.593 3.603 ( -2.168 4.851 0.789) 5.372 3.613 ( -1.884 2.117 4.750) 5.531 3.709 ( -0.659 6.123 -0.302) 6.165 3.730 ( -1.943 5.766 0.177) 6.087 3.749 ( 3.548 5.756 2.117) 7.086 3.794 ( 1.673 1.679 -0.558) 2.436 3.825 ( 0.835 2.286 1.970) 3.131 3.843 ( 0.299 3.211 0.104) 3.227 3.939 ( -7.511 5.197 -2.061) 9.363 3.951 ( -8.828 3.989 -3.759) 10.391 4.057 ( 3.525 3.486 -7.006) 8.583 4.088 ( 1.487 1.502 -5.389) 5.788 4.137 ( -2.386 1.972 -5.053) 5.925 4.154 ( -2.562 1.661 -2.228) 3.780 4.636 ( 1.090 7.298 6.660) 9.940 4.646 ( 0.570 7.156 7.377) 10.294 4.740 ( 4.881 0.221 3.178) 5.828 4.818 ( -1.681 -6.900 4.585) 8.453 4.840 ( 3.736 2.975 -0.245) 4.782 4.930 ( -3.011 -2.131 0.776) 3.769 4.984 ( 3.291 -8.798 3.570) 10.049 5.058 ( -3.429 -7.436 10.474) 13.295 5.201 ( 4.579 1.425 1.412) 4.999 5.250 ( 6.986 -3.326 5.315) 9.387 5.313 ( -6.938 0.967 -2.168) 7.333 5.383 ( -6.466 -3.390 3.975) 8.313 5.501 ( 1.690 -1.764 -1.275) 2.755 5.524 ( -0.657 -0.087 -1.942) 2.052 5.534 ( 2.167 -3.245 -1.956) 4.364 5.587 ( -2.714 -4.364 -3.365) 6.143 5.789 ( 1.088 2.644 2.675) 3.916 5.801 ( -0.165 4.024 5.749) 7.019 5.850 ( 3.515 -3.793 1.452) 5.371 5.918 ( -3.197 -6.444 1.787) 7.412 6.123 ( 1.475 -0.868 2.724) 3.217 6.139 ( -0.021 -1.488 1.535) 2.138 6.161 ( -0.483 -3.149 1.485) 3.515 6.165 ( -0.698 -3.639 1.734) 4.091 6.487 ( 2.288 8.877 1.153) 9.239 6.532 ( -2.156 7.543 4.352) 8.971 6.615 ( 2.270 -3.701 -0.940) 4.442 6.648 ( -0.673 -4.116 2.497) 4.862 6.917 ( 1.777 -0.488 4.012) 4.415 6.948 ( 2.486 -3.050 3.867) 5.517 6.969 ( -2.375 -0.029 4.450) 5.044 7.005 ( -2.471 -3.238 3.725) 5.519 7.645 ( 2.463 4.924 -4.042) 6.830 7.697 ( -2.509 5.465 -4.361) 7.428 7.726 ( 2.563 -3.407 -5.269) 6.778 7.782 ( -2.774 -3.165 -5.902) 7.249 8.737 ( 4.752 6.504 -2.559) 8.451 8.769 ( 3.461 5.436 -3.110) 7.156 8.926 ( -3.773 -3.046 0.098) 4.850 8.967 ( -5.926 -5.089 -0.285) 7.816 9.323 ( 2.442 1.395 2.017) 3.461 9.346 ( 0.686 -0.737 0.724) 1.240 9.396 ( -3.330 0.453 -0.231) 3.368 9.415 ( -4.013 -1.495 -0.398) 4.301 9.588 ( 3.410 3.666 2.293) 5.507 9.654 ( 3.791 -2.063 1.114) 4.457 9.677 ( -2.730 1.600 2.233) 3.873 9.719 ( 1.362 -1.772 1.675) 2.793 9.940 ( 0.970 3.654 1.870) 4.217 9.983 ( 2.487 1.147 3.721) 4.621 10.038 ( -0.832 2.018 4.482) 4.985 10.121 ( -4.974 -5.265 6.177) 9.519 10.348 ( 3.294 5.625 5.308) 8.406 10.410 ( -2.190 3.608 5.626) 7.033 10.450 ( 3.390 -2.783 8.279) 9.369 10.479 ( 1.567 -3.203 6.730) 7.617 10.537 ( 4.053 0.625 12.025) 12.705 10.570 ( -0.215 -2.709 14.684) 14.933 10.628 ( -6.448 3.694 11.786) 13.933 10.674 ( -8.230 -0.610 8.497) 11.845 10.895 ( 5.376 5.020 10.176) 12.556 10.927 ( 3.854 2.859 2.243) 5.297 11.011 ( 1.932 2.348 7.867) 8.434 11.029 ( 2.166 2.737 11.190) 11.722 11.050 ( -2.172 0.372 9.921) 10.163 11.076 ( -3.067 1.091 7.077) 7.790 11.121 ( -0.613 1.356 8.371) 8.502 11.140 ( -2.891 -0.361 6.422) 7.052 11.300 ( 3.254 6.728 1.842) 7.697 11.346 ( -2.150 4.101 4.716) 6.609 11.485 ( 0.572 -8.192 3.440) 8.903 11.502 ( -0.813 -7.970 6.464) 10.294 11.729 ( 6.369 5.959 2.278) 9.014 11.812 ( 2.320 1.324 1.924) 3.292 11.887 ( -3.276 -2.059 1.172) 4.043 11.953 ( -5.579 -4.995 0.032) 7.488 12.460 ( 1.570 5.695 16.881) 17.885 12.475 ( 0.328 4.394 15.667) 16.275 12.509 ( 0.964 2.236 9.219) 9.535 12.529 ( -1.168 0.663 12.681) 12.752 12.876 ( 1.011 0.869 -6.958) 7.084 12.901 ( -1.403 -0.148 -4.361) 4.584 12.930 ( 0.771 -3.557 -6.301) 7.277 12.941 ( -0.176 -3.734 -6.348) 7.367 13.713 ( 1.280 13.337 -12.776) 18.513 13.738 ( -1.156 12.889 -13.535) 18.725 13.847 ( 0.685 -0.293 -15.023) 15.042 13.865 ( -0.999 0.098 -15.876) 15.907 14.585 ( 0.927 -5.216 -0.605) 5.332 14.598 ( 0.048 -4.638 -0.836) 4.713 14.655 ( 0.953 -11.172 3.964) 11.892 14.690 ( -2.159 -12.860 1.773) 13.160 15.418 ( 1.680 3.034 8.695) 9.361 15.447 ( -1.215 1.951 4.439) 4.999 15.497 ( 1.005 -4.587 5.540) 7.263 15.520 ( -1.297 -5.645 5.927) 8.287 15.747 ( 0.666 7.274 -6.242) 9.608 15.760 ( -0.563 7.451 -5.419) 9.230 15.923 ( 0.711 -10.045 -7.642) 12.642 15.938 ( -0.804 -10.324 -6.885) 12.435 16.619 ( 0.591 3.039 -15.155) 15.468 16.630 ( -0.474 3.241 -15.457) 15.800 16.653 ( 0.598 -0.287 -15.610) 15.624 16.667 ( -0.694 -0.410 -15.089) 15.111 19.512 ( 0.652 2.334 4.871) 5.441 19.526 ( -0.743 1.398 4.772) 5.028 19.571 ( 0.224 -3.286 4.611) 5.666 19.574 ( -0.101 -4.080 4.191) 5.850 19.961 ( 0.217 0.418 -5.923) 5.941 19.966 ( -0.088 0.343 -5.743) 5.754 19.967 ( 0.054 0.072 -5.740) 5.740 19.971 ( -0.204 0.032 -5.550) 5.553 20.708 ( 1.408 1.315 4.806) 5.178 20.734 ( -1.091 0.211 4.368) 4.507 20.782 ( 0.397 -6.283 3.242) 7.082 20.794 ( -0.698 -5.750 3.100) 6.570 21.427 ( 0.337 2.563 -1.285) 2.886 21.434 ( -0.406 2.382 -1.612) 2.904 21.473 ( 0.109 -2.244 -2.496) 3.358 21.475 ( -0.069 -1.910 -2.609) 3.235 ======================= Grid point 84 (33/40) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 0.000 3.301) 3.301 1.939 ( 0.000 0.000 16.935) 16.935 1.991 ( 0.000 0.000 3.699) 3.699 1.995 ( 0.000 0.000 18.959) 18.959 2.021 ( 0.000 0.000 21.058) 21.058 2.270 ( 0.000 0.000 10.028) 10.028 2.320 ( 0.000 0.000 -11.167) 11.167 2.323 ( 0.000 0.000 -12.663) 12.663 2.434 ( 0.000 0.000 -19.253) 19.253 2.437 ( 0.000 0.000 0.146) 0.146 2.489 ( 0.000 0.000 -2.302) 2.302 2.657 ( 0.000 0.000 -5.922) 5.922 2.820 ( 0.000 0.000 -1.155) 1.155 2.830 ( 0.000 0.000 -4.564) 4.564 2.886 ( 0.000 0.000 10.789) 10.789 2.934 ( 0.000 0.000 -1.747) 1.747 2.964 ( 0.000 0.000 0.356) 0.356 3.006 ( 0.000 0.000 0.237) 0.237 3.092 ( 0.000 0.000 -7.938) 7.938 3.137 ( 0.000 0.000 -10.495) 10.495 3.156 ( 0.000 0.000 11.494) 11.494 3.232 ( 0.000 0.000 -0.560) 0.560 3.243 ( 0.000 0.000 -1.180) 1.180 3.310 ( 0.000 0.000 -2.416) 2.416 3.517 ( 0.000 0.000 -2.720) 2.720 3.534 ( 0.000 0.000 1.115) 1.115 3.598 ( 0.000 0.000 0.888) 0.888 3.669 ( 0.000 0.000 3.839) 3.839 3.674 ( 0.000 0.000 -1.621) 1.621 3.699 ( 0.000 0.000 -4.351) 4.351 3.863 ( 0.000 0.000 6.646) 6.646 3.908 ( 0.000 0.000 3.918) 3.918 4.006 ( 0.000 0.000 -4.390) 4.390 4.042 ( 0.000 0.000 -7.806) 7.806 4.095 ( 0.000 0.000 9.287) 9.287 4.146 ( 0.000 0.000 -0.132) 0.132 4.321 ( 0.000 0.000 6.850) 6.850 4.519 ( 0.000 0.000 -8.476) 8.476 4.579 ( 0.000 0.000 5.447) 5.447 4.610 ( 0.000 0.000 2.951) 2.951 5.123 ( 0.000 0.000 6.968) 6.968 5.226 ( 0.000 0.000 2.580) 2.580 5.266 ( 0.000 0.000 -0.811) 0.811 5.277 ( 0.000 0.000 8.665) 8.665 5.295 ( 0.000 0.000 0.420) 0.420 5.299 ( 0.000 0.000 -9.817) 9.817 5.327 ( 0.000 0.000 -1.825) 1.825 5.510 ( 0.000 0.000 -13.118) 13.118 5.524 ( 0.000 0.000 9.399) 9.399 5.661 ( 0.000 0.000 -1.990) 1.990 5.742 ( 0.000 0.000 1.199) 1.199 5.808 ( 0.000 0.000 -8.174) 8.174 5.905 ( 0.000 0.000 1.702) 1.702 5.915 ( 0.000 0.000 3.256) 3.256 6.036 ( 0.000 0.000 6.321) 6.321 6.164 ( 0.000 0.000 15.717) 15.717 6.188 ( 0.000 0.000 -7.715) 7.715 6.193 ( 0.000 0.000 10.257) 10.257 6.390 ( 0.000 0.000 -9.972) 