# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e69d0c1b-ded4-4540-a61b-eb333d0279c3/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Sb4O5F2 / Pnma (62) / materials id 759707](https://mdr.nims.go.jp/datasets/c5ea97e0-dda7-4411-a70d-f5e19caa8add) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 00:13:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 1] 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 9.094801550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.706578800000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.620969909999999Atomic positions (fractional): *1 Sb 0.99034399478283 0.25000000000000 0.44420410699685 121.760 *2 Sb 0.95297441052848 0.75000000000000 0.01932057553181 121.760 *3 Sb 0.76684827631710 0.02761656044340 0.80496525732721 121.760 4 Sb 0.76684827631710 0.47238343955660 0.80496525732721 121.760 5 Sb 0.73315172368290 0.97238343955660 0.30496525732721 121.760 6 Sb 0.73315172368290 0.52761656044340 0.30496525732721 121.760 7 Sb 0.54702558947152 0.25000000000000 0.51932057553181 121.760 8 Sb 0.50965600521717 0.75000000000000 0.94420410699685 121.760 9 Sb 0.49034399478283 0.25000000000000 0.05579589300315 121.760 10 Sb 0.45297441052848 0.75000000000000 0.48067942446819 121.760 11 Sb 0.26684827631710 0.47238343955660 0.69503474267279 121.760 12 Sb 0.26684827631710 0.02761656044340 0.69503474267279 121.760 13 Sb 0.23315172368290 0.97238343955660 0.19503474267279 121.760 14 Sb 0.23315172368290 0.52761656044340 0.19503474267279 121.760 15 Sb 0.04702558947152 0.25000000000000 0.98067942446819 121.760 16 Sb 0.00965600521717 0.75000000000000 0.55579589300315 121.760 *17 O 0.96056040214677 0.93479287500747 0.86794603246653 15.999 18 O 0.96056040214677 0.56520712499253 0.86794603246653 15.999 *19 O 0.84573678664477 0.44552229443536 0.47130638471784 15.999 20 O 0.84573678664477 0.05447770556464 0.47130638471784 15.999 *21 O 0.82689611404672 0.25000000000000 0.93126784690713 15.999 22 O 0.67310388595328 0.75000000000000 0.43126784690713 15.999 23 O 0.65426321335523 0.94552229443535 0.97130638471784 15.999 24 O 0.65426321335523 0.55447770556465 0.97130638471784 15.999 25 O 0.53943959785323 0.43479287500747 0.36794603246653 15.999 26 O 0.53943959785323 0.06520712499253 0.36794603246653 15.999 27 O 0.46056040214677 0.93479287500747 0.63205396753347 15.999 28 O 0.46056040214677 0.56520712499253 0.63205396753347 15.999 29 O 0.34573678664477 0.44552229443536 0.02869361528216 15.999 30 O 0.34573678664477 0.05447770556464 0.02869361528216 15.999 31 O 0.32689611404672 0.25000000000000 0.56873215309287 15.999 32 O 0.17310388595328 0.75000000000000 0.06873215309287 15.999 33 O 0.15426321335523 0.94552229443535 0.52869361528216 15.999 34 O 0.15426321335523 0.55447770556465 0.52869361528216 15.999 35 O 0.03943959785323 0.43479287500747 0.13205396753348 15.999 36 O 0.03943959785323 0.06520712499253 0.13205396753348 15.999 *37 F 0.99188567514313 0.75000000000000 0.34649028341363 18.998 *38 F 0.78469598899393 0.25000000000000 0.25126342051242 18.998 39 F 0.71530401100607 0.75000000000000 0.75126342051242 18.998 40 F 0.50811432485687 0.25000000000000 0.84649028341363 18.998 41 F 0.49188567514313 0.75000000000000 0.15350971658637 18.998 42 F 0.28469598899393 0.25000000000000 0.24873657948758 18.998 43 F 0.21530401100607 0.75000000000000 0.74873657948758 18.998 44 F 0.00811432485687 0.25000000000000 0.65350971658637 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.094801550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.706578800000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.620969909999999Atomic positions (fractional): *1 Sb 0.99034399478283 0.25000000000000 0.44420410699685 121.760 > 1 *2 Sb 0.95297441052848 0.75000000000000 0.01932057553181 121.760 > 2 *3 Sb 0.76684827631710 0.02761656044340 0.80496525732721 121.760 > 3 4 Sb 0.76684827631710 0.47238343955660 0.80496525732721 121.760 > 4 5 Sb 0.73315172368290 0.97238343955660 0.30496525732721 121.760 > 5 6 Sb 0.73315172368290 0.52761656044340 0.30496525732721 121.760 > 6 7 Sb 0.54702558947152 0.25000000000000 0.51932057553181 121.760 > 7 8 Sb 0.50965600521717 0.75000000000000 0.94420410699685 121.760 > 8 9 Sb 0.49034399478283 0.25000000000000 0.05579589300315 121.760 > 9 10 Sb 0.45297441052848 0.75000000000000 0.48067942446819 121.760 > 10 11 Sb 0.26684827631710 0.47238343955660 0.69503474267279 121.760 > 11 12 Sb 0.26684827631710 0.02761656044340 0.69503474267279 121.760 > 12 13 Sb 0.23315172368290 0.97238343955660 0.19503474267279 121.760 > 13 14 Sb 0.23315172368290 0.52761656044340 0.19503474267279 121.760 > 14 15 Sb 0.04702558947152 0.25000000000000 0.98067942446819 121.760 > 15 16 Sb 0.00965600521717 0.75000000000000 0.55579589300315 121.760 > 16 *17 O 0.96056040214677 0.93479287500747 0.86794603246653 15.999 > 17 18 O 0.96056040214677 0.56520712499253 0.86794603246653 15.999 > 18 *19 O 0.84573678664477 0.44552229443536 0.47130638471784 15.999 > 19 20 O 0.84573678664477 0.05447770556464 0.47130638471784 15.999 > 20 *21 O 0.82689611404672 0.25000000000000 0.93126784690713 15.999 > 21 22 O 0.67310388595328 0.75000000000000 0.43126784690713 15.999 > 22 23 O 0.65426321335523 0.94552229443535 0.97130638471784 15.999 > 23 24 O 0.65426321335523 0.55447770556465 0.97130638471784 15.999 > 24 25 O 0.53943959785323 0.43479287500747 0.36794603246653 15.999 > 25 26 O 0.53943959785323 0.06520712499253 0.36794603246653 15.999 > 26 27 O 0.46056040214677 0.93479287500747 0.63205396753347 15.999 > 27 28 O 0.46056040214677 0.56520712499253 0.63205396753347 15.999 > 28 29 O 0.34573678664477 0.44552229443536 0.02869361528216 15.999 > 29 30 O 0.34573678664477 0.05447770556464 0.02869361528216 15.999 > 30 31 O 0.32689611404672 0.25000000000000 0.56873215309287 15.999 > 31 32 O 0.17310388595328 0.75000000000000 0.06873215309287 15.999 > 32 33 O 0.15426321335523 0.94552229443535 0.52869361528216 15.999 > 33 34 O 0.15426321335523 0.55447770556465 0.52869361528216 15.999 > 34 35 O 0.03943959785323 0.43479287500747 0.13205396753348 15.999 > 35 36 O 0.03943959785323 0.06520712499253 0.13205396753348 15.999 > 36 *37 F 0.99188567514313 0.75000000000000 0.34649028341363 18.998 > 37 *38 F 0.78469598899393 0.25000000000000 0.25126342051242 18.998 > 38 39 F 0.71530401100607 0.75000000000000 0.75126342051242 18.998 > 39 40 F 0.50811432485687 0.25000000000000 0.84649028341363 18.998 > 40 41 F 0.49188567514313 0.75000000000000 0.15350971658637 18.998 > 41 42 F 0.28469598899393 0.25000000000000 0.24873657948758 18.998 > 42 43 F 0.21530401100607 0.75000000000000 0.74873657948758 18.998 > 43 44 F 0.00811432485687 0.25000000000000 0.65350971658637 18.998 > 44-------------------------------- super cell --------------------------------Lattice vectors: a 9.094801550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.413157600000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.620969909999999Atomic positions (fractional): *1 Sb 0.99034399478283 0.12500000000000 0.44420410699685 121.760 > 1 2 Sb 0.99034399478283 0.62500000000000 0.44420410699685 121.760 > 1 *3 Sb 0.95297441052848 0.37500000000000 0.01932057553181 121.760 > 2 4 Sb 0.95297441052848 0.87500000000000 0.01932057553181 121.760 > 2 *5 Sb 0.76684827631710 0.01380828022170 0.80496525732721 121.760 > 3 6 Sb 0.76684827631710 0.51380828022170 0.80496525732721 121.760 > 3 7 Sb 0.76684827631710 0.23619171977830 0.80496525732721 121.760 > 4 8 Sb 0.76684827631710 0.73619171977830 0.80496525732721 121.760 > 4 9 Sb 0.73315172368290 0.48619171977830 0.30496525732721 121.760 > 5 10 Sb 0.73315172368290 0.98619171977830 0.30496525732721 121.760 > 5 11 Sb 0.73315172368290 0.26380828022170 0.30496525732721 121.760 > 6 12 Sb 0.73315172368290 0.76380828022170 0.30496525732721 121.760 > 6 13 Sb 0.54702558947152 0.12500000000000 0.51932057553181 121.760 > 7 14 Sb 0.54702558947152 0.62500000000000 0.51932057553181 121.760 > 7 15 Sb 0.50965600521717 0.37500000000000 0.94420410699685 121.760 > 8 16 Sb 0.50965600521717 0.87500000000000 0.94420410699685 121.760 > 8 17 Sb 0.49034399478283 0.12500000000000 0.05579589300315 121.760 > 9 18 Sb 0.49034399478283 0.62500000000000 0.05579589300315 121.760 > 9 19 Sb 0.45297441052848 0.37500000000000 0.48067942446819 121.760 > 10 20 Sb 0.45297441052848 0.87500000000000 0.48067942446819 121.760 > 10 21 Sb 0.26684827631710 0.23619171977830 0.69503474267279 121.760 > 11 22 Sb 0.26684827631710 0.73619171977830 0.69503474267279 121.760 > 11 23 Sb 0.26684827631710 0.01380828022170 0.69503474267279 121.760 > 12 24 Sb 0.26684827631710 0.51380828022170 0.69503474267279 121.760 > 12 25 Sb 0.23315172368290 0.48619171977830 0.19503474267279 121.760 > 13 26 Sb 0.23315172368290 0.98619171977830 0.19503474267279 121.760 > 13 27 Sb 0.23315172368290 0.26380828022170 0.19503474267279 121.760 > 14 28 Sb 0.23315172368290 0.76380828022170 0.19503474267279 121.760 > 14 29 Sb 0.04702558947152 0.12500000000000 0.98067942446819 121.760 > 15 30 Sb 0.04702558947152 0.62500000000000 0.98067942446819 121.760 > 15 31 Sb 0.00965600521717 0.37500000000000 0.55579589300315 121.760 > 16 32 Sb 0.00965600521717 0.87500000000000 0.55579589300315 121.760 > 16 *33 O 0.96056040214677 0.46739643750373 0.86794603246653 15.999 > 17 34 O 0.96056040214677 0.96739643750373 0.86794603246653 15.999 > 17 35 O 0.96056040214677 0.28260356249627 0.86794603246653 15.999 > 18 36 O 0.96056040214677 0.78260356249627 0.86794603246653 15.999 > 18 *37 O 0.84573678664477 0.22276114721768 0.47130638471784 15.999 > 19 38 O 0.84573678664477 0.72276114721768 0.47130638471784 15.999 > 19 39 O 0.84573678664477 0.02723885278232 0.47130638471784 15.999 > 20 40 O 0.84573678664477 0.52723885278232 0.47130638471784 15.999 > 20 *41 O 0.82689611404672 0.12500000000000 0.93126784690713 15.999 > 21 42 O 0.82689611404672 0.62500000000000 0.93126784690713 15.999 > 21 43 O 0.67310388595328 0.37500000000000 0.43126784690713 15.999 > 22 44 O 0.67310388595328 0.87500000000000 0.43126784690713 15.999 > 22 45 O 0.65426321335523 0.47276114721768 0.97130638471784 15.999 > 23 46 O 0.65426321335523 0.97276114721768 0.97130638471784 15.999 > 23 47 O 0.65426321335523 0.27723885278232 0.97130638471784 15.999 > 24 48 O 0.65426321335523 0.77723885278232 0.97130638471784 15.999 > 24 49 O 0.53943959785323 0.21739643750373 0.36794603246653 15.999 > 25 50 O 0.53943959785323 0.71739643750373 0.36794603246653 15.999 > 25 51 O 0.53943959785323 0.03260356249627 0.36794603246653 15.999 > 26 52 O 0.53943959785323 0.53260356249627 0.36794603246653 15.999 > 26 53 O 0.46056040214677 0.46739643750373 0.63205396753347 15.999 > 27 54 O 0.46056040214677 0.96739643750373 0.63205396753347 15.999 > 27 55 O 0.46056040214677 0.28260356249627 0.63205396753347 15.999 > 28 56 O 0.46056040214677 0.78260356249627 0.63205396753347 15.999 > 28 57 O 0.34573678664477 0.22276114721768 0.02869361528216 15.999 > 29 58 O 0.34573678664477 0.72276114721768 0.02869361528216 15.999 > 29 59 O 0.34573678664477 0.02723885278232 0.02869361528216 15.999 > 30 60 O 0.34573678664477 0.52723885278232 0.02869361528216 15.999 > 30 61 O 0.32689611404672 0.12500000000000 0.56873215309287 15.999 > 31 62 O 0.32689611404672 0.62500000000000 0.56873215309287 15.999 > 31 63 O 0.17310388595328 0.37500000000000 0.06873215309287 15.999 > 32 64 O 0.17310388595328 0.87500000000000 0.06873215309287 15.999 > 32 65 O 0.15426321335523 0.47276114721768 0.52869361528216 15.999 > 33 66 O 0.15426321335523 0.97276114721768 0.52869361528216 15.999 > 33 67 O 0.15426321335523 0.27723885278232 0.52869361528216 15.999 > 34 68 O 0.15426321335523 0.77723885278232 0.52869361528216 15.999 > 34 69 O 0.03943959785323 0.21739643750373 0.13205396753348 15.999 > 35 70 O 0.03943959785323 0.71739643750373 0.13205396753348 15.999 > 35 71 O 0.03943959785323 0.03260356249627 0.13205396753348 15.999 > 36 72 O 0.03943959785323 0.53260356249627 0.13205396753348 15.999 > 36 *73 F 0.99188567514313 0.37500000000000 0.34649028341363 18.998 > 37 74 F 0.99188567514313 0.87500000000000 0.34649028341363 18.998 > 37 *75 F 0.78469598899393 0.12500000000000 0.25126342051242 18.998 > 38 76 F 0.78469598899393 0.62500000000000 0.25126342051242 18.998 > 38 77 F 0.71530401100607 0.37500000000000 0.75126342051242 18.998 > 39 78 F 0.71530401100607 0.87500000000000 0.75126342051242 18.998 > 39 79 F 0.50811432485687 0.12500000000000 0.84649028341363 18.998 > 40 80 F 0.50811432485687 0.62500000000000 0.84649028341363 18.998 > 40 81 F 0.49188567514313 0.37500000000000 0.15350971658637 18.998 > 41 82 F 0.49188567514313 0.87500000000000 0.15350971658637 18.998 > 41 83 F 0.28469598899393 0.12500000000000 0.24873657948758 18.998 > 42 84 F 0.28469598899393 0.62500000000000 0.24873657948758 18.998 > 42 85 F 0.21530401100607 0.37500000000000 0.74873657948758 18.998 > 43 86 F 0.21530401100607 0.87500000000000 0.74873657948758 18.998 > 43 87 F 0.00811432485687 0.12500000000000 0.65350971658637 18.998 > 44 88 F 0.00811432485687 0.62500000000000 0.65350971658637 18.998 > 44----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.8452026 0.0000000 0.0000000 0.0000000 5.5396488 0.0000000 0.0000000 0.0000000 4.5477447-------------------------- Born effective charges -------------------------- 1 Sb 3.9960289 0.0000000 0.4498625 0.0000000 4.2192375 0.0000000 0.2390086 0.0000000 3.1912394 2 Sb 3.4203831 0.0000000 1.0910399 0.0000000 4.4852845 0.0000000 0.5454189 0.0000000 3.2518880 3 Sb 3.5330428 0.4755803 -0.0259054 0.3679745 4.5721347 0.2194407 0.1824534 0.0419256 2.9599686 4 Sb 3.5330428 -0.4755803 -0.0259054 -0.3679745 4.5721347 -0.2194407 0.1824534 -0.0419256 2.9599686 5 Sb 3.5330428 0.4755803 0.0259054 0.3679745 4.5721347 -0.2194407 -0.1824534 -0.0419256 2.9599686 6 Sb 3.5330428 -0.4755803 0.0259054 -0.3679745 4.5721347 0.2194407 -0.1824534 0.0419256 2.9599686 7 Sb 3.4203831 0.0000000 -1.0910399 0.0000000 4.4852845 0.0000000 -0.5454189 0.0000000 3.2518880 8 Sb 3.9960289 0.0000000 -0.4498625 0.0000000 4.2192375 0.0000000 -0.2390086 0.0000000 3.1912394 9 Sb 3.9960289 0.0000000 -0.4498625 0.0000000 4.2192375 0.0000000 -0.2390086 0.0000000 3.1912394 10 Sb 3.4203831 0.0000000 -1.0910399 0.0000000 4.4852845 0.0000000 -0.5454189 0.0000000 3.2518880 11 Sb 3.5330428 -0.4755803 0.0259054 -0.3679745 4.5721347 0.2194407 -0.1824534 0.0419256 2.9599686 12 Sb 3.5330428 0.4755803 0.0259054 0.3679745 4.5721347 -0.2194407 -0.1824534 -0.0419256 2.9599686 13 Sb 3.5330428 0.4755803 -0.0259054 0.3679745 4.5721347 0.2194407 0.1824534 0.0419256 2.9599686 14 Sb 3.5330428 -0.4755803 -0.0259054 -0.3679745 4.5721347 -0.2194407 0.1824534 -0.0419256 2.9599686 15 Sb 3.4203831 0.0000000 1.0910399 0.0000000 4.4852845 0.0000000 0.5454189 0.0000000 3.2518880 16 Sb 3.9960289 0.0000000 0.4498625 0.0000000 4.2192375 0.0000000 0.2390086 0.0000000 3.1912394 17 O -2.0102427 0.4284318 -0.6979859 0.2688956 -2.7587135 1.0747561 -0.2789673 0.7593451 -2.1349241 18 O -2.0102427 -0.4284318 -0.6979859 -0.2688956 -2.7587135 -1.0747561 -0.2789673 -0.7593451 -2.1349241 19 O -2.4779775 0.6289130 -0.6929626 0.8813375 -2.4588313 0.1466228 -0.4129950 0.2689703 -1.6378325 20 O -2.4779775 -0.6289130 -0.6929626 -0.8813375 -2.4588313 -0.1466228 -0.4129950 -0.2689703 -1.6378325 21 O -2.9103935 0.0000000 -1.0026697 0.0000000 -3.0237941 0.0000000 -0.8612020 0.0000000 -1.5004858 22 O -2.9103935 0.0000000 1.0026697 0.0000000 -3.0237941 0.0000000 0.8612020 0.0000000 -1.5004858 23 O -2.4779775 -0.6289130 0.6929626 -0.8813375 -2.4588313 0.1466228 0.4129950 0.2689703 -1.6378325 24 O -2.4779775 0.6289130 0.6929626 0.8813375 -2.4588313 -0.1466228 0.4129950 -0.2689703 -1.6378325 25 O -2.0102427 -0.4284318 0.6979859 -0.2688956 -2.7587135 1.0747561 0.2789673 0.7593451 -2.1349241 26 O -2.0102427 0.4284318 0.6979859 0.2688956 -2.7587135 -1.0747561 0.2789673 -0.7593451 -2.1349241 27 O -2.0102427 0.4284318 0.6979859 0.2688956 -2.7587135 -1.0747561 0.2789673 -0.7593451 -2.1349241 28 O -2.0102427 -0.4284318 0.6979859 -0.2688956 -2.7587135 1.0747561 0.2789673 0.7593451 -2.1349241 29 O -2.4779775 0.6289130 0.6929626 0.8813375 -2.4588313 -0.1466228 0.4129950 -0.2689703 -1.6378325 30 O -2.4779775 -0.6289130 0.6929626 -0.8813375 -2.4588313 0.1466228 0.4129950 0.2689703 -1.6378325 31 O -2.9103935 0.0000000 1.0026697 0.0000000 -3.0237941 0.0000000 0.8612020 0.0000000 -1.5004858 32 O -2.9103935 0.0000000 -1.0026697 0.0000000 -3.0237941 0.0000000 -0.8612020 0.0000000 -1.5004858 33 O -2.4779775 -0.6289130 -0.6929626 -0.8813375 -2.4588313 -0.1466228 -0.4129950 -0.2689703 -1.6378325 34 O -2.4779775 0.6289130 -0.6929626 0.8813375 -2.4588313 0.1466228 -0.4129950 0.2689703 -1.6378325 35 O -2.0102427 -0.4284318 -0.6979859 -0.2688956 -2.7587135 -1.0747561 -0.2789673 -0.7593451 -2.1349241 36 O -2.0102427 0.4284318 -0.6979859 0.2688956 -2.7587135 1.0747561 -0.2789673 0.7593451 -2.1349241 37 F -1.4084055 0.0000000 -0.4417079 0.0000000 -1.0961268 0.0000000 0.1436004 0.0000000 -2.3452111 38 F -1.1872581 0.0000000 -0.2714742 0.0000000 -3.2937809 0.0000000 -0.1826007 0.0000000 -0.9718547 39 F -1.1872581 0.0000000 0.2714742 0.0000000 -3.2937809 0.0000000 0.1826007 0.0000000 -0.9718547 40 F -1.4084055 0.0000000 0.4417079 0.0000000 -1.0961268 0.0000000 -0.1436004 0.0000000 -2.3452111 41 F -1.4084055 0.0000000 0.4417079 0.0000000 -1.0961268 0.0000000 -0.1436004 0.0000000 -2.3452111 42 F -1.1872581 0.0000000 0.2714742 0.0000000 -3.2937809 0.0000000 0.1826007 0.0000000 -0.9718547 43 F -1.1872581 0.0000000 -0.2714742 0.0000000 -3.2937809 0.0000000 -0.1826007 0.0000000 -0.9718547 44 F -1.4084055 0.0000000 -0.4417079 0.0000000 -1.0961268 0.0000000 0.1436004 0.0000000 -2.3452111----------------------------------------------------------------------------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: 264/264Permutation basis: 17556/17556Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2302Number of blocks in projector: 2302Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 534Use submatrix version of eigh solver.(1) Block: 534 / 534 (2) Block: 250 / 534 (2) 234 eigenvectors found. (2) Block: 534 / 534 (2) 268 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 518 eigenvectors found.