9.972 6.452 ( 0.000 0.000 10.927) 10.927 6.479 ( 0.000 0.000 -13.367) 13.367 6.540 ( 0.000 0.000 2.053) 2.053 6.627 ( 0.000 0.000 5.645) 5.645 6.638 ( 0.000 0.000 5.796) 5.796 6.957 ( 0.000 0.000 3.086) 3.086 7.085 ( 0.000 0.000 -8.016) 8.016 7.182 ( 0.000 0.000 2.446) 2.446 7.261 ( 0.000 0.000 -6.246) 6.246 7.393 ( 0.000 0.000 9.016) 9.016 7.414 ( 0.000 0.000 8.070) 8.070 7.572 ( 0.000 0.000 -9.081) 9.081 7.611 ( 0.000 0.000 -11.511) 11.511 8.280 ( 0.000 0.000 -2.271) 2.271 8.285 ( 0.000 0.000 -2.872) 2.872 9.023 ( 0.000 0.000 -0.588) 0.588 9.026 ( 0.000 0.000 -1.072) 1.072 9.362 ( 0.000 0.000 2.635) 2.635 9.438 ( 0.000 0.000 -5.002) 5.002 9.496 ( 0.000 0.000 4.063) 4.063 9.497 ( 0.000 0.000 1.941) 1.941 9.562 ( 0.000 0.000 -2.672) 2.672 9.577 ( 0.000 0.000 -2.692) 2.692 9.713 ( 0.000 0.000 -0.172) 0.172 9.715 ( 0.000 0.000 -0.183) 0.183 9.745 ( 0.000 0.000 2.587) 2.587 9.755 ( 0.000 0.000 1.732) 1.732 9.782 ( 0.000 0.000 -0.616) 0.616 9.807 ( 0.000 0.000 -3.151) 3.151 10.384 ( 0.000 0.000 8.793) 8.793 10.429 ( 0.000 0.000 3.834) 3.834 10.437 ( 0.000 0.000 2.833) 2.833 10.466 ( 0.000 0.000 0.541) 0.541 10.672 ( 0.000 0.000 2.252) 2.252 10.675 ( 0.000 0.000 9.293) 9.293 10.684 ( 0.000 0.000 0.970) 0.970 10.778 ( 0.000 0.000 0.255) 0.255 10.892 ( 0.000 0.000 0.811) 0.811 10.950 ( 0.000 0.000 -3.832) 3.832 11.058 ( 0.000 0.000 3.239) 3.239 11.072 ( 0.000 0.000 1.636) 1.636 11.172 ( 0.000 0.000 2.727) 2.727 11.188 ( 0.000 0.000 1.154) 1.154 11.212 ( 0.000 0.000 6.361) 6.361 11.234 ( 0.000 0.000 4.226) 4.226 11.415 ( 0.000 0.000 17.720) 17.720 11.484 ( 0.000 0.000 5.555) 5.555 11.495 ( 0.000 0.000 4.318) 4.318 11.566 ( 0.000 0.000 -1.129) 1.129 11.693 ( 0.000 0.000 11.616) 11.616 11.876 ( 0.000 0.000 -7.164) 7.164 12.181 ( 0.000 0.000 13.262) 13.262 12.248 ( 0.000 0.000 14.007) 14.007 12.258 ( 0.000 0.000 9.614) 9.614 12.277 ( 0.000 0.000 12.725) 12.725 12.490 ( 0.000 0.000 -15.815) 15.815 12.554 ( 0.000 0.000 -18.667) 18.667 12.601 ( 0.000 0.000 -12.546) 12.546 12.618 ( 0.000 0.000 -12.527) 12.527 13.086 ( 0.000 0.000 15.949) 15.949 13.151 ( 0.000 0.000 14.115) 14.115 13.192 ( 0.000 0.000 -0.149) 0.149 13.196 ( 0.000 0.000 -0.484) 0.484 13.420 ( 0.000 0.000 -16.979) 16.979 13.439 ( 0.000 0.000 -14.214) 14.214 14.932 ( 0.000 0.000 -3.392) 3.392 14.939 ( 0.000 0.000 -4.122) 4.122 15.130 ( 0.000 0.000 0.385) 0.385 15.161 ( 0.000 0.000 -3.462) 3.462 15.494 ( 0.000 0.000 5.856) 5.856 15.585 ( 0.000 0.000 -4.558) 4.558 15.652 ( 0.000 0.000 -1.432) 1.432 15.662 ( 0.000 0.000 -2.429) 2.429 15.806 ( 0.000 0.000 17.043) 17.043 15.972 ( 0.000 0.000 4.001) 4.001 16.014 ( 0.000 0.000 -0.549) 0.549 16.058 ( 0.000 0.000 -3.134) 3.134 16.375 ( 0.000 0.000 -7.316) 7.316 16.432 ( 0.000 0.000 -9.837) 9.837 16.483 ( 0.000 0.000 -5.779) 5.779 16.489 ( 0.000 0.000 -7.253) 7.253 19.594 ( 0.000 0.000 8.418) 8.418 19.658 ( 0.000 0.000 6.650) 6.650 19.772 ( 0.000 0.000 -9.619) 9.619 19.802 ( 0.000 0.000 -7.993) 7.993 19.804 ( 0.000 0.000 2.995) 2.995 19.812 ( 0.000 0.000 3.025) 3.025 19.866 ( 0.000 0.000 -3.302) 3.302 19.874 ( 0.000 0.000 -3.383) 3.383 20.855 ( 0.000 0.000 7.510) 7.510 20.940 ( 0.000 0.000 -0.638) 0.638 21.085 ( 0.000 0.000 -0.716) 0.716 21.088 ( 0.000 0.000 -1.524) 1.524 21.408 ( 0.000 0.000 3.314) 3.314 21.472 ( 0.000 0.000 -3.102) 3.102 21.493 ( 0.000 0.000 3.140) 3.140 21.558 ( 0.000 0.000 -3.618) 3.618 ======================= Grid point 85 (34/40) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -0.252 0.000 8.314) 8.318 1.930 ( -1.464 0.000 7.522) 7.663 1.983 ( 0.762 0.000 20.690) 20.704 2.019 ( -1.828 0.000 20.327) 20.409 2.051 ( 5.589 0.000 8.658) 10.305 2.172 ( -6.890 0.000 9.485) 11.724 2.357 ( 3.307 0.000 -16.920) 17.241 2.364 ( 2.805 0.000 -11.745) 12.075 2.413 ( -2.237 0.000 -19.759) 19.885 2.420 ( -2.711 0.000 -9.748) 10.118 2.554 ( 6.060 0.000 5.294) 8.047 2.642 ( -2.454 0.000 -0.539) 2.513 2.809 ( -0.305 0.000 -3.514) 3.528 2.820 ( -1.116 0.000 -4.622) 4.755 2.914 ( 3.790 0.000 12.215) 12.789 2.989 ( 4.251 0.000 -0.672) 4.304 2.995 ( -0.647 0.000 6.263) 6.296 3.029 ( 2.238 0.000 -0.642) 2.328 3.047 ( -3.953 0.000 2.629) 4.747 3.072 ( -1.993 0.000 -4.581) 4.996 3.245 ( 1.022 0.000 -2.126) 2.359 3.252 ( 0.416 0.000 -2.323) 2.360 3.274 ( 8.217 0.000 -1.045) 8.283 3.361 ( 6.357 0.000 -5.910) 8.679 3.461 ( -10.494 0.000 1.611) 10.617 3.500 ( -3.736 0.000 -4.198) 5.620 3.537 ( 0.823 0.000 -0.892) 1.214 3.604 ( -6.590 0.000 -2.412) 7.017 3.672 ( 0.080 0.000 -2.182) 2.184 3.685 ( -1.119 0.000 -3.602) 3.772 3.876 ( -0.995 0.000 11.159) 11.203 3.883 ( -0.023 0.000 8.627) 8.627 3.959 ( -1.532 0.000 2.308) 2.770 3.985 ( -2.752 0.000 -3.157) 4.188 4.135 ( 3.182 0.000 -1.647) 3.583 4.171 ( -0.255 0.000 -3.420) 3.430 4.415 ( 6.883 0.000 3.697) 7.813 4.505 ( -2.332 0.000 -3.336) 4.070 4.586 ( 0.748 0.000 4.839) 4.896 4.602 ( -0.784 0.000 3.590) 3.674 5.154 ( 3.313 0.000 6.869) 7.626 5.232 ( -4.199 0.000 6.984) 8.149 5.234 ( 0.821 0.000 2.122) 2.275 5.253 ( -1.091 0.000 0.744) 1.321 5.307 ( 0.927 0.000 -0.804) 1.227 5.322 ( -0.581 0.000 -1.630) 1.730 5.326 ( 3.189 0.000 -8.021) 8.632 5.413 ( -5.668 0.000 -6.300) 8.475 5.610 ( 5.022 0.000 1.769) 5.324 5.685 ( -0.888 0.000 2.571) 2.720 5.732 ( 1.169 0.000 -5.797) 5.914 5.783 ( -2.506 0.000 -6.854) 7.298 5.906 ( 0.278 0.000 1.470) 1.496 5.914 ( -0.359 0.000 1.670) 1.709 6.078 ( 4.190 0.000 4.408) 6.082 6.159 ( -3.380 0.000 -2.728) 4.343 6.166 ( 0.311 0.000 15.246) 15.249 6.179 ( -1.043 0.000 13.128) 13.169 6.420 ( 2.533 0.000 -11.263) 11.544 6.456 ( 1.226 0.000 7.089) 7.194 6.463 ( -1.743 0.000 -12.838) 12.956 6.504 ( -3.306 0.000 2.406) 4.089 6.633 ( 1.448 0.000 7.441) 7.581 6.652 ( -0.072 0.000 6.735) 6.735 6.998 ( 3.720 0.000 0.703) 3.786 7.064 ( -2.647 0.000 -4.141) 4.915 7.196 ( 1.883 0.000 -1.507) 2.412 7.240 ( -2.149 0.000 -5.481) 5.887 7.399 ( 0.519 0.000 8.791) 8.806 7.409 ( -0.467 0.000 8.322) 8.335 7.582 ( 0.953 0.000 -9.641) 9.688 7.602 ( -0.931 0.000 -10.851) 10.891 8.281 ( 0.087 0.000 -2.440) 2.442 8.283 ( -0.170 0.000 -2.746) 2.751 9.087 ( 6.217 0.000 0.302) 6.225 9.101 ( 6.290 0.000 -1.145) 6.393 9.339 ( -9.216 0.000 1.054) 9.276 9.362 ( -10.266 0.000 -1.293) 10.347 9.379 ( 1.717 0.000 0.976) 1.975 9.417 ( -1.960 0.000 -2.755) 3.381 9.573 ( 2.381 0.000 2.395) 3.377 9.613 ( -1.469 0.000 -1.910) 2.409 9.716 ( 0.330 0.000 -0.332) 0.468 9.719 ( 0.140 0.000 -0.547) 0.564 9.786 ( 0.529 0.000 -1.280) 1.385 9.798 ( 3.284 0.000 3.456) 4.768 9.800 ( -0.750 0.000 -2.681) 2.784 9.811 ( 2.974 0.000 2.438) 3.846 10.421 ( 4.368 0.000 7.381) 8.577 10.433 ( 0.327 0.000 3.662) 3.677 10.437 ( -0.054 0.000 3.162) 3.163 10.502 ( 1.781 0.000 2.727) 3.257 10.557 ( -4.938 0.000 1.620) 5.197 10.658 ( -10.167 0.000 -5.026) 11.342 10.674 ( 0.248 0.000 1.930) 1.946 10.680 ( -0.348 0.000 1.280) 1.326 10.986 ( 10.486 0.000 11.070) 15.247 11.066 ( 0.655 