(1) Complementary block size: 16(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 300Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 300Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 300Use standard eigh solver.Tree of FC basis block matrices:- (2302, 2250), data: False|-- (300, 292), data: True|-- (300, 292), data: True|-- (300, 292), data: True|-- (434, 428), data: True|-- (434, 428), data: True|-- (534, 518), data: False |-- (534, 518), data: False |-- (534, 16), data: (534, 32) @ (32, 16) |-- (284, 268), data: True |-- (250, 234), data: True-----Solver_atoms: 1 -- 88 / 88Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 720 - Time: 0.552Solver_block: 200 / 720 - Time: 0.479Solver_block: 300 / 720 - Time: 0.478Solver_block: 400 / 720 - Time: 0.480Solver_block: 500 / 720 - Time: 0.477Solver_block: 600 / 720 - Time: 0.481Solver_block: 700 / 720 - Time: 0.480Solver_block: 720 / 720 - Time: 0.199Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.707--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264Permutation basis: 17556/17556Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2302Number of blocks in projector: 2302Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 534Use submatrix version of eigh solver.(1) Block: 534 / 534 (2) Block: 250 / 534 (2) 234 eigenvectors found. (2) Block: 534 / 534 (2) 268 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 518 eigenvectors found.(1) Complementary block size: 16(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 300Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 300Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 300Use standard eigh solver.Tree of FC basis block matrices:- (2302, 2250), data: False|-- (300, 292), data: True|-- (300, 292), data: True|-- (300, 292), data: True|-- (434, 428), data: True|-- (434, 428), data: True|-- (534, 518), data: False |-- (534, 518), data: False |-- (534, 16), data: (534, 32) @ (32, 16) |-- (284, 268), data: True |-- (250, 234), data: TrueMax 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 2026-01-09 00:14:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 00:14:02]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.094801550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.706578800000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.620969909999999Atomic positions (fractional): 1 Sb 0.99034399478283 0.25000000000000 0.44420410699685 121.760 2 Sb 0.95297441052848 0.75000000000000 0.01932057553181 121.760 3 Sb 0.76684827631710 0.02761656044340 0.80496525732721 121.760 4 Sb 0.76684827631710 0.47238343955660 0.80496525732721 121.760 5 Sb 0.73315172368290 0.97238343955660 0.30496525732721 121.760 6 Sb 0.73315172368290 0.52761656044340 0.30496525732721 121.760 7 Sb 0.54702558947152 0.25000000000000 0.51932057553181 121.760 8 Sb 0.50965600521717 0.75000000000000 0.94420410699685 121.760 9 Sb 0.49034399478283 0.25000000000000 0.05579589300315 121.760 10 Sb 0.45297441052848 0.75000000000000 0.48067942446819 121.760 11 Sb 0.26684827631710 0.47238343955660 0.69503474267279 121.760 12 Sb 0.26684827631710 0.02761656044340 0.69503474267279 121.760 13 Sb 0.23315172368290 0.97238343955660 0.19503474267279 121.760 14 Sb 0.23315172368290 0.52761656044340 0.19503474267279 121.760 15 Sb 0.04702558947152 0.25000000000000 0.98067942446819 121.760 16 Sb 0.00965600521717 0.75000000000000 0.55579589300315 121.760 17 O 0.96056040214677 0.93479287500747 0.86794603246653 15.999 18 O 0.96056040214677 0.56520712499253 0.86794603246653 15.999 19 O 0.84573678664477 0.44552229443536 0.47130638471784 15.999 20 O 0.84573678664477 0.05447770556464 0.47130638471784 15.999 21 O 0.82689611404672 0.25000000000000 0.93126784690713 15.999 22 O 0.67310388595328 0.75000000000000 0.43126784690713 15.999 23 O 0.65426321335523 0.94552229443535 0.97130638471784 15.999 24 O 0.65426321335523 0.55447770556465 0.97130638471784 15.999 25 O 0.53943959785323 0.43479287500747 0.36794603246653 15.999 26 O 0.53943959785323 0.06520712499253 0.36794603246653 15.999 27 O 0.46056040214677 0.93479287500747 0.63205396753347 15.999 28 O 0.46056040214677 0.56520712499253 0.63205396753347 15.999 29 O 0.34573678664477 0.44552229443536 0.02869361528216 15.999 30 O 0.34573678664477 0.05447770556464 0.02869361528216 15.999 31 O 0.32689611404672 0.25000000000000 0.56873215309287 15.999 32 O 0.17310388595328 0.75000000000000 0.06873215309287 15.999 33 O 0.15426321335523 0.94552229443535 0.52869361528216 15.999 34 O 0.15426321335523 0.55447770556465 0.52869361528216 15.999 35 O 0.03943959785323 0.43479287500747 0.13205396753348 15.999 36 O 0.03943959785323 0.06520712499253 0.13205396753348 15.999 37 F 0.99188567514313 0.75000000000000 0.34649028341363 18.998 38 F 0.78469598899393 0.25000000000000 0.25126342051242 18.998 39 F 0.71530401100607 0.75000000000000 0.75126342051242 18.998 40 F 0.50811432485687 0.25000000000000 0.84649028341363 18.998 41 F 0.49188567514313 0.75000000000000 0.15350971658637 18.998 42 F 0.28469598899393 0.25000000000000 0.24873657948758 18.998 43 F 0.21530401100607 0.75000000000000 0.74873657948758 18.998 44 F 0.00811432485687 0.25000000000000 0.65350971658637 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 9.094801550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.413157600000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.620969909999999Atomic positions (fractional): 1 Sb 0.99034399478283 0.12500000000000 0.44420410699685 121.760 > 1 2 Sb 0.99034399478283 0.62500000000000 0.44420410699685 121.760 > 1 3 Sb 0.95297441052848 0.37500000000000 0.01932057553181 121.760 > 3 4 Sb 0.95297441052848 0.87500000000000 0.01932057553181 121.760 > 3 5 Sb 0.76684827631710 0.01380828022170 0.80496525732721 121.760 > 5 6 Sb 0.76684827631710 0.51380828022170 0.80496525732721 121.760 > 5 7 Sb 0.76684827631710 0.23619171977830 0.80496525732721 121.760 > 7 8 Sb 0.76684827631710 0.73619171977830 0.80496525732721 121.760 > 7 9 Sb 0.73315172368290 0.48619171977830 0.30496525732721 121.760 > 9 10 Sb 0.73315172368290 0.98619171977830 0.30496525732721 121.760 > 9 11 Sb 0.73315172368290 0.26380828022170 0.30496525732721 121.760 > 11 12 Sb 0.73315172368290 0.76380828022170 0.30496525732721 121.760 > 11 13 Sb 0.54702558947152 0.12500000000000 0.51932057553181 121.760 > 13 14 Sb 0.54702558947152 0.62500000000000 0.51932057553181 121.760 > 13 15 Sb 0.50965600521717 0.37500000000000 0.94420410699685 121.760 > 15 16 Sb 0.50965600521717 0.87500000000000 0.94420410699685 121.760 > 15 17 Sb 0.49034399478283 0.12500000000000 0.05579589300315 121.760 > 17 18 Sb 0.49034399478283 0.62500000000000 0.05579589300315 121.760 > 17 19 Sb 0.45297441052848 0.37500000000000 0.48067942446819 121.760 > 19 20 Sb 0.45297441052848 0.87500000000000 0.48067942446819 121.760 > 19 21 Sb 0.26684827631710 0.23619171977830 0.69503474267279 121.760 > 21 22 Sb 0.26684827631710 0.73619171977830 0.69503474267279 121.760 > 21 23 Sb 0.26684827631710 0.01380828022170 0.69503474267279 121.760 > 23 24 Sb 0.26684827631710 0.51380828022170 0.69503474267279 121.760 > 23 25 Sb 0.23315172368290 0.48619171977830 0.19503474267279 121.760 > 25 26 Sb 0.23315172368290 0.98619171977830 0.19503474267279 121.760 > 25 27 Sb 0.23315172368290 0.26380828022170 0.19503474267279 121.760 > 27 28 Sb 0.23315172368290 0.76380828022170 0.19503474267279 121.760 > 27 29 Sb 0.04702558947152 0.12500000000000 0.98067942446819 121.760 > 29 30 Sb 0.04702558947152 0.62500000000000 0.98067942446819 121.760 > 29 31 Sb 0.00965600521717 0.37500000000000 0.55579589300315 121.760 > 31 32 Sb 0.00965600521717 0.87500000000000 0.55579589300315 121.760 > 31 33 O 0.96056040214677 0.46739643750373 0.86794603246653 15.999 > 33 34 O 0.96056040214677 0.96739643750373 0.86794603246653 15.999 > 33 35 O 0.96056040214677 0.28260356249627 0.86794603246653 15.999 > 35 36 O 0.96056040214677 0.78260356249627 0.86794603246653 15.999 > 35 37 O 0.84573678664477 0.22276114721768 0.47130638471784 15.999 > 37 38 O 0.84573678664477 0.72276114721768 0.47130638471784 15.999 > 37 39 O 0.84573678664477 0.02723885278232 0.47130638471784 15.999 > 39 40 O 0.84573678664477 0.52723885278232 0.47130638471784 15.999 > 39 41 O 0.82689611404672 0.12500000000000 0.93126784690713 15.999 > 41 42 O 0.82689611404672 0.62500000000000 0.93126784690713 15.999 > 41 43 O 0.67310388595328 0.37500000000000 0.43126784690713 15.999 > 43 44 O 0.67310388595328 0.87500000000000 0.43126784690713 15.999 > 43 45 O 0.65426321335523 0.47276114721768 0.97130638471784 15.999 > 45 46 O 0.65426321335523 0.97276114721768 0.97130638471784 15.999 > 45 47 O 0.65426321335523 0.27723885278232 0.97130638471784 15.999 > 47 48 O 0.65426321335523 0.77723885278232 0.97130638471784 15.999 > 47 49 O 0.53943959785323 0.21739643750373 0.36794603246653 15.999 > 49 50 O 0.53943959785323 0.71739643750373 0.36794603246653 15.999 > 49 51 O 0.53943959785323 0.03260356249627 0.36794603246653 15.999 > 51 52 O 0.53943959785323 0.53260356249627 0.36794603246653 15.999 > 51 53 O 0.46056040214677 0.46739643750373 0.63205396753347 15.999 > 53 54 O 0.46056040214677 0.96739643750373 0.63205396753347 15.999 > 53 55 O 0.46056040214677 0.28260356249627 0.63205396753347 15.999 > 55 56 O 0.46056040214677 0.78260356249627 0.63205396753347 15.999 > 55 57 O 0.34573678664477 0.22276114721768 0.02869361528216 15.999 > 57 58 O 0.34573678664477 0.72276114721768 0.02869361528216 15.999 > 57 59 O 0.34573678664477 0.02723885278232 0.02869361528216 15.999 > 59 60 O 0.34573678664477 0.52723885278232 0.02869361528216 15.999 > 59 61 O 0.32689611404672 0.12500000000000 0.56873215309287 15.999 > 61 62 O 0.32689611404672 0.62500000000000 0.56873215309287 15.999 > 61 63 O 0.17310388595328 0.37500000000000 0.06873215309287 15.999 > 63 64 O 0.17310388595328 0.87500000000000 0.06873215309287 15.999 > 63 65 O 0.15426321335523 0.47276114721768 0.52869361528216 15.999 > 65 66 O 0.15426321335523 0.97276114721768 0.52869361528216 15.999 > 65 67 O 0.15426321335523 0.27723885278232 0.52869361528216 15.999 > 67 68 O 0.15426321335523 0.77723885278232 0.52869361528216 15.999 > 67 69 O 0.03943959785323 0.21739643750373 0.13205396753348 15.999 > 69 70 O 0.03943959785323 0.71739643750373 0.13205396753348 15.999 > 69 71 O 0.03943959785323 0.03260356249627 0.13205396753348 15.999 > 71 72 O 0.03943959785323 0.53260356249627 0.13205396753348 15.999 > 71 73 F 0.99188567514313 0.37500000000000 0.34649028341363 18.998 > 73 74 F 0.99188567514313 0.87500000000000 0.34649028341363 18.998 > 73 75 F 0.78469598899393 0.12500000000000 0.25126342051242 18.998 > 75 76 F 0.78469598899393 0.62500000000000 0.25126342051242 18.998 > 75 77 F 0.71530401100607 0.37500000000000 0.75126342051242 18.998 > 77 78 F 0.71530401100607 0.87500000000000 0.75126342051242 18.998 > 77 79 F 0.50811432485687 0.12500000000000 0.84649028341363 18.998 > 79 80 F 0.50811432485687 0.62500000000000 0.84649028341363 18.998 > 79 81 F 0.49188567514313 0.37500000000000 0.15350971658637 18.998 > 81 82 F 0.49188567514313 0.87500000000000 0.15350971658637 18.998 > 81 83 F 0.28469598899393 0.12500000000000 0.24873657948758 18.998 > 83 84 F 0.28469598899393 0.62500000000000 0.24873657948758 18.998 > 83 85 F 0.21530401100607 0.37500000000000 0.74873657948758 18.998 > 85 86 F 0.21530401100607 0.87500000000000 0.74873657948758 18.998 > 85 87 F 0.00811432485687 0.12500000000000 0.65350971658637 18.998 > 87 88 F 0.00811432485687 0.62500000000000 0.65350971658637 18.998 > 87----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.8452026 0.0000000 0.0000000 0.0000000 5.5396488 0.0000000 0.0000000 0.0000000 4.5477447-------------------------- Born effective charges -------------------------- 1 Sb 3.9960289 0.0000000 0.4498625 0.0000000 4.2192375 0.0000000 0.2390086 0.0000000 3.1912394 2 Sb 3.4203831 0.0000000 1.0910399 0.0000000 4.4852845 0.0000000 0.5454189 0.0000000 3.2518880 3 Sb 3.5330428 0.4755803 -0.0259054 0.3679745 4.5721347 0.2194407 0.1824534 0.0419256 2.9599686 4 Sb 3.5330428 -0.4755803 -0.0259054 -0.3679745 4.5721347 -0.2194407 0.1824534 -0.0419256 2.9599686 5 Sb 3.5330428 0.4755803 0.0259054 0.3679745 4.5721347 -0.2194407 -0.1824534 -0.0419256 2.9599686 6 Sb 3.5330428 -0.4755803 0.0259054 -0.3679745 4.5721347 0.2194407 -0.1824534 0.0419256 2.9599686 7 Sb 3.4203831 0.0000000 -1.0910399 0.0000000 4.4852845 0.0000000 -0.5454189 0.0000000 3.2518880 8 Sb 3.9960289 0.0000000 -0.4498625 0.0000000 4.2192375 0.0000000 -0.2390086 0.0000000 3.1912394 9 Sb 3.9960289 0.0000000 -0.4498625 0.0000000 4.2192375 0.0000000 -0.2390086 0.0000000 3.1912394 10 Sb 3.4203831 0.0000000 -1.0910399 0.0000000 4.4852845 0.0000000 -0.5454189 0.0000000 3.2518880 11 Sb 3.5330428 -0.4755803 0.0259054 -0.3679745 4.5721347 0.2194407 -0.1824534 0.0419256 2.9599686 12 Sb 3.5330428 0.4755803 0.0259054 0.3679745 4.5721347 -0.2194407 -0.1824534 -0.0419256 2.9599686 13 Sb 3.5330428 0.4755803 -0.0259054 0.3679745 4.5721347 0.2194407 0.1824534 0.0419256 2.9599686 14 Sb 3.5330428 -0.4755803 -0.0259054 -0.3679745 4.5721347 -0.2194407 0.1824534 -0.0419256 2.9599686 15 Sb 3.4203831 0.0000000 1.0910399 0.0000000 4.4852845 0.0000000 0.5454189 0.0000000 3.2518880 16 Sb 3.9960289 0.0000000 0.4498625 0.0000000 4.2192375 0.0000000 0.2390086 0.0000000 3.1912394 17 O -2.0102427 0.4284318 -0.6979859 0.2688956 -2.7587135 1.0747561 -0.2789673 0.7593451 -2.1349241 18 O -2.0102427 -0.4284318 -0.6979859 -0.2688956 -2.7587135 -1.0747561 -0.2789673 -0.7593451 -2.1349241 19 O -2.4779775 0.6289130 -0.6929626 0.8813375 -2.4588313 0.1466228 -0.4129950 0.2689703 -1.6378325 20 O -2.4779775 -0.6289130 -0.6929626 -0.8813375 -2.4588313 -0.1466228 -0.4129950 -0.2689703 -1.6378325 21 O -2.9103935 0.0000000 -1.0026697 0.0000000 -3.0237941 0.0000000 -0.8612020 0.0000000 -1.5004858 22 O -2.9103935 0.0000000 1.0026697 0.0000000 -3.0237941 0.0000000 0.8612020 0.0000000 -1.5004858 23 O -2.4779775 -0.6289130 0.6929626 -0.8813375 -2.4588313 0.1466228 0.4129950 0.2689703 -1.6378325 24 O -2.4779775 0.6289130 0.6929626 0.8813375 -2.4588313 -0.1466228 0.4129950 -0.2689703 -1.6378325 25 O -2.0102427 -0.4284318 0.6979859 -0.2688956 -2.7587135 1.0747561 0.2789673 0.7593451 -2.1349241 26 O -2.0102427 0.4284318 0.6979859 0.2688956 -2.7587135 -1.0747561 0.2789673 -0.7593451 -2.1349241 27 O -2.0102427 0.4284318 0.6979859 0.2688956 -2.7587135 -1.0747561 0.2789673 -0.7593451 -2.1349241 28 O -2.0102427 -0.4284318 0.6979859 -0.2688956 -2.7587135 1.0747561 0.2789673 0.7593451 -2.1349241 29 O -2.4779775 0.6289130 0.6929626 0.8813375 -2.4588313 -0.1466228 0.4129950 -0.2689703 -1.6378325 30 O -2.4779775 -0.6289130 0.6929626 -0.8813375 -2.4588313 0.1466228 0.4129950 0.2689703 -1.6378325 31 O -2.9103935 0.0000000 1.0026697 0.0000000 -3.0237941 0.0000000 0.8612020 0.0000000 -1.5004858 32 O -2.9103935 0.0000000 -1.0026697 0.0000000 -3.0237941 0.0000000 -0.8612020 0.0000000 -1.5004858 33 O -2.4779775 -0.6289130 -0.6929626 -0.8813375 -2.4588313 -0.1466228 -0.4129950 -0.2689703 -1.6378325 34 O -2.4779775 0.6289130 -0.6929626 0.8813375 -2.4588313 0.1466228 -0.4129950 0.2689703 -1.6378325 35 O -2.0102427 -0.4284318 -0.6979859 -0.2688956 -2.7587135 -1.0747561 -0.2789673 -0.7593451 -2.1349241 36 O -2.0102427 0.4284318 -0.6979859 0.2688956 -2.7587135 1.0747561 -0.2789673 0.7593451 -2.1349241 37 F -1.4084055 0.0000000 -0.4417079 0.0000000 -1.0961268 0.0000000 0.1436004 0.0000000 -2.3452111 38 F -1.1872581 0.0000000 -0.2714742 0.0000000 -3.2937809 0.0000000 -0.1826007 0.0000000 -0.9718547 39 F -1.1872581 0.0000000 0.2714742 0.0000000 -3.2937809 0.0000000 0.1826007 0.0000000 -0.9718547 40 F -1.4084055 0.0000000 0.4417079 0.0000000 -1.0961268 0.0000000 -0.1436004 0.0000000 -2.3452111 41 F -1.4084055 0.0000000 0.4417079 0.0000000 -1.0961268 0.0000000 -0.1436004 0.0000000 -2.3452111 42 F -1.1872581 0.0000000 0.2714742 0.0000000 -3.2937809 0.0000000 0.1826007 0.0000000 -0.9718547 43 F -1.1872581 0.0000000 -0.2714742 0.0000000 -3.2937809 0.0000000 -0.1826007 0.0000000 -0.9718547 44 F -1.4084055 0.0000000 -0.4417079 0.0000000 -1.0961268 0.0000000 0.1436004 0.0000000 -2.3452111----------------------------------------------------------------------------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[ 37, 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[ 73, 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[ 75, 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: -0.00000001 (zxz) -0.00000001 (zxz) -0.00000001 (zzx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 00:14:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 00:14:26]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.094801550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.706578800000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.620969909999999Atomic positions (fractional): 1 Sb 0.99034399478283 0.25000000000000 0.44420410699685 121.760 2 Sb 0.95297441052848 0.75000000000000 0.01932057553181 121.760 3 Sb 0.76684827631710 0.02761656044340 0.80496525732721 121.760 4 Sb 0.76684827631710 0.47238343955660 0.80496525732721 121.760 5 Sb 0.73315172368290 0.97238343955660 0.30496525732721 121.760 6 Sb 0.73315172368290 0.52761656044340 0.30496525732721 121.760 7 Sb 0.54702558947152 0.25000000000000 0.51932057553181 121.760 8 Sb 0.50965600521717 0.75000000000000 0.94420410699685 121.760 9 Sb 0.49034399478283 0.25000000000000 0.05579589300315 121.760 10 Sb 0.45297441052848 0.75000000000000 0.48067942446819 121.760 11 Sb 0.26684827631710 0.47238343955660 0.69503474267279 121.760 12 Sb 0.26684827631710 0.02761656044340 0.69503474267279 121.760 13 Sb 0.23315172368290 0.97238343955660 0.19503474267279 121.760 14 Sb 0.23315172368290 0.52761656044340 0.19503474267279 121.760 15 Sb 0.04702558947152 0.25000000000000 0.98067942446819 121.760 16 Sb 0.00965600521717 0.75000000000000 0.55579589300315 121.760 17 O 0.96056040214677 0.93479287500747 0.86794603246653 15.999 18 O 0.96056040214677 0.56520712499253 0.86794603246653 15.999 19 O 0.84573678664477 0.44552229443536 0.47130638471784 15.999 20 O 0.84573678664477 0.05447770556464 0.47130638471784 15.999 21 O 0.82689611404672 0.25000000000000 0.93126784690713 15.999 22 O 0.67310388595328 0.75000000000000 0.43126784690713 15.999 23 O 0.65426321335523 0.94552229443535 0.97130638471784 15.999 24 O 0.65426321335523 0.55447770556465 0.97130638471784 15.999 25 O 0.53943959785323 0.43479287500747 0.36794603246653 15.999 26 O 0.53943959785323 0.06520712499253 0.36794603246653 15.999 27 O 0.46056040214677 0.93479287500747 0.63205396753347 15.999 28 O 0.46056040214677 0.56520712499253 0.63205396753347 15.999 29 O 0.34573678664477 0.44552229443536 0.02869361528216 15.999 30 O 0.34573678664477 0.05447770556464 0.02869361528216 15.999 31 O 0.32689611404672 0.25000000000000 0.56873215309287 15.999 32 O 0.17310388595328 0.75000000000000 0.06873215309287 15.999 33 O 0.15426321335523 0.94552229443535 0.52869361528216 15.999 34 O 0.15426321335523 0.55447770556465 0.52869361528216 15.999 35 O 0.03943959785323 0.43479287500747 0.13205396753348 15.999 36 O 0.03943959785323 0.06520712499253 0.13205396753348 15.999 37 F 0.99188567514313 0.75000000000000 0.34649028341363 18.998 38 F 0.78469598899393 0.25000000000000 0.25126342051242 18.998 39 F 0.71530401100607 0.75000000000000 0.75126342051242 18.998 40 F 0.50811432485687 0.25000000000000 0.84649028341363 18.998 41 F 0.49188567514313 0.75000000000000 0.15350971658637 18.998 42 F 0.28469598899393 0.25000000000000 0.24873657948758 18.998 43 F 0.21530401100607 0.75000000000000 0.74873657948758 18.998 44 F 0.00811432485687 0.25000000000000 0.65350971658637 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 9.094801550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.413157600000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.620969909999999Atomic positions (fractional): 1 Sb 0.99034399478283 0.12500000000000 0.44420410699685 121.760 > 1 2 Sb 0.99034399478283 0.62500000000000 0.44420410699685 121.760 > 1 3 Sb 0.95297441052848 0.37500000000000 0.01932057553181 121.760 > 3 4 Sb 0.95297441052848 0.87500000000000 0.01932057553181 121.760 > 3 5 Sb 0.76684827631710 0.01380828022170 0.80496525732721 121.760 > 5 6 Sb 0.76684827631710 0.51380828022170 0.80496525732721 121.760 > 5 7 Sb 0.76684827631710 0.23619171977830 0.80496525732721 121.760 > 7 8 Sb 0.76684827631710 0.73619171977830 0.80496525732721 121.760 > 7 9 Sb 0.73315172368290 0.48619171977830 0.30496525732721 121.760 > 9 10 Sb 0.73315172368290 0.98619171977830 0.30496525732721 121.760 > 9 11 Sb 0.73315172368290 0.26380828022170 0.30496525732721 121.760 > 11 12 Sb 0.73315172368290 0.76380828022170 0.30496525732721 121.760 > 11 13 Sb 0.54702558947152 0.12500000000000 0.51932057553181 121.760 > 13 14 Sb 0.54702558947152 0.62500000000000 0.51932057553181 121.760 > 13 15 Sb 0.50965600521717 0.37500000000000 0.94420410699685 121.760 > 15 16 Sb 0.50965600521717 0.87500000000000 0.94420410699685 121.760 > 15 17 Sb 0.49034399478283 0.12500000000000 0.05579589300315 121.760 > 17 18 Sb 0.49034399478283 0.62500000000000 0.05579589300315 121.760 > 17 19 Sb 0.45297441052848 0.37500000000000 0.48067942446819 121.760 > 19 20 Sb 0.45297441052848 0.87500000000000 0.48067942446819 121.760 > 19 21 Sb 0.26684827631710 0.23619171977830 0.69503474267279 121.760 > 21 22 Sb 0.26684827631710 0.73619171977830 0.69503474267279 121.760 > 21 23 Sb 0.26684827631710 0.01380828022170 0.69503474267279 121.760 > 23 24 Sb 0.26684827631710 0.51380828022170 0.69503474267279 121.760 > 23 25 Sb 0.23315172368290 0.48619171977830 0.19503474267279 121.760 > 25 26 Sb 0.23315172368290 0.98619171977830 0.19503474267279 121.760 > 25 27 Sb 0.23315172368290 0.26380828022170 0.19503474267279 121.760 > 27 28 Sb 0.23315172368290 0.76380828022170 0.19503474267279 121.760 > 27 29 Sb 0.04702558947152 0.12500000000000 0.98067942446819 121.760 > 29 30 Sb 0.04702558947152 0.62500000000000 0.98067942446819 121.760 > 29 31 Sb 0.00965600521717 0.37500000000000 0.55579589300315 121.760 > 31 32 Sb 0.00965600521717 0.87500000000000 0.55579589300315 121.760 > 31 33 O 0.96056040214677 0.46739643750373 0.86794603246653 15.999 > 33 34 O 0.96056040214677 0.96739643750373 0.86794603246653 15.999 > 33 35 O 0.96056040214677 0.28260356249627 0.86794603246653 15.999 > 35 36 O 0.96056040214677 0.78260356249627 0.86794603246653 15.999 > 35 37 O 0.84573678664477 0.22276114721768 0.47130638471784 15.999 > 37 38 O 0.84573678664477 0.72276114721768 0.47130638471784 15.999 > 37 39 O 0.84573678664477 0.02723885278232 0.47130638471784 15.999 > 39 40 O 0.84573678664477 0.52723885278232 0.47130638471784 15.999 > 39 41 O 0.82689611404672 0.12500000000000 0.93126784690713 15.999 > 41 42 O 0.82689611404672 0.62500000000000 0.93126784690713 15.999 > 41 43 O 0.67310388595328 0.37500000000000 0.43126784690713 15.999 > 43 44 O 0.67310388595328 0.87500000000000 0.43126784690713 15.999 > 43 45 O 0.65426321335523 0.47276114721768 0.97130638471784 15.999 > 45 46 O 0.65426321335523 0.97276114721768 0.97130638471784 15.999 > 45 47 O 0.65426321335523 0.27723885278232 0.97130638471784 15.999 > 47 48 O 0.65426321335523 0.77723885278232 0.97130638471784 15.999 > 47 49 O 0.53943959785323 0.21739643750373 0.36794603246653 15.999 > 49 50 O 0.53943959785323 0.71739643750373 0.36794603246653 15.999 > 49 51 O 0.53943959785323 0.03260356249627 0.36794603246653 15.999 > 51 52 O 0.53943959785323 0.53260356249627 0.36794603246653 15.999 > 51 53 O 0.46056040214677 0.46739643750373 0.63205396753347 15.999 > 53 54 O 0.46056040214677 0.96739643750373 0.63205396753347 15.999 > 53 55 O 0.46056040214677 0.28260356249627 0.63205396753347 15.999 > 55 56 O 0.46056040214677 0.78260356249627 0.63205396753347 15.999 > 55 57 O 0.34573678664477 0.22276114721768 0.02869361528216 15.999 > 57 58 O 0.34573678664477 0.72276114721768 0.02869361528216 15.999 > 57 59 O 0.34573678664477 0.02723885278232 0.02869361528216 15.999 > 59 60 O 0.34573678664477 0.52723885278232 0.02869361528216 15.999 > 59 61 O 0.32689611404672 0.12500000000000 0.56873215309287 15.999 > 61 62 O 0.32689611404672 0.62500000000000 0.56873215309287 15.999 > 61 63 O 0.17310388595328 0.37500000000000 0.06873215309287 15.999 > 63 64 O 0.17310388595328 0.87500000000000 0.06873215309287 15.999 > 63 65 O 0.15426321335523 0.47276114721768 0.52869361528216 15.999 > 65 66 O 0.15426321335523 0.97276114721768 0.52869361528216 15.999 > 65 67 O 0.15426321335523 0.27723885278232 0.52869361528216 15.999 > 67 68 O 0.15426321335523 0.77723885278232 0.52869361528216 15.999 > 67 69 O 0.03943959785323 0.21739643750373 0.13205396753348 15.999 > 69 70 O 0.03943959785323 0.71739643750373 0.13205396753348 15.999 > 69 71 O 0.03943959785323 0.03260356249627 0.13205396753348 15.999 > 71 72 O 0.03943959785323 0.53260356249627 0.13205396753348 15.999 > 71 73 F 0.99188567514313 0.37500000000000 0.34649028341363 18.998 > 73 74 F 0.99188567514313 0.87500000000000 0.34649028341363 18.998 > 73 75 F 0.78469598899393 0.12500000000000 0.25126342051242 18.998 > 75 76 F 0.78469598899393 0.62500000000000 0.25126342051242 18.998 > 75 77 F 0.71530401100607 0.37500000000000 0.75126342051242 18.998 > 77 78 F 0.71530401100607 0.87500000000000 0.75126342051242 18.998 > 77 79 F 0.50811432485687 0.12500000000000 0.84649028341363 18.998 > 79 80 F 0.50811432485687 0.62500000000000 0.84649028341363 18.998 > 79 81 F 0.49188567514313 0.37500000000000 0.15350971658637 18.998 > 81 82 F 0.49188567514313 0.87500000000000 0.15350971658637 18.998 > 81 83 F 0.28469598899393 0.12500000000000 0.24873657948758 18.998 > 83 84 F 0.28469598899393 0.62500000000000 0.24873657948758 18.998 > 83 85 F 0.21530401100607 0.37500000000000 0.74873657948758 18.998 > 85 86 F 0.21530401100607 0.87500000000000 0.74873657948758 18.998 > 85 87 F 0.00811432485687 0.12500000000000 0.65350971658637 18.998 > 87 88 F 0.00811432485687 0.62500000000000 0.65350971658637 18.998 > 87----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.8452026 0.0000000 0.0000000 0.0000000 5.5396488 0.0000000 0.0000000 0.0000000 4.5477447-------------------------- Born effective charges -------------------------- 1 Sb 3.9960289 0.0000000 0.4498625 0.0000000 4.2192375 0.0000000 0.2390086 0.0000000 3.1912394 2 Sb 3.4203831 0.0000000 1.0910399 0.0000000 4.4852845 0.0000000 0.5454189 0.0000000 3.2518880 3 Sb 3.5330428 0.4755803 -0.0259054 0.3679745 4.5721347 0.2194407 0.1824534 0.0419256 2.9599686 4 Sb 3.5330428 -0.4755803 -0.0259054 -0.3679745 4.5721347 -0.2194407 0.1824534 -0.0419256 2.9599686 5 Sb 3.5330428 0.4755803 0.0259054 0.3679745 4.5721347 -0.2194407 -0.1824534 -0.0419256 2.9599686 6 Sb 3.5330428 -0.4755803 0.0259054 -0.3679745 4.5721347 0.2194407 -0.1824534 0.0419256 2.9599686 7 Sb 3.4203831 0.0000000 -1.0910399 0.0000000 4.4852845 0.0000000 -0.5454189 0.0000000 3.2518880 8 Sb 3.9960289 0.0000000 -0.4498625 0.0000000 4.2192375 0.0000000 -0.2390086 0.0000000 3.1912394 9 Sb 3.9960289 0.0000000 -0.4498625 0.0000000 4.2192375 0.0000000 -0.2390086 0.0000000 3.1912394 10 Sb 3.4203831 0.0000000 -1.0910399 0.0000000 4.4852845 0.0000000 -0.5454189 0.0000000 3.2518880 11 Sb 3.5330428 -0.4755803 0.0259054 -0.3679745 4.5721347 0.2194407 -0.1824534 0.0419256 2.9599686 12 Sb 3.5330428 0.4755803 0.0259054 0.3679745 4.5721347 -0.2194407 -0.1824534 -0.0419256 2.9599686 13 Sb 3.5330428 0.4755803 -0.0259054 0.3679745 4.5721347 0.2194407 0.1824534 0.0419256 2.9599686 14 Sb 3.5330428 -0.4755803 -0.0259054 -0.3679745 4.5721347 -0.2194407 0.1824534 -0.0419256 2.9599686 15 Sb 3.4203831 0.0000000 1.0910399 0.0000000 4.4852845 0.0000000 0.5454189 0.0000000 3.2518880 16 Sb 3.9960289 0.0000000 0.4498625 0.0000000 4.2192375 0.0000000 0.2390086 0.0000000 3.1912394 17 O -2.0102427 0.4284318 -0.6979859 0.2688956 -2.7587135 1.0747561 -0.2789673 0.7593451 -2.1349241 18 O -2.0102427 -0.4284318 -0.6979859 -0.2688956 -2.7587135 -1.0747561 -0.2789673 -0.7593451 -2.1349241 19 O -2.4779775 0.6289130 -0.6929626 0.8813375 -2.4588313 0.1466228 -0.4129950 0.2689703 -1.6378325 20 O -2.4779775 -0.6289130 -0.6929626 -0.8813375 -2.4588313 -0.1466228 -0.4129950 -0.2689703 -1.6378325 21 O -2.9103935 0.0000000 -1.0026697 0.0000000 -3.0237941 0.0000000 -0.8612020 0.0000000 -1.5004858 22 O -2.9103935 0.0000000 1.0026697 0.0000000 -3.0237941 0.0000000 0.8612020 0.0000000 -1.5004858 23 O -2.4779775 -0.6289130 0.6929626 -0.8813375 -2.4588313 0.1466228 0.4129950 0.2689703 -1.6378325 24 O -2.4779775 0.6289130 0.6929626 0.8813375 -2.4588313 -0.1466228 0.4129950 -0.2689703 -1.6378325 25 O -2.0102427 -0.4284318 0.6979859 -0.2688956 -2.7587135 1.0747561 0.2789673 0.7593451 -2.1349241 26 O -2.0102427 0.4284318 0.6979859 0.2688956 -2.7587135 -1.0747561 0.2789673 -0.7593451 -2.1349241 27 O -2.0102427 0.4284318 0.6979859 0.2688956 -2.7587135 -1.0747561 0.2789673 -0.7593451 -2.1349241 28 O -2.0102427 -0.4284318 0.6979859 -0.2688956 -2.7587135 1.0747561 0.2789673 0.7593451 -2.1349241 29 O -2.4779775 0.6289130 0.6929626 0.8813375 -2.4588313 -0.1466228 0.4129950 -0.2689703 -1.6378325 30 O -2.4779775 -0.6289130 0.6929626 -0.8813375 -2.4588313 0.1466228 0.4129950 0.2689703 -1.6378325 31 O -2.9103935 0.0000000 1.0026697 0.0000000 -3.0237941 0.0000000 0.8612020 0.0000000 -1.5004858 32 O -2.9103935 0.0000000 -1.0026697 0.0000000 -3.0237941 0.0000000 -0.8612020 0.0000000 -1.5004858 33 O -2.4779775 -0.6289130 -0.6929626 -0.8813375 -2.4588313 -0.1466228 -0.4129950 -0.2689703 -1.6378325 34 O -2.4779775 0.6289130 -0.6929626 0.8813375 -2.4588313 0.1466228 -0.4129950 0.2689703 -1.6378325 35 O -2.0102427 -0.4284318 -0.6979859 -0.2688956 -2.7587135 -1.0747561 -0.2789673 -0.7593451 -2.1349241 36 O -2.0102427 0.4284318 -0.6979859 0.2688956 -2.7587135 1.0747561 -0.2789673 0.7593451 -2.1349241 37 F -1.4084055 0.0000000 -0.4417079 0.0000000 -1.0961268 0.0000000 0.1436004 0.0000000 -2.3452111 38 F -1.1872581 0.0000000 -0.2714742 0.0000000 -3.2937809 0.0000000 -0.1826007 0.0000000 -0.9718547 39 F -1.1872581 0.0000000 0.2714742 0.0000000 -3.2937809 0.0000000 0.1826007 0.0000000 -0.9718547 40 F -1.4084055 0.0000000 0.4417079 0.0000000 -1.0961268 0.0000000 -0.1436004 0.0000000 -2.3452111 41 F -1.4084055 0.0000000 0.4417079 0.0000000 -1.0961268 0.0000000 -0.1436004 0.0000000 -2.3452111 42 F -1.1872581 0.0000000 0.2714742 0.0000000 -3.2937809 0.0000000 0.1826007 0.0000000 -0.9718547 43 F -1.1872581 0.0000000 -0.2714742 0.0000000 -3.2937809 0.0000000 -0.1826007 0.0000000 -0.9718547 44 F -1.4084055 0.0000000 -0.4417079 0.0000000 -1.0961268 0.0000000 0.1436004 0.0000000 -2.3452111----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (zxz) -0.00000001 (zxz) -0.00000001 (zzx)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 6 5 ]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: 0.47, Number of G-points: 319, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/36) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.935 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.611 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.084 ( 0.000 0.000 0.000) 0.000 9.181 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.467 ( 0.000 0.000 0.000) 0.000 10.473 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 12.131 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 0.000) 0.000 12.240 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.583 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 12.820 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.223 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.558 ( 0.000 0.000 0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.833 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 13.906 ( 0.000 0.000 0.000) 0.000 14.076 ( 0.000 0.000 0.000) 0.000 14.240 ( 0.000 0.000 0.000) 0.000 14.310 ( 0.000 0.000 0.000) 0.000 14.879 ( 0.000 0.000 0.000) 0.000 14.901 ( 0.000 0.000 0.000) 0.000 14.914 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 15.939 ( 0.000 0.000 0.000) 0.000 16.350 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 16.698 ( 0.000 0.000 0.000) 0.000 16.750 ( 0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 18.404 ( 0.000 0.000 0.000) 0.000 18.419 ( 0.000 0.000 0.000) 0.000 18.527 ( 0.000 0.000 0.000) 0.000 18.540 ( 0.000 0.000 0.000) 0.000 18.568 ( 0.000 0.000 0.000) 0.000 18.705 ( 0.000 0.000 0.000) 0.000 19.316 ( 0.000 0.000 0.000) 0.000 19.408 ( 0.000 0.000 0.000) 0.000 19.986 ( 0.000 0.000 0.000) 0.000 20.336 ( 0.000 0.000 0.000) 0.000 20.351 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/36) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.170 ( 8.705 0.000 0.000) 8.705 0.466 ( 20.480 0.000 0.000) 20.480 0.562 ( 22.595 0.000 0.000) 22.595 0.994 ( 4.924 0.000 0.000) 4.924 1.246 ( 4.009 0.000 0.000) 4.009 1.349 ( -4.006 0.000 0.000) 4.006 1.386 ( -13.191 0.000 0.000) 13.191 1.422 ( -6.969 0.000 0.000) 6.969 1.604 ( 2.354 0.000 0.000) 2.354 1.650 ( 4.680 0.000 0.000) 4.680 1.838 ( -6.061 0.000 0.000) 6.061 1.839 ( -8.304 0.000 0.000) 8.304 2.072 ( 9.667 0.000 0.000) 9.667 2.094 ( -0.332 0.000 0.000) 0.332 2.101 ( 1.581 0.000 0.000) 1.581 2.107 ( -3.521 0.000 0.000) 3.521 2.324 ( 4.319 0.000 0.000) 4.319 2.336 ( -8.143 0.000 0.000) 8.143 2.358 ( 8.437 0.000 0.000) 8.437 2.440 ( 6.350 0.000 0.000) 6.350 2.509 ( 0.172 0.000 0.000) 0.172 2.567 ( -4.690 0.000 0.000) 4.690 2.678 ( -3.510 0.000 0.000) 3.510 2.678 ( 10.445 0.000 0.000) 10.445 2.824 ( 5.172 0.000 0.000) 5.172 2.843 ( -5.495 0.000 0.000) 5.495 2.878 ( 0.839 0.000 0.000) 0.839 3.035 ( 6.029 0.000 0.000) 6.029 3.051 ( -3.263 0.000 0.000) 3.263 3.253 ( -1.619 0.000 0.000) 1.619 3.272 ( 3.305 0.000 0.000) 3.305 3.395 ( -7.738 0.000 0.000) 7.738 3.412 ( -10.740 0.000 0.000) 10.740 3.483 ( -9.493 0.000 0.000) 9.493 3.609 ( -6.068 0.000 0.000) 6.068 3.671 ( -1.060 0.000 0.000) 1.060 3.801 ( 3.648 0.000 0.000) 3.648 3.843 ( 3.718 0.000 0.000) 3.718 3.885 ( 4.331 0.000 0.000) 4.331 3.966 ( -0.979 0.000 0.000) 0.979 4.202 ( 6.560 0.000 0.000) 6.560 4.362 ( 0.662 0.000 0.000) 0.662 4.499 ( -3.883 0.000 0.000) 3.883 4.520 ( 2.289 0.000 0.000) 2.289 4.542 ( -2.957 0.000 0.000) 2.957 4.610 ( -0.439 0.000 0.000) 0.439 4.859 ( -1.228 0.000 0.000) 1.228 4.940 ( 0.910 0.000 0.000) 0.910 4.987 ( -4.527 0.000 0.000) 4.527 5.008 ( 3.126 0.000 0.000) 3.126 5.105 ( -1.070 0.000 0.000) 1.070 5.199 ( -4.562 0.000 0.000) 4.562 5.263 ( 3.378 0.000 0.000) 3.378 5.290 ( 4.651 0.000 0.000) 4.651 5.394 ( 0.294 0.000 0.000) 0.294 5.410 ( 3.404 0.000 0.000) 3.404 5.772 ( -0.250 0.000 0.000) 0.250 5.842 ( -3.332 0.000 0.000) 3.332 5.970 ( -3.125 0.000 0.000) 3.125 6.009 ( -6.618 0.000 0.000) 6.618 6.096 ( -2.496 0.000 0.000) 2.496 6.163 ( -5.173 0.000 0.000) 5.173 6.198 ( -7.978 0.000 0.000) 7.978 6.290 ( -8.611 0.000 0.000) 8.611 6.392 ( 2.304 0.000 0.000) 2.304 6.516 ( 5.483 0.000 0.000) 5.483 6.541 ( -2.219 0.000 0.000) 2.219 6.672 ( 2.666 0.000 0.000) 2.666 6.793 ( 5.246 0.000 0.000) 5.246 6.879 ( 5.731 0.000 0.000) 5.731 7.022 ( -1.442 0.000 0.000) 1.442 7.218 ( -2.381 0.000 0.000) 2.381 7.968 ( 1.672 0.000 0.000) 1.672 8.040 ( 6.061 0.000 0.000) 6.061 8.104 ( 1.665 0.000 0.000) 1.665 8.162 ( -1.121 0.000 0.000) 1.121 8.221 ( -1.165 0.000 0.000) 1.165 8.534 ( -3.977 0.000 0.000) 3.977 9.049 ( 2.254 0.000 0.000) 2.254 9.134 ( 3.685 0.000 0.000) 3.685 9.241 ( 3.993 0.000 0.000) 3.993 9.350 ( -1.415 0.000 0.000) 1.415 9.622 ( 2.460 0.000 0.000) 2.460 9.806 ( -2.081 0.000 0.000) 2.081 10.359 ( 1.915 0.000 0.000) 1.915 10.467 ( -0.151 0.000 0.000) 0.151 10.511 ( 3.233 0.000 0.000) 3.233 10.850 ( -3.758 0.000 0.000) 3.758 11.839 ( 0.873 0.000 0.000) 0.873 11.938 ( -2.981 0.000 0.000) 2.981 12.146 ( -0.446 0.000 0.000) 0.446 12.163 ( 1.766 0.000 0.000) 1.766 12.253 ( 1.122 0.000 0.000) 1.122 12.334 ( 0.115 0.000 0.000) 0.115 12.608 ( 2.037 0.000 0.000) 2.037 12.621 ( 1.304 0.000 0.000) 1.304 12.843 ( 1.903 0.000 0.000) 1.903 12.946 ( -1.443 0.000 0.000) 1.443 13.028 ( -0.313 0.000 0.000) 0.313 13.124 ( -3.250 0.000 0.000) 3.250 13.225 ( 0.201 0.000 0.000) 0.201 13.246 ( -0.505 0.000 0.000) 0.505 13.581 ( 2.057 0.000 0.000) 2.057 13.615 ( -1.615 0.000 0.000) 1.615 13.635 ( -2.525 0.000 0.000) 2.525 13.805 ( -2.476 0.000 0.000) 2.476 13.927 ( 3.135 0.000 0.000) 3.135 13.963 ( 2.913 0.000 0.000) 2.913 14.090 ( 1.283 0.000 0.000) 1.283 14.224 ( -1.405 0.000 0.000) 1.405 14.431 ( 10.541 0.000 0.000) 10.541 14.868 ( -0.687 0.000 0.000) 0.687 14.900 ( -0.149 0.000 0.000) 0.149 15.384 ( -10.373 0.000 0.000) 10.373 16.023 ( 7.116 0.000 0.000) 7.116 16.394 ( 3.782 0.000 0.000) 3.782 16.412 ( 2.584 0.000 0.000) 2.584 16.586 ( -5.339 0.000 0.000) 5.339 16.667 ( -2.689 0.000 0.000) 2.689 16.717 ( -2.943 0.000 0.000) 2.943 18.258 ( 5.718 0.000 0.000) 5.718 18.426 ( 0.691 0.000 0.000) 0.691 18.460 ( 4.169 0.000 0.000) 4.169 18.528 ( -1.111 0.000 0.000) 1.111 18.585 ( 1.394 0.000 0.000) 1.394 18.692 ( -1.110 0.000 0.000) 1.110 19.288 ( -2.356 0.000 0.000) 2.356 19.358 ( -4.361 0.000 0.000) 4.361 19.975 ( 0.744 0.000 0.000) 0.744 20.012 ( 2.057 0.000 0.000) 2.057 20.322 ( -0.906 0.000 0.000) 0.906 20.542 ( -4.319 0.000 0.000) 4.319======================= Grid point 2 (3/36) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( 15.195 0.000 0.000) 15.195 