0.000 2.741) 2.818 11.073 ( -0.027 0.000 1.949) 1.949 11.104 ( 4.529 0.000 4.467) 6.362 11.167 ( -0.216 0.000 2.447) 2.457 11.172 ( -1.809 0.000 6.360) 6.612 11.175 ( -0.966 0.000 1.675) 1.934 11.231 ( -2.379 0.000 3.062) 3.878 11.454 ( 5.087 0.000 12.184) 13.203 11.490 ( 0.440 0.000 5.185) 5.204 11.495 ( -0.068 0.000 4.590) 4.590 11.548 ( -2.866 0.000 2.718) 3.950 11.686 ( 1.202 0.000 3.301) 3.513 11.782 ( -7.795 0.000 -5.794) 9.712 12.208 ( 2.313 0.000 12.592) 12.803 12.246 ( -1.411 0.000 10.619) 10.713 12.256 ( 0.766 0.000 13.707) 13.729 12.271 ( -0.680 0.000 13.071) 13.088 12.520 ( 2.351 0.000 -15.637) 15.812 12.550 ( -0.693 0.000 -17.169) 17.183 12.605 ( 0.386 0.000 -12.575) 12.580 12.613 ( -0.460 0.000 -12.561) 12.569 13.102 ( 1.660 0.000 15.307) 15.397 13.136 ( -1.544 0.000 14.404) 14.487 13.193 ( 0.090 0.000 -0.237) 0.253 13.195 ( -0.077 0.000 -0.404) 0.411 13.422 ( 0.284 0.000 -16.366) 16.368 13.432 ( -0.655 0.000 -14.945) 14.959 14.933 ( 0.166 0.000 -3.571) 3.575 14.937 ( -0.180 0.000 -3.935) 3.939 15.139 ( 0.801 0.000 -0.546) 0.969 15.154 ( -0.722 0.000 -2.463) 2.567 15.507 ( 1.435 0.000 4.193) 4.432 15.548 ( -2.825 0.000 -0.067) 2.826 15.654 ( 0.250 0.000 -1.686) 1.704 15.659 ( -0.230 0.000 -2.184) 2.196 15.859 ( 4.433 0.000 11.859) 12.660 15.935 ( -3.308 0.000 6.148) 6.982 16.033 ( 1.301 0.000 -0.752) 1.503 16.052 ( -0.676 0.000 -2.212) 2.313 16.388 ( 1.369 0.000 -8.072) 8.187 16.417 ( -1.438 0.000 -9.294) 9.404 16.481 ( -0.009 0.000 -6.380) 6.380 16.485 ( -0.365 0.000 -7.035) 7.045 19.610 ( 1.554 0.000 7.975) 8.125 19.642 ( -1.577 0.000 7.082) 7.255 19.780 ( 0.776 0.000 -9.215) 9.248 19.795 ( -0.682 0.000 -8.416) 8.443 19.806 ( 0.190 0.000 3.002) 3.008 19.810 ( -0.191 0.000 3.017) 3.023 19.868 ( 0.217 0.000 -3.322) 3.329 19.872 ( -0.216 0.000 -3.362) 3.369 20.877 ( 2.135 0.000 5.798) 6.178 20.920 ( -2.006 0.000 1.755) 2.666 21.083 ( -0.056 0.000 -1.161) 1.163 21.085 ( -0.229 0.000 -1.678) 1.694 21.419 ( 1.100 0.000 3.104) 3.293 21.446 ( -1.680 0.000 1.618) 2.333 21.519 ( 1.735 0.000 -1.637) 2.385 21.547 ( -1.158 0.000 -3.295) 3.493 ======================= Grid point 87 (35/40) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.000 -0.663 7.814) 7.843 1.958 ( 0.000 0.981 9.647) 9.697 2.000 ( 0.000 -0.077 15.069) 15.069 2.019 ( 0.000 1.357 11.341) 11.422 2.073 ( 0.000 6.102 14.129) 15.391 2.211 ( 0.000 -1.102 -4.056) 4.203 2.372 ( 0.000 3.890 -11.388) 12.034 2.389 ( 0.000 -1.953 -15.244) 15.369 2.478 ( 0.000 8.478 2.259) 8.774 2.515 ( 0.000 4.942 4.804) 6.892 2.551 ( 0.000 4.099 -2.690) 4.903 2.730 ( 0.000 3.869 -9.770) 10.508 2.860 ( 0.000 4.274 0.974) 4.384 2.905 ( 0.000 -5.308 2.814) 6.008 2.922 ( 0.000 9.344 0.409) 9.353 2.967 ( 0.000 0.942 -1.127) 1.469 2.975 ( 0.000 5.262 -2.161) 5.688 2.981 ( 0.000 7.655 5.273) 9.295 3.036 ( 0.000 -2.235 -9.117) 9.387 3.127 ( 0.000 -1.860 -4.397) 4.774 3.180 ( 0.000 4.387 8.299) 9.387 3.220 ( 0.000 1.131 0.758) 1.361 3.306 ( 0.000 6.585 -1.066) 6.671 3.348 ( 0.000 4.556 -6.624) 8.040 3.495 ( 0.000 -5.168 1.208) 5.307 3.615 ( 0.000 6.768 3.390) 7.570 3.622 ( 0.000 2.499 -6.274) 6.753 3.671 ( 0.000 6.504 -1.569) 6.691 3.771 ( 0.000 4.364 1.754) 4.703 3.793 ( 0.000 6.436 -1.717) 6.661 3.868 ( 0.000 0.314 7.030) 7.037 3.915 ( 0.000 0.646 1.845) 1.955 4.006 ( 0.000 -0.046 -3.820) 3.820 4.025 ( 0.000 -2.545 -4.289) 4.987 4.097 ( 0.000 -3.768 2.488) 4.515 4.102 ( 0.000 1.836 3.908) 4.318 4.329 ( 0.000 2.149 8.471) 8.739 4.522 ( 0.000 0.695 -7.271) 7.304 4.670 ( 0.000 8.091 3.185) 8.695 4.670 ( 0.000 5.351 3.570) 6.432 5.106 ( 0.000 -2.435 5.028) 5.587 5.138 ( 0.000 -4.210 8.438) 9.430 5.211 ( 0.000 -4.191 -2.460) 4.859 5.251 ( 0.000 -3.795 1.328) 4.020 5.262 ( 0.000 -4.543 -4.717) 6.549 5.330 ( 0.000 0.006 -6.222) 6.222 5.352 ( 0.000 3.557 2.119) 4.140 5.504 ( 0.000 -0.819 -11.220) 11.249 5.558 ( 0.000 2.845 10.430) 10.812 5.683 ( 0.000 1.212 1.795) 2.166 5.718 ( 0.000 -3.321 0.762) 3.407 5.777 ( 0.000 -3.194 -6.315) 7.077 5.872 ( 0.000 -4.368 -0.536) 4.400 5.877 ( 0.000 -2.064 0.659) 2.166 5.957 ( 0.000 -6.337 9.079) 11.072 6.139 ( 0.000 -5.029 -8.970) 10.284 6.186 ( 0.000 0.817 6.595) 6.646 6.222 ( 0.000 3.022 11.656) 12.041 6.327 ( 0.000 -5.238 -5.232) 7.404 6.422 ( 0.000 -4.915 -5.736) 7.554 6.433 ( 0.000 -1.622 11.413) 11.528 6.550 ( 0.000 0.444 -2.052) 2.099 6.610 ( 0.000 -1.383 6.334) 6.483 6.673 ( 0.000 2.587 0.487) 2.633 6.949 ( 0.000 -0.667 2.905) 2.980 7.060 ( 0.000 -2.231 -5.727) 6.146 7.163 ( 0.000 -1.795 2.930) 3.436 7.225 ( 0.000 -3.156 -2.856) 4.257 7.430 ( 0.000 3.205 6.181) 6.962 7.460 ( 0.000 4.503 5.598) 7.184 7.589 ( 0.000 1.342 -9.120) 9.219 7.634 ( 0.000 2.019 -10.735) 10.923 8.364 ( 0.000 7.390 -2.174) 7.703 8.364 ( 0.000 7.904 -2.167) 8.195 9.023 ( 0.000 -0.365 -0.689) 0.780 9.032 ( 0.000 0.783 -1.375) 1.582 9.352 ( 0.000 -0.896 3.442) 3.557 9.422 ( 0.000 -1.398 -3.249) 3.537 9.478 ( 0.000 -1.577 0.609) 1.691 9.493 ( 0.000 -0.204 2.175) 2.185 9.527 ( 0.000 -2.239 -1.287) 2.583 9.558 ( 0.000 -1.024 -1.805) 2.076 9.701 ( 0.000 0.282 0.870) 0.915 9.711 ( 0.000 0.995 -0.603) 1.163 9.816 ( 0.000 4.083 0.703) 4.143 9.834 ( 0.000 2.770 -1.479) 3.140 9.884 ( 0.000 10.879 1.823) 11.030 9.913 ( 0.000 11.891 -1.226) 11.954 10.366 ( 0.000 -0.842 7.681) 7.727 10.425 ( 0.000 -0.220 3.894) 3.901 10.451 ( 0.000 1.754 1.962) 2.632 10.477 ( 0.000 0.004 -2.314) 2.314 10.680 ( 0.000 2.167 3.891) 4.453 10.693 ( 0.000 2.127 2.073) 2.970 10.773 ( 0.000 6.717 8.130) 10.546 10.815 ( 0.000 1.933 5.335) 5.675 10.905 ( 0.000 1.350 -0.756) 1.547 10.930 ( 0.000 -2.342 -2.382) 3.340 11.020 ( 0.000 -4.570 3.211) 5.586 11.036 ( 0.000 -0.578 1.713) 1.808 11.128 ( 0.000 -2.289 3.342) 4.051 11.154 ( 0.000 -0.896 1.598) 1.832 11.261 ( 0.000 2.634 6.699) 7.199 11.297 ( 0.000 3.772 2.820) 4.710 11.394 ( 0.000 -2.571 12.932) 13.185 11.440 ( 0.000 -3.236 3.804) 4.994 11.497 ( 0.000 2.758 5.377) 6.043 11.570 ( 0.000 0.217 -1.120) 1.140 11.784 ( 0.000 6.257 10.887) 12.557 11.938 ( 0.000 3.698 -3.091) 4.820 12.055 ( 0.000 -5.182 11.181) 12.323 12.177 ( 0.000 -2.842 9.418) 9.837 12.333 ( 0.000 -3.952 -10.097) 10.843 12.403 ( 0.000 3.362 -2.261) 4.052 12.450 ( 0.000 4.933 10.399) 11.510 12.471 ( 0.000 2.390 4.116) 4.760 12.765 ( 0.000 10.044 -17.255) 19.965 12.770 ( 0.000 13.208 -15.404) 20.292 13.076 ( 0.000 -1.160 12.908) 12.960 13.112 ( 0.000 -4.329 3.896) 5.824 13.159 ( 0.000 -2.828 1.239) 3.087 13.179 ( 0.000 -0.593 9.053) 9.072 13.446 ( 0.000 2.225 -16.687) 16.834 13.465 ( 0.000 2.239 -14.124) 14.301 14.893 ( 0.000 -4.247 -0.333) 4.260 14.905 ( 0.000 -3.949 -0.804) 4.031 15.045 ( 0.000 -7.735 -3.686) 8.569 15.078 ( 0.000 -7.919 -6.925) 10.520 15.495 ( 0.000 0.091 5.639) 5.640 15.538 ( 0.000 -2.463 -0.132) 2.467 15.612 ( 0.000 -4.020 1.386) 4.252 15.659 ( 0.000 -1.139 -4.057) 4.214 15.820 ( 0.000 0.492 17.317) 17.324 16.025 ( 0.000 4.281 3.620) 5.606 16.040 ( 0.000 0.284 5.835) 5.842 16.102 ( 0.000 5.461 -5.609) 7.828 16.318 ( 0.000 -6.552 -7.071) 9.640 16.391 ( 0.000 -6.761 -9.332) 11.524 16.396 ( 0.000 -7.408 -10.217) 12.619 16.421 ( 0.000 -2.481 -10.654) 10.939 19.590 ( 0.000 -0.323 7.829) 7.836 19.648 ( 0.000 -0.972 6.191) 6.266 19.736 ( 0.000 -2.617 -4.730) 5.405 19.754 ( 0.000 -2.998 -2.163) 3.697 19.829 ( 0.000 1.370 -1.426) 1.978 19.844 ( 0.000 1.414 -1.936) 2.398 19.870 ( 0.000 0.317 -3.399) 3.414 19.880 ( 0.000 0.495 -3.241) 3.279 20.838 ( 0.000 -1.734 6.597) 6.821 20.911 ( 0.000 -2.870 -0.364) 2.893 21.051 ( 0.000 -3.880 -1.016) 4.011 21.053 ( 0.000 -3.499 -0.799) 3.589 21.405 ( 0.000 -0.240 2.888) 2.898 21.459 ( 0.000 -2.719 3.242) 4.231 21.463 ( 0.000 -0.797 -2.996) 3.100 21.524 ( 0.000 -3.019 -3.419) 4.561 ======================= Grid point 88 (36/40) ======================= q-point: ( 0.33 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.418 -0.522 12.520) 12.538 1.948 ( -2.415 1.887 9.944) 10.406 1.980 ( 0.264 0.244 11.540) 11.545 1.998 ( -0.648 0.916 13.220) 13.267 2.151 ( 5.373 6.843 11.136) 14.131 2.227 ( -0.739 2.004 0.408) 2.174 2.345 ( -0.454 0.702 -9.156) 9.194 2.396 ( -2.137 0.085 -13.042) 13.216 2.411 ( -0.468 2.798 -11.068) 11.425 2.473 ( -4.506 3.066 -6.127) 8.200 2.617 ( 6.292 2.691 5.796) 8.967 2.728 ( -3.552 3.368 -1.562) 5.138 2.830 ( 0.488 2.529 -1.957) 3.234 2.891 ( -4.287 6.107 -4.481) 8.704 2.935 ( 2.118 2.818 3.652) 5.076 2.958 ( 0.881 5.452 5.458) 7.765 3.011 ( 3.163 -0.552 3.292) 4.598 3.046 ( 3.973 5.754 0.075) 6.993 3.097 ( 3.510 6.669 -4.621) 8.840 3.111 ( -0.786 1.873 -0.474) 2.086 3.224 ( 3.155 -0.339 2.336) 3.940 3.273 ( 3.093 3.094 -1.150) 4.523 3.293 ( -0.033 3.289 2.286) 4.005 3.367 ( 0.121 0.209 -4.226) 4.233 3.446 ( -1.600 1.122 -4.812) 5.193 3.544 ( -7.042 1.983 -8.093) 10.910 3.612 ( 0.281 4.926 0.908) 5.016 3.658 ( -2.600 5.839 -3.342) 7.212 3.731 ( -0.828 4.726 0.701) 4.849 3.765 ( -3.380 6.986 -1.171) 7.849 3.878 ( 1.088 -0.443 7.903) 7.990 3.911 ( -1.495 2.421 6.187) 6.810 3.949 ( -2.332 -1.455 2.286) 3.575 3.965 ( -2.051 -1.103 -0.674) 2.425 4.112 ( 3.406 -1.726 -1.112) 3.977 4.155 ( -0.535 -1.193 -2.741) 3.037 4.405 ( 6.021 0.995 4.371) 7.506 4.495 ( -3.135 0.481 -2.960) 4.338 4.674 ( 0.891 6.686 4.548) 8.135 4.685 ( 0.240 7.090 3.989) 8.139 5.126 ( 1.445 -3.049 5.330) 6.308 5.136 ( 0.065 -4.440 6.902) 8.207 5.219 ( 1.188 -3.112 -1.321) 3.583 5.252 ( -1.207 -4.195 -2.422) 4.992 5.265 ( 1.260 -3.198 -0.518) 3.476 5.308 ( -3.245 1.032 0.303) 3.419 5.354 ( 2.493 1.116 -5.253) 5.920 5.430 ( -5.125 0.848 -6.520) 8.337 5.614 ( 4.081 0.165 3.925) 5.665 5.682 ( -2.268 -1.219 3.101) 4.031 5.733 ( 2.204 -0.048 -3.029) 3.747 5.765 ( -1.082 -1.997 -4.150) 4.731 5.860 ( 0.076 -4.461 -0.052) 4.462 5.876 ( -1.148 -3.515 -0.851) 3.795 6.008 ( 5.084 -5.653 6.746) 10.164 6.103 ( -3.991 -4.955 -1.283) 6.490 6.194 ( 0.899 1.477 7.411) 7.610 6.213 ( -0.939 2.625 10.568) 10.929 6.358 ( 2.599 -4.932 -5.511) 7.840 6.397 ( -1.430 -4.696 -2.735) 5.620 6.452 ( 1.340 -1.240 2.931) 3.453 6.503 ( -3.729 -0.557 0.264) 3.779 6.635 ( 2.105 -0.025 5.213) 5.622 6.667 ( -0.997 1.273 3.208) 3.592 6.990 ( 3.664 -0.671 0.710) 3.792 7.050 ( -1.928 -1.229 -3.583) 4.250 7.166 ( 1.200 -2.753 0.877) 3.128 7.205 ( -2.110 -3.183 -2.355) 4.487 7.438 ( 0.749 3.493 6.001) 6.984 7.453 ( -0.720 4.155 5.737) 7.120 7.601 ( 1.111 1.496 -9.539) 9.719 7.623 ( -1.082 1.850 -10.347) 10.566 8.368 ( 0.301 8.209 -2.056) 8.468 8.369 ( 0.235 8.240 -2.177) 8.526 9.067 ( 3.998 -2.229 0.011) 4.577 9.080 ( 3.687 -2.096 -1.188) 4.404 9.343 ( -6.191 0.496 0.788) 6.261 9.359 ( -7.318 -0.021 -1.131) 7.405 9.369 ( 0.767 -0.867 1.352) 1.780 9.406 ( -2.695 -0.745 -2.317) 3.632 9.579 ( 3.676 0.738 2.155) 4.324 9.618 ( 0.319 0.762 -1.859) 2.034 9.715 ( 0.865 -2.422 0.743) 2.677 9.724 ( 0.132 -1.275 -0.555) 1.397 9.822 ( 0.636 7.721 0.661) 7.775 9.833 ( -0.088 8.847 -0.367) 8.855 9.907 ( 1.591 5.997 1.289) 6.337 9.915 ( 0.277 8.019 0.143) 8.026 10.373 ( 1.426 -1.809 4.624) 5.166 10.417 ( -2.072 -1.226 1.479) 2.826 10.480 ( 3.005 1.905 2.955) 4.625 10.501 ( 2.559 -0.248 0.179) 2.577 10.622 ( -3.748 5.239 5.554) 8.505 10.677 ( -6.227 3.129 0.924) 7.030 10.711 ( 0.773 3.242 1.890) 3.831 10.739 ( -4.145 4.493 -0.712) 6.154 10.961 ( 6.297 -2.272 8.502) 10.821 11.014 ( -0.554 -4.115 3.500) 5.431 11.042 ( 1.780 -3.157 2.490) 4.398 11.058 ( 1.999 -5.610 1.235) 6.082 11.150 ( 1.262 0.666 3.893) 4.146 11.159 ( 1.377 3.159 5.794) 6.741 11.249 ( -0.343 3.442 5.245) 6.283 11.285 ( -2.156 3.494 2.460) 4.786 11.403 ( 1.081 -3.212 9.752) 10.324 11.424 ( -1.061 -3.987 5.433) 6.822 11.527 ( 2.791 2.708 3.388) 5.158 11.569 ( -0.802 1.197 -0.079) 1.443 11.778 ( 0.956 6.455 5.232) 8.364 11.857 ( -6.559 5.288 -2.412) 8.763 12.091 ( 3.306 -5.305 12.122) 13.639 12.152 ( -2.707 -3.895 10.821) 11.814 12.352 ( 1.722 -1.929 -8.104) 8.506 12.385 ( -1.620 1.246 -4.595) 5.029 12.465 ( 1.098 4.389 8.774) 9.872 12.475 ( 0.088 3.148 5.937) 6.721 12.768 ( 0.368 11.118 -15.809) 19.331 12.773 ( 0.011 12.019 -15.417) 19.549 13.088 ( 1.143 -1.848 9.891) 10.127 13.107 ( -0.657 -3.428 5.346) 6.385 13.161 ( 0.363 -2.384 3.332) 4.113 13.172 ( -0.657 -1.090 7.531) 7.638 13.448 ( 0.303 2.259 -16.092) 16.252 13.458 ( -0.621 2.259 -14.778) 14.963 14.896 ( 0.286 -4.169 -0.459) 4.204 14.902 ( -0.302 -4.019 -0.698) 4.090 15.053 ( 0.820 -7.813 -4.450) 9.029 15.070 ( -0.817 -7.904 -6.067) 9.998 15.506 ( 1.071 -0.124 4.499) 4.627 15.528 ( -1.057 -1.395 1.597) 2.369 15.614 ( 0.392 -3.521 0.575) 3.589 15.633 ( -1.662 -1.999 -1.227) 2.874 15.877 ( 4.868 0.255 12.956) 13.842 15.967 ( -4.296 0.980 8.388) 9.475 16.075 ( 1.741 3.728 1.290) 4.312 16.098 ( -0.643 5.085 -3.055) 5.967 16.330 ( 1.331 -6.896 -8.206) 10.802 16.363 ( -1.934 -7.304 -9.416) 12.073 16.409 ( 0.542 -5.534 -10.208) 11.624 16.417 ( -0.352 -3.455 -10.561) 11.117 19.604 ( 1.373 -0.500 7.432) 7.575 19.633 ( -1.422 -0.828 6.605) 6.807 19.741 ( 0.503 -2.712 -4.101) 4.942 19.750 ( -0.363 -2.902 -2.820) 4.062 19.832 ( 0.361 1.384 -1.554) 2.112 19.840 ( -0.401 1.405 -1.813) 2.328 19.872 ( 0.243 0.361 -3.358) 3.386 19.877 ( -0.247 0.450 -3.283) 3.323 20.858 ( 1.897 -1.954 5.121) 5.800 20.895 ( -1.674 -2.519 1.653) 3.447 21.049 ( -0.117 -3.754 -1.056) 3.902 21.050 ( -0.207 -3.679 -1.224) 3.883 21.413 ( 0.820 -0.509 2.863) 3.021 21.433 ( -1.356 -1.153 2.254) 2.872 21.490 ( 1.509 -2.301 -2.194) 3.519 21.514 ( -0.979 -2.818 -3.190) 4.368 ======================= Grid point 90 (37/40) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.000 1.297 8.225) 8.326 1.969 ( 0.000 0.113 11.962) 11.962 2.008 ( 0.000 1.047 4.618) 4.736 2.023 ( 0.000 -0.745 6.596) 6.638 2.186 ( 0.000 4.728 11.250) 12.204 2.214 ( 0.000 0.763 -2.254) 2.379 2.336 ( 0.000 -3.910 -8.757) 9.590 2.425 ( 0.000 0.639 -11.332) 11.350 2.552 ( 0.000 -0.058 4.084) 4.084 