0.764 ( -9.925 0.000 0.000) 9.925 0.886 ( 17.338 0.000 0.000) 17.338 1.121 ( 5.738 0.000 0.000) 5.738 1.215 ( -11.817 0.000 0.000) 11.817 1.230 ( 4.532 0.000 0.000) 4.532 1.246 ( -5.114 0.000 0.000) 5.114 1.303 ( 0.217 0.000 0.000) 0.217 1.635 ( 0.699 0.000 0.000) 0.699 1.682 ( -4.692 0.000 0.000) 4.692 1.808 ( 4.397 0.000 0.000) 4.397 1.836 ( 10.840 0.000 0.000) 10.840 2.046 ( -12.606 0.000 0.000) 12.606 2.068 ( -6.342 0.000 0.000) 6.342 2.073 ( 0.232 0.000 0.000) 0.232 2.088 ( -0.601 0.000 0.000) 0.601 2.350 ( 9.441 0.000 0.000) 9.441 2.398 ( 2.904 0.000 0.000) 2.904 2.443 ( 0.464 0.000 0.000) 0.464 2.468 ( -3.688 0.000 0.000) 3.688 2.523 ( 1.030 0.000 0.000) 1.030 2.531 ( 1.134 0.000 0.000) 1.134 2.657 ( 0.806 0.000 0.000) 0.806 2.710 ( -5.292 0.000 0.000) 5.292 2.907 ( 1.976 0.000 0.000) 1.976 2.941 ( 12.205 0.000 0.000) 12.205 2.970 ( -3.619 0.000 0.000) 3.619 2.991 ( 10.033 0.000 0.000) 10.033 3.150 ( 0.605 0.000 0.000) 0.605 3.179 ( -3.664 0.000 0.000) 3.664 3.195 ( -10.149 0.000 0.000) 10.149 3.246 ( -11.682 0.000 0.000) 11.682 3.250 ( 1.385 0.000 0.000) 1.385 3.348 ( -0.882 0.000 0.000) 0.882 3.497 ( -0.004 0.000 0.000) 0.004 3.598 ( -5.277 0.000 0.000) 5.277 3.868 ( 2.211 0.000 0.000) 2.211 3.890 ( 0.444 0.000 0.000) 0.444 3.948 ( 1.161 0.000 0.000) 1.161 3.955 ( -0.105 0.000 0.000) 0.105 4.350 ( 5.695 0.000 0.000) 5.695 4.396 ( 2.492 0.000 0.000) 2.492 4.429 ( -2.323 0.000 0.000) 2.323 4.466 ( -3.615 0.000 0.000) 3.615 4.569 ( 1.813 0.000 0.000) 1.813 4.596 ( -0.804 0.000 0.000) 0.804 4.838 ( -0.611 0.000 0.000) 0.611 4.865 ( -3.591 0.000 0.000) 3.591 5.003 ( 2.403 0.000 0.000) 2.403 5.039 ( -0.422 0.000 0.000) 0.422 5.095 ( 0.230 0.000 0.000) 0.230 5.122 ( -2.338 0.000 0.000) 2.338 5.345 ( 3.693 0.000 0.000) 3.693 5.392 ( 4.017 0.000 0.000) 4.017 5.397 ( -0.632 0.000 0.000) 0.632 5.445 ( -0.468 0.000 0.000) 0.468 5.752 ( -1.348 0.000 0.000) 1.348 5.761 ( -2.898 0.000 0.000) 2.898 5.902 ( -2.031 0.000 0.000) 2.031 5.909 ( -1.947 0.000 0.000) 1.947 6.041 ( -1.759 0.000 0.000) 1.759 6.055 ( -3.815 0.000 0.000) 3.815 6.080 ( -1.291 0.000 0.000) 1.291 6.126 ( -5.321 0.000 0.000) 5.321 6.444 ( 2.290 0.000 0.000) 2.290 6.493 ( -2.195 0.000 0.000) 2.195 6.628 ( 4.372 0.000 0.000) 4.372 6.692 ( -1.110 0.000 0.000) 1.110 6.890 ( 3.595 0.000 0.000) 3.595 6.954 ( -1.663 0.000 0.000) 1.663 7.034 ( 4.888 0.000 0.000) 4.888 7.143 ( -4.332 0.000 0.000) 4.332 8.026 ( 3.502 0.000 0.000) 3.502 8.108 ( -3.539 0.000 0.000) 3.539 8.137 ( 2.337 0.000 0.000) 2.337 8.185 ( -2.025 0.000 0.000) 2.025 8.224 ( 8.655 0.000 0.000) 8.655 8.407 ( -7.399 0.000 0.000) 7.399 9.130 ( 4.290 0.000 0.000) 4.290 9.189 ( 0.023 0.000 0.000) 0.023 9.309 ( 1.670 0.000 0.000) 1.670 9.323 ( -0.564 0.000 0.000) 0.564 9.684 ( 3.000 0.000 0.000) 3.000 9.749 ( -2.903 0.000 0.000) 2.903 10.410 ( 2.372 0.000 0.000) 2.372 10.452 ( -1.322 0.000 0.000) 1.322 10.611 ( 5.582 0.000 0.000) 5.582 10.741 ( -5.817 0.000 0.000) 5.817 11.857 ( 0.795 0.000 0.000) 0.795 11.883 ( -1.806 0.000 0.000) 1.806 12.154 ( 1.148 0.000 0.000) 1.148 12.178 ( -0.506 0.000 0.000) 0.506 12.287 ( 1.813 0.000 0.000) 1.813 12.322 ( -1.203 0.000 0.000) 1.203 12.652 ( 1.215 0.000 0.000) 1.215 12.652 ( 1.245 0.000 0.000) 1.245 12.890 ( 1.903 0.000 0.000) 1.903 12.917 ( -0.957 0.000 0.000) 0.957 13.019 ( -0.145 0.000 0.000) 0.145 13.047 ( -2.938 0.000 0.000) 2.938 13.230 ( 0.208 0.000 0.000) 0.208 13.236 ( -0.354 0.000 0.000) 0.354 13.589 ( -0.537 0.000 0.000) 0.537 13.594 ( -1.068 0.000 0.000) 1.068 13.645 ( 3.634 0.000 0.000) 3.634 13.732 ( -3.933 0.000 0.000) 3.933 13.985 ( 1.937 0.000 0.000) 1.937 14.005 ( 0.410 0.000 0.000) 0.410 14.130 ( 2.252 0.000 0.000) 2.252 14.182 ( -2.274 0.000 0.000) 2.274 14.729 ( 15.256 0.000 0.000) 15.256 14.863 ( 0.316 0.000 0.000) 0.316 14.892 ( -0.378 0.000 0.000) 0.378 15.090 ( -15.261 0.000 0.000) 15.261 16.218 ( 9.781 0.000 0.000) 9.781 16.427 ( -8.759 0.000 0.000) 8.759 16.488 ( 4.114 0.000 0.000) 4.114 16.501 ( 5.345 0.000 0.000) 5.345 16.589 ( -4.012 0.000 0.000) 4.012 16.627 ( -5.007 0.000 0.000) 5.007 18.419 ( 7.623 0.000 0.000) 7.623 18.452 ( 1.660 0.000 0.000) 1.660 18.493 ( -1.901 0.000 0.000) 1.901 18.520 ( -0.397 0.000 0.000) 0.397 18.622 ( 1.816 0.000 0.000) 1.816 18.661 ( -1.658 0.000 0.000) 1.658 19.233 ( -1.831 0.000 0.000) 1.831 19.251 ( -3.845 0.000 0.000) 3.845 20.010 ( 2.186 0.000 0.000) 2.186 20.043 ( -0.093 0.000 0.000) 0.093 20.329 ( 2.367 0.000 0.000) 2.367 20.426 ( -5.649 0.000 0.000) 5.649======================= Grid point 5 (4/36) =======================q-point: ( 0.00 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.169 ( 0.000 12.325 0.000) 12.325 0.492 ( 0.000 22.930 0.000) 22.930 0.887 ( 0.000 36.261 0.000) 36.261 1.050 ( 0.000 6.956 0.000) 6.956 1.165 ( 0.000 -0.720 0.000) 0.720 1.428 ( 0.000 0.751 0.000) 0.751 1.529 ( 0.000 -3.499 0.000) 3.499 1.639 ( 0.000 12.753 0.000) 12.753 1.713 ( 0.000 3.560 0.000) 3.560 1.739 ( 0.000 16.420 0.000) 16.420 1.905 ( 0.000 -2.792 0.000) 2.792 1.949 ( 0.000 -4.640 0.000) 4.640 1.966 ( 0.000 -4.580 0.000) 4.580 1.990 ( 0.000 1.230 0.000) 1.230 2.093 ( 0.000 1.846 0.000) 1.846 2.096 ( 0.000 -7.470 0.000) 7.470 2.204 ( 0.000 5.357 0.000) 5.357 2.297 ( 0.000 -4.042 0.000) 4.042 2.338 ( 0.000 0.378 0.000) 0.378 2.458 ( 0.000 4.053 0.000) 4.053 2.480 ( 0.000 -9.983 0.000) 9.983 2.480 ( 0.000 -2.170 0.000) 2.170 2.567 ( 0.000 5.851 0.000) 5.851 2.664 ( 0.000 -4.813 0.000) 4.813 2.847 ( 0.000 -1.242 0.000) 1.242 2.896 ( 0.000 0.938 0.000) 0.938 3.080 ( 0.000 4.177 0.000) 4.177 3.088 ( 0.000 -0.669 0.000) 0.669 3.285 ( 0.000 9.859 0.000) 9.859 3.315 ( 0.000 0.069 0.000) 0.069 3.339 ( 0.000 8.253 0.000) 8.253 3.485 ( 0.000 2.991 0.000) 2.991 3.524 ( 0.000 -7.745 0.000) 7.745 3.570 ( 0.000 9.591 0.000) 9.591 3.592 ( 0.000 9.199 0.000) 9.199 3.716 ( 0.000 0.273 0.000) 0.273 3.832 ( 0.000 5.293 0.000) 5.293 3.888 ( 0.000 5.811 0.000) 5.811 3.954 ( 0.000 6.989 0.000) 6.989 3.962 ( 0.000 0.583 0.000) 0.583 4.050 ( 0.000 -4.914 0.000) 4.914 4.311 ( 0.000 -10.091 0.000) 10.091 4.550 ( 0.000 -0.360 0.000) 0.360 4.678 ( 0.000 5.143 0.000) 5.143 4.841 ( 0.000 -4.486 0.000) 4.486 4.844 ( 0.000 -4.115 0.000) 4.115 4.856 ( 0.000 19.238 0.000) 19.238 4.876 ( 0.000 -12.942 0.000) 12.942 4.916 ( 0.000 0.047 0.000) 0.047 5.081 ( 0.000 -2.339 0.000) 2.339 5.167 ( 0.000 4.791 0.000) 4.791 5.232 ( 0.000 5.486 0.000) 5.486 5.381 ( 0.000 4.974 0.000) 4.974 5.450 ( 0.000 8.384 0.000) 8.384 5.483 ( 0.000 8.525 0.000) 8.525 5.544 ( 0.000 9.749 0.000) 9.749 5.745 ( 0.000 -4.094 0.000) 4.094 5.814 ( 0.000 -7.190 0.000) 7.190 5.914 ( 0.000 -5.906 0.000) 5.906 6.059 ( 0.000 -5.188 0.000) 5.188 6.246 ( 0.000 -6.289 0.000) 6.289 6.286 ( 0.000 -3.974 0.000) 3.974 6.333 ( 0.000 -4.948 0.000) 4.948 6.334 ( 0.000 -5.534 0.000) 5.534 6.458 ( 0.000 12.662 0.000) 12.662 6.488 ( 0.000 -3.762 0.000) 3.762 6.563 ( 0.000 7.309 0.000) 7.309 6.626 ( 0.000 0.991 0.000) 0.991 6.749 ( 0.000 2.378 0.000) 2.378 6.765 ( 0.000 -3.782 0.000) 3.782 7.031 ( 0.000 -2.982 0.000) 2.982 7.202 ( 0.000 -8.126 0.000) 8.126 7.684 ( 0.000 -8.320 0.000) 8.320 7.735 ( 0.000 -5.223 0.000) 5.223 8.043 ( 0.000 4.994 0.000) 4.994 8.530 ( 0.000 12.535 0.000) 12.535 8.796 ( 0.000 11.014 0.000) 11.014 8.971 ( 0.000 4.625 0.000) 4.625 9.060 ( 0.000 -4.318 0.000) 4.318 9.085 ( 0.000 4.699 0.000) 4.699 9.150 ( 0.000 -15.120 0.000) 15.120 9.185 ( 0.000 0.405 0.000) 0.405 9.679 ( 0.000 -0.006 0.000) 0.006 9.842 ( 0.000 0.164 0.000) 0.164 10.313 ( 0.000 -1.605 0.000) 1.605 10.450 ( 0.000 -1.690 0.000) 1.690 10.459 ( 0.000 -0.537 0.000) 0.537 10.692 ( 0.000 -15.900 0.000) 15.900 11.878 ( 0.000 2.800 0.000) 2.800 11.979 ( 0.000 -8.077 0.000) 8.077 12.091 ( 0.000 -3.416 0.000) 3.416 12.201 ( 0.000 6.029 0.000) 6.029 12.270 ( 0.000 -5.071 0.000) 5.071 12.704 ( 0.000 7.589 0.000) 7.589 12.736 ( 0.000 8.773 0.000) 8.773 12.812 ( 0.000 -0.859 0.000) 0.859 12.905 ( 0.000 0.544 0.000) 0.544 13.004 ( 0.000 4.199 0.000) 4.199 13.207 ( 0.000 3.915 0.000) 3.915 13.325 ( 0.000 9.451 0.000) 9.451 13.346 ( 0.000 10.202 0.000) 10.202 13.509 ( 0.000 -4.437 0.000) 4.437 13.682 ( 0.000 -0.135 0.000) 0.135 13.700 ( 0.000 5.940 0.000) 5.940 13.770 ( 0.000 -5.309 0.000) 5.309 13.898 ( 0.000 1.950 0.000) 1.950 13.909 ( 0.000 -0.532 0.000) 0.532 14.054 ( 0.000 -1.569 0.000) 1.569 14.213 ( 0.000 -2.505 0.000) 2.505 14.272 ( 0.000 -3.480 0.000) 3.480 14.498 ( 0.000 -0.658 0.000) 0.658 14.907 ( 0.000 -0.789 0.000) 0.789 14.926 ( 0.000 3.642 0.000) 3.642 14.979 ( 0.000 6.741 0.000) 6.741 15.515 ( 0.000 -7.520 0.000) 7.520 15.863 ( 0.000 -6.783 0.000) 6.783 16.413 ( 0.000 2.590 0.000) 2.590 16.424 ( 0.000 2.558 0.000) 2.558 16.685 ( 0.000 -1.238 0.000) 1.238 16.722 ( 0.000 -2.477 0.000) 2.477 18.246 ( 0.000 4.900 0.000) 4.900 18.398 ( 0.000 -0.481 0.000) 0.481 18.480 ( 0.000 -3.028 0.000) 3.028 18.487 ( 0.000 5.844 0.000) 5.844 18.667 ( 0.000 8.435 0.000) 8.435 18.786 ( 0.000 6.187 0.000) 6.187 19.249 ( 0.000 -5.908 0.000) 5.908 19.372 ( 0.000 -3.275 0.000) 3.275 19.942 ( 0.000 -3.849 0.000) 3.849 20.255 ( 0.000 -7.199 0.000) 7.199 20.259 ( 0.000 0.513 0.000) 0.513 20.342 ( 0.000 -0.808 0.000) 0.808======================= Grid point 6 (5/36) =======================q-point: ( 0.20 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.166 ( 4.571 8.342 0.000) 9.513 0.643 ( 11.564 14.668 0.000) 18.679 0.996 ( 6.285 24.944 0.000) 25.723 1.161 ( 8.357 9.150 0.000) 12.393 1.203 ( 3.275 -2.057 0.000) 3.867 1.318 ( -7.648 4.972 0.000) 9.122 1.527 ( -0.393 -0.709 0.000) 0.811 1.548 ( -3.501 8.943 0.000) 9.604 1.662 ( -4.813 10.853 0.000) 11.872 1.747 ( 2.078 6.927 0.000) 7.232 1.789 ( -4.427 0.598 0.000) 4.468 1.935 ( -4.389 1.330 0.000) 4.586 2.013 ( 7.357 -2.751 0.000) 7.855 2.034 ( -3.071 -0.418 0.000) 3.099 2.077 ( -0.527 -0.836 0.000) 0.988 2.163 ( -5.183 -3.553 0.000) 6.284 2.169 ( -0.775 -6.664 0.000) 6.708 2.251 ( 8.463 -4.379 0.000) 9.529 2.355 ( -4.436 0.029 0.000) 4.436 2.436 ( -1.625 -9.450 0.000) 9.589 2.511 ( 5.773 -4.742 0.000) 7.471 2.548 ( 1.220 2.690 0.000) 2.954 2.624 ( -3.383 -1.416 0.000) 3.667 2.696 ( 9.496 5.223 0.000) 10.837 2.851 ( -0.395 4.352 0.000) 4.370 2.912 ( 1.818 -0.926 0.000) 2.040 2.954 ( -8.239 1.564 0.000) 8.386 3.077 ( -2.682 0.519 0.000) 2.731 3.145 ( -6.647 5.553 0.000) 8.661 3.255 ( -6.738 -5.099 0.000) 8.449 3.312 ( -1.505 5.935 0.000) 6.123 3.374 ( -8.372 1.586 0.000) 8.521 3.455 ( -1.420 9.765 0.000) 9.868 3.509 ( -3.863 9.585 0.000) 10.334 3.675 ( 1.818 5.857 0.000) 6.133 3.769 ( 4.814 1.213 0.000) 4.965 3.798 ( -3.680 7.560 0.000) 8.408 3.889 ( 0.777 2.263 0.000) 2.393 3.945 ( 0.091 5.855 0.000) 5.856 3.960 ( 0.325 1.558 0.000) 1.592 4.141 ( 6.609 -4.074 0.000) 7.764 4.336 ( 1.173 -7.360 0.000) 7.453 4.519 ( -2.267 -1.132 0.000) 2.534 4.651 ( -3.299 4.484 0.000) 5.567 4.773 ( -2.926 3.834 0.000) 4.823 4.811 ( -0.373 -2.609 0.000) 2.635 4.887 ( 1.872 -7.349 0.000) 7.584 4.924 ( 1.162 2.409 0.000) 2.674 4.947 ( 2.476 0.660 0.000) 2.562 5.047 ( -2.846 6.947 0.000) 7.508 5.187 ( -3.193 7.998 0.000) 8.612 5.208 ( 1.444 0.850 0.000) 1.676 5.326 ( -6.644 17.777 0.000) 18.977 5.358 ( -1.356 2.661 0.000) 2.987 5.493 ( 2.657 7.336 0.000) 7.802 5.549 ( 0.049 8.587 0.000) 8.587 5.721 ( -2.217 -5.417 0.000) 5.853 5.751 ( -4.654 -5.798 0.000) 7.435 5.887 ( -1.578 -3.712 0.000) 4.033 5.981 ( -5.714 -4.329 0.000) 7.169 6.155 ( -5.898 -1.420 0.000) 6.067 6.216 ( -6.592 5.831 0.000) 8.801 6.305 ( 3.048 -4.424 0.000) 5.372 6.387 ( -0.938 8.915 0.000) 8.964 6.425 ( 4.387 -4.762 0.000) 6.475 6.523 ( -2.805 8.052 0.000) 8.527 6.581 ( -2.821 1.083 0.000) 3.022 6.595 ( 1.101 -3.078 0.000) 3.269 6.793 ( 3.510 0.268 0.000) 3.521 6.832 ( 5.839 -4.232 0.000) 7.211 7.026 ( -1.171 -1.806 0.000) 2.152 7.178 ( -2.268 -7.287 0.000) 7.632 7.726 ( 2.530 -9.541 0.000) 9.870 7.743 ( 0.571 -6.105 0.000) 6.132 8.068 ( 2.223 2.327 0.000) 3.218 8.498 ( -19.854 11.080 0.000) 22.736 8.547 ( 1.343 13.540 0.000) 13.606 8.776 ( -4.489 13.967 0.000) 14.670 9.088 ( 1.049 3.555 0.000) 3.706 9.132 ( 3.007 -0.932 0.000) 3.149 9.239 ( 3.512 -0.215 0.000) 3.519 9.246 ( 2.590 -10.349 0.000) 10.668 9.667 ( 1.477 3.127 0.000) 3.458 9.831 ( -1.051 1.127 0.000) 1.541 10.329 ( 1.400 -2.124 0.000) 2.544 10.440 ( -1.108 -1.393 0.000) 1.780 10.470 ( 1.812 -3.034 0.000) 3.534 10.669 ( -2.065 -14.386 0.000) 14.533 11.888 ( 0.815 2.601 0.000) 2.726 11.969 ( -0.836 -6.145 0.000) 6.202 12.097 ( 0.375 -4.771 0.000) 4.786 12.192 ( -0.674 4.944 0.000) 4.990 12.261 ( -0.703 -4.443 0.000) 4.499 12.563 ( -18.177 19.470 0.000) 26.636 12.712 ( 0.761 6.394 0.000) 6.439 12.802 ( -3.016 7.390 0.000) 7.982 12.836 ( 2.009 -0.349 0.000) 2.039 13.023 ( -0.150 6.539 0.000) 6.541 13.120 ( -10.395 9.501 0.000) 14.083 13.175 ( -2.386 4.153 0.000) 4.790 13.329 ( 0.453 9.474 0.000) 9.485 13.458 ( -7.257 14.788 0.000) 16.473 13.542 ( 2.599 -3.497 0.000) 4.357 13.640 ( -2.530 0.154 0.000) 2.535 13.684 ( -5.023 9.557 0.000) 10.796 13.774 ( -2.330 -2.464 0.000) 3.391 13.941 ( 2.662 1.062 0.000) 2.866 13.960 ( 2.549 -0.007 0.000) 2.549 14.074 ( 1.663 -1.200 0.000) 2.050 14.203 ( -0.948 -1.872 0.000) 2.098 14.396 ( 10.636 -3.282 0.000) 11.131 14.927 ( 1.014 4.551 0.000) 4.663 14.980 ( 0.050 6.961 0.000) 6.961 15.295 ( -8.376 -7.706 0.000) 11.381 15.933 ( 5.832 -7.971 0.000) 9.877 16.071 ( 20.912 -28.087 0.000) 35.017 16.436 ( 1.621 1.993 0.000) 2.569 16.437 ( 2.191 2.190 0.000) 3.098 16.664 ( -2.159 -1.012 0.000) 2.384 16.697 ( -2.281 -1.792 0.000) 2.901 18.307 ( 5.097 4.463 0.000) 6.775 18.450 ( 3.427 -0.629 0.000) 3.484 18.503 ( 1.559 6.537 0.000) 6.720 18.537 ( 2.910 -1.244 0.000) 3.165 18.682 ( 1.368 8.391 0.000) 8.502 18.786 ( -0.183 7.470 0.000) 7.472 19.234 ( -1.165 -4.657 0.000) 4.801 19.396 ( -0.329 0.386 0.000) 0.507 19.951 ( 0.555 -5.388 0.000) 5.417 19.979 ( -10.221 1.115 0.000) 10.281 20.240 ( -1.040 -7.361 0.000) 7.434 20.414 ( -1.842 -7.367 0.000) 7.594======================= Grid point 7 (6/36) =======================q-point: ( 0.40 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.418 ( 15.678 2.091 0.000) 15.817 0.749 ( -10.192 1.788 0.000) 10.348 1.068 ( 9.329 9.048 0.000) 12.996 1.253 ( -1.726 0.513 0.000) 1.800 1.319 ( 3.860 10.154 0.000) 10.863 1.325 ( 4.174 10.347 0.000) 11.157 1.459 ( -3.287 17.526 0.000) 17.832 1.488 ( -2.752 17.764 0.000) 17.976 1.646 ( 2.923 -6.608 0.000) 7.226 1.714 ( -2.926 -2.070 0.000) 3.584 1.797 ( 3.386 3.909 0.000) 5.172 1.849 ( -0.962 0.930 0.000) 1.338 1.974 ( -2.520 -4.437 0.000) 5.103 2.014 ( -6.814 -0.259 0.000) 6.819 2.109 ( 0.333 -0.391 0.000) 0.513 2.113 ( 0.518 0.787 0.000) 0.942 2.192 ( 5.399 -9.357 0.000) 10.803 2.321 ( -5.632 -8.289 0.000) 10.021 2.386 ( 5.882 -3.416 0.000) 6.802 2.412 ( 3.889 -7.767 0.000) 8.687 2.514 ( -3.341 -1.829 0.000) 3.809 2.522 ( -3.417 1.092 0.000) 3.587 2.630 ( 4.235 -1.338 0.000) 4.442 2.763 ( -7.556 2.222 0.000) 7.875 2.837 ( -0.296 0.649 0.000) 0.714 2.856 ( 1.584 -5.057 0.000) 5.300 2.946 ( 1.733 -3.001 0.000) 3.465 3.006 ( -3.742 -0.259 0.000) 3.751 3.115 ( -0.994 -0.920 0.000) 1.354 3.155 ( 4.209 -2.304 0.000) 4.799 3.217 ( -5.178 6.446 0.000) 8.268 3.266 ( -3.164 3.540 0.000) 4.747 3.428 ( -1.101 13.533 0.000) 13.578 3.432 ( -2.178 15.854 0.000) 16.003 3.681 ( -0.119 6.545 0.000) 6.546 3.710 ( -3.135 8.703 0.000) 9.250 3.876 ( 3.573 1.504 0.000) 3.877 3.907 ( 0.287 1.139 0.000) 1.174 3.961 ( 1.018 2.775 0.000) 2.956 3.971 ( 0.308 2.290 0.000) 2.311 4.282 ( 4.983 -3.581 0.000) 6.137 4.337 ( -0.866 -2.910 0.000) 3.036 4.490 ( 0.041 -1.959 0.000) 1.960 4.541 ( -4.893 1.037 0.000) 5.002 4.761 ( 1.240 3.393 0.000) 3.613 4.800 ( -1.434 -1.930 0.000) 2.404 4.922 ( 1.111 -6.199 0.000) 6.298 4.934 ( -0.140 1.214 0.000) 1.222 4.991 ( -0.787 15.722 0.000) 15.742 4.992 ( 0.834 2.592 0.000) 2.723 5.136 ( -0.420 13.241 0.000) 13.247 5.170 ( -2.581 9.855 0.000) 10.187 5.314 ( 1.421 0.866 0.000) 1.665 5.335 ( -0.773 -2.390 0.000) 2.512 5.544 ( 1.929 7.952 0.000) 8.182 5.559 ( 0.770 8.072 0.000) 8.109 5.653 ( -3.133 -5.846 0.000) 6.632 5.659 ( -2.755 -6.148 0.000) 6.737 5.859 ( -0.968 -3.002 0.000) 3.154 5.874 ( -2.977 -3.209 0.000) 4.377 6.070 ( -1.050 4.223 0.000) 4.351 6.104 ( -3.592 7.307 0.000) 8.142 6.374 ( 2.982 3.640 0.000) 4.705 6.385 ( 0.686 13.289 0.000) 13.307 6.435 ( -2.054 6.821 0.000) 7.124 6.476 ( -4.662 0.317 0.000) 4.673 6.545 ( 3.900 -6.793 0.000) 7.833 6.607 ( -1.267 -6.952 0.000) 7.066 6.882 ( 4.209 -0.617 0.000) 4.254 6.954 ( 1.079 -2.348 0.000) 2.584 6.989 ( 1.743 -3.623 0.000) 4.020 7.100 ( -4.794 -6.208 0.000) 7.844 7.755 ( 0.478 -7.116 0.000) 7.132 7.758 ( 0.403 -8.096 0.000) 8.106 8.132 ( 3.362 -2.028 0.000) 3.926 8.227 ( -6.435 1.368 0.000) 6.578 8.589 ( 2.736 15.834 0.000) 16.069 8.672 ( -4.649 15.695 0.000) 16.369 9.132 ( 2.407 -0.039 0.000) 2.408 9.167 ( -0.288 -2.960 0.000) 2.974 9.288 ( 1.650 -3.240 0.000) 3.636 9.297 ( 1.218 -1.213 0.000) 1.719 9.732 ( 3.384 3.218 0.000) 4.670 9.795 ( -2.249 2.697 0.000) 3.511 10.369 ( 2.092 -2.868 0.000) 3.550 10.412 ( -1.608 -2.734 0.000) 3.172 10.529 ( 3.351 -6.433 0.000) 7.254 10.606 ( -3.431 -10.689 0.000) 11.226 11.908 ( 1.037 1.945 0.000) 2.204 11.939 ( -1.717 -0.520 0.000) 1.794 12.121 ( 2.051 -6.226 0.000) 6.555 12.169 ( -1.712 -1.781 0.000) 2.471 12.254 ( 0.683 1.889 0.000) 2.008 12.311 ( -5.198 11.308 0.000) 12.445 12.737 ( 1.409 4.998 0.000) 5.192 12.768 ( -1.298 5.418 0.000) 5.572 12.891 ( 2.881 0.771 0.000) 2.982 12.959 ( -3.317 3.358 0.000) 4.720 13.087 ( 1.362 6.215 0.000) 6.362 13.124 ( -2.003 5.881 0.000) 6.213 13.346 ( 1.068 9.874 0.000) 9.932 13.379 ( -2.093 11.100 0.000) 11.296 13.593 ( 0.221 -0.899 0.000) 0.926 13.610 ( -1.955 2.796 0.000) 3.412 13.620 ( 2.762 -1.258 0.000) 3.035 13.703 ( -3.927 -2.495 0.000) 4.653 13.986 ( 1.348 -0.123 0.000) 1.353 13.996 ( 0.555 -0.790 0.000) 0.965 14.124 ( 2.465 -0.080 0.000) 2.466 14.172 ( -1.818 -0.584 0.000) 1.909 14.692 ( 15.161 -4.079 0.000) 15.700 14.950 ( 0.415 4.785 0.000) 4.803 14.976 ( -0.490 7.812 0.000) 7.828 15.032 ( -13.647 -2.885 0.000) 13.948 16.088 ( 7.380 -10.985 0.000) 13.234 16.212 ( -2.566 -16.625 0.000) 16.822 16.503 ( 3.590 1.255 0.000) 3.803 16.515 ( 4.639 1.177 0.000) 4.786 16.594 ( -3.674 0.026 0.000) 3.674 16.623 ( -4.206 -0.349 0.000) 4.221 18.421 ( 3.996 1.841 0.000) 4.399 18.476 ( -1.117 -0.083 0.000) 1.120 18.566 ( 3.858 7.712 0.000) 8.623 18.599 ( 1.747 3.789 0.000) 4.172 18.722 ( 2.107 8.574 0.000) 8.829 18.767 ( -1.646 8.889 0.000) 9.040 19.220 ( 0.813 -0.447 0.000) 0.927 19.304 ( -6.273 5.490 0.000) 8.336 19.899 ( 1.267 -9.444 0.000) 9.529 19.945 ( -1.538 -8.610 0.000) 8.747 20.241 ( 1.865 -7.863 0.000) 8.082 20.323 ( -4.978 -8.361 0.000) 9.731======================= Grid point 10 (7/36) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.526 ( 0.000 19.529 0.000) 19.529 0.988 ( 0.000 22.744 0.000) 22.744 1.118 ( 0.000 -1.549 0.000) 1.549 1.216 ( 0.000 5.741 0.000) 5.741 1.432 ( 0.000 11.577 0.000) 11.577 1.451 ( 0.000 1.741 0.000) 1.741 1.482 ( 0.000 0.565 0.000) 0.565 1.646 ( 0.000 -16.635 0.000) 16.635 1.765 ( 0.000 -1.525 0.000) 1.525 1.813 ( 0.000 1.744 0.000) 1.744 1.815 ( 0.000 -6.202 0.000) 6.202 1.830 ( 0.000 -6.911 0.000) 6.911 2.077 ( 0.000 1.260 0.000) 1.260 2.096 ( 0.000 10.467 0.000) 10.467 2.144 ( 0.000 1.216 0.000) 1.216 2.153 ( 0.000 12.913 0.000) 12.913 2.217 ( 0.000 0.667 0.000) 0.667 2.282 ( 0.000 -6.195 0.000) 6.195 2.327 ( 0.000 9.007 0.000) 9.007 2.342 ( 0.000 -1.485 0.000) 1.485 2.463 ( 0.000 1.006 0.000) 1.006 2.534 ( 0.000 0.662 0.000) 0.662 2.559 ( 0.000 -5.183 0.000) 5.183 2.763 ( 0.000 7.592 0.000) 7.592 2.877 ( 0.000 4.833 0.000) 4.833 2.929 ( 0.000 2.270 0.000) 2.270 3.069 ( 0.000 -0.522 0.000) 0.522 3.074 ( 0.000 -0.162 0.000) 0.162 3.180 ( 0.000 -5.567 0.000) 5.567 3.344 ( 0.000 -7.131 0.000) 7.131 3.390 ( 0.000 -0.160 0.000) 0.160 3.452 ( 0.000 -0.047 0.000) 0.047 3.758 ( 0.000 5.847 0.000) 5.847 3.772 ( 0.000 11.176 0.000) 11.176 3.819 ( 0.000 8.319 0.000) 8.319 3.827 ( 0.000 9.440 0.000) 9.440 3.860 ( 0.000 -3.895 0.000) 3.895 3.901 ( 0.000 4.933 0.000) 4.933 4.030 ( 0.000 3.983 0.000) 3.983 4.050 ( 0.000 3.227 0.000) 3.227 4.087 ( 0.000 5.929 0.000) 5.929 4.088 ( 0.000 -9.268 0.000) 9.268 4.469 ( 0.000 -7.283 0.000) 7.283 4.563 ( 0.000 -15.321 0.000) 15.321 4.739 ( 0.000 -3.578 0.000) 3.578 4.752 ( 0.000 -3.627 0.000) 3.627 4.814 ( 0.000 7.007 0.000) 7.007 4.965 ( 0.000 4.641 0.000) 4.641 5.098 ( 0.000 5.174 0.000) 5.174 5.100 ( 0.000 4.051 0.000) 4.051 5.289 ( 0.000 3.057 0.000) 3.057 5.340 ( 0.000 1.266 0.000) 1.266 5.495 ( 0.000 -9.091 0.000) 9.091 5.652 ( 0.000 3.568 0.000) 3.568 5.656 ( 0.000 17.311 0.000) 17.311 5.717 ( 0.000 7.189 0.000) 7.189 5.724 ( 0.000 4.362 0.000) 4.362 5.725 ( 0.000 5.603 0.000) 5.603 5.741 ( 0.000 -11.548 0.000) 11.548 5.921 ( 0.000 -5.669 0.000) 5.669 6.175 ( 0.000 0.481 0.000) 0.481 6.214 ( 0.000 -4.684 0.000) 4.684 6.229 ( 0.000 -1.367 0.000) 1.367 6.250 ( 0.000 -1.879 0.000) 1.879 6.387 ( 0.000 -6.600 0.000) 6.600 6.578 ( 0.000 -7.398 0.000) 7.398 6.589 ( 0.000 -4.172 0.000) 4.172 6.597 ( 0.000 -1.724 0.000) 1.724 6.690 ( 0.000 -2.199 0.000) 2.199 6.811 ( 0.000 3.691 0.000) 3.691 6.833 ( 0.000 -10.636 0.000) 10.636 6.903 ( 0.000 -10.835 0.000) 10.835 7.901 ( 0.000 24.767 0.000) 24.767 8.000 ( 0.000 20.046 0.000) 20.046 8.117 ( 0.000 2.281 0.000) 2.281 8.682 ( 0.000 5.052 0.000) 5.052 8.767 ( 0.000 -13.858 0.000) 13.858 8.903 ( 0.000 1.897 0.000) 1.897 9.038 ( 0.000 -3.296 0.000) 3.296 9.140 ( 0.000 7.617 0.000) 7.617 9.179 ( 0.000 -2.207 0.000) 2.207 9.211 ( 0.000 6.115 0.000) 6.115 9.543 ( 0.000 -11.412 0.000) 11.412 9.725 ( 0.000 -14.285 0.000) 14.285 10.296 ( 0.000 0.349 0.000) 0.349 10.385 ( 0.000 -8.212 0.000) 8.212 10.423 ( 0.000 -0.441 0.000) 0.441 10.448 ( 0.000 -0.534 0.000) 0.534 11.869 ( 0.000 -1.604 0.000) 1.604 11.915 ( 0.000 1.950 0.000) 1.950 11.997 ( 0.000 -4.905 0.000) 4.905 12.135 ( 0.000 -6.843 0.000) 6.843 12.444 ( 0.000 13.979 0.000) 13.979 12.777 ( 0.000 -2.567 0.000) 2.567 12.860 ( 0.000 3.083 0.000) 3.083 12.888 ( 0.000 9.649 0.000) 9.649 12.913 ( 0.000 -0.012 0.000) 0.012 13.165 ( 0.000 10.108 0.000) 10.108 13.332 ( 0.000 7.504 0.000) 7.504 13.368 ( 0.000 -8.652 0.000) 8.652 13.563 ( 0.000 8.615 0.000) 8.615 13.596 ( 0.000 14.287 0.000) 14.287 13.616 ( 0.000 -8.788 0.000) 8.788 13.643 ( 0.000 -3.934 0.000) 3.934 13.853 ( 0.000 -4.685 0.000) 4.685 13.887 ( 0.000 9.435 0.000) 9.435 13.962 ( 0.000 3.928 0.000) 3.928 14.035 ( 0.000 -0.124 0.000) 0.124 14.114 ( 0.000 -7.407 0.000) 7.407 14.172 ( 0.000 -5.019 0.000) 5.019 14.535 ( 0.000 5.306 0.000) 5.306 14.869 ( 0.000 -3.294 0.000) 3.294 15.008 ( 0.000 3.685 0.000) 3.685 15.168 ( 0.000 10.252 0.000) 10.252 15.300 ( 0.000 -11.223 0.000) 11.223 15.663 ( 0.000 -11.134 0.000) 11.134 16.483 ( 0.000 3.681 0.000) 3.681 16.496 ( 0.000 3.801 0.000) 3.801 16.644 ( 0.000 -2.511 0.000) 2.511 16.651 ( 0.000 -3.791 0.000) 3.791 18.388 ( 0.000 -0.246 0.000) 0.246 18.400 ( 0.000 8.928 0.000) 8.928 18.423 ( 0.000 -2.089 0.000) 2.089 18.625 ( 0.000 4.808 0.000) 4.808 18.882 ( 0.000 9.844 0.000) 9.844 18.942 ( 0.000 7.921 0.000) 7.921 19.097 ( 0.000 -6.563 0.000) 6.563 19.269 ( 0.000 -6.107 0.000) 6.107 19.845 ( 0.000 -3.934 0.000) 3.934 20.049 ( 0.000 -10.925 0.000) 10.925 20.274 ( 0.000 0.858 0.000) 0.858 20.320 ( 0.000 -1.137 0.000) 1.137======================= Grid point 11 (8/36) =======================q-point: ( 0.20 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( 0.185 19.275 0.000) 19.276 1.014 ( 0.943 18.116 0.000) 18.141 1.129 ( 2.136 -5.478 0.000) 5.880 1.297 ( 6.502 4.714 0.000) 8.031 1.309 ( -6.962 9.238 0.000) 11.568 1.486 ( 0.820 -0.698 0.000) 1.077 1.528 ( 1.934 -1.381 0.000) 2.377 1.574 ( -7.282 4.906 0.000) 8.781 1.726 ( 3.607 -10.784 0.000) 11.371 1.792 ( -0.539 -3.302 0.000) 3.346 1.840 ( 1.257 -4.343 0.000) 4.521 1.927 ( 0.632 -6.398 0.000) 6.429 2.011 ( -1.737 1.036 0.000) 2.023 2.033 ( -5.787 1.731 0.000) 6.041 2.093 ( -3.279 11.083 0.000) 11.558 2.110 ( -3.776 -3.806 0.000) 5.361 2.198 ( -7.603 14.665 0.000) 16.518 2.214 ( -3.872 -4.928 0.000) 6.268 2.277 ( 3.174 1.669 0.000) 3.586 2.411 ( 2.761 -4.849 0.000) 5.580 2.416 ( -1.015 6.005 0.000) 6.090 2.601 ( 2.426 0.433 0.000) 2.464 2.604 ( 2.693 -3.180 0.000) 4.167 2.789 ( -0.286 -1.017 0.000) 1.056 2.894 ( 0.577 3.750 0.000) 3.795 2.957 ( 3.430 4.384 0.000) 5.566 2.994 ( -5.357 2.433 0.000) 5.884 3.059 ( -2.815 1.465 0.000) 3.173 3.111 ( -2.983 -3.445 0.000) 4.557 3.162 ( -10.615 -0.976 0.000) 10.660 3.396 ( -1.894 -1.880 0.000) 2.669 3.412 ( -3.178 0.856 0.000) 3.291 3.736 ( -1.407 7.668 0.000) 7.796 3.759 ( -1.001 9.227 0.000) 9.281 3.827 ( 0.764 6.545 0.000) 6.590 3.858 ( -0.130 -0.190 0.000) 0.230 3.889 ( 4.315 8.483 0.000) 9.517 3.928 ( 1.841 6.325 0.000) 6.588 4.047 ( 0.961 4.450 0.000) 4.552 4.079 ( -0.705 5.718 0.000) 5.761 4.100 ( 4.539 0.586 0.000) 4.577 4.166 ( 5.750 -6.512 0.000) 8.688 4.443 ( -2.131 -6.075 0.000) 6.438 4.548 ( -1.577 -12.838 0.000) 12.935 4.735 ( -0.925 -3.552 0.000) 3.670 4.740 ( 0.270 -5.071 0.000) 5.079 4.785 ( -2.096 4.894 0.000) 5.324 4.994 ( -0.598 1.589 0.000) 1.698 5.041 ( -1.902 6.226 0.000) 6.510 5.112 ( 0.883 3.961 0.000) 4.058 5.295 ( 0.538 3.002 0.000) 3.050 5.318 ( -1.255 1.445 0.000) 1.914 5.504 ( 0.032 -9.278 0.000) 9.279 5.598 ( -3.941 11.645 0.000) 12.294 5.601 ( -4.386 -0.518 0.000) 4.416 5.648 ( -4.120 9.608 0.000) 10.454 5.723 ( 0.631 5.709 0.000) 5.744 5.746 ( 0.260 4.985 0.000) 4.992 5.764 ( 1.201 -2.137 0.000) 2.451 5.875 ( -3.517 -2.792 0.000) 4.490 6.187 ( 0.514 1.743 0.000) 1.817 6.213 ( 0.085 -3.732 0.000) 3.733 6.240 ( 2.159 0.437 0.000) 2.203 6.289 ( 2.684 -5.831 0.000) 6.419 6.408 ( 0.981 -6.399 0.000) 6.473 6.530 ( -4.224 -2.504 0.000) 4.911 6.553 ( -1.904 -7.014 0.000) 7.268 6.578 ( -1.649 -4.538 0.000) 4.828 6.721 ( 2.517 -4.072 0.000) 4.787 6.825 ( 1.313 2.268 0.000) 2.620 6.871 ( 2.284 -9.196 0.000) 9.476 6.905 ( -0.258 -10.486 0.000) 10.489 7.900 ( 0.010 22.784 0.000) 22.784 7.972 ( -2.003 18.057 0.000) 18.168 8.138 ( 1.664 4.890 0.000) 5.165 8.591 ( -11.748 -1.385 0.000) 11.830 8.710 ( 2.446 4.830 0.000) 5.414 8.966 ( -0.629 2.233 0.000) 2.320 9.000 ( 0.635 -6.350 0.000) 6.382 9.158 ( -1.183 -0.292 0.000) 1.219 9.189 ( 3.643 3.871 0.000) 5.316 9.250 ( 2.400 2.951 0.000) 3.804 9.594 ( 3.976 -9.911 0.000) 10.678 9.731 ( 0.351 -13.401 0.000) 13.405 10.304 ( 0.762 0.201 0.000) 0.788 10.393 ( 0.608 -7.295 0.000) 7.320 10.418 ( -0.657 -0.909 0.000) 1.121 10.427 ( -1.434 -0.274 0.000) 1.460 11.867 ( 0.086 -1.738 0.000) 1.740 11.916 ( -0.129 1.343 0.000) 1.349 11.993 ( -0.253 -5.020 0.000) 5.026 12.115 ( -1.805 -6.478 0.000) 6.725 12.445 ( 0.408 13.849 0.000) 13.855 12.774 ( -0.062 -1.725 0.000) 1.726 12.806 ( -6.219 5.460 0.000) 8.276 12.873 ( -2.278 1.039 0.000) 2.504 12.907 ( 1.808 7.924 0.000) 8.127 13.194 ( 1.889 9.263 0.000) 9.453 13.259 ( -2.603 0.870 0.000) 2.745 13.363 ( -16.828 10.239 0.000) 19.698 13.455 ( 3.908 -1.870 0.000) 4.332 13.568 ( -3.620 -1.322 0.000) 3.853 13.583 ( -1.566 8.050 0.000) 8.201 13.637 ( 0.530 3.112 0.000) 3.157 13.674 ( -4.254 -4.519 0.000) 6.206 13.951 ( -2.609 1.754 0.000) 3.143 13.958 ( 0.034 -0.214 0.000) 0.216 14.018 ( -5.095 0.598 0.000) 5.130 14.152 ( 2.048 -2.143 0.000) 2.964 14.162 ( -4.281 19.334 0.000) 19.802 14.292 ( 10.208 -6.020 0.000) 11.851 14.936 ( -2.334 -9.504 0.000) 9.787 15.168 ( 2.303 1.985 0.000) 3.041 15.177 ( 0.806 10.724 0.000) 10.754 15.594 ( 19.199 -16.491 0.000) 25.309 15.706 ( 3.584 -12.276 0.000) 12.788 16.498 ( 1.351 3.238 0.000) 3.508 16.499 ( 0.879 3.375 0.000) 3.488 16.629 ( -1.383 -2.172 0.000) 2.575 16.643 ( -0.866 -3.042 0.000) 3.163 18.442 ( 3.656 0.055 0.000) 3.657 18.444 ( 3.259 7.906 0.000) 8.551 18.495 ( 5.518 -2.154 0.000) 5.924 18.652 ( 2.283 4.827 0.000) 5.340 18.897 ( 1.326 9.822 0.000) 9.911 18.970 ( 2.171 9.179 0.000) 9.432 19.128 ( 3.326 -3.609 0.000) 4.908 19.333 ( 5.673 -5.791 0.000) 8.107 19.814 ( -2.831 -5.637 0.000) 6.308 20.026 ( -1.698 -11.526 0.000) 11.650 20.037 ( -16.593 4.117 0.000) 17.096 20.272 ( -6.421 -6.096 0.000) 8.854======================= Grid point 12 (9/36) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 10.020 15.111 0.000) 18.132 0.887 ( -12.428 10.783 0.000) 16.454 1.245 ( 6.892 -4.492 0.000) 8.227 1.274 ( 4.040 11.410 0.000) 12.104 1.434 ( -3.126 -5.199 0.000) 6.066 1.450 ( 7.334 -0.555 0.000) 7.354 1.472 ( -3.813 -1.094 0.000) 3.967 1.588 ( -1.530 -1.026 0.000) 1.842 1.740 ( 0.462 3.191 0.000) 3.224 1.758 ( -2.481 -4.892 0.000) 5.485 1.856 ( -1.492 -4.009 0.000) 4.277 1.917 ( 2.039 -6.605 0.000) 6.912 1.934 ( -5.259 -2.819 0.000) 5.968 1.942 ( -2.539 6.557 0.000) 7.031 1.965 ( -2.962 -5.524 0.000) 6.268 2.047 ( -4.190 -6.374 0.000) 7.628 2.136 ( -0.312 3.257 0.000) 3.272 2.144 ( 0.519 6.576 0.000) 6.597 2.372 ( 3.209 0.127 0.000) 3.212 2.409 ( -0.774 5.531 0.000) 5.585 2.468 ( 4.429 -2.173 0.000) 4.934 2.583 ( -4.233 2.121 0.000) 4.735 2.651 ( 2.235 0.636 0.000) 2.324 2.725 ( -4.043 -2.535 0.000) 4.772 2.899 ( -0.013 1.248 0.000) 1.248 2.905 ( -1.440 0.378 0.000) 1.488 2.933 ( -4.721 -0.346 0.000) 4.733 2.938 ( -4.701 6.445 0.000) 7.977 3.102 ( 4.380 -0.977 0.000) 4.488 3.139 ( 1.702 3.728 0.000) 4.098 3.338 ( -2.732 1.960 0.000) 3.363 3.338 ( -2.420 1.722 0.000) 2.970 3.719 ( 0.071 8.420 0.000) 8.420 3.735 ( -1.118 8.271 0.000) 8.346 3.841 ( 0.516 4.582 0.000) 4.611 3.851 ( -0.422 3.197 0.000) 3.225 3.968 ( 1.680 8.897 0.000) 9.054 3.976 ( 2.162 8.767 0.000) 9.030 4.062 ( -0.297 6.502 0.000) 6.509 4.064 ( 0.287 5.243 0.000) 5.251 4.212 ( 4.692 -2.709 0.000) 5.418 4.264 ( 1.287 -3.486 0.000) 3.716 4.410 ( 0.686 -5.071 0.000) 5.117 4.483 ( -4.209 -6.709 0.000) 7.920 4.729 ( 0.633 -3.588 0.000) 3.643 4.747 ( -1.110 -0.614 0.000) 1.268 4.770 ( 2.620 -5.991 0.000) 6.539 4.871 ( -6.270 -3.125 0.000) 7.006 5.098 ( 2.975 6.951 0.000) 7.561 5.127 ( 0.146 4.824 0.000) 4.826 5.304 ( 0.187 1.370 0.000) 1.383 5.309 ( 0.447 3.772 0.000) 3.798 5.483 ( -1.760 -6.605 0.000) 6.835 5.494 ( -3.752 -5.036 0.000) 6.280 5.533 ( -0.683 8.409 0.000) 8.437 5.566 ( -3.114 9.155 0.000) 9.670 5.750 ( 1.748 4.424 0.000) 4.756 5.756 ( 0.821 6.040 0.000) 6.095 5.773 ( -0.396 3.895 0.000) 3.916 5.800 ( -2.867 1.975 0.000) 3.481 6.201 ( 0.833 2.984 0.000) 3.098 6.214 ( -0.196 -0.702 0.000) 0.729 6.312 ( 3.888 -2.030 0.000) 4.386 6.360 ( 3.635 -7.768 0.000) 8.577 6.393 ( -2.740 -3.799 0.000) 4.684 6.438 ( -3.644 -6.060 0.000) 7.071 6.520 ( -0.613 -5.236 0.000) 5.272 6.534 ( -1.792 -4.104 0.000) 4.478 6.793 ( 3.626 -7.610 0.000) 8.430 6.852 ( -0.331 -5.171 0.000) 5.182 6.887 ( -0.412 -5.859 0.000) 5.873 6.898 ( -0.047 -5.733 0.000) 5.733 7.907 ( 0.716 19.149 0.000) 19.162 7.932 ( -1.489 17.340 0.000) 17.404 8.197 ( 4.160 7.426 0.000) 8.512 8.344 ( -9.450 6.829 0.000) 11.660 8.782 ( 3.906 4.017 0.000) 5.603 8.877 ( -4.632 2.731 0.000) 5.377 9.069 ( 3.164 -4.339 0.000) 5.370 9.126 ( -1.944 -1.991 0.000) 2.782 9.265 ( 2.657 2.270 0.000) 3.495 9.289 ( 0.609 1.992 0.000) 2.083 9.681 ( 3.330 -9.656 0.000) 10.214 9.728 ( -0.911 -11.332 0.000) 11.369 10.332 ( 1.759 -0.049 0.000) 1.759 10.377 ( -2.215 -0.166 0.000) 2.221 10.406 ( 0.525 -5.150 0.000) 5.176 10.415 ( -0.321 -2.676 0.000) 2.696 11.881 ( 1.052 -1.700 0.000) 1.999 11.904 ( -0.891 -0.246 0.000) 0.925 12.001 ( 1.456 -5.155 0.000) 5.356 12.057 ( -3.147 -5.783 0.000) 6.584 12.485 ( 3.726 13.667 0.000) 14.166 12.619 ( -8.439 12.543 0.000) 15.117 12.786 ( 1.298 -0.766 0.000) 1.507 12.826 ( -2.098 0.366 0.000) 2.130 12.968 ( 3.751 6.656 0.000) 7.640 13.083 ( -7.360 8.267 0.000) 11.069 13.236 ( 0.149 2.407 0.000) 2.411 13.237 ( 0.633 6.442 0.000) 6.473 13.506 ( 0.014 -0.300 0.000) 0.301 13.506 ( -1.325 0.163 0.000) 1.335 13.561 ( 1.020 0.458 0.000) 1.118 13.608 ( -2.574 -4.764 0.000) 5.415 13.683 ( 3.670 8.697 0.000) 9.439 13.800 ( -6.963 9.823 0.000) 12.041 13.961 ( 0.181 -2.624 0.000) 2.630 13.969 ( -0.597 -1.812 0.000) 1.908 14.184 ( 1.418 7.949 0.000) 8.075 14.189 ( 0.945 3.285 0.000) 3.418 14.551 ( 12.171 -8.733 0.000) 14.980 14.795 ( -9.537 -12.601 0.000) 15.803 15.199 ( 1.009 12.048 0.000) 12.090 15.205 ( 0.833 11.861 0.000) 11.890 15.797 ( 3.899 -14.766 0.000) 15.273 15.826 ( 2.811 -17.459 0.000) 17.684 16.538 ( 2.112 1.852 0.000) 2.809 16.545 ( 2.789 1.468 0.000) 3.152 16.589 ( -1.984 -0.462 0.000) 2.037 16.609 ( -2.257 -1.056 0.000) 2.491 18.498 ( 1.176 2.096 0.000) 2.403 18.498 ( 1.150 5.048 0.000) 5.177 18.623 ( 5.210 -1.568 0.000) 5.441 18.690 ( -0.286 1.252 0.000) 1.284 18.949 ( 3.463 12.145 0.000) 12.629 19.002 ( -0.273 12.375 0.000) 12.378 19.275 ( 10.403 5.615 0.000) 11.821 19.470 ( 2.343 5.329 0.000) 5.821 19.672 ( -11.404 -6.907 0.000) 13.332 19.716 ( -5.977 -10.351 0.000) 11.953 20.008 ( 1.081 -13.041 0.000) 13.086 20.102 ( -7.215 -11.724 0.000) 13.767======================= Grid point 15 (10/36) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.935 ( 0.000 -15.817 0.000) 15.817 0.935 ( 0.000 15.817 0.000) 15.817 1.371 ( 0.000 -8.287 0.000) 8.287 1.371 ( 0.000 8.287 0.000) 8.287 1.443 ( 0.000 -15.259 0.000) 15.259 1.443 ( 0.000 15.259 0.000) 15.259 1.512 ( 0.000 -6.417 0.000) 6.417 1.512 ( 0.000 6.417 0.000) 6.417 1.610 ( 0.000 -11.004 0.000) 11.004 1.610 ( 0.000 11.004 0.000) 11.004 1.808 ( 0.000 -0.866 0.000) 0.866 1.808 ( 0.000 0.866 0.000) 0.866 2.126 ( 0.000 -2.672 0.000) 2.672 2.126 ( 0.000 2.672 0.000) 2.672 2.189 ( 0.000 -2.730 0.000) 2.730 2.189 ( 0.000 2.730 0.000) 2.730 2.281 ( 0.000 -2.851 0.000) 2.851 2.281 ( 0.000 2.851 0.000) 2.851 2.417 ( 0.000 -8.556 0.000) 8.556 2.417 ( 0.000 8.556 0.000) 8.556 2.503 ( 0.000 -2.319 0.000) 2.319 2.503 ( 0.000 2.319 0.000) 2.319 2.633 ( 0.000 -14.404 0.000) 14.404 2.633 ( 0.000 14.404 0.000) 14.404 2.971 ( 0.000 -0.350 0.000) 0.350 2.971 ( 0.000 0.350 0.000) 0.350 3.091 ( 0.000 -1.678 0.000) 1.678 3.091 ( 0.000 1.678 0.000) 1.678 3.290 ( 0.000 -13.061 0.000) 13.061 3.290 ( 0.000 13.061 0.000) 13.061 3.304 ( 0.000 -4.615 0.000) 4.615 3.304 ( 0.000 4.615 0.000) 4.615 3.820 ( 0.000 -0.072 0.000) 0.072 3.820 ( 0.000 0.072 0.000) 0.072 3.874 ( 0.000 -3.122 0.000) 3.122 3.874 ( 0.000 3.122 0.000) 3.122 3.957 ( 0.000 -3.497 0.000) 3.497 3.957 ( 0.000 3.497 0.000) 3.497 4.075 ( 0.000 -0.613 0.000) 0.613 4.075 ( 0.000 0.613 0.000) 0.613 4.221 ( 0.000 -15.907 0.000) 15.907 4.221 ( 0.000 15.907 0.000) 15.907 4.264 ( 0.000 -10.243 0.000) 10.243 4.264 ( 0.000 10.243 0.000) 10.243 4.706 ( 0.000 -0.396 0.000) 0.396 4.706 ( 0.000 0.396 0.000) 0.396 4.969 ( 0.000 -5.997 0.000) 5.997 4.969 ( 0.000 5.997 0.000) 5.997 5.228 ( 0.000 -6.479 0.000) 6.479 5.228 ( 0.000 6.479 0.000) 6.479 5.249 ( 0.000 -10.962 0.000) 10.962 5.249 ( 0.000 10.962 0.000) 10.962 5.467 ( 0.000 -11.124 0.000) 11.124 5.467 ( 0.000 11.124 0.000) 11.124 5.711 ( 0.000 -3.983 0.000) 3.983 5.711 ( 0.000 3.983 0.000) 3.983 5.851 ( 0.000 -0.863 0.000) 0.863 5.851 ( 0.000 0.863 0.000) 0.863 5.891 ( 0.000 -2.568 0.000) 2.568 5.891 ( 0.000 2.568 0.000) 2.568 6.201 ( 0.000 -6.562 0.000) 6.562 6.201 ( 0.000 6.562 0.000) 6.562 6.213 ( 0.000 -0.969 0.000) 0.969 6.213 ( 0.000 0.969 0.000) 0.969 6.313 ( 0.000 -12.175 0.000) 12.175 6.313 ( 0.000 12.175 0.000) 12.175 6.523 ( 0.000 -0.366 0.000) 0.366 6.523 ( 0.000 0.366 0.000) 0.366 6.700 ( 0.000 -3.040 0.000) 3.040 6.700 ( 0.000 3.040 0.000) 3.040 6.849 ( 0.000 -0.942 0.000) 0.942 6.849 ( 0.000 0.942 0.000) 0.942 8.185 ( 0.000 -2.582 0.000) 2.582 8.185 ( 0.000 2.582 0.000) 2.582 8.441 ( 0.000 -20.132 0.000) 20.132 8.441 ( 0.000 20.132 0.000) 20.132 8.953 ( 0.000 -3.554 0.000) 3.554 8.953 ( 0.000 3.554 0.000) 3.554 8.977 ( 0.000 -18.499 0.000) 18.499 8.977 ( 0.000 18.499 0.000) 18.499 9.297 ( 0.000 -8.903 0.000) 8.903 9.297 ( 0.000 8.903 0.000) 8.903 9.370 ( 0.000 -11.283 0.000) 11.283 9.370 ( 0.000 11.283 0.000) 11.283 10.315 ( 0.000 -1.086 0.000) 1.086 10.315 ( 0.000 1.086 0.000) 1.086 10.432 ( 0.000 -0.915 0.000) 0.915 10.432 ( 0.000 0.915 0.000) 0.915 11.899 ( 0.000 -3.637 0.000) 3.637 11.899 ( 0.000 3.637 0.000) 3.637 11.996 ( 0.000 -5.465 0.000) 5.465 11.996 ( 0.000 5.465 0.000) 5.465 12.682 ( 0.000 -7.055 0.000) 7.055 12.682 ( 0.000 7.055 0.000) 7.055 12.901 ( 0.000 -1.073 0.000) 1.073 12.901 ( 0.000 1.073 0.000) 1.073 13.135 ( 0.000 -12.338 0.000) 12.338 13.135 ( 0.000 12.338 0.000) 12.338 13.400 ( 0.000 -10.865 0.000) 10.865 13.400 ( 0.000 10.865 0.000) 10.865 13.509 ( 0.000 -8.003 0.000) 8.003 13.509 ( 0.000 8.003 0.000) 8.003 13.725 ( 0.000 -6.744 0.000) 6.744 13.725 ( 0.000 6.744 0.000) 6.744 13.894 ( 0.000 -12.488 0.000) 12.488 13.894 ( 0.000 12.488 0.000) 12.488 14.018 ( 0.000 -2.498 0.000) 2.498 14.018 ( 0.000 2.498 0.000) 2.498 14.062 ( 0.000 -5.128 0.000) 5.128 14.062 ( 0.000 5.128 0.000) 5.128 14.725 ( 0.000 -9.972 0.000) 9.972 14.725 ( 0.000 9.972 0.000) 9.972 15.101 ( 0.000 -6.028 0.000) 6.028 15.101 ( 0.000 6.028 0.000) 6.028 15.409 ( 0.000 -11.835 0.000) 11.835 15.409 ( 0.000 11.835 0.000) 11.835 16.566 ( 0.000 -3.958 0.000) 3.958 16.566 ( 0.000 3.958 0.000) 3.958 16.578 ( 0.000 -3.557 0.000) 3.557 