2.559 ( 0.000 0.650 5.325) 5.364 2.641 ( 0.000 4.510 2.530) 5.171 2.766 ( 0.000 0.809 -8.315) 8.354 2.794 ( 0.000 -4.736 -0.803) 4.803 2.877 ( 0.000 -3.086 -4.762) 5.674 2.947 ( 0.000 -0.018 1.354) 1.354 3.019 ( 0.000 -1.098 -5.017) 5.136 3.118 ( 0.000 4.501 5.320) 6.968 3.126 ( 0.000 7.700 6.159) 9.861 3.209 ( 0.000 12.885 1.217) 12.943 3.261 ( 0.000 17.215 -3.007) 17.476 3.349 ( 0.000 10.469 8.106) 13.240 3.381 ( 0.000 14.996 -0.199) 14.998 3.437 ( 0.000 1.558 5.640) 5.851 3.470 ( 0.000 7.472 -8.062) 10.992 3.502 ( 0.000 13.412 -10.679) 17.144 3.633 ( 0.000 0.702 -6.693) 6.730 3.745 ( 0.000 6.119 4.264) 7.458 3.791 ( 0.000 -1.267 2.176) 2.518 3.812 ( 0.000 4.894 -1.080) 5.012 3.831 ( 0.000 -2.470 -1.586) 2.935 3.907 ( 0.000 3.013 3.294) 4.464 3.928 ( 0.000 -1.048 -0.754) 1.291 3.975 ( 0.000 -1.448 0.545) 1.548 4.019 ( 0.000 2.097 -0.458) 2.147 4.057 ( 0.000 0.387 2.537) 2.566 4.136 ( 0.000 1.166 -1.781) 2.129 4.470 ( 0.000 13.201 6.943) 14.915 4.573 ( 0.000 5.433 -1.907) 5.757 4.760 ( 0.000 2.190 4.823) 5.296 4.816 ( 0.000 4.591 -0.394) 4.608 5.041 ( 0.000 -7.398 4.787) 8.812 5.075 ( 0.000 1.120 5.807) 5.914 5.107 ( 0.000 -7.913 -2.880) 8.421 5.185 ( 0.000 -0.380 -3.620) 3.640 5.185 ( 0.000 -2.425 4.666) 5.259 5.311 ( 0.000 -1.733 -6.098) 6.339 5.393 ( 0.000 0.750 -1.250) 1.458 5.471 ( 0.000 -2.640 -6.798) 7.292 5.576 ( 0.000 -5.921 2.656) 6.489 5.592 ( 0.000 -11.853 -0.241) 11.856 5.621 ( 0.000 -2.006 7.632) 7.891 5.728 ( 0.000 -5.346 8.523) 10.061 5.786 ( 0.000 -0.423 -5.178) 5.195 5.854 ( 0.000 -0.450 -1.505) 1.571 5.860 ( 0.000 -1.905 5.185) 5.524 6.014 ( 0.000 -6.763 -9.548) 11.701 6.199 ( 0.000 -0.696 1.349) 1.518 6.228 ( 0.000 -4.599 -0.504) 4.627 6.254 ( 0.000 -0.107 5.459) 5.460 6.316 ( 0.000 -5.729 0.660) 5.767 6.417 ( 0.000 0.684 9.396) 9.421 6.550 ( 0.000 -0.497 -5.027) 5.052 6.603 ( 0.000 1.514 7.726) 7.873 6.714 ( 0.000 1.410 -1.794) 2.282 6.937 ( 0.000 -0.487 2.919) 2.959 7.013 ( 0.000 -2.529 -2.129) 3.306 7.125 ( 0.000 -1.820 3.725) 4.146 7.160 ( 0.000 -3.170 0.818) 3.274 7.500 ( 0.000 3.739 2.515) 4.506 7.560 ( 0.000 5.295 1.619) 5.537 7.608 ( 0.000 0.359 -7.524) 7.533 7.672 ( 0.000 1.593 -8.583) 8.729 8.521 ( 0.000 7.758 -0.971) 7.818 8.535 ( 0.000 8.446 -2.310) 8.756 9.013 ( 0.000 -0.468 0.845) 0.966 9.045 ( 0.000 0.333 -2.090) 2.116 9.343 ( 0.000 0.325 3.948) 3.961 9.403 ( 0.000 -0.288 -1.117) 1.153 9.442 ( 0.000 -1.960 -0.546) 2.035 9.469 ( 0.000 -1.883 -2.057) 2.789 9.523 ( 0.000 1.434 2.043) 2.496 9.561 ( 0.000 1.411 -1.558) 2.102 9.716 ( 0.000 0.553 0.697) 0.889 9.717 ( 0.000 -1.197 0.190) 1.212 9.885 ( 0.000 2.921 -0.645) 2.991 9.889 ( 0.000 3.300 -0.578) 3.350 10.108 ( 0.000 9.981 5.769) 11.529 10.179 ( 0.000 13.956 -1.696) 14.059 10.382 ( 0.000 2.289 2.172) 3.156 10.394 ( 0.000 -3.577 3.363) 4.909 10.485 ( 0.000 1.744 0.172) 1.753 10.499 ( 0.000 2.631 1.210) 2.896 10.721 ( 0.000 -0.726 3.710) 3.780 10.747 ( 0.000 5.520 1.204) 5.650 10.852 ( 0.000 3.679 7.840) 8.660 10.863 ( 0.000 -0.094 3.802) 3.803 10.881 ( 0.000 -1.318 2.728) 3.030 10.933 ( 0.000 2.444 5.528) 6.044 10.967 ( 0.000 0.853 2.735) 2.865 11.087 ( 0.000 4.921 -2.481) 5.511 11.100 ( 0.000 -0.139 3.195) 3.198 11.145 ( 0.000 -0.586 0.366) 0.691 11.293 ( 0.000 0.562 9.239) 9.256 11.348 ( 0.000 1.032 4.580) 4.694 11.357 ( 0.000 -1.049 7.886) 7.956 11.405 ( 0.000 -0.326 0.117) 0.347 11.558 ( 0.000 -2.385 0.977) 2.578 11.561 ( 0.000 2.720 1.125) 2.944 11.855 ( 0.000 0.920 8.400) 8.451 11.892 ( 0.000 -5.415 12.620) 13.733 12.037 ( 0.000 -1.909 -3.708) 4.171 12.104 ( 0.000 -7.994 3.571) 8.755 12.296 ( 0.000 6.094 -8.830) 10.729 12.394 ( 0.000 4.539 -11.702) 12.551 12.626 ( 0.000 11.056 15.269) 18.851 12.682 ( 0.000 12.783 17.188) 21.420 12.873 ( 0.000 -3.179 -4.636) 5.621 12.961 ( 0.000 -4.383 1.603) 4.667 13.080 ( 0.000 0.244 15.278) 15.280 13.099 ( 0.000 13.494 -17.647) 22.215 13.160 ( 0.000 7.934 -13.950) 16.049 13.162 ( 0.000 -1.645 14.104) 14.200 13.491 ( 0.000 2.241 -17.518) 17.661 13.511 ( 0.000 2.231 -15.083) 15.247 14.763 ( 0.000 -8.648 4.378) 9.693 14.766 ( 0.000 -9.558 4.254) 10.462 14.891 ( 0.000 -8.198 -6.466) 10.441 14.901 ( 0.000 -9.867 -7.945) 12.668 15.489 ( 0.000 -1.372 4.665) 4.862 15.515 ( 0.000 -0.057 0.126) 0.138 15.539 ( 0.000 -2.401 2.170) 3.237 15.602 ( 0.000 -4.325 -4.483) 6.229 15.819 ( 0.000 -0.124 16.706) 16.706 15.972 ( 0.000 -7.631 13.833) 15.799 16.044 ( 0.000 -4.820 7.335) 8.777 16.128 ( 0.000 -9.738 1.989) 9.939 16.229 ( 0.000 6.009 -13.454) 14.735 16.280 ( 0.000 -1.107 -15.243) 15.283 16.318 ( 0.000 -0.601 -16.194) 16.206 16.392 ( 0.000 -0.881 -13.911) 13.939 19.586 ( 0.000 0.051 6.326) 6.327 19.628 ( 0.000 -0.844 5.187) 5.255 19.683 ( 0.000 -2.785 -2.007) 3.433 19.694 ( 0.000 -3.050 -0.066) 3.050 19.848 ( 0.000 0.700 -2.527) 2.623 19.863 ( 0.000 0.678 -2.117) 2.223 19.874 ( 0.000 0.011 -3.664) 3.664 19.888 ( 0.000 0.219 -3.277) 3.284 20.795 ( 0.000 -2.334 4.559) 5.122 20.842 ( 0.000 -3.773 0.184) 3.777 20.944 ( 0.000 -6.732 0.262) 6.737 20.951 ( 0.000 -6.535 -0.207) 6.538 21.405 ( 0.000 0.372 1.753) 1.792 21.421 ( 0.000 -0.899 2.143) 2.324 21.447 ( 0.000 -0.739 -2.494) 2.601 21.468 ( 0.000 -2.338 -2.700) 3.572 ======================= Grid point 91 (38/40) ======================= q-point: ( 0.33 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.761 1.470 11.611) 11.729 1.960 ( -2.306 0.626 12.456) 12.683 2.005 ( 2.012 1.381 3.721) 4.450 2.034 ( -0.433 1.113 6.822) 6.926 2.233 ( 3.326 1.596 4.032) 5.465 2.234 ( 2.070 0.418 0.060) 2.112 2.355 ( 1.549 -1.985 -8.050) 8.434 2.391 ( -1.510 -0.367 -4.125) 4.408 2.460 ( -6.065 2.476 -2.966) 7.191 2.484 ( -6.412 -1.406 -1.243) 6.681 2.624 ( 1.305 -0.847 1.571) 2.211 2.681 ( -4.502 -4.562 -3.075) 7.109 2.892 ( 3.979 3.143 0.410) 5.087 2.933 ( 1.648 0.449 -3.427) 3.829 3.020 ( 2.211 1.077 3.835) 4.556 3.062 ( 3.088 -0.652 0.936) 3.292 3.095 ( 4.735 7.882 7.973) 12.171 3.215 ( 4.820 7.418 -2.810) 9.282 3.263 ( 4.871 12.958 0.928) 13.874 3.296 ( 0.546 11.675 1.076) 11.737 3.329 ( 0.318 8.827 2.973) 9.320 3.353 ( -5.256 8.721 0.911) 10.223 3.420 ( 0.103 12.443 -0.767) 12.467 3.461 ( -0.527 9.398 -5.396) 10.850 3.532 ( 1.703 7.406 -6.969) 10.311 3.565 ( -4.690 0.647 -7.560) 8.920 3.685 ( -3.403 3.165 0.940) 4.741 3.731 ( -5.406 3.200 -2.931) 6.932 3.825 ( 2.506 0.506 3.522) 4.352 3.858 ( 0.183 0.676 6.473) 6.510 3.897 ( -1.306 3.969 -1.913) 4.595 3.914 ( -2.720 0.105 1.584) 3.150 3.943 ( 0.096 0.056 -1.067) 1.073 3.960 ( -2.630 1.263 1.993) 3.533 4.095 ( 3.196 0.029 0.001) 3.196 4.143 ( -1.174 -0.148 -1.998) 2.322 4.513 ( 3.478 10.977 4.774) 12.465 4.564 ( -1.517 7.563 0.292) 7.719 4.775 ( 1.654 2.590 5.053) 5.914 4.808 ( -1.277 3.422 2.747) 4.570 5.051 ( 0.890 -6.947 3.692) 7.917 5.064 ( -0.565 -4.705 3.447) 5.859 5.135 ( 1.992 -2.296 -1.766) 3.515 5.168 ( -1.544 -1.299 -2.922) 3.551 5.206 ( 3.105 -3.494 2.599) 5.348 5.295 ( -4.291 -2.759 -3.918) 6.433 5.368 ( 1.130 0.561 -1.431) 1.908 5.426 ( -3.762 -1.038 -5.609) 6.833 5.586 ( 1.590 -5.638 0.637) 5.893 5.603 ( 0.166 -7.344 -1.166) 7.438 5.671 ( 3.056 -5.341 5.777) 8.440 5.711 ( -1.531 -5.489 7.587) 9.489 5.796 ( 1.133 0.673 -3.313) 3.565 5.826 ( -1.823 -0.216 -1.042) 2.111 5.909 ( 3.984 -3.694 2.529) 5.993 5.985 ( -3.325 -6.193 -3.894) 8.036 6.207 ( 0.887 -1.118 2.421) 2.810 6.223 ( -0.625 -2.473 2.764) 3.761 6.272 ( 1.586 -3.654 0.872) 4.078 6.297 ( -1.224 -5.402 0.361) 5.550 6.451 ( 2.784 2.055 5.799) 6.753 6.511 ( -3.347 2.326 0.475) 4.103 6.632 ( 2.650 -0.238 3.289) 4.231 6.686 ( -2.657 0.456 -0.147) 2.699 6.978 ( 3.688 -0.376 1.558) 4.022 7.025 ( 0.022 -1.290 -1.785) 2.203 7.107 ( -0.565 -2.948 3.622) 4.704 7.137 ( -2.357 -3.480 1.037) 4.330 7.514 ( 1.414 4.049 2.226) 4.832 7.545 ( -1.533 4.831 1.798) 5.378 7.623 ( 1.551 0.602 -7.875) 8.049 7.656 ( -1.610 1.219 -8.390) 8.630 8.550 ( 2.149 9.641 -0.879) 9.917 8.558 ( 1.468 10.182 -1.709) 10.428 9.004 ( -0.372 -4.006 0.377) 4.041 9.025 ( -2.033 -3.541 -1.609) 4.388 9.353 ( 0.457 0.185 1.208) 1.305 9.358 ( -1.280 0.114 0.462) 1.366 9.368 ( -3.705 0.958 -0.030) 3.827 9.402 ( -3.744 0.205 -2.044) 4.271 9.591 ( 4.944 0.829 2.691) 5.690 9.643 ( 5.202 1.214 -2.459) 5.880 9.690 ( -3.736 0.223 2.086) 4.285 9.729 ( -1.962 0.841 -1.910) 2.865 9.924 ( 5.705 3.073 2.890) 7.095 9.968 ( 7.662 3.535 -1.394) 8.552 10.056 ( -5.455 7.948 5.111) 10.911 10.118 ( -6.203 10.396 -1.271) 12.173 10.375 ( 0.464 1.658 1.821) 2.506 10.391 ( -0.874 -0.067 1.059) 1.375 10.509 ( 2.144 1.379 0.505) 2.599 10.522 ( 1.232 2.530 0.573) 2.872 10.719 ( -1.298 4.198 5.197) 6.806 10.738 ( -0.443 2.328 2.959) 3.792 10.783 ( -3.268 3.360 4.341) 6.389 10.795 ( -2.705 0.040 2.836) 3.920 10.926 ( 2.116 -0.289 4.916) 5.360 10.946 ( -0.487 -1.577 4.865) 5.137 10.983 ( 1.387 -0.147 -0.669) 1.547 11.013 ( -2.531 1.324 -1.138) 3.074 11.190 ( 4.782 2.782 6.899) 8.843 11.224 ( 3.514 3.320 6.009) 7.713 11.293 ( 0.941 0.691 5.248) 5.376 11.335 ( -1.447 1.125 1.977) 2.696 11.359 ( 0.352 -1.391 7.938) 8.066 11.383 ( -2.205 -0.046 5.062) 5.521 11.570 ( 1.527 -0.116 0.084) 1.534 11.582 ( 0.735 0.090 -1.114) 1.338 11.851 ( 0.635 0.760 5.996) 6.078 11.886 ( -1.813 -2.321 7.064) 7.653 12.020 ( 0.285 -4.173 2.352) 4.799 12.066 ( -3.416 -7.431 5.109) 9.643 12.326 ( 2.564 5.062 -10.139) 11.619 12.372 ( -2.086 4.490 -11.278) 12.317 12.646 ( 1.766 11.475 15.373) 19.264 12.674 ( -0.985 12.469 16.308) 20.553 12.892 ( 1.869 -3.128 -2.155) 4.233 12.933 ( -2.301 -3.449 1.458) 4.395 13.086 ( 1.075 2.937 0.981) 3.278 13.112 ( -0.995 7.047 -4.552) 8.448 13.148 ( 1.291 3.993 -0.064) 4.197 13.171 ( -0.441 4.908 -0.183) 4.931 13.494 ( 0.328 2.222 -16.897) 17.046 13.504 ( -0.626 2.214 -15.649) 15.817 14.764 ( 0.119 -8.870 4.319) 9.867 14.766 ( -0.067 -9.322 4.246) 10.244 14.893 ( 0.230 -8.607 -6.785) 10.962 14.898 ( -0.300 -9.443 -7.526) 12.079 15.495 ( 0.566 -1.267 3.845) 4.088 15.507 ( -0.643 -0.826 1.964) 2.226 15.555 ( 1.403 -1.989 0.019) 2.434 15.585 ( -1.578 -3.030 -2.690) 4.349 15.851 ( 3.118 -2.269 15.349) 15.826 15.920 ( -3.930 -5.413 13.712) 15.257 16.084 ( 2.638 -6.865 7.848) 10.756 16.120 ( -1.046 -9.187 5.033) 10.527 16.232 ( 0.546 4.719 -15.746) 16.447 16.255 ( -1.707 1.089 -16.633) 16.756 16.346 ( 1.985 -1.082 -15.012) 15.181 16.378 ( -1.372 -0.979 -14.201) 14.300 19.596 ( 0.990 -0.167 6.071) 6.154 19.617 ( -1.057 -0.612 5.502) 5.636 19.687 ( 0.336 -2.870 -1.569) 3.288 19.693 ( -0.208 -2.994 -0.601) 3.061 19.852 ( 0.353 0.694 -2.407) 2.530 19.859 ( -0.395 0.684 -2.203) 2.341 19.877 ( 0.353 0.065 -3.562) 3.580 19.884 ( -0.354 0.167 -3.373) 3.396 20.810 ( 1.352 -2.620 3.655) 4.696 20.834 ( -0.937 -3.328 1.464) 3.755 20.942 ( -0.036 -6.749 -0.055) 6.750 20.946 ( -0.389 -6.624 -0.242) 6.640 21.408 ( 0.279 0.166 1.852) 1.880 21.415 ( -0.435 -0.393 1.992) 2.077 21.454 ( 0.575 -1.329 -2.491) 2.881 21.464 ( -0.432 -2.050 -2.649) 3.377 ======================= Grid point 93 (39/40) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 1.309 7.600) 7.712 1.968 ( 0.000 -0.167 9.450) 9.452 2.013 ( 0.000 0.301 4.491) 4.501 2.024 ( 0.000 0.049 1.507) 1.508 2.204 ( 0.000 0.551 3.547) 3.590 2.251 ( 0.000 -4.094 -1.814) 4.478 2.299 ( 0.000 5.710 3.020) 6.460 2.395 ( 0.000 -3.655 -2.927) 4.683 2.540 ( 0.000 -0.302 2.329) 2.348 2.547 ( 0.000 -0.963 1.964) 2.188 2.724 ( 0.000 0.522 -3.289) 3.330 2.749 ( 0.000 3.468 -0.038) 3.468 2.751 ( 0.000 -2.429 -5.217) 5.754 2.813 ( 0.000 -2.428 -4.708) 5.298 2.950 ( 0.000 0.487 -0.159) 0.512 2.978 ( 0.000 -2.390 -2.160) 3.221 3.228 ( 0.000 4.887 7.139) 8.651 3.243 ( 0.000 3.621 6.388) 7.343 3.382 ( 0.000 4.034 6.428) 7.589 3.406 ( 0.000 -0.042 11.453) 11.453 3.494 ( 0.000 7.033 -5.507) 8.932 3.546 ( 0.000 1.436 -5.379) 5.568 3.586 ( 0.000 7.121 -3.910) 8.124 3.626 ( 0.000 3.110 -5.856) 6.631 3.674 ( 0.000 2.961 1.356) 3.256 3.725 ( 0.000 -1.620 -3.029) 3.435 3.798 ( 0.000 5.248 -0.332) 5.259 3.807 ( 0.000 3.397 -1.634) 3.770 3.870 ( 0.000 1.822 2.442) 3.047 3.871 ( 0.000 2.402 1.651) 2.915 3.908 ( 0.000 6.211 -1.342) 6.354 3.932 ( 0.000 2.910 -1.009) 3.080 4.009 ( 0.000 2.576 0.572) 2.639 4.046 ( 0.000 -1.105 4.320) 4.459 4.083 ( 0.000 2.297 -5.061) 5.557 4.142 ( 0.000 -1.560 -4.275) 4.551 4.706 ( 0.000 3.826 3.771) 5.372 4.721 ( 0.000 -0.169 2.316) 2.322 4.790 ( 0.000 9.346 3.825) 10.098 4.814 ( 0.000 -0.582 1.184) 1.320 4.916 ( 0.000 1.373 2.481) 2.836 4.962 ( 0.000 -3.550 -1.291) 3.777 5.064 ( 0.000 -5.057 8.410) 9.813 5.203 ( 0.000 -7.581 -6.185) 9.784 5.213 ( 0.000 5.680 4.245) 7.091 5.292 ( 0.000 -1.961 -0.010) 1.961 5.321 ( 0.000 -5.816 3.579) 6.829 5.370 ( 0.000 -4.768 -3.711) 6.042 5.448 ( 0.000 1.412 -4.586) 4.799 5.456 ( 0.000 -0.193 -3.125) 3.131 5.569 ( 0.000 -5.464 3.792) 6.651 5.574 ( 0.000 -8.028 1.861) 8.241 5.815 ( 0.000 1.699 2.783) 3.260 5.841 ( 0.000 -1.047 0.739) 1.281 5.892 ( 0.000 3.487 1.546) 3.814 5.936 ( 0.000 -1.465 -3.442) 3.741 6.155 ( 0.000 -2.257 1.858) 2.924 6.158 ( 0.000 -2.420 1.259) 2.728 6.224 ( 0.000 -2.938 2.352) 3.763 6.225 ( 0.000 -2.151 1.751) 2.773 6.466 ( 0.000 3.670 1.706) 4.047 6.526 ( 0.000 -2.187 -3.973) 4.535 6.663 ( 0.000 3.753 5.072) 6.310 6.716 ( 0.000 -1.380 0.460) 1.454 6.937 ( 0.000 0.753 2.551) 2.660 6.967 ( 0.000 -2.149 0.728) 2.269 7.103 ( 0.000 -0.330 3.995) 4.008 7.114 ( 0.000 -1.519 3.041) 3.399 7.564 ( 0.000 2.698 -0.994) 2.875 7.601 ( 0.000 -1.135 -4.362) 4.507 7.646 ( 0.000 3.369 -2.156) 4.000 7.684 ( 0.000 -0.566 -5.625) 5.653 8.633 ( 0.000 3.513 -1.242) 3.726 8.646 ( 0.000 2.526 -2.522) 3.569 9.018 ( 0.000 1.030 1.751) 2.031 9.040 ( 0.000 -0.858 -0.362) 0.932 9.362 ( 0.000 1.427 3.238) 3.538 9.392 ( 0.000 -1.438 2.183) 2.614 9.424 ( 0.000 0.360 -2.640) 2.665 9.439 ( 0.000 -1.143 -2.236) 2.512 9.566 ( 0.000 2.924 1.785) 3.425 9.599 ( 0.000 1.269 -1.262) 1.790 9.675 ( 0.000 -1.629 1.486) 2.205 9.700 ( 0.000 -2.189 -0.710) 2.301 9.938 ( 0.000 1.903 -1.344) 2.329 9.939 ( 0.000 1.691 -1.271) 2.115 10.229 ( 0.000 3.722 8.236) 9.038 10.300 ( 0.000 -4.048 4.286) 5.896 10.378 ( 0.000 4.923 -0.440) 4.943 10.418 ( 0.000 0.427 -1.260) 1.331 10.523 ( 0.000 0.892 1.892) 2.092 10.524 ( 0.000 0.257 2.071) 2.087 10.728 ( 0.000 2.329 9.053) 9.348 10.781 ( 0.000 -2.814 5.130) 5.851 10.902 ( 0.000 3.845 0.994) 3.971 10.933 ( 0.000 4.634 0.336) 4.646 10.935 ( 0.000 3.388 6.772) 7.572 10.967 ( 0.000 0.350 2.392) 2.418 11.031 ( 0.000 6.326 7.281) 9.646 11.121 ( 0.000 -2.069 2.107) 2.952 11.133 ( 0.000 3.690 -1.336) 3.924 11.174 ( 0.000 2.475 -4.058) 4.753 11.303 ( 0.000 1.453 8.681) 8.802 11.336 ( 0.000 -0.892 5.673) 5.743 11.341 ( 0.000 -1.199 5.127) 5.266 11.406 ( 0.000 -3.981 0.654) 4.034 11.462 ( 0.000 -2.392 0.443) 2.432 11.546 ( 0.000 -5.170 -4.475) 6.838 11.817 ( 0.000 -0.667 12.509) 12.527 11.845 ( 0.000 -1.807 6.871) 7.105 11.971 ( 0.000 -3.221 -0.505) 3.261 11.976 ( 0.000 -2.556 -3.837) 4.610 12.492 ( 0.000 12.131 -2.823) 12.455 12.569 ( 0.000 11.422 -8.539) 14.261 12.718 ( 0.000 -10.682 -0.313) 10.686 12.773 ( 0.000 -6.369 -7.236) 9.640 12.862 ( 0.000 5.830 22.140) 22.895 12.909 ( 0.000 8.760 16.404) 18.597 13.030 ( 0.000 -3.395 19.246) 19.543 13.098 ( 0.000 -5.397 15.729) 16.629 13.381 ( 0.000 11.728 -18.157) 21.615 13.386 ( 0.000 10.364 -20.269) 22.765 13.514 ( 0.000 -0.560 -19.421) 19.429 13.529 ( 0.000 -1.261 -17.296) 17.342 14.629 ( 0.000 -2.458 3.384) 4.183 14.637 ( 0.000 -2.151 4.175) 4.697 14.707 ( 0.000 -9.232 -0.405) 9.241 14.715 ( 0.000 -8.884 0.862) 8.926 15.462 ( 0.000 0.178 -0.459) 0.492 15.511 ( 0.000 -4.448 -4.069) 6.028 15.524 ( 0.000 0.559 -2.692) 2.749 15.528 ( 0.000 0.088 -0.524) 0.532 15.844 ( 0.000 3.228 11.026) 11.489 15.853 ( 0.000 -2.094 12.384) 12.560 15.909 ( 0.000 -6.314 9.040) 11.026 15.958 ( 0.000 -7.729 6.379) 10.021 16.310 ( 0.000 1.979 -14.336) 14.472 16.319 ( 0.000 1.960 -14.929) 15.057 16.338 ( 0.000 2.346 -13.236) 13.442 16.377 ( 0.000 -1.134 -14.026) 14.072 19.597 ( 0.000 1.171 4.108) 4.272 19.622 ( 0.000 0.323 3.861) 3.875 19.632 ( 0.000 -2.398 1.095) 2.636 19.644 ( 0.000 -1.983 2.167) 2.937 19.859 ( 0.000 0.557 -3.254) 3.301 19.869 ( 0.000 -0.426 -3.741) 3.765 19.875 ( 0.000 0.605 -2.675) 2.743 19.886 ( 0.000 -0.429 -3.269) 3.297 20.768 ( 0.000 -0.067 2.577) 2.578 20.788 ( 0.000 -1.589 0.563) 1.686 20.830 ( 0.000 -3.825 1.646) 4.164 20.840 ( 0.000 -4.103 0.742) 4.170 21.417 ( 0.000 0.769 0.364) 0.851 21.421 ( 0.000 0.633 -0.007) 0.633 21.434 ( 0.000 -0.692 -1.437) 1.595 21.436 ( 0.000 -1.194 -1.417) 1.853 ======================= Grid point 94 (40/40) ======================= q-point: ( 0.33 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 1.071 2.079 8.285) 8.609 1.984 ( 0.046 1.395 7.679) 7.805 2.007 ( 0.590 -0.812 4.167) 4.287 2.028 ( -0.442 -1.420 3.256) 3.580 2.238 ( 3.227 0.947 4.006) 5.231 2.282 ( 2.290 -1.549 -0.661) 2.843 2.293 ( -0.083 1.942 4.173) 4.603 2.365 ( -3.579 -3.148 0.195) 4.771 2.485 ( -2.726 1.861 -2.177) 3.954 2.498 ( -2.843 1.423 -3.848) 4.991 2.589 ( -5.383 -2.554 -3.279) 6.801 2.595 ( -6.014 -3.590 -4.475) 8.311 2.939 ( 7.014 1.539 -0.299) 7.187 2.946 ( 8.439 1.168 -0.537) 8.536 3.027 ( 2.416 0.152 1.609) 2.906 3.046 ( 2.051 -1.245 0.898) 2.562 3.225 ( 3.311 5.418 6.408) 9.021 3.280 ( 6.367 0.046 1.208) 6.481 3.355 ( -5.825 3.148 9.431) 11.523 3.405 ( -1.207 -0.495 3.857) 4.072 3.509 ( 0.471 6.327 -2.842) 6.952 3.545 ( 0.269 2.461 -4.706) 5.317 3.565 ( -3.294 4.817 -2.925) 6.528 3.590 ( -3.332 1.957 -5.681) 6.871 3.677 ( 3.076 6.555 -0.004) 7.241 3.699 ( 0.525 3.746 -1.955) 4.257 3.768 ( -1.768 2.435 1.036) 3.182 3.786 ( -3.795 3.230 -1.327) 5.157 3.866 ( -0.159 3.644 1.152) 3.825 3.880 ( -1.007 3.837 0.757) 4.039 3.905 ( -1.729 1.657 -1.061) 2.620 3.906 ( -0.164 0.072 -0.695) 0.717 4.000 ( 1.297 5.064 1.087) 5.339 4.038 ( -2.162 5.035 0.580) 5.510 4.084 ( 2.046 -2.013 -0.549) 2.922 4.127 ( -1.946 -2.364 -2.398) 3.889 4.749 ( 3.020 4.281 3.001) 6.038 4.756 ( 2.692 2.387 2.593) 4.435 4.808 ( 1.576 8.952 3.962) 9.916 4.825 ( 0.687 5.639 0.356) 5.692 4.874 ( -2.343 -7.175 1.770) 7.753 4.920 ( -4.153 -2.014 -1.753) 4.937 5.078 ( 2.075 -9.967 4.958) 11.323 5.146 ( -4.327 -9.583 -1.816) 10.670 5.228 ( 0.611 6.978 -0.397) 7.015 5.251 ( -2.298 3.227 0.072) 3.962 5.353 ( 2.497 -5.706 2.711) 6.793 5.386 ( -0.328 -7.057 -0.013) 7.065 5.456 ( 1.707 1.738 -3.161) 3.991 5.471 ( 0.527 0.339 -3.905) 3.955 5.575 ( 0.457 -7.515 4.297) 8.669 5.582 ( 0.258 -6.078 3.304) 6.923 5.836 ( 1.848 2.254 1.482) 3.270 5.858 ( 1.127 0.789 -0.682) 1.535 5.879 ( -0.621 1.384 1.752) 2.317 5.914 ( -2.393 -1.432 -2.018) 3.442 6.163 ( 0.741 -1.893 1.476) 2.512 6.166 ( 0.553 -2.143 1.356) 2.596 6.197 ( -1.172 -3.153 1.638) 3.741 6.206 ( -1.750 -3.675 0.940) 4.178 6.522 ( 4.749 4.233 2.212) 6.735 6.567 ( 2.743 1.105 -2.213) 3.694 6.631 ( -2.188 1.176 3.900) 4.624 6.675 ( -3.965 -1.810 -0.193) 4.363 6.980 ( 4.008 0.678 2.830) 4.954 7.001 ( 3.217 -1.255 1.267) 3.678 7.068 ( -3.262 -0.742 3.995) 5.211 7.082 ( -3.253 -1.999 2.772) 4.719 7.582 ( 1.886 2.836 -1.347) 3.662 7.620 ( 1.924 -1.043 -4.742) 5.223 7.624 ( -2.155 3.166 -1.914) 4.282 7.662 ( -2.162 -0.767 -5.360) 5.830 8.704 ( 6.572 5.646 -0.615) 8.686 8.717 ( 6.283 5.041 -1.853) 8.266 8.934 ( -7.204 -2.359 0.743) 7.616 8.952 ( -8.028 -3.544 -1.036) 8.837 9.359 ( 0.718 0.420 1.251) 1.502 9.362 ( -0.386 0.177 1.052) 1.135 9.388 ( -1.950 0.866 -0.336) 2.160 9.401 ( -2.741 -0.434 -1.050) 2.967 9.624 ( 4.541 2.193 1.525) 5.269 9.650 ( 4.991 -0.333 -1.088) 5.119 9.711 ( -2.444 1.190 1.342) 3.031 9.730 ( -0.843 -0.756 -0.444) 1.217 9.969 ( 6.566 1.930 1.420) 6.990 9.995 ( 8.059 -0.398 -1.037) 8.135 10.144 ( -8.471 2.515 5.025) 10.166 10.192 ( -9.964 -1.832 0.684) 10.154 10.423 ( 4.611 4.364 2.880) 6.972 10.458 ( 2.974 2.736 -0.311) 4.053 10.528 ( -0.258 0.285 2.335) 2.366 10.550 ( -0.029 -0.449 0.756) 0.880 10.740 ( 1.267 0.714 7.162) 7.308 10.765 ( -1.258 -1.747 5.605) 6.004 10.798 ( -4.898 1.315 3.831) 6.356 10.808 ( -6.185 0.104 3.157) 6.945 10.969 ( 2.728 4.001 2.920) 5.655 11.010 ( 3.564 1.384 -0.245) 3.831 11.026 ( -2.261 7.764 2.863) 8.579 11.084 ( -3.796 3.025 -1.198) 5.000 11.243 ( 5.420 2.871 6.564) 8.984 11.274 ( 6.022 1.191 6.180) 8.711 11.306 ( 2.411 2.652 3.338) 4.898 11.333 ( -0.123 -0.507 5.510) 5.534 11.340 ( -0.483 -1.095 6.551) 6.660 11.403 ( -2.328 2.079 0.779) 3.217 11.469 ( 2.057 -8.878 -0.818) 9.150 11.527 ( -2.433 -6.961 -3.796) 8.294 11.837 ( 2.382 0.012 8.546) 8.872 11.858 ( 1.273 -0.533 4.432) 4.642 11.930 ( -3.443 -3.861 1.438) 5.369 11.937 ( -3.295 -3.233 -1.638) 4.898 12.512 ( 1.812 11.899 -4.307) 12.784 12.549 ( -1.892 11.619 -6.980) 13.686 12.734 ( 1.572 -10.281 -1.077) 10.456 12.765 ( -1.266 -9.637 -5.490) 11.163 12.879 ( 1.772 9.263 20.408) 