16.578 ( 0.000 3.557 0.000) 3.557 18.393 ( 0.000 -0.742 0.000) 0.742 18.393 ( 0.000 0.742 0.000) 0.742 18.594 ( 0.000 -7.390 0.000) 7.390 18.594 ( 0.000 7.390 0.000) 7.390 19.019 ( 0.000 -2.456 0.000) 2.456 19.019 ( 0.000 2.456 0.000) 2.456 19.116 ( 0.000 -7.835 0.000) 7.835 19.116 ( 0.000 7.835 0.000) 7.835 19.849 ( 0.000 -5.589 0.000) 5.589 19.849 ( 0.000 5.589 0.000) 5.589 20.295 ( 0.000 -1.074 0.000) 1.074 20.295 ( 0.000 1.074 0.000) 1.074======================= Grid point 17 (11/36) =======================q-point: ( 0.20 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.902 ( -0.572 -15.611 0.000) 15.621 0.902 ( -0.572 15.611 0.000) 15.621 1.352 ( -7.017 -11.721 0.000) 13.661 1.352 ( -7.017 11.721 0.000) 13.661 1.428 ( 3.246 -6.005 0.000) 6.826 1.428 ( 3.246 6.005 0.000) 6.826 1.558 ( 2.525 -12.903 0.000) 13.148 1.558 ( 2.525 12.903 0.000) 13.148 1.666 ( 5.200 -7.550 0.000) 9.168 1.666 ( 5.200 7.550 0.000) 9.168 1.729 ( -5.157 -5.303 0.000) 7.397 1.729 ( -5.157 5.303 0.000) 7.397 2.029 ( -8.010 -1.819 0.000) 8.214 2.029 ( -8.010 1.819 0.000) 8.214 2.110 ( -6.345 -4.209 0.000) 7.614 2.110 ( -6.345 4.209 0.000) 7.614 2.308 ( 1.589 -3.732 0.000) 4.056 2.308 ( 1.589 3.732 0.000) 4.056 2.443 ( 2.251 -10.723 0.000) 10.957 2.443 ( 2.251 10.723 0.000) 10.957 2.535 ( -0.634 -2.193 0.000) 2.282 2.535 ( -0.634 2.193 0.000) 2.282 2.573 ( -1.650 -11.903 0.000) 12.017 2.573 ( -1.650 11.903 0.000) 12.017 2.985 ( 0.847 -3.287 0.000) 3.394 2.985 ( 0.847 3.287 0.000) 3.394 3.036 ( -5.074 -2.392 0.000) 5.610 3.036 ( -5.074 2.392 0.000) 5.610 3.261 ( -2.704 -9.351 0.000) 9.734 3.261 ( -2.704 9.351 0.000) 9.734 3.289 ( 0.207 -11.253 0.000) 11.255 3.289 ( 0.207 11.253 0.000) 11.255 3.826 ( 0.517 -1.355 0.000) 1.451 3.826 ( 0.517 1.355 0.000) 1.451 3.862 ( -0.957 -3.368 0.000) 3.501 3.862 ( -0.957 3.368 0.000) 3.501 4.029 ( 5.452 -4.585 0.000) 7.124 4.029 ( 5.452 4.585 0.000) 7.124 4.095 ( 1.506 -0.287 0.000) 1.533 4.095 ( 1.506 0.287 0.000) 1.533 4.242 ( 1.668 -14.644 0.000) 14.738 4.242 ( 1.668 14.644 0.000) 14.738 4.267 ( 0.267 -9.132 0.000) 9.136 4.267 ( 0.267 9.132 0.000) 9.136 4.690 ( -1.101 -0.264 0.000) 1.132 4.690 ( -1.101 0.264 0.000) 1.132 4.919 ( -4.533 -6.574 0.000) 7.986 4.919 ( -4.533 6.574 0.000) 7.986 5.237 ( 0.860 -6.416 0.000) 6.473 5.237 ( 0.860 6.416 0.000) 6.473 5.256 ( 0.966 -12.079 0.000) 12.117 5.256 ( 0.966 12.079 0.000) 12.117 5.450 ( -1.342 -10.583 0.000) 10.668 5.450 ( -1.342 10.583 0.000) 10.668 5.653 ( -4.931 -4.895 0.000) 6.948 5.653 ( -4.931 4.895 0.000) 6.948 5.859 ( 0.712 -2.519 0.000) 2.617 5.859 ( 0.712 2.519 0.000) 2.617 5.897 ( 0.384 -2.246 0.000) 2.279 5.897 ( 0.384 2.246 0.000) 2.279 6.201 ( 0.233 -7.585 0.000) 7.589 6.201 ( 0.233 7.585 0.000) 7.589 6.222 ( 0.643 -1.492 0.000) 1.624 6.222 ( 0.643 1.492 0.000) 1.624 6.314 ( 0.317 -10.489 0.000) 10.493 6.314 ( 0.317 10.489 0.000) 10.493 6.482 ( -3.118 -1.674 0.000) 3.539 6.482 ( -3.118 1.674 0.000) 3.539 6.733 ( 2.304 -4.065 0.000) 4.672 6.733 ( 2.304 4.065 0.000) 4.672 6.842 ( -0.661 -1.484 0.000) 1.625 6.842 ( -0.661 1.484 0.000) 1.625 8.195 ( 0.979 -4.243 0.000) 4.354 8.195 ( 0.979 4.243 0.000) 4.354 8.398 ( -3.572 -17.817 0.000) 18.172 8.398 ( -3.572 17.817 0.000) 18.172 8.952 ( 0.028 -1.177 0.000) 1.177 8.952 ( 0.028 1.177 0.000) 1.177 8.974 ( -0.271 -16.791 0.000) 16.793 8.974 ( -0.271 16.791 0.000) 16.793 9.342 ( 3.422 -10.455 0.000) 11.001 9.342 ( 3.422 10.455 0.000) 11.001 9.393 ( 1.760 -11.368 0.000) 11.503 9.393 ( 1.760 11.368 0.000) 11.503 10.326 ( 0.943 -1.421 0.000) 1.705 10.326 ( 0.943 1.421 0.000) 1.705 10.419 ( -1.058 -0.532 0.000) 1.185 10.419 ( -1.058 0.532 0.000) 1.185 11.894 ( -0.202 -3.571 0.000) 3.577 11.894 ( -0.202 3.571 0.000) 3.577 11.985 ( -1.119 -5.048 0.000) 5.170 11.985 ( -1.119 5.048 0.000) 5.170 12.684 ( 0.349 -7.152 0.000) 7.160 12.684 ( 0.349 7.152 0.000) 7.160 12.871 ( -2.728 -1.251 0.000) 3.001 12.871 ( -2.728 1.251 0.000) 3.001 13.122 ( -0.316 -10.669 0.000) 10.673 13.122 ( -0.316 10.669 0.000) 10.673 13.395 ( -1.755 -8.035 0.000) 8.225 13.395 ( -1.755 8.035 0.000) 8.225 13.525 ( 0.924 -5.431 0.000) 5.509 13.525 ( 0.924 5.431 0.000) 5.509 13.581 ( -8.749 -4.826 0.000) 9.992 13.581 ( -8.749 4.826 0.000) 9.992 13.865 ( -1.252 -9.101 0.000) 9.187 13.865 ( -1.252 9.101 0.000) 9.187 13.989 ( -2.573 -1.933 0.000) 3.218 13.989 ( -2.573 1.933 0.000) 3.218 14.169 ( 7.655 -4.176 0.000) 8.720 14.169 ( 7.655 4.176 0.000) 8.720 14.599 ( -6.448 -18.959 0.000) 20.025 14.599 ( -6.448 18.959 0.000) 20.025 15.317 ( 11.921 -9.798 0.000) 15.430 15.317 ( 11.921 9.798 0.000) 15.430 15.431 ( 1.921 -12.581 0.000) 12.727 15.431 ( 1.921 12.581 0.000) 12.727 16.571 ( -0.303 -3.110 0.000) 3.125 16.571 ( -0.303 3.110 0.000) 3.125 16.571 ( 0.402 -3.456 0.000) 3.480 16.571 ( 0.402 3.456 0.000) 3.480 18.456 ( 4.845 -1.286 0.000) 5.012 18.456 ( 4.845 1.286 0.000) 5.012 18.619 ( 1.449 -6.885 0.000) 7.036 18.619 ( 1.449 6.885 0.000) 7.036 19.065 ( 4.745 -5.046 0.000) 6.927 19.065 ( 4.745 5.046 0.000) 6.927 19.169 ( 4.743 -8.854 0.000) 10.044 19.169 ( 4.743 8.854 0.000) 10.044 19.807 ( -3.586 -6.364 0.000) 7.305 19.807 ( -3.586 6.364 0.000) 7.305 20.145 ( -12.576 -5.609 0.000) 13.770 20.145 ( -12.576 5.609 0.000) 13.770======================= Grid point 19 (12/36) =======================q-point: ( 0.40 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 7.590 -16.774 0.000) 18.411 0.981 ( 7.590 16.774 0.000) 18.411 1.176 ( -8.748 -14.579 0.000) 17.002 1.176 ( -8.748 14.579 0.000) 17.002 1.486 ( 2.320 -2.253 0.000) 3.234 1.486 ( 2.320 2.253 0.000) 3.234 1.540 ( -3.020 -9.510 0.000) 9.978 1.540 ( -3.020 9.510 0.000) 9.978 1.695 ( 2.004 -1.887 0.000) 2.753 1.695 ( 2.004 1.887 0.000) 2.753 1.781 ( -0.393 -4.811 0.000) 4.827 1.781 ( -0.393 4.811 0.000) 4.827 1.850 ( -1.868 -1.581 0.000) 2.447 1.850 ( -1.868 1.581 0.000) 2.447 1.957 ( -6.537 -2.082 0.000) 6.861 1.957 ( -6.537 2.082 0.000) 6.861 2.353 ( 2.924 -4.028 0.000) 4.977 2.353 ( 2.924 4.028 0.000) 4.977 2.438 ( -4.665 -9.200 0.000) 10.315 2.438 ( -4.665 9.200 0.000) 10.315 2.511 ( 3.800 -8.865 0.000) 9.645 2.511 ( 3.800 8.865 0.000) 9.645 2.585 ( -1.567 -2.236 0.000) 2.730 2.585 ( -1.567 2.236 0.000) 2.730 2.942 ( -1.376 -1.777 0.000) 2.248 2.942 ( -1.376 1.777 0.000) 2.248 2.972 ( -2.272 -3.267 0.000) 3.980 2.972 ( -2.272 3.267 0.000) 3.980 3.241 ( 1.179 -9.885 0.000) 9.955 3.241 ( 1.179 9.885 0.000) 9.955 3.279 ( -1.421 -6.963 0.000) 7.107 3.279 ( -1.421 6.963 0.000) 7.107 3.838 ( 0.447 -2.697 0.000) 2.734 3.838 ( 0.447 2.697 0.000) 2.734 3.846 ( -0.427 -3.329 0.000) 3.357 3.846 ( -0.427 3.329 0.000) 3.357 4.126 ( 2.125 -4.101 0.000) 4.619 4.126 ( 2.125 4.101 0.000) 4.619 4.128 ( 1.200 -2.294 0.000) 2.588 4.128 ( 1.200 2.294 0.000) 2.588 4.278 ( 1.139 -10.841 0.000) 10.901 4.278 ( 1.139 10.841 0.000) 10.901 4.279 ( 0.784 -6.497 0.000) 6.544 4.279 ( 0.784 6.497 0.000) 6.544 4.691 ( 2.085 -0.919 0.000) 2.279 4.691 ( 2.085 0.919 0.000) 2.279 4.790 ( -6.224 -3.930 0.000) 7.361 4.790 ( -6.224 3.930 0.000) 7.361 5.265 ( 1.597 -7.061 0.000) 7.239 5.265 ( 1.597 7.061 0.000) 7.239 5.284 ( 0.603 -9.480 0.000) 9.499 5.284 ( 0.603 9.480 0.000) 9.499 5.436 ( 1.217 -9.293 0.000) 9.372 5.436 ( 1.217 9.293 0.000) 9.372 5.524 ( -5.934 -6.992 0.000) 9.171 5.524 ( -5.934 6.992 0.000) 9.171 5.880 ( 1.057 -3.333 0.000) 3.497 5.880 ( 1.057 3.333 0.000) 3.497 5.898 ( -0.419 -2.115 0.000) 2.156 5.898 ( -0.419 2.115 0.000) 2.156 6.215 ( 0.856 -7.425 0.000) 7.474 6.215 ( 0.856 7.425 0.000) 7.474 6.229 ( -0.225 -4.804 0.000) 4.810 6.229 ( -0.225 4.804 0.000) 4.810 6.340 ( 2.236 -6.161 0.000) 6.554 6.340 ( 2.236 6.161 0.000) 6.554 6.406 ( -3.473 -3.345 0.000) 4.822 6.406 ( -3.473 3.345 0.000) 4.822 6.781 ( 1.953 -4.444 0.000) 4.855 6.781 ( 1.953 4.444 0.000) 4.855 6.819 ( -1.422 -3.002 0.000) 3.322 6.819 ( -1.422 3.002 0.000) 3.322 8.233 ( 2.572 -7.662 0.000) 8.083 8.233 ( 2.572 7.662 0.000) 8.083 8.308 ( -4.078 -12.566 0.000) 13.211 8.308 ( -4.078 12.566 0.000) 13.211 8.957 ( 0.356 -6.266 0.000) 6.276 8.957 ( 0.356 6.266 0.000) 6.276 8.966 ( -0.411 -12.347 0.000) 12.354 8.966 ( -0.411 12.347 0.000) 12.354 9.411 ( 2.189 -11.452 0.000) 11.659 9.411 ( 2.189 11.452 0.000) 11.659 9.426 ( 0.726 -11.492 0.000) 11.515 9.426 ( 0.726 11.492 0.000) 11.515 10.354 ( 1.512 -1.475 0.000) 2.113 10.354 ( 1.512 1.475 0.000) 2.113 10.389 ( -1.588 -0.801 0.000) 1.778 10.389 ( -1.588 0.801 0.000) 1.778 11.903 ( 1.262 -3.380 0.000) 3.608 11.903 ( 1.262 3.380 0.000) 3.608 11.946 ( -2.258 -4.024 0.000) 4.615 11.946 ( -2.258 4.024 0.000) 4.615 12.712 ( 2.535 -6.517 0.000) 6.992 12.712 ( 2.535 6.517 0.000) 6.992 12.791 ( -4.135 -4.005 0.000) 5.757 12.791 ( -4.135 4.005 0.000) 5.757 13.151 ( 3.190 -8.718 0.000) 9.283 13.151 ( 3.190 8.718 0.000) 9.283 13.266 ( -7.168 -5.844 0.000) 9.249 13.266 ( -7.168 5.844 0.000) 9.249 13.513 ( 0.676 -2.986 0.000) 3.062 13.513 ( 0.676 2.986 0.000) 3.062 13.532 ( -0.437 -2.683 0.000) 2.718 13.532 ( -0.437 2.683 0.000) 2.718 13.865 ( 1.388 -6.389 0.000) 6.538 13.865 ( 1.388 6.389 0.000) 6.538 13.920 ( -3.251 -2.826 0.000) 4.308 13.920 ( -3.251 2.826 0.000) 4.308 14.339 ( 7.121 -9.776 0.000) 12.095 14.339 ( 7.121 9.776 0.000) 12.095 14.475 ( -5.459 -16.100 0.000) 17.000 14.475 ( -5.459 16.100 0.000) 17.000 15.482 ( 2.126 -13.992 0.000) 14.153 15.482 ( 2.126 13.992 0.000) 14.153 15.484 ( 2.996 -14.145 0.000) 14.459 15.484 ( 2.996 14.145 0.000) 14.459 16.573 ( 0.375 -1.037 0.000) 1.102 16.573 ( 0.375 1.037 0.000) 1.102 16.578 ( 0.059 -1.721 0.000) 1.722 16.578 ( 0.059 1.721 0.000) 1.722 18.560 ( 4.026 -3.415 0.000) 5.279 18.560 ( 4.026 3.415 0.000) 5.279 18.622 ( -1.424 -5.692 0.000) 5.867 18.622 ( -1.424 5.692 0.000) 5.867 19.230 ( 8.606 -11.721 0.000) 14.542 19.230 ( 8.606 11.721 0.000) 14.542 19.289 ( 4.109 -13.672 0.000) 14.276 19.289 ( 4.109 13.672 0.000) 14.276 19.720 ( -2.626 -11.448 0.000) 11.745 19.720 ( -2.626 11.448 0.000) 11.745 19.830 ( -13.049 -12.859 0.000) 18.320 19.830 ( -13.049 12.859 0.000) 18.320======================= Grid point 35 (13/36) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.195 ( 0.000 0.000 9.959) 9.959 0.385 ( 0.000 0.000 17.490) 17.490 0.468 ( 0.000 0.000 22.021) 22.021 0.846 ( 0.000 0.000 -7.729) 7.729 1.122 ( 0.000 0.000 -6.188) 6.188 1.431 ( 0.000 0.000 -5.264) 5.264 1.448 ( 0.000 0.000 3.652) 3.652 1.525 ( 0.000 0.000 1.499) 1.499 1.571 ( 0.000 0.000 -2.891) 2.891 1.600 ( 0.000 0.000 3.287) 3.287 1.805 ( 0.000 0.000 -9.517) 9.517 1.915 ( 0.000 0.000 -3.600) 3.600 2.024 ( 0.000 0.000 2.686) 2.686 2.059 ( 0.000 0.000 2.787) 2.787 2.112 ( 0.000 0.000 1.376) 1.376 2.118 ( 0.000 0.000 -0.078) 0.078 2.209 ( 0.000 0.000 -1.148) 1.148 2.220 ( 0.000 0.000 2.834) 2.834 2.346 ( 0.000 0.000 0.825) 0.825 2.366 ( 0.000 0.000 -5.627) 5.627 2.499 ( 0.000 0.000 -1.373) 1.373 2.499 ( 0.000 0.000 -3.291) 3.291 2.666 ( 0.000 0.000 1.673) 1.673 2.732 ( 0.000 0.000 0.120) 0.120 2.749 ( 0.000 0.000 -0.431) 0.431 2.832 ( 0.000 0.000 -2.794) 2.794 2.918 ( 0.000 0.000 4.175) 4.175 2.937 ( 0.000 0.000 1.397) 1.397 3.086 ( 0.000 0.000 -1.536) 1.536 3.115 ( 0.000 0.000 0.623) 0.623 3.249 ( 0.000 0.000 -2.654) 2.654 3.264 ( 0.000 0.000 -1.602) 1.602 3.526 ( 0.000 0.000 2.545) 2.545 3.639 ( 0.000 0.000 1.686) 1.686 3.648 ( 0.000 0.000 1.825) 1.825 3.677 ( 0.000 0.000 -0.555) 0.555 3.722 ( 0.000 0.000 -1.952) 1.952 3.759 ( 0.000 0.000 -0.943) 0.943 3.806 ( 0.000 0.000 -0.295) 0.295 3.963 ( 0.000 0.000 -2.175) 2.175 4.212 ( 0.000 0.000 3.240) 3.240 4.369 ( 0.000 0.000 1.035) 1.035 4.463 ( 0.000 0.000 -2.580) 2.580 4.485 ( 0.000 0.000 -0.725) 0.725 4.568 ( 0.000 0.000 -0.696) 0.696 4.607 ( 0.000 0.000 -0.583) 0.583 4.887 ( 0.000 0.000 0.467) 0.467 4.900 ( 0.000 0.000 0.581) 0.581 4.947 ( 0.000 0.000 1.665) 1.665 5.068 ( 0.000 0.000 -1.705) 1.705 5.139 ( 0.000 0.000 0.962) 0.962 5.213 ( 0.000 0.000 -1.001) 1.001 5.239 ( 0.000 0.000 1.964) 1.964 5.306 ( 0.000 0.000 0.023) 0.023 5.315 ( 0.000 0.000 -0.030) 0.030 5.373 ( 0.000 0.000 -1.496) 1.496 5.396 ( 0.000 0.000 3.293) 3.293 5.767 ( 0.000 0.000 -1.477) 1.477 5.932 ( 0.000 0.000 0.012) 0.012 5.976 ( 0.000 0.000 -3.928) 3.928 6.111 ( 0.000 0.000 -0.458) 0.458 6.253 ( 0.000 0.000 1.425) 1.425 6.261 ( 0.000 0.000 -5.405) 5.405 6.391 ( 0.000 0.000 2.763) 2.763 6.400 ( 0.000 0.000 -1.894) 1.894 6.442 ( 0.000 0.000 1.919) 1.919 6.573 ( 0.000 0.000 -1.690) 1.690 6.600 ( 0.000 0.000 -1.318) 1.318 6.715 ( 0.000 0.000 0.910) 0.910 6.793 ( 0.000 0.000 -0.789) 0.789 7.059 ( 0.000 0.000 1.811) 1.811 7.226 ( 0.000 0.000 -1.787) 1.787 7.976 ( 0.000 0.000 6.021) 6.021 7.979 ( 0.000 0.000 1.002) 1.002 8.070 ( 0.000 0.000 -1.346) 1.346 8.275 ( 0.000 0.000 3.542) 3.542 8.346 ( 0.000 0.000 -3.037) 3.037 8.548 ( 0.000 0.000 -2.790) 2.790 8.946 ( 0.000 0.000 0.798) 0.798 9.017 ( 0.000 0.000 -1.644) 1.644 9.130 ( 0.000 0.000 2.823) 2.823 9.187 ( 0.000 0.000 0.466) 0.466 9.619 ( 0.000 0.000 2.594) 2.594 9.816 ( 0.000 0.000 -1.530) 1.530 10.428 ( 0.000 0.000 -0.577) 0.577 10.463 ( 0.000 0.000 -0.827) 0.827 10.532 ( 0.000 0.000 4.708) 4.708 10.860 ( 0.000 0.000 -3.111) 3.111 11.837 ( 0.000 0.000 0.994) 0.994 11.965 ( 0.000 0.000 -1.742) 1.742 12.146 ( 0.000 0.000 1.271) 1.271 12.168 ( 0.000 0.000 1.180) 1.180 12.229 ( 0.000 0.000 -0.990) 0.990 12.311 ( 0.000 0.000 -1.686) 1.686 12.596 ( 0.000 0.000 1.074) 1.074 12.608 ( 0.000 0.000 0.323) 0.323 12.920 ( 0.000 0.000 1.819) 1.819 12.961 ( 0.000 0.000 -0.260) 0.260 13.151 ( 0.000 0.000 -1.002) 1.002 13.210 ( 0.000 0.000 -1.472) 1.472 13.231 ( 0.000 0.000 0.736) 0.736 13.256 ( 0.000 0.000 0.214) 0.214 13.591 ( 0.000 0.000 2.944) 2.944 13.656 ( 0.000 0.000 1.676) 1.676 13.813 ( 0.000 0.000 -1.952) 1.952 13.850 ( 0.000 0.000 -2.359) 2.359 13.918 ( 0.000 0.000 1.019) 1.019 13.962 ( 0.000 0.000 0.170) 0.170 14.096 ( 0.000 0.000 1.789) 1.789 14.228 ( 0.000 0.000 -1.114) 1.114 14.849 ( 0.000 0.000 -1.448) 1.448 14.871 ( 0.000 0.000 -0.739) 0.739 15.029 ( 0.000 0.000 7.142) 7.142 15.319 ( 0.000 0.000 -0.485) 0.485 15.611 ( 0.000 0.000 1.303) 1.303 15.987 ( 0.000 0.000 -7.283) 7.283 16.359 ( 0.000 0.000 0.726) 0.726 16.385 ( 0.000 0.000 0.179) 0.179 16.703 ( 0.000 0.000 0.457) 0.457 16.746 ( 0.000 0.000 -0.369) 0.369 18.421 ( 0.000 0.000 0.221) 0.221 18.479 ( 0.000 0.000 3.530) 3.530 18.507 ( 0.000 0.000 -2.221) 2.221 18.523 ( 0.000 0.000 -0.294) 0.294 18.536 ( 0.000 0.000 6.083) 6.083 18.590 ( 0.000 0.000 1.269) 1.269 18.690 ( 0.000 0.000 -1.419) 1.419 19.243 ( 0.000 0.000 -6.945) 6.945 19.467 ( 0.000 0.000 5.611) 5.611 20.121 ( 0.000 0.000 -11.755) 11.755 20.510 ( 0.000 0.000 6.708) 6.708 20.783 ( 0.000 0.000 -2.284) 2.284======================= Grid point 36 (14/36) =======================q-point: ( 0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( 1.608 0.000 19.873) 19.938 0.495 ( 18.492 0.000 3.006) 18.734 0.666 ( 17.088 0.000 8.660) 19.157 0.916 ( 5.940 0.000 -6.580) 8.864 1.193 ( 5.606 0.000 -4.928) 7.464 1.334 ( -8.784 0.000 -4.125) 9.705 1.394 ( -4.554 0.000 3.373) 5.667 1.442 ( -7.075 0.000 1.616) 7.257 1.609 ( 3.375 0.000 -3.537) 4.889 1.631 ( 1.976 0.000 2.534) 3.214 1.810 ( -3.665 0.000 -4.189) 5.566 1.826 ( -6.613 0.000 -1.315) 6.743 1.987 ( 4.283 0.000 -4.213) 6.008 2.081 ( -1.171 0.000 -1.084) 1.596 2.095 ( -3.835 0.000 -0.917) 3.943 2.118 ( 1.180 0.000 -0.926) 1.500 2.319 ( -2.147 0.000 -1.075) 2.401 2.330 ( 9.438 0.000 -1.686) 9.587 2.346 ( 3.989 0.000 2.041) 4.481 2.448 ( 5.903 0.000 0.578) 5.931 2.489 ( -0.433 0.000 -1.651) 1.707 2.537 ( -0.006 0.000 -2.420) 2.420 2.658 ( -4.686 0.000 -1.005) 4.792 2.701 ( 7.417 0.000 1.785) 7.629 2.802 ( -6.347 0.000 -2.564) 6.845 2.815 ( 5.127 0.000 -0.900) 5.205 2.855 ( 1.157 0.000 -2.297) 2.572 3.024 ( 4.536 0.000 -0.968) 4.638 3.030 ( -3.568 0.000 -1.363) 3.819 3.189 ( -0.983 0.000 -5.050) 5.145 3.279 ( 3.208 0.000 0.755) 3.296 3.414 ( -8.194 0.000 1.719) 8.373 3.415 ( -2.343 0.000 -1.368) 2.713 3.487 ( -9.725 0.000 0.221) 9.728 3.553 ( -1.476 0.000 -3.980) 4.245 3.615 ( -4.587 0.000 -1.902) 4.965 3.801 ( 4.038 0.000 0.039) 4.038 3.834 ( 3.542 0.000 -0.879) 3.649 3.836 ( 3.981 0.000 -0.682) 4.039 3.947 ( -0.554 0.000 -1.787) 1.870 4.261 ( 3.982 0.000 3.681) 5.422 4.371 ( 0.469 0.000 0.898) 1.013 4.479 ( -1.473 0.000 -2.018) 2.499 4.490 ( -0.488 0.000 -2.119) 2.175 4.558 ( -0.018 0.000 0.902) 0.902 4.605 ( -0.271 0.000 -0.457) 0.531 4.851 ( -1.122 0.000 0.324) 1.168 4.941 ( 1.482 0.000 -0.245) 1.502 4.990 ( 1.506 0.000 0.980) 1.797 5.035 ( -1.383 0.000 1.137) 1.790 5.112 ( -1.330 0.000 0.590) 1.455 5.183 ( -3.440 0.000 -1.326) 3.687 5.275 ( 2.222 0.000 1.169) 2.510 5.306 ( 3.696 0.000 1.365) 3.940 5.380 ( 0.640 0.000 -1.288) 1.439 5.400 ( 3.266 0.000 -0.931) 3.396 5.692 ( 12.070 0.000 -13.216) 17.898 5.762 ( -0.746 0.000 -1.777) 1.927 5.875 ( -4.581 0.000 -1.133) 4.719 5.946 ( -2.786 0.000 -3.712) 4.642 6.028 ( -5.047 0.000 -0.749) 5.102 6.162 ( -7.640 0.000 -4.318) 8.776 6.175 ( -5.361 0.000 1.149) 5.483 6.277 ( -8.149 0.000 -1.124) 8.226 6.401 ( 1.566 0.000 0.857) 1.785 6.437 ( 0.153 0.000 2.081) 2.087 6.602 ( 2.121 0.000 -0.316) 2.144 6.666 ( 3.212 0.000 -2.145) 3.863 6.801 ( 5.330 0.000 0.719) 5.378 6.871 ( 5.681 0.000 -0.752) 5.730 7.041 ( -1.459 0.000 1.788) 2.307 7.200 ( -2.245 0.000 -1.656) 2.790 8.018 ( 2.525 0.000 4.971) 5.575 8.045 ( 5.540 0.000 0.397) 5.555 8.092 ( 2.019 0.000 -0.908) 2.213 8.240 ( -4.630 0.000 2.752) 5.386 8.258 ( -1.517 0.000 3.165) 3.510 8.506 ( -3.785 0.000 -2.598) 4.591 9.033 ( 3.629 0.000 -0.670) 3.691 9.139 ( 4.342 0.000 -2.781) 5.157 9.222 ( 7.139 0.000 -2.003) 7.414 9.253 ( 4.898 0.000 0.356) 4.910 9.638 ( 1.831 0.000 1.909) 2.645 9.801 ( -1.513 0.000 -1.080) 1.859 10.413 ( -0.429 0.000 1.981) 2.027 10.489 ( 0.609 0.000 1.207) 1.352 10.506 ( 0.987 0.000 1.583) 1.866 10.819 ( -3.605 0.000 -2.952) 4.659 11.847 ( 0.741 0.000 0.791) 1.084 11.932 ( -2.316 0.000 -0.710) 2.423 12.145 ( -0.916 0.000 -0.087) 0.920 12.160 ( 0.192 0.000 -0.290) 0.348 12.254 ( 2.019 0.000 0.341) 2.047 12.327 ( 1.047 0.000 -0.723) 1.273 12.610 ( 1.445 0.000 0.536) 1.541 12.633 ( 1.462 0.000 1.024) 1.785 12.865 ( -2.044 0.000 0.666) 2.149 12.952 ( -1.523 0.000 -0.108) 1.527 13.105 ( -1.643 0.000 1.755) 2.404 13.203 ( -1.918 0.000 5.256) 5.594 13.234 ( 0.161 0.000 0.710) 0.728 13.251 ( -0.398 0.000 0.390) 0.557 13.589 ( -3.656 0.000 0.428) 3.681 13.605 ( 1.391 0.000 2.208) 2.610 13.683 ( -6.140 0.000 0.922) 6.208 13.787 ( -2.243 0.000 -1.733) 2.834 13.966 ( 3.341 0.000 2.409) 4.119 14.039 ( 2.319 0.000 5.159) 5.656 14.108 ( 1.117 