22.482 12.907 ( -0.702 10.331 16.739) 19.683 13.039 ( 1.239 -5.221 17.644) 18.442 13.075 ( -2.138 -5.562 15.860) 16.942 13.390 ( 0.679 11.610 -18.437) 21.799 13.393 ( 0.380 11.015 -19.178) 22.120 13.513 ( 0.040 -1.155 -18.769) 18.805 13.521 ( -0.663 -1.454 -17.652) 17.724 14.631 ( 0.205 -2.386 3.578) 4.306 14.635 ( -0.180 -2.232 3.967) 4.556 14.709 ( 0.198 -9.127 -0.094) 9.129 14.713 ( -0.199 -8.954 0.527) 8.972 15.476 ( 1.329 0.313 -0.592) 1.489 15.504 ( -1.524 0.641 -1.038) 1.952 15.517 ( 0.600 -3.568 -3.622) 5.119 15.528 ( -0.389 -1.460 -2.504) 2.925 15.842 ( 0.013 2.053 11.550) 11.731 15.847 ( -0.416 0.359 12.122) 12.135 15.924 ( 1.338 -7.250 8.237) 11.054 15.948 ( -1.014 -7.727 6.932) 10.430 16.313 ( 0.429 2.833 -14.159) 14.446 16.322 ( -0.325 3.398 -13.795) 14.211 16.343 ( 1.012 -0.069 -14.332) 14.368 16.366 ( -1.133 -0.936 -14.219) 14.295 19.603 ( 0.597 0.988 4.065) 4.226 19.616 ( -0.613 0.572 3.943) 4.031 19.636 ( 0.329 -2.325 1.345) 2.706 19.642 ( -0.261 -2.122 1.868) 2.840 19.863 ( 0.365 0.578 -3.102) 3.177 19.871 ( -0.394 0.601 -2.816) 2.907 19.873 ( 0.395 -0.434 -3.621) 3.669 19.882 ( -0.405 -0.435 -3.388) 3.440 20.778 ( 0.934 -0.157 2.264) 2.454 20.790 ( -0.081 -0.746 1.168) 1.388 20.826 ( -0.189 -4.371 1.305) 4.566 20.832 ( -0.645 -4.306 0.791) 4.425 21.418 ( 0.101 0.754 0.285) 0.813 21.420 ( -0.128 0.691 0.100) 0.709 21.435 ( 0.040 -0.842 -1.440) 1.668 21.436 ( -0.025 -1.085 -1.432) 1.797 =================== 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 3/29484 10.0 368.971 269.894 444.022 0.000 0.000 -0.000 3/29484 20.0 69.476 66.196 125.194 0.000 0.000 -0.000 3/29484 30.0 28.200 29.861 56.952 0.000 0.000 -0.000 3/29484 40.0 16.370 17.920 33.857 0.000 0.000 -0.000 3/29484 50.0 11.205 12.529 23.235 0.000 0.000 -0.000 3/29484 60.0 8.401 9.551 17.403 0.000 0.000 -0.000 3/29484 70.0 6.669 7.684 13.807 0.000 0.000 -0.000 3/29484 80.0 5.506 6.412 11.406 0.000 0.000 -0.000 3/29484 90.0 4.677 5.496 9.707 0.000 0.000 -0.000 3/29484 100.0 4.060 4.807 8.450 0.000 0.000 -0.000 3/29484 110.0 3.584 4.272 7.488 0.000 0.000 -0.000 3/29484 120.0 3.208 3.847 6.730 0.000 0.000 -0.000 3/29484 130.0 2.903 3.501 6.118 0.000 0.000 -0.000 3/29484 140.0 2.651 3.214 5.614 0.000 0.000 -0.000 3/29484 150.0 2.440 2.973 5.192 0.000 0.000 -0.000 3/29484 160.0 2.261 2.767 4.833 0.000 0.000 -0.000 3/29484 170.0 2.106 2.589 4.524 0.000 0.000 -0.000 3/29484 180.0 1.972 2.434 4.254 0.000 0.000 -0.000 3/29484 190.0 1.855 2.297 4.016 0.000 0.000 -0.000 3/29484 200.0 1.751 2.176 3.806 0.000 0.000 -0.000 3/29484 210.0 1.658 2.067 3.617 0.000 0.000 -0.000 3/29484 220.0 1.575 1.970 3.448 0.000 0.000 -0.000 3/29484 230.0 1.500 1.881 3.294 0.000 0.000 -0.000 3/29484 240.0 1.432 1.801 3.154 0.000 0.000 -0.000 3/29484 250.0 1.370 1.727 3.026 0.000 0.000 -0.000 3/29484 260.0 1.313 1.660 2.908 0.000 0.000 -0.000 3/29484 270.0 1.261 1.598 2.800 0.000 0.000 -0.000 3/29484 280.0 1.213 1.540 2.699 0.000 0.000 -0.000 3/29484 290.0 1.169 1.486 2.606 0.000 0.000 -0.000 3/29484 300.0 1.127 1.437 2.519 0.000 0.000 -0.000 3/29484 310.0 1.089 1.390 2.438 0.000 0.000 -0.000 3/29484 320.0 1.053 1.347 2.362 0.000 0.000 -0.000 3/29484 330.0 1.020 1.306 2.291 0.000 0.000 -0.000 3/29484 340.0 0.989 1.268 2.224 0.000 0.000 -0.000 3/29484 350.0 0.959 1.232 2.160 0.000 0.000 -0.000 3/29484 360.0 0.931 1.197 2.101 0.000 0.000 -0.000 3/29484 370.0 0.905 1.165 2.044 0.000 0.000 -0.000 3/29484 380.0 0.881 1.135 1.991 0.000 0.000 -0.000 3/29484 390.0 0.857 1.106 1.940 0.000 0.000 -0.000 3/29484 400.0 0.835 1.078 1.892 0.000 0.000 -0.000 3/29484 410.0 0.814 1.052 1.846 0.000 0.000 -0.000 3/29484 420.0 0.794 1.027 1.803 0.000 0.000 -0.000 3/29484 430.0 0.775 1.004 1.761 0.000 0.000 -0.000 3/29484 440.0 0.757 0.981 1.722 0.000 0.000 -0.000 3/29484 450.0 0.740 0.960 1.684 0.000 0.000 -0.000 3/29484 460.0 0.724 0.939 1.647 0.000 0.000 -0.000 3/29484 470.0 0.708 0.919 1.613 0.000 0.000 -0.000 3/29484 480.0 0.693 0.900 1.579 0.000 0.000 -0.000 3/29484 490.0 0.678 0.882 1.547 0.000 0.000 -0.000 3/29484 500.0 0.665 0.864 1.517 0.000 0.000 -0.000 3/29484 510.0 0.651 0.848 1.487 0.000 0.000 -0.000 3/29484 520.0 0.639 0.831 1.459 0.000 0.000 -0.000 3/29484 530.0 0.626 0.816 1.432 0.000 0.000 -0.000 3/29484 540.0 0.614 0.801 1.405 0.000 0.000 -0.000 3/29484 550.0 0.603 0.786 1.380 0.000 0.000 -0.000 3/29484 560.0 0.592 0.773 1.356 0.000 0.000 -0.000 3/29484 570.0 0.582 0.759 1.332 0.000 0.000 -0.000 3/29484 580.0 0.571 0.746 1.309 0.000 0.000 -0.000 3/29484 590.0 0.562 0.734 1.287 0.000 0.000 -0.000 3/29484 600.0 0.552 0.721 1.266 0.000 0.000 -0.000 3/29484 610.0 0.543 0.710 1.245 0.000 0.000 -0.000 3/29484 620.0 0.534 0.698 1.225 0.000 0.000 -0.000 3/29484 630.0 0.526 0.687 1.206 0.000 0.000 -0.000 3/29484 640.0 0.517 0.677 1.187 0.000 0.000 -0.000 3/29484 650.0 0.509 0.666 1.169 0.000 0.000 -0.000 3/29484 660.0 0.501 0.656 1.152 0.000 0.000 -0.000 3/29484 670.0 0.494 0.647 1.135 0.000 0.000 -0.000 3/29484 680.0 0.487 0.637 1.118 0.000 0.000 -0.000 3/29484 690.0 0.479 0.628 1.102 0.000 0.000 -0.000 3/29484 700.0 0.473 0.619 1.086 0.000 0.000 -0.000 3/29484 710.0 0.466 0.610 1.071 0.000 0.000 -0.000 3/29484 720.0 0.459 0.602 1.056 0.000 0.000 -0.000 3/29484 730.0 0.453 0.594 1.042 0.000 0.000 -0.000 3/29484 740.0 0.447 0.586 1.028 0.000 0.000 -0.000 3/29484 750.0 0.441 0.578 1.014 0.000 0.000 -0.000 3/29484 760.0 0.435 0.571 1.001 0.000 0.000 -0.000 3/29484 770.0 0.429 0.563 0.988 0.000 0.000 -0.000 3/29484 780.0 0.424 0.556 0.976 0.000 0.000 -0.000 3/29484 790.0 0.418 0.549 0.963 0.000 0.000 -0.000 3/29484 800.0 0.413 0.542 0.951 0.000 0.000 -0.000 3/29484 810.0 0.408 0.536 0.940 0.000 0.000 -0.000 3/29484 820.0 0.403 0.529 0.928 0.000 0.000 -0.000 3/29484 830.0 0.398 0.523 0.917 0.000 0.000 -0.000 3/29484 840.0 0.393 0.517 0.906 0.000 0.000 -0.000 3/29484 850.0 0.389 0.511 0.896 0.000 0.000 -0.000 3/29484 860.0 0.384 0.505 0.885 0.000 0.000 -0.000 3/29484 870.0 0.380 0.499 0.875 0.000 0.000 -0.000 3/29484 880.0 0.375 0.493 0.865 0.000 0.000 -0.000 3/29484 890.0 0.371 0.488 0.856 0.000 0.000 -0.000 3/29484 900.0 0.367 0.482 0.846 0.000 0.000 -0.000 3/29484 910.0 0.363 0.477 0.837 0.000 0.000 -0.000 3/29484 920.0 0.359 0.472 0.828 0.000 0.000 -0.000 3/29484 930.0 0.355 0.467 0.819 0.000 0.000 -0.000 3/29484 940.0 0.351 0.462 0.810 0.000 0.000 -0.000 3/29484 950.0 0.347 0.457 0.802 0.000 0.000 -0.000 3/29484 960.0 0.344 0.452 0.794 0.000 0.000 -0.000 3/29484 970.0 0.340 0.448 0.785 0.000 0.000 -0.000 3/29484 980.0 0.337 0.443 0.777 0.000 0.000 -0.000 3/29484 990.0 0.333 0.439 0.770 0.000 0.000 -0.000 3/29484 1000.0 0.330 0.434 0.762 0.000 0.000 -0.000 3/29484 Thermal conductivity related properties were written into "kappa-m379.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:02:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|