0.000 1.631) 1.977 14.216 ( -1.063 0.000 -0.748) 1.300 14.519 ( -0.174 0.000 8.920) 8.921 14.869 ( -0.126 0.000 -0.317) 0.341 14.896 ( -0.474 0.000 0.230) 0.527 15.318 ( -10.445 0.000 -6.213) 12.153 15.990 ( 10.351 0.000 -2.273) 10.598 16.319 ( 11.830 0.000 -16.445) 20.258 16.401 ( 3.619 0.000 0.547) 3.660 16.415 ( 2.634 0.000 0.241) 2.645 16.672 ( -2.684 0.000 0.463) 2.724 16.713 ( -2.894 0.000 -0.323) 2.912 18.353 ( 2.634 0.000 6.996) 7.476 18.426 ( 0.571 0.000 0.116) 0.582 18.503 ( -0.504 0.000 -1.920) 1.985 18.543 ( 3.293 0.000 7.244) 7.957 18.597 ( 0.717 0.000 0.866) 1.124 18.679 ( -0.941 0.000 -1.236) 1.553 19.061 ( 11.533 0.000 -19.463) 22.623 19.259 ( -0.135 0.000 -7.445) 7.446 19.584 ( 13.610 0.000 -0.410) 13.616 20.122 ( 0.494 0.000 -9.072) 9.086 20.409 ( -8.080 0.000 7.361) 10.930 20.613 ( -10.160 0.000 1.543) 10.277======================= Grid point 37 (15/36) =======================q-point: ( 0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.579 ( 7.887 0.000 11.565) 13.999 0.797 ( -8.049 0.000 2.867) 8.544 0.893 ( 17.019 0.000 0.862) 17.040 1.077 ( 7.900 0.000 -3.536) 8.655 1.227 ( -12.149 0.000 1.038) 12.193 1.259 ( -7.542 0.000 0.744) 7.579 1.264 ( 4.146 0.000 3.171) 5.220 1.291 ( 2.271 0.000 -0.793) 2.405 1.661 ( 0.950 0.000 2.362) 2.546 1.704 ( -3.594 0.000 1.834) 4.035 1.706 ( 5.669 0.000 -7.534) 9.429 1.830 ( 3.144 0.000 -4.843) 5.774 1.974 ( -3.292 0.000 -1.768) 3.737 2.053 ( -0.163 0.000 -1.717) 1.725 2.064 ( -0.743 0.000 -2.122) 2.248 2.100 ( -5.088 0.000 0.151) 5.090 2.339 ( 4.784 0.000 -0.358) 4.797 2.404 ( 2.036 0.000 0.543) 2.107 2.430 ( -0.396 0.000 -1.268) 1.328 2.453 ( -2.461 0.000 -1.118) 2.703 2.524 ( 1.482 0.000 0.261) 1.505 2.541 ( 0.383 0.000 0.558) 0.677 2.617 ( 0.814 0.000 -3.111) 3.215 2.660 ( -4.318 0.000 -3.909) 5.824 2.888 ( 2.132 0.000 -1.888) 2.848 2.942 ( 12.130 0.000 0.208) 12.132 2.948 ( -3.323 0.000 -2.022) 3.890 2.987 ( 10.244 0.000 -0.442) 10.254 3.119 ( 0.566 0.000 -2.557) 2.619 3.151 ( -0.990 0.000 -2.441) 2.634 3.206 ( -10.428 0.000 0.962) 10.472 3.248 ( -11.622 0.000 0.147) 11.623 3.262 ( -1.267 0.000 0.864) 1.534 3.354 ( -1.719 0.000 0.572) 1.812 3.478 ( -0.609 0.000 -1.496) 1.615 3.552 ( -3.593 0.000 -3.996) 5.374 3.871 ( 2.164 0.000 0.280) 2.182 3.889 ( 0.742 0.000 -0.110) 0.750 3.924 ( 2.910 0.000 -1.247) 3.166 3.948 ( 0.174 0.000 -0.717) 0.737 4.346 ( 3.820 0.000 0.209) 3.826 4.397 ( 1.873 0.000 0.064) 1.874 4.427 ( -3.002 0.000 -0.646) 3.071 4.449 ( -2.621 0.000 -1.386) 2.965 4.577 ( 1.136 0.000 0.624) 1.296 4.596 ( -0.563 0.000 -0.047) 0.565 4.853 ( 1.587 0.000 2.178) 2.695 4.917 ( -3.532 0.000 3.365) 4.879 5.006 ( 2.164 0.000 0.371) 2.195 5.042 ( -0.405 0.000 0.165) 0.437 5.098 ( 0.117 0.000 0.236) 0.264 5.120 ( -1.957 0.000 -0.195) 1.967 5.341 ( 3.409 0.000 -0.306) 3.423 5.388 ( -0.396 0.000 -0.843) 0.931 5.393 ( 3.410 0.000 0.136) 3.413 5.436 ( -0.219 0.000 -0.793) 0.822 5.732 ( -1.395 0.000 -1.788) 2.268 5.754 ( -3.924 0.000 -0.688) 3.984 5.827 ( 1.957 0.000 -7.945) 8.183 5.872 ( -2.864 0.000 -3.978) 4.902 5.975 ( -0.174 0.000 -2.680) 2.686 6.016 ( -4.412 0.000 -2.913) 5.287 6.087 ( -1.617 0.000 0.632) 1.736 6.124 ( -4.854 0.000 -0.204) 4.858 6.432 ( 0.840 0.000 -0.765) 1.136 6.439 ( -0.009 0.000 0.525) 0.525 6.658 ( 2.638 0.000 0.092) 2.640 6.697 ( -0.444 0.000 -0.987) 1.083 6.902 ( 3.719 0.000 1.020) 3.857 6.960 ( -0.480 0.000 0.347) 0.593 7.035 ( 3.399 0.000 0.276) 3.410 7.130 ( -4.012 0.000 -1.195) 4.186 8.078 ( 3.124 0.000 4.216) 5.247 8.141 ( 2.904 0.000 0.434) 2.936 8.154 ( -3.658 0.000 3.155) 4.831 8.188 ( 1.954 0.000 -0.123) 1.958 8.231 ( 3.425 0.000 1.107) 3.599 8.386 ( -6.901 0.000 -1.901) 7.158 9.131 ( 4.463 0.000 0.140) 4.465 9.189 ( -0.155 0.000 -0.711) 0.728 9.317 ( 2.417 0.000 0.834) 2.557 9.331 ( 1.319 0.000 1.054) 1.689 9.691 ( 2.720 0.000 0.743) 2.820 9.752 ( -2.689 0.000 -0.028) 2.689 10.431 ( 1.699 0.000 1.860) 2.519 10.468 ( -1.448 0.000 1.917) 2.403 10.592 ( 5.190 0.000 -1.731) 5.471 10.714 ( -5.548 0.000 -2.489) 6.080 11.863 ( 0.762 0.000 0.592) 0.965 11.887 ( -1.539 0.000 0.276) 1.563 12.136 ( 0.374 0.000 -1.355) 1.406 12.153 ( -0.817 0.000 -1.934) 2.099 12.305 ( 2.205 0.000 1.437) 2.632 12.337 ( -0.482 0.000 0.938) 1.054 12.645 ( 1.338 0.000 0.182) 1.350 12.656 ( 0.441 0.000 0.778) 0.895 12.862 ( 1.360 0.000 -1.907) 2.342 12.906 ( -2.310 0.000 -1.696) 2.866 13.099 ( 0.956 0.000 5.422) 5.506 13.143 ( -2.831 0.000 7.777) 8.276 13.237 ( 0.121 0.000 0.552) 0.565 13.242 ( -0.365 0.000 0.473) 0.597 13.559 ( 0.472 0.000 -1.794) 1.856 13.594 ( -2.665 0.000 -0.799) 2.782 13.653 ( 2.850 0.000 0.697) 2.934 13.723 ( -3.310 0.000 -0.810) 3.408 14.031 ( 2.228 0.000 3.974) 4.555 14.059 ( -0.245 0.000 4.945) 4.951 14.142 ( 1.854 0.000 1.022) 2.117 14.184 ( -1.805 0.000 0.104) 1.808 14.685 ( 10.671 0.000 -3.195) 11.139 14.848 ( -3.097 0.000 -3.230) 4.475 14.906 ( 2.605 0.000 2.226) 3.426 15.062 ( -11.329 0.000 -2.433) 11.587 16.198 ( 8.750 0.000 -1.418) 8.864 16.355 ( -4.686 0.000 -5.759) 7.425 16.493 ( 4.185 0.000 0.373) 4.202 16.504 ( 5.212 0.000 0.208) 5.216 16.593 ( -4.093 0.000 0.417) 4.115 16.625 ( -4.898 0.000 -0.166) 4.901 18.448 ( 1.363 0.000 -0.304) 1.396 18.481 ( -1.434 0.000 -1.067) 1.787 18.483 ( 7.145 0.000 5.718) 9.152 18.585 ( -0.961 0.000 5.737) 5.817 18.621 ( 1.357 0.000 -0.066) 1.358 18.652 ( -1.383 0.000 -0.776) 1.586 19.145 ( 1.185 0.000 -7.812) 7.901 19.196 ( -3.786 0.000 -5.217) 6.446 19.907 ( 12.644 0.000 -3.035) 13.003 20.117 ( -4.804 0.000 0.395) 4.820 20.273 ( 0.400 0.000 -2.663) 2.693 20.406 ( -8.712 0.000 -2.289) 9.008======================= Grid point 40 (16/36) =======================q-point: ( 0.00 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( 0.000 3.272 19.018) 19.297 0.569 ( 0.000 15.172 6.456) 16.489 0.882 ( 0.000 31.411 -0.113) 31.411 1.016 ( 0.000 9.683 -3.094) 10.166 1.094 ( 0.000 0.303 -6.610) 6.617 1.374 ( 0.000 -1.133 -5.174) 5.297 1.513 ( 0.000 -1.664 -1.477) 2.225 1.641 ( 0.000 11.277 -0.091) 11.278 1.696 ( 0.000 9.755 -0.583) 9.773 1.758 ( 0.000 7.124 1.570) 7.295 1.817 ( 0.000 1.469 -7.670) 7.810 1.942 ( 0.000 -1.718 -1.579) 2.333 1.967 ( 0.000 -4.121 0.526) 4.154 1.985 ( 0.000 -1.371 -1.215) 1.832 2.050 ( 0.000 2.047 -2.450) 3.192 2.099 ( 0.000 -9.199 0.613) 9.219 2.205 ( 0.000 5.615 0.315) 5.624 2.320 ( 0.000 -4.022 1.509) 4.296 2.341 ( 0.000 -0.839 -1.281) 1.531 2.358 ( 0.000 -2.654 -6.521) 7.041 2.450 ( 0.000 1.535 -0.783) 1.723 2.471 ( 0.000 -1.741 -1.200) 2.114 2.627 ( 0.000 2.191 3.174) 3.857 2.652 ( 0.000 -3.449 -0.290) 3.461 2.865 ( 0.000 -1.158 1.754) 2.102 2.932 ( 0.000 1.249 2.599) 2.883 3.059 ( 0.000 4.903 -1.834) 5.235 3.079 ( 0.000 -0.376 -0.860) 0.938 3.247 ( 0.000 7.364 -2.312) 7.718 3.286 ( 0.000 10.937 -4.126) 11.690 3.345 ( 0.000 3.500 1.705) 3.893 3.484 ( 0.000 2.169 0.009) 2.169 3.512 ( 0.000 -3.522 -2.013) 4.057 3.540 ( 0.000 9.048 -2.113) 9.291 3.620 ( 0.000 8.768 2.437) 9.100 3.720 ( 0.000 0.725 0.705) 1.012 3.825 ( 0.000 5.717 -0.572) 5.746 3.880 ( 0.000 4.919 -0.729) 4.973 3.936 ( 0.000 6.332 -1.205) 6.446 3.948 ( 0.000 1.529 -1.241) 1.970 4.088 ( 0.000 -5.120 3.100) 5.986 4.295 ( 0.000 -9.670 -1.623) 9.805 4.561 ( 0.000 2.091 0.843) 2.255 4.661 ( 0.000 5.251 -1.653) 5.505 4.794 ( 0.000 0.329 -1.392) 1.431 4.831 ( 0.000 -7.097 -0.701) 7.131 4.891 ( 0.000 -6.583 0.825) 6.635 4.897 ( 0.000 9.095 0.792) 9.130 4.936 ( 0.000 4.584 2.172) 5.072 5.073 ( 0.000 -3.181 -0.564) 3.230 5.164 ( 0.000 4.657 -0.315) 4.668 5.260 ( 0.000 5.205 2.624) 5.829 5.396 ( 0.000 5.100 1.416) 5.293 5.413 ( 0.000 8.686 -3.687) 9.437 5.500 ( 0.000 7.817 1.747) 8.010 5.528 ( 0.000 10.186 -1.478) 10.293 5.764 ( 0.000 -2.310 1.144) 2.578 5.818 ( 0.000 -6.829 0.363) 6.839 5.821 ( 0.000 31.119 -29.777) 43.070 5.859 ( 0.000 -6.265 -7.235) 9.571 6.068 ( 0.000 -1.732 -1.706) 2.432 6.213 ( 0.000 -3.404 -5.041) 6.083 6.274 ( 0.000 -7.133 2.581) 7.586 6.375 ( 0.000 -4.163 2.691) 4.957 6.464 ( 0.000 12.224 0.612) 12.239 6.477 ( 0.000 -6.744 -1.958) 7.022 6.563 ( 0.000 4.616 -0.866) 4.696 6.570 ( 0.000 2.548 -3.048) 3.973 6.751 ( 0.000 1.766 0.181) 1.776 6.766 ( 0.000 -2.630 0.099) 2.632 7.050 ( 0.000 -3.002 1.705) 3.453 7.190 ( 0.000 -7.243 -1.238) 7.348 7.718 ( 0.000 -8.705 2.446) 9.042 7.743 ( 0.000 -6.296 0.558) 6.321 8.077 ( 0.000 4.377 3.454) 5.576 8.477 ( 0.000 7.874 -5.318) 9.502 8.761 ( 0.000 11.034 -3.094) 11.459 8.811 ( 0.000 10.827 -15.360) 18.793 8.978 ( 0.000 3.441 0.742) 3.520 9.043 ( 0.000 0.941 -1.179) 1.509 9.152 ( 0.000 2.237 2.223) 3.154 9.201 ( 0.000 1.491 1.107) 1.857 9.668 ( 0.000 3.181 1.235) 3.413 9.831 ( 0.000 0.545 -1.191) 1.310 10.362 ( 0.000 -6.077 3.427) 6.977 10.436 ( 0.000 -2.225 -0.448) 2.269 10.441 ( 0.000 -1.752 -0.877) 1.959 10.665 ( 0.000 -15.368 -2.545) 15.577 11.884 ( 0.000 2.174 0.721) 2.290 11.971 ( 0.000 -7.515 -0.760) 7.553 12.099 ( 0.000 -3.554 0.571) 3.599 12.209 ( 0.000 6.125 0.896) 6.190 12.253 ( 0.000 -4.462 -2.035) 4.904 12.465 ( 0.000 17.592 -17.638) 24.911 12.726 ( 0.000 8.677 2.086) 8.925 12.770 ( 0.000 8.273 1.663) 8.439 12.931 ( 0.000 0.701 2.133) 2.245 13.026 ( 0.000 3.799 -0.107) 3.800 13.193 ( 0.000 3.692 -1.202) 3.883 13.277 ( 0.000 5.621 -5.329) 7.746 13.338 ( 0.000 9.796 1.137) 9.862 13.440 ( 0.000 8.458 -3.843) 9.290 13.565 ( 0.000 -0.321 3.495) 3.510 13.756 ( 0.000 -4.847 -1.356) 5.033 13.766 ( 0.000 12.492 -1.372) 12.567 13.868 ( 0.000 1.456 -2.454) 2.854 13.927 ( 0.000 0.449 1.361) 1.433 13.971 ( 0.000 0.296 -2.635) 2.652 14.067 ( 0.000 -2.108 1.230) 2.441 14.201 ( 0.000 -2.410 -1.602) 2.894 14.889 ( 0.000 -1.745 2.483) 3.035 14.900 ( 0.000 3.364 -0.292) 3.377 15.029 ( 0.000 -14.179 11.460) 18.231 15.032 ( 0.000 0.897 4.374) 4.465 15.528 ( 0.000 -7.099 1.451) 7.245 15.836 ( 0.000 -8.425 -3.715) 9.207 16.400 ( 0.000 2.870 -0.964) 3.027 16.414 ( 0.000 2.497 0.084) 2.499 16.689 ( 0.000 -1.322 0.473) 1.404 16.741 ( 0.000 -2.052 0.558) 2.127 18.305 ( 0.000 1.474 4.407) 4.647 18.465 ( 0.000 -0.097 -0.974) 0.979 18.489 ( 0.000 -1.103 8.270) 8.343 18.507 ( 0.000 3.662 1.446) 3.937 18.651 ( 0.000 7.846 -1.454) 7.980 18.784 ( 0.000 7.198 -0.052) 7.198 19.180 ( 0.000 -5.453 -6.423) 8.426 19.275 ( 0.000 26.132 -27.419) 37.877 19.430 ( 0.000 -3.052 5.187) 6.018 20.077 ( 0.000 -4.269 -11.493) 12.260 20.453 ( 0.000 -4.714 5.398) 7.167 20.553 ( 0.000 -13.971 6.379) 15.358======================= Grid point 41 (17/36) =======================q-point: ( 0.20 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.458 ( 0.741 1.547 18.350) 18.430 0.695 ( 9.616 11.146 4.540) 15.405 0.981 ( 4.976 20.607 -1.132) 21.229 1.113 ( 5.158 7.280 -5.769) 10.625 1.151 ( 7.215 0.926 -2.934) 7.844 1.308 ( -3.529 5.466 -1.346) 6.644 1.517 ( 0.053 -0.395 -1.168) 1.234 1.571 ( -3.590 5.736 1.727) 6.984 1.636 ( -4.897 12.590 -0.987) 13.545 1.716 ( -1.899 5.545 -4.635) 7.473 1.811 ( 0.982 2.874 1.973) 3.622 1.925 ( -3.307 3.630 -0.916) 4.995 1.963 ( 0.375 -0.643 -3.441) 3.520 2.013 ( 0.289 -3.119 -1.100) 3.320 2.072 ( -0.010 -1.607 -0.901) 1.842 2.112 ( -1.519 -4.673 -2.062) 5.329 2.198 ( -0.952 -6.082 -1.587) 6.358 2.252 ( 4.002 -4.208 1.888) 6.106 2.302 ( -2.330 -2.806 -4.973) 6.167 2.433 ( -2.408 -7.410 0.203) 7.794 2.477 ( 4.047 -2.918 -2.839) 5.740 2.523 ( 1.930 1.247 -1.919) 2.993 2.625 ( -1.141 0.329 1.064) 1.595 2.714 ( 7.112 4.776 0.805) 8.604 2.871 ( -0.572 3.433 1.970) 3.999 2.918 ( -0.654 1.448 0.402) 1.639 2.953 ( -6.574 1.910 -0.282) 6.851 3.060 ( -3.119 0.388 -1.546) 3.503 3.128 ( -5.260 6.202 -1.152) 8.213 3.224 ( -6.416 -0.005 -3.213) 7.175 3.333 ( -1.240 3.086 2.067) 3.916 3.382 ( -7.296 0.355 0.685) 7.337 3.432 ( -2.988 10.140 -1.310) 10.652 3.516 ( -2.893 9.728 -0.285) 10.153 3.659 ( 0.846 6.387 -0.835) 6.497 3.753 ( 0.089 4.049 -1.370) 4.276 3.808 ( 0.991 4.874 0.866) 5.048 3.884 ( 1.086 2.370 -0.599) 2.675 3.931 ( 0.606 5.065 -0.775) 5.160 3.957 ( 0.317 3.076 -0.554) 3.141 4.169 ( 6.011 -4.572 2.428) 7.933 4.326 ( 1.762 -7.283 -1.083) 7.571 4.531 ( -2.258 0.467 0.999) 2.513 4.632 ( -3.032 4.086 -1.614) 5.337 4.775 ( -0.929 2.704 0.680) 2.939 4.828 ( 0.276 -4.198 1.091) 4.346 4.900 ( 1.194 -6.351 0.943) 6.530 4.921 ( 0.085 7.828 -0.131) 7.830 4.946 ( 2.000 -0.219 0.057) 2.013 5.039 ( -2.955 5.723 -0.740) 6.483 5.152 ( -1.659 5.666 -1.658) 6.132 5.244 ( -4.750 9.802 0.171) 10.894 5.310 ( -1.113 13.857 -0.084) 13.902 5.377 ( -1.512 2.791 1.694) 3.598 5.470 ( 2.472 7.112 -1.799) 7.742 5.537 ( 0.000 8.266 -1.310) 8.369 5.734 ( -2.854 -4.804 0.969) 5.671 5.753 ( -4.607 -5.051 -0.011) 6.837 5.842 ( -0.613 -2.050 -4.109) 4.633 5.952 ( 3.710 6.270 -13.921) 15.712 5.983 ( -5.302 3.526 -4.430) 7.757 6.137 ( -6.047 0.071 -4.222) 7.375 6.299 ( 2.529 -5.540 -0.736) 6.134 6.369 ( -1.632 -0.492 0.870) 1.913 6.409 ( -0.265 7.180 1.585) 7.358 6.505 ( -3.607 9.577 -0.826) 10.267 6.577 ( 0.886 -1.432 -1.287) 2.120 6.586 ( 3.270 -4.920 -1.547) 6.107 6.798 ( 3.580 -0.140 0.271) 3.593 6.829 ( 5.357 -3.533 -0.267) 6.423 7.042 ( -1.187 -1.935 1.503) 2.723 7.168 ( -2.135 -6.418 -1.072) 6.848 7.747 ( 1.549 -9.376 1.350) 9.599 7.763 ( 1.975 -7.184 1.871) 7.681 8.084 ( 0.750 1.659 1.794) 2.556 8.374 ( -9.476 6.212 -6.497) 13.061 8.614 ( -3.189 14.251 2.319) 14.786 8.745 ( -2.970 13.493 -2.650) 14.068 9.058 ( 2.954 1.766 -1.017) 3.589 9.149 ( 2.622 -1.764 -2.633) 4.113 9.209 ( 6.115 -0.781 1.167) 6.275 9.251 ( 3.545 0.274 0.974) 3.687 9.684 ( 1.873 3.091 1.798) 4.037 9.826 ( -0.627 1.190 -0.752) 1.542 10.359 ( 0.228 -4.312 2.550) 5.014 10.432 ( -0.384 -2.958 0.038) 2.983 10.459 ( 1.660 -3.090 -0.997) 3.646 10.643 ( -1.966 -13.930 -2.443) 14.278 11.891 ( 0.524 1.878 0.427) 1.996 11.966 ( -0.534 -5.244 -0.434) 5.289 12.096 ( -0.303 -4.147 -0.082) 4.158 12.190 ( -1.578 3.531 -0.809) 3.951 12.254 ( 0.107 -1.635 -0.690) 1.778 12.385 ( -5.051 15.967 -8.742) 18.891 12.738 ( 0.632 7.714 1.137) 7.823 12.768 ( -0.496 6.967 2.759) 7.509 12.911 ( -0.437 2.084 1.608) 2.668 13.011 ( -1.342 5.653 -1.008) 5.897 13.145 ( -2.308 3.823 0.738) 4.527 13.245 ( -2.861 3.467 3.206) 5.521 13.342 ( 0.309 9.733 1.101) 9.800 13.422 ( -1.843 11.490 -1.947) 11.798 13.569 ( 0.974 -2.878 2.326) 3.826 13.650 ( -7.560 6.143 -0.277) 9.745 13.697 ( -5.241 3.216 0.674) 6.185 13.752 ( -1.652 -3.150 -1.857) 4.012 13.964 ( 2.591 0.015 2.521) 3.616 14.040 ( 1.793 -0.140 3.574) 4.001 14.098 ( 2.213 -0.468 2.255) 3.194 14.194 ( -0.874 -1.904 -0.981) 2.313 14.482 ( -0.042 -3.573 8.948) 9.635 14.932 ( 1.575 5.075 0.242) 5.320 14.966 ( -0.768 5.796 -1.070) 5.943 15.236 ( -8.150 -7.043 -5.540) 12.112 15.891 ( 11.131 -9.245 -2.681) 14.716 16.014 ( 16.013 -19.036 -4.499) 25.279 16.427 ( 2.824 2.137 0.014) 3.542 16.448 ( 2.368 2.322 0.188) 3.322 16.663 ( -2.252 -0.947 0.286) 2.460 16.704 ( -2.985 -1.495 0.174) 3.343 18.353 ( 4.329 2.510 3.785) 6.275 18.493 ( 1.178 -1.008 1.210) 1.967 18.514 ( 1.771 6.708 1.380) 7.074 18.569 ( 4.409 -0.250 5.352) 6.939 18.670 ( 1.643 7.451 -1.110) 7.711 18.781 ( -0.371 8.101 -0.310) 8.116 19.151 ( -0.965 -1.162 -8.053) 8.193 19.327 ( -1.870 10.348 -15.125) 18.421 19.536 ( 11.689 -3.967 -3.029) 12.710 20.070 ( -0.229 -4.794 -9.123) 10.308 20.319 ( -9.644 -7.848 7.763) 14.658 20.475 ( -6.375 -9.539 2.346) 11.711======================= Grid point 42 (18/36) =======================q-point: ( 0.40 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( 8.639 0.807 11.173) 14.147 0.778 ( -7.783 1.107 2.500) 8.249 1.069 ( 9.911 8.602 0.258) 13.126 1.212 ( 1.732 1.218 -3.551) 4.134 1.309 ( 3.438 9.905 -0.914) 10.525 1.325 ( 1.070 7.287 0.665) 7.395 1.459 ( -3.893 15.614 -0.222) 16.093 1.505 ( -1.916 16.600 1.073) 16.744 1.592 ( 2.645 -5.455 -4.966) 7.837 1.734 ( -5.656 1.190 -3.504) 6.760 1.762 ( 3.940 -0.490 1.307) 4.180 1.855 ( -1.012 4.660 0.965) 4.865 1.965 ( 0.271 -0.273 -0.391) 0.548 2.013 ( -4.161 -1.191 -0.340) 4.342 2.081 ( 0.495 0.488 -2.545) 2.638 2.087 ( 0.655 -3.350 -1.910) 3.912 2.177 ( 2.040 -8.604 -1.508) 8.970 2.269 ( -3.373 -9.719 -4.221) 11.120 2.376 ( 3.210 -2.667 -0.873) 4.263 2.417 ( 4.164 -8.184 0.217) 9.185 2.475 ( -2.358 -2.244 -2.923) 4.375 2.507 ( -1.811 -2.326 -0.958) 3.100 2.650 ( 2.809 1.935 1.708) 3.815 2.755 ( -5.261 5.731 -0.727) 7.813 2.837 ( -1.861 -0.036 -0.235) 1.876 2.857 ( -0.971 -6.980 0.231) 7.051 2.923 ( 0.438 -2.787 -1.892) 3.397 2.974 ( -3.875 -0.300 -2.590) 4.671 3.113 ( 1.505 1.690 -0.013) 2.263 3.160 ( 5.664 1.407 -0.334) 5.846 3.219 ( -6.032 2.844 1.045) 6.750 3.289 ( -4.673 1.327 1.523) 5.091 3.396 ( -0.024 16.752 -1.877) 16.856 3.438 ( -3.299 15.101 -0.308) 15.460 3.662 ( -0.000 6.191 -1.480) 6.365 3.688 ( -2.770 7.895 -1.676) 8.533 3.891 ( 3.112 2.379 1.023) 4.048 3.910 ( 0.676 1.704 0.162) 1.841 3.953 ( 1.158 3.062 -0.527) 3.315 3.967 ( 0.350 2.574 -0.266) 2.612 4.297 ( 4.536 -3.293 1.272) 5.748 4.346 ( -0.161 -2.881 0.570) 2.941 4.492 ( -0.446 -1.276 0.314) 1.388 4.539 ( -4.242 0.569 -0.315) 4.291 4.781 ( 1.393 4.129 1.827) 4.725 4.822 ( -1.589 -1.495 2.087) 3.019 4.920 ( 0.573 1.450 -0.669) 1.696 4.927 ( 0.584 -4.390 -0.138) 4.430 4.977 ( -0.545 10.294 -1.099) 10.366 4.988 ( -0.155 5.273 -0.739) 5.327 5.125 ( 0.289 11.303 -0.692) 11.328 5.161 ( -2.206 10.271 -0.914) 10.545 5.341 ( 0.982 1.077 2.374) 2.785 5.354 ( -0.543 -0.677 1.796) 1.995 5.523 ( 2.220 7.784 -1.706) 8.272 5.542 ( 0.539 7.554 -1.803) 7.785 5.652 ( -3.219 -5.822 -0.010) 6.652 5.660 ( -3.262 -5.461 -0.063) 6.361 5.834 ( -0.066 -1.242 -2.264) 2.583 5.864 ( -3.425 -1.606 -0.941) 3.898 6.002 ( 0.705 7.071 -8.529) 11.101 6.032 ( -2.747 4.541 -4.997) 7.289 6.321 ( -0.009 5.292 -1.695) 5.556 6.339 ( -1.154 5.295 -4.239) 6.881 6.422 ( 0.856 3.569 1.876) 4.122 6.444 ( -1.406 6.217 0.953) 6.445 6.599 ( 1.338 -4.493 0.496) 4.714 6.621 ( -0.089 -6.149 -0.374) 6.161 6.889 ( 4.333 -1.083 0.650) 4.513 6.948 ( 2.795 -3.082 -0.608) 4.205 7.002 ( -0.176 -2.657 1.236) 2.936 7.093 ( -4.557 -5.423 -0.680) 7.116 7.777 ( 1.265 -8.479 1.999) 8.803 7.793 ( 0.173 -7.958 2.676) 8.398 8.118 ( 2.581 -2.822 -1.010) 3.955 8.202 ( -5.372 -0.838 -2.175) 5.855 8.612 ( 1.652 15.743 1.749) 15.926 8.670 ( -3.392 15.592 -0.168) 15.957 9.130 ( 3.055 -0.638 0.067) 3.122 9.172 ( -0.478 -2.684 -0.257) 2.739 9.304 ( 2.469 -1.321 1.629) 3.239 9.316 ( 1.495 -1.050 1.521) 2.377 9.743 ( 2.945 3.271 1.004) 4.515 9.798 ( -1.921 2.695 0.123) 3.312 10.381 ( 1.550 -3.683 1.206) 4.174 10.414 ( -1.274 -3.627 0.527) 3.880 10.512 ( 3.065 -6.267 -1.506) 7.137 10.584 ( -3.213 -10.341 -2.096) 11.030 11.907 ( 1.033 1.367 0.063) 1.714 11.939 ( -1.734 -0.045 -0.132) 1.740 12.104 ( 1.328 -4.649 -1.242) 4.992 12.146 ( -2.208 -1.429 -2.235) 3.452 12.269 ( 1.448 3.077 1.327) 3.650 12.310 ( -2.189 7.025 0.157) 7.360 12.746 ( 0.274 5.749 1.140) 5.867 12.754 ( -0.482 4.804 1.301) 5.001 12.932 ( 1.792 4.470 0.637) 4.857 12.973 ( -1.882 6.042 -0.465) 6.345 13.134 ( 1.020 3.581 3.858) 5.361 13.178 ( -2.763 3.128 5.792) 7.139 13.354 ( 0.805 9.925 0.658) 9.980 13.380 ( -1.635 10.767 -0.012) 10.890 13.571 ( -0.329 0.795 -1.501) 1.730 13.594 ( -1.586 -0.565 -1.391) 2.184 13.632 ( 1.519 0.043 0.727) 1.685 13.695 ( -3.182 -2.238 -0.827) 3.977 14.023 ( 2.329 -0.749 3.785) 4.507 14.054 ( -0.402 -0.724 4.300) 4.379 14.137 ( 1.485 -0.023 1.304) 1.976 14.168 ( -1.341 -1.111 -0.374) 1.781 14.655 ( 11.466 -3.641 -2.826) 12.357 14.891 ( -7.859 -0.155 -6.240) 10.036 14.977 ( 2.387 6.843 1.722) 7.449 15.051 ( -5.680 2.319 0.483) 6.154 16.073 ( 6.898 -10.665 -1.083) 12.748 16.171 ( -0.741 -14.701 -3.416) 15.110 16.509 ( 3.520 1.288 0.430) 3.773 16.518 ( 4.529 1.208 0.218) 4.692 16.596 ( -3.516 0.084 0.338) 3.533 16.624 ( -4.187 -0.185 0.001) 4.191 18.446 ( 2.959 1.505 1.782) 3.768 18.489 ( -1.226 0.547 0.650) 1.491 18.592 ( 4.732 7.502 2.656) 9.259 18.642 ( 1.125 3.492 4.502) 5.808 18.714 ( 2.219 8.085 -0.626) 8.407 18.760 ( -1.638 8.930 -0.454) 9.090 19.149 ( 1.228 0.029 -6.401) 6.517 19.227 ( -5.490 4.586 -7.413) 10.301 19.810 ( 11.641 -8.442 -2.111) 14.534 20.029 ( -7.086 -7.699 1.883) 10.632 20.178 ( 1.376 -8.239 -3.593) 9.093 20.307 ( -7.985 -8.295 -2.045) 11.694======================= Grid point 45 (19/36) =======================q-point: ( 0.00 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( 0.000 12.551 9.969) 16.029 0.951 ( 0.000 17.404 -2.998) 17.661 1.098 ( 0.000 -0.343 -1.738) 1.771 1.128 ( 0.000 5.329 -6.999) 8.797 1.287 ( 0.000 5.529 -8.285) 9.960 1.370 ( 0.000 -1.200 -7.028) 7.129 1.600 ( 0.000 3.213 5.603) 6.459 1.676 ( 0.000 -9.606 1.120) 9.671 1.766 ( 0.000 -3.585 -0.454) 3.614 1.772 ( 0.000 -2.010 0.917) 2.209 1.819 ( 0.000 1.672 -0.660) 1.797 1.898 ( 0.000 -0.665 2.869) 2.945 2.034 ( 0.000 0.238 -3.975) 3.982 2.043 ( 0.000 5.242 -2.701) 5.897 2.110 ( 0.000 12.159 -3.744) 12.722 2.117 ( 0.000 5.035 -4.811) 6.964 2.189 ( 0.000 -4.672 -0.136) 4.674 2.238 ( 0.000 -4.986 -3.658) 6.184 2.338 ( 0.000 -0.679 0.064) 0.682 2.353 ( 0.000 7.680 0.342) 7.688 2.472 ( 0.000 1.038 0.906) 1.378 2.498 ( 0.000 0.581 -2.173) 2.249 2.582 ( 0.000 -2.155 2.858) 3.579 2.771 ( 0.000 6.065 0.192) 6.068 2.889 ( 0.000 4.598 1.246) 4.764 2.961 ( 0.000 1.660 2.138) 2.707 3.062 ( 0.000 0.357 -0.697) 0.783 3.069 ( 0.000 -0.473 -0.497) 0.686 3.189 ( 0.000 -5.208 0.944) 5.293 3.326 ( 0.000 -5.848 -1.683) 6.086 3.393 ( 0.000 0.148 0.209) 0.256 3.441 ( 0.000 0.177 -1.011) 1.026 3.762 ( 0.000 11.390 -0.444) 11.399 3.772 ( 0.000 4.998 1.243) 5.150 3.812 ( 0.000 9.221 -1.052) 9.280 3.832 ( 0.000 7.316 0.740) 7.353 3.885 ( 0.000 -1.816 1.863) 2.601 3.900 ( 0.000 5.109 0.089) 5.110 4.015 ( 0.000 3.537 -1.506) 3.844 4.019 ( 0.000 -0.468 -2.123) 2.174 4.081 ( 0.000 4.691 -0.235) 4.696 4.104 ( 0.000 -4.852 0.689) 4.901 4.496 ( 0.000 -8.049 2.402) 8.400 4.569 ( 0.000 -14.326 0.527) 14.336 4.732 ( 0.000 -1.447 -0.553) 1.549 4.764 ( 0.000 0.502 0.372) 0.625 4.824 ( 0.000 3.015 1.481) 3.359 4.969 ( 0.000 5.164 0.328) 5.174 5.067 ( 0.000 1.450 -2.970) 3.305 5.075 ( 0.000 3.439 -2.154) 4.058 5.302 ( 0.000 2.145 2.508) 3.300 5.402 ( 0.000 2.593 4.526) 5.216 5.487 ( 0.000 -6.841 -0.807) 6.888 5.607 ( 0.000 10.207 -2.242) 10.450 5.690 ( 0.000 4.129 -2.810) 4.994 5.691 ( 0.000 9.887 1.745) 10.040 5.704 ( 0.000 -2.837 -2.516) 3.792 5.734 ( 0.000 -0.689 0.212) 0.721 5.735 ( 0.000 3.721 0.866) 3.821 5.906 ( 0.000 -3.816 -1.709) 4.181 6.129 ( 0.000 -2.495 -2.151) 3.294 6.199 ( 0.000 4.724 -5.144) 6.984 6.210 ( 0.000 -0.055 -0.964) 0.966 6.293 ( 0.000 -1.771 4.750) 5.069 6.321 ( 0.000 -6.827 -4.335) 8.087 6.549 ( 0.000 -2.675 -2.583) 3.718 6.596 ( 0.000 -6.280 0.353) 6.290 6.598 ( 0.000 -1.601 -0.020) 1.601 6.707 ( 0.000 -2.325 1.474) 2.753 6.785 ( 0.000 -0.379 -1.475) 1.523 6.854 ( 0.000 -8.361 1.154) 8.440 6.895 ( 0.000 -11.621 -0.687) 11.641 7.922 ( 0.000 23.694 1.621) 23.750 7.990 ( 0.000 19.864 -0.908) 19.885 8.132 ( 0.000 1.403 1.592) 2.122 8.506 ( 0.000 -2.218 -10.755) 10.981 8.840 ( 0.000 -1.359 2.236) 2.616 8.892 ( 0.000 2.717 -1.247) 2.990 9.044 ( 0.000 -1.937 0.445) 1.987 9.070 ( 0.000 2.606 -2.677) 3.736 9.222 ( 0.000 4.549 1.056) 4.670 9.245 ( 0.000 2.136 2.674) 3.422 9.579 ( 0.000 -11.280 3.103) 11.699 9.725 ( 0.000 -13.661 -0.181) 13.663 10.299 ( 0.000 0.018 0.311) 0.312 10.373 ( 0.000 -7.470 -1.092) 7.549 10.410 ( 0.000 -0.688 -1.106) 1.302 10.416 ( 0.000 -0.214 -2.322) 2.332 11.861 ( 0.000 -1.778 -0.390) 1.820 11.901 ( 0.000 0.552 -0.808) 0.978 12.012 ( 0.000 -3.903 0.830) 3.990 12.131 ( 0.000 -6.243 -0.875) 6.304 12.457 ( 0.000 13.922 1.251) 13.978 12.693 ( 0.000 4.136 -6.774) 7.937 12.891 ( 0.000 2.956 2.633) 3.959 12.922 ( 0.000 8.231 2.773) 8.686 12.942 ( 0.000 1.458 2.747) 3.110 13.159 ( 0.000 8.944 -0.742) 8.975 13.309 ( 0.000 6.782 -1.972) 7.063 13.378 ( 0.000 -5.130 -0.074) 5.131 13.426 ( 0.000 3.291 -7.946) 8.600 13.573 ( 0.000 1.578 -1.992) 2.541 13.642 ( 0.000 4.317 3.034) 5.276 13.643 ( 0.000 2.674 2.543) 3.690 13.871 ( 0.000 -2.818 0.831) 2.938 13.927 ( 0.000 -2.624 -0.206) 2.632 13.943 ( 0.000 2.281 -0.900) 2.452 14.058 ( 0.000 2.687 1.849) 3.262 14.116 ( 0.000 2.076 -1.184) 2.390 14.149 ( 0.000 8.328 -2.062) 8.579 14.644 ( 0.000 -10.419 8.733) 13.595 14.896 ( 0.000 -4.812 2.215) 5.297 15.015 ( 0.000 3.366 0.501) 3.403 15.101 ( 0.000 3.521 -4.645) 5.829 15.363 ( 0.000 -5.106 4.457) 6.778 15.639 ( 0.000 -9.865 -2.468) 10.169 16.476 ( 0.000 4.026 -1.211) 4.204 16.482 ( 0.000 3.643 -0.138) 3.646 16.643 ( 0.000 -2.938 0.032) 2.938 16.666 ( 0.000 -4.359 0.763) 4.425 18.418 ( 0.000 6.966 2.206) 7.307 18.437 ( 0.000 -0.849 1.231) 1.495 18.465 ( 0.000 -0.290 6.231) 6.238 18.640 ( 0.000 4.898 1.373) 5.087 18.853 ( 0.000 9.269 -2.654) 9.641 18.965 ( 0.000 8.939 2.383) 9.251 19.041 ( 0.000 -5.852 -5.310) 7.902 19.316 ( 0.000 -6.429 4.285) 7.726 19.622 ( 0.000 7.903 -16.359) 18.168 19.933 ( 0.000 -8.647 -9.673) 12.974 20.324 ( 0.000 -6.434 2.508) 6.905 20.343 ( 0.000 -4.652 1.340) 4.841======================= Grid point 46 (20/36) =======================q-point: ( 0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -0.359 12.542 9.826) 15.937 0.995 ( 1.542 15.271 -1.671) 15.439 1.076 ( 2.444 -4.392 -4.358) 6.652 1.188 ( -1.855 4.290 -6.656) 8.133 1.292 ( 6.859 5.044 -4.190) 9.489 1.405 ( 1.020 1.667 -4.518) 4.923 1.544 ( -7.812 -2.776 -0.381) 8.299 1.639 ( 0.794 5.296 4.171) 6.788 1.731 ( 1.970 -9.181 0.832) 9.426 1.839 ( 1.553 -1.924 3.271) 4.101 1.844 ( -2.496 -2.703 0.452) 3.707 1.903 ( -0.651 -2.004 -3.168) 3.804 1.972 ( -2.187 -1.097 -1.788) 3.030 2.019 ( -2.688 -1.732 -1.488) 3.527 2.067 ( -1.892 11.246 -1.947) 11.568 2.116 ( -4.848 -4.281 -0.406) 6.481 2.145 ( 0.741 11.918 -3.930) 12.571 2.179 ( -4.541 -4.751 -3.692) 7.538 2.261 ( -2.386 4.684 -0.232) 5.262 2.384 ( 0.895 -3.576 -2.445) 4.423 2.431 ( -1.344 4.162 1.012) 4.489 2.550 ( 0.876 0.628 -3.573) 3.732 2.637 ( 4.001 -2.194 2.834) 5.372 2.791 ( -0.037 -1.477 -0.239) 1.497 2.894 ( -0.711 3.950 0.186) 4.018 2.961 ( -2.014 2.777 0.173) 3.435 3.016 ( 0.559 3.853 1.495) 4.171 3.060 ( -3.706 2.811 0.267) 4.659 3.110 ( -3.985 -4.568 0.122) 6.063 3.170 ( -8.799 -0.569 0.388) 8.826 3.390 ( -1.854 -1.573 -0.452) 2.473 3.403 ( -3.024 0.856 -0.765) 3.235 3.739 ( -1.290 7.878 -0.049) 7.983 3.758 ( -1.321 7.870 0.449) 7.992 3.810 ( 0.184 7.554 -1.351) 7.676 3.843 ( -0.624 4.773 -1.192) 4.959 3.909 ( 3.912 5.450 1.534) 6.881 3.943 ( 2.175 5.444 1.264) 5.997 4.028 ( 1.836 3.571 -1.582) 4.316 4.055 ( 0.368 4.234 -1.628) 4.551 4.117 ( 4.279 0.750 1.077) 4.475 4.171 ( 5.306 -5.166 0.171) 7.408 4.467 ( -2.472 -6.430 2.148) 7.216 4.555 ( -1.690 -12.070 0.468) 12.196 4.725 ( -0.831 -1.555 -0.717) 1.904 4.744 ( -0.385 -2.555 -0.005) 2.584 4.798 ( -1.913 0.856 1.564) 2.614 4.988 ( -4.566 -1.078 -1.347) 4.881 5.022 ( 2.459 6.995 -0.776) 7.455 5.095 ( 1.563 4.001 -1.537) 4.562 5.309 ( 0.590 2.458 2.381) 3.473 5.373 ( -1.873 1.643 3.876) 4.608 5.504 ( 0.567 -7.178 -0.048) 7.201 5.569 ( -3.382 7.993 -1.619) 8.829 5.604 ( -4.511 2.987 -0.835) 5.474 5.642 ( -4.436 6.336 -0.889) 7.785 5.698 ( 0.049 4.725 -1.960) 5.115 5.729 ( -0.503 4.684 -1.266) 4.878 5.768 ( 1.302 0.167 0.489) 1.400 5.873 ( -2.706 -1.583 -0.398) 3.161 6.159 ( 2.238 -0.955 -2.547) 3.522 6.198 ( -0.246 3.517 -0.582) 3.573 6.223 ( 1.677 1.928 -6.140) 6.651 6.284 ( -0.302 -3.077 3.204) 4.453 6.367 ( 2.576 -7.487 -2.072) 8.184 6.524 ( -2.811 -2.614 -1.214) 4.026 6.562 ( -1.647 -3.313 0.025) 3.700 6.567 ( -2.101 -5.772 0.066) 6.143 6.732 ( 2.218 -4.411 0.990) 5.035 6.809 ( 1.724 0.264 -1.228) 2.133 6.880 ( 1.555 -9.201 0.517) 9.346 6.903 ( 0.259 -10.841 -0.141) 10.845 7.918 ( -0.197 21.895 1.438) 21.943 7.978 ( -0.973 18.499 0.423) 18.529 8.134 ( 0.393 3.742 -0.001) 3.763 8.440 ( -5.996 0.747 -9.380) 11.158 8.788 ( -1.120 4.162 3.473) 5.535 8.932 ( -0.220 3.258 -2.898) 4.366 9.020 ( 0.564 -4.792 1.607) 5.086 9.108 ( 1.284 -0.721 -1.859) 2.372 9.252 ( 2.314 3.697 2.525) 5.040 9.270 ( 2.173 1.889 1.910) 3.455 9.619 ( 3.253 -10.012 2.241) 10.763 9.732 ( 0.496 -12.822 -0.026) 12.831 10.306 ( 0.671 -0.124 0.253) 0.728 10.380 ( 0.525 -6.594 -1.176) 6.719 10.400 ( -1.243 -0.382 -1.675) 2.121 10.407 ( -0.252 -1.111 -1.222) 1.670 11.863 ( 0.372 -1.732 -0.079) 1.773 11.905 ( 0.264 0.065 -0.607) 0.665 12.005 ( -0.558 -3.965 0.732) 4.070 12.111 ( -1.890 -5.858 -0.886) 6.219 12.461 ( 0.664 13.819 1.461) 13.912 12.667 ( -2.352 7.039 -6.596) 9.929 12.855 ( -2.070 3.157 2.245) 4.392 12.892 ( -3.769 2.592 2.922) 5.428 12.966 ( 2.767 5.792 4.109) 7.622 13.173 ( 0.478 8.487 -1.871) 8.704 13.261 ( -2.183 5.242 -0.057) 5.678 13.329 ( -5.580 3.478 -1.118) 6.669 13.460 ( 3.007 -2.531 -0.848) 4.021 13.558 ( -3.411 3.591 0.068) 4.953 13.572 ( -0.835 0.046 -1.179) 1.446 13.664 ( -7.137 -1.503 0.873) 7.346 13.685 ( -0.508 3.592 2.281) 4.285 13.922 ( -1.302 1.618 0.694) 2.190 14.038 ( -0.132 0.689 2.306) 2.411 14.043 ( -3.960 6.985 -1.261) 8.127 14.139 ( -0.162 0.393 -2.189) 2.230 14.151 ( 2.655 8.592 2.177) 9.253 14.365 ( -0.804 -6.443 7.717) 10.085 14.923 ( -5.323 -11.873 -2.197) 13.196 15.098 ( 3.471 7.234 -3.167) 8.625 15.186 ( 3.272 6.771 -1.483) 7.665 15.597 ( 15.312 -13.813 0.747) 20.635 15.704 ( 5.103 -11.949 -0.599) 13.006 16.488 ( 1.734 3.301 -0.246) 3.737 16.509 ( 1.566 3.209 0.183) 3.576 16.629 ( -1.223 -2.279 0.151) 2.591 16.651 ( -1.219 -3.145 0.475) 3.406 18.458 ( 3.164 5.417 1.937) 6.565 18.481 ( 2.640 1.219 1.664) 3.350 18.538 ( 5.632 -1.500 4.993) 7.675 18.673 ( 2.716 4.983 1.872) 5.976 18.869 ( 1.628 9.267 -2.397) 9.709 18.981 ( 1.282 9.857 1.339) 10.029 19.071 ( 3.154 -2.948 -5.163) 6.730 19.377 ( 5.643 -7.132 3.970) 9.923 19.575 ( -4.336 7.023 -16.227) 18.205 19.916 ( -1.169 -9.246 -8.735) 12.773 20.145 ( -12.502 -5.645 5.053) 14.619 20.280 ( -7.222 -8.209 0.012) 10.933======================= Grid point 47 (21/36) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( 7.139 11.274 6.653) 14.911 0.893 ( -9.445 9.529 0.614) 13.431 1.203 ( 7.870 -3.376 -3.328) 9.187 1.252 ( 5.777 9.209 -1.644) 10.995 1.370 ( -2.384 -6.180 -3.828) 7.650 1.418 ( -2.308 0.822 -2.296) 3.358 1.478 ( 5.505 2.563 -0.916) 6.141 1.636 ( -8.358 -2.277 -3.802) 9.460 1.672 ( 1.710 -2.028 1.269) 2.940 1.759 ( -4.151 -3.037 -0.573) 5.175 1.853 ( -2.073 -1.316 -0.060) 2.456 1.888 ( 3.975 -6.059 -1.243) 7.352 1.928 ( -6.522 -5.526 -0.653) 8.574 1.962 ( 0.281 -3.231 0.933) 3.375 2.010 ( -1.594 2.512 2.553) 3.920 2.039 ( -3.896 -3.598 0.126) 5.305 2.124 ( 1.553 4.889 -1.369) 5.310 2.139 ( 0.669 7.030 -0.849) 7.113 2.329 ( 3.958 0.978 -3.241) 5.208 2.392 ( -2.476 3.321 -1.394) 4.371 2.412 ( 3.233 -0.924 -3.799) 5.073 2.514 ( -3.985 2.400 -4.582) 6.530 2.697 ( 1.513 -1.277 2.426) 3.131 2.744 ( -2.901 -3.936 1.007) 4.992 2.885 ( -0.327 2.799 -1.206) 3.065 2.892 ( -1.460 2.150 -0.579) 2.663 2.931 ( -4.087 2.516 -0.092) 4.800 2.942 ( -5.437 3.668 0.227) 6.562 3.119 ( 3.767 -1.227 1.357) 4.188 3.148 ( 1.659 3.071 0.594) 3.541 3.330 ( -2.679 2.621 -0.562) 3.790 3.334 ( -2.538 1.109 -0.480) 2.811 3.721 ( -0.166 7.580 0.242) 7.586 3.731 ( -0.939 8.167 -0.078) 8.221 3.815 ( 0.228 5.759 -1.970) 6.091 3.824 ( -0.698 5.712 -2.134) 6.137 3.984 ( 1.777 7.799 1.144) 8.080 3.998 ( 1.855 7.946 1.427) 8.284 4.052 ( 0.451 5.960 -0.703) 6.018 4.063 ( 0.665 5.175 -0.140) 5.219 4.228 ( 4.760 -2.581 1.366) 5.584 4.275 ( 2.202 -3.269 0.756) 4.014 4.417 ( -0.471 -5.144 0.649) 5.206 4.483 ( -4.472 -6.252 -0.192) 7.690 4.726 ( 1.192 -3.438 -0.057) 3.639 4.757 ( -1.237 -2.316 0.779) 2.739 4.763 ( 1.740 -6.318 -0.409) 6.566 4.853 ( -5.889 -3.794 -1.486) 7.161 5.103 ( 3.095 7.070 0.406) 7.728 5.127 ( 0.781 5.475 -0.134) 5.532 5.326 ( 0.786 3.341 2.117) 4.032 5.341 ( -0.735 2.583 2.580) 3.724 5.483 ( -2.663 -1.376 -0.429) 3.028 5.491 ( -3.022 -6.720 0.068) 7.368 5.524 ( -0.411 4.365 -0.810) 4.459 5.558 ( -2.944 6.990 -0.790) 7.626 5.712 ( 1.290 5.592 -2.357) 6.204 5.736 ( 0.220 9.328 -2.300) 9.610 5.774 ( 0.167 0.245 0.402) 0.500 5.810 ( -2.566 2.320 0.238) 3.467 6.201 ( 1.153 5.645 -4.014) 7.022 6.205 ( 0.639 4.040 -0.983) 4.207 6.261 ( 1.273 -1.912 -4.789) 5.312 6.276 ( -0.426 -3.592 0.489) 3.650 6.411 ( 1.583 -7.731 0.157) 7.893 6.455 ( -2.701 -5.313 0.540) 5.985 6.531 ( -0.825 -5.015 0.509) 5.108 6.534 ( -0.912 -4.065 0.140) 4.168 6.796 ( 3.161 -7.877 0.220) 8.491 6.840 ( 0.141 -5.415 -1.054) 5.518 6.891 ( -0.140 -6.936 0.388) 6.948 6.901 ( -0.358 -6.548 0.343) 6.567 7.923 ( 0.801 18.589 1.446) 18.662 7.951 ( -1.439 16.869 1.670) 17.012 8.169 ( 3.223 7.304 -2.345) 8.321 8.283 ( -6.969 6.577 -4.916) 10.770 8.810 ( 2.516 4.144 2.069) 5.271 8.878 ( -3.358 3.520 -0.053) 4.865 9.066 ( 2.489 -4.921 -0.047) 5.514 9.108 ( -1.127 -2.811 -1.108) 3.225 9.305 ( 1.869 2.175 2.783) 3.996 9.314 ( 1.126 1.844 2.044) 2.974 9.694 ( 2.931 -9.550 1.097) 10.049 9.734 ( -0.677 -10.925 0.423) 10.954 10.329 ( 1.452 -0.364 -0.115) 1.502 10.365 ( -1.696 -0.540 -0.872) 1.982 10.393 ( 0.467 -4.688 -1.149) 4.850 10.401 ( -0.287 -2.655 -1.192) 2.924 11.881 ( 1.182 -1.370 0.126) 1.814 11.904 ( -0.589 -0.551 -0.034) 0.808 12.002 ( 0.953 -4.645 0.111) 4.743 12.052 ( -3.065 -5.243 -0.654) 6.108 12.500 ( 3.096 13.913 1.195) 14.303 12.589 ( -4.447 13.149 -2.324) 14.074 12.812 ( -0.816 0.595 2.624) 2.812 12.828 ( -1.816 1.490 1.132) 2.608 13.036 ( 3.596 5.637 4.790) 8.225 13.123 ( -4.257 7.330 1.888) 8.685 13.246 ( 0.252 5.632 1.468) 5.826 13.254 ( -0.766 2.782 2.108) 3.574 13.492 ( -0.355 -1.615 -0.591) 1.756 13.514 ( -1.956 -0.010 -0.056) 1.957 13.541 ( 0.800 -0.873 -2.030) 2.350 13.574 ( -1.491 -2.786 -2.461) 4.005 13.713 ( 2.572 8.898 2.396) 9.567 13.812 ( -6.285 11.412 0.926) 13.061 13.997 ( 0.653 -1.867 3.558) 4.071 14.020 ( -1.133 -2.203 3.766) 4.508 14.166 ( 1.416 2.177 -2.088) 3.332 14.181 ( 0.207 5.885 0.135) 5.890 14.518 ( 9.899 -8.719 -2.612) 13.447 14.740 ( -9.862 -11.643 -5.162) 16.108 15.186 ( 3.366 11.633 -0.026) 12.110 15.223 ( 0.205 11.090 0.427) 11.100 15.787 ( 4.289 -14.718 -0.619) 15.342 15.819 ( 2.343 -16.225 -0.748) 16.410 16.543 ( 2.544 1.727 0.390) 3.100 16.550 ( 2.426 1.643 0.369) 2.953 16.594 ( -1.798 -0.370 0.508) 1.905 16.613 ( -2.283 -0.881 0.341) 2.471 18.515 ( 1.389 3.931 1.664) 4.488 18.520 ( 0.804 3.241 1.583) 3.695 18.657 ( 4.528 -1.812 3.277) 5.876 18.715 ( -0.212 0.857 2.344) 2.505 18.934 ( 4.031 11.841 -1.192) 12.565 18.995 ( -0.800 12.352 -0.313) 12.381 19.196 ( 8.329 4.928 -6.522) 11.670 19.407 ( -9.055 10.184 -9.814) 16.794 19.575 ( 10.144 -12.046 1.037) 15.782 19.830 ( -11.805 -8.421 3.963) 15.032 19.946 ( 1.850 -12.590 -4.542) 13.511 20.082 ( -9.061 -11.816 -2.079) 15.034======================= Grid point 50 (22/36) =======================q-point: ( 0.00 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( 0.000 -11.345 -0.391) 11.351 0.931 ( 0.000 11.345 -0.391) 11.351 1.248 ( 0.000 -4.427 -8.605) 9.678 1.248 ( 0.000 4.427 -8.605) 9.678 1.352 ( 0.000 -6.719 -6.186) 9.133 1.352 ( 0.000 6.719 -6.186) 9.133 1.528 ( 0.000 -1.822 1.567) 2.403 1.528 ( 0.000 1.822 1.567) 2.403 1.706 ( 0.000 -0.693 4.608) 4.660 1.706 ( 0.000 0.693 4.608) 4.660 1.861 ( 0.000 -1.539 4.533) 4.787 1.861 ( 0.000 1.539 4.533) 4.787 2.065 ( 0.000 -1.811 -5.750) 6.029 2.065 ( 0.000 1.811 -5.750) 6.029 2.152 ( 0.000 -1.499 -3.301) 3.626 2.152 ( 0.000 1.499 -3.301) 3.626 2.263 ( 0.000 -4.431 -1.114) 4.569 2.263 ( 0.000 4.431 -1.114) 4.569 2.374 ( 0.000 -6.314 -2.957) 6.972 2.374 ( 0.000 6.314 -2.957) 6.972 2.486 ( 0.000 -0.800 -1.234) 1.471 2.486 ( 0.000 0.800 -1.234) 1.471 2.679 ( 0.000 -9.605 3.348) 10.172 2.679 ( 0.000 9.605 3.348) 10.172 2.988 ( 0.000 -0.649 1.488) 1.623 2.988 ( 0.000 0.649 1.488) 1.623 3.078 ( 0.000 -2.076 -1.097) 2.348 3.078 ( 0.000 2.076 -1.097) 2.348 3.293 ( 0.000 -11.497 0.193) 11.499 3.293 ( 0.000 11.497 0.193) 11.499 3.309 ( 0.000 -4.379 0.324) 4.391 3.309 ( 0.000 4.379 0.324) 4.391 3.816 ( 0.000 -0.075 -0.090) 0.117 3.816 ( 0.000 0.075 -0.090) 0.117 3.896 ( 0.000 -2.362 1.670) 2.892 3.896 ( 0.000 2.362 1.670) 2.892 3.946 ( 0.000 -2.406 -0.935) 2.582 3.946 ( 0.000 2.406 -0.935) 2.582 4.061 ( 0.000 -0.764 -1.320) 1.525 4.061 ( 0.000 0.764 -1.320) 1.525 4.186 ( 0.000 -4.922 -1.698) 5.207 4.186 ( 0.000 4.922 -1.698) 5.207 4.311 ( 0.000 -1.030 2.836) 3.017 4.311 ( 0.000 1.030 2.836) 3.017 4.732 ( 0.000 -1.078 2.360) 2.594 4.732 ( 0.000 1.078 2.360) 2.594 4.961 ( 0.000 -6.385 -1.046) 6.470 4.961 ( 0.000 6.385 -1.046) 6.470 5.144 ( 0.000 -1.928 -4.094) 4.525 5.144 ( 0.000 1.928 -4.094) 4.525 5.309 ( 0.000 -3.136 2.171) 3.814 5.309 ( 0.000 3.136 2.171) 3.814 5.493 ( 0.000 -8.727 2.345) 9.037 5.493 ( 0.000 8.727 2.345) 9.037 5.687 ( 0.000 -2.940 -2.199) 3.671 5.687 ( 0.000 2.940 -2.199) 3.671 5.838 ( 0.000 -0.832 -1.150) 1.419 5.838 ( 0.000 0.832 -1.150) 1.419 5.885 ( 0.000 -2.323 -0.610) 2.401 5.885 ( 0.000 2.323 -0.610) 2.401 6.161 ( 0.000 -5.958 -1.778) 6.218 6.161 ( 0.000 5.958 -1.778) 6.218 6.227 ( 0.000 -1.647 -0.002) 1.647 6.227 ( 0.000 1.647 -0.002) 1.647 6.356 ( 0.000 -9.092 3.262) 9.659 6.356 ( 0.000 9.092 3.262) 9.659 6.517 ( 0.000 -1.138 -0.694) 1.333 6.517 ( 0.000 1.138 -0.694) 1.333 6.694 ( 0.000 -2.166 -0.261) 2.182 6.694 ( 0.000 2.166 -0.261) 2.182 6.831 ( 0.000 -1.143 -1.513) 1.896 6.831 ( 0.000 1.143 -1.513) 1.896 8.183 ( 0.000 -1.880 0.023) 1.880 8.183 ( 0.000 1.880 0.023) 1.880 8.400 ( 0.000 -13.847 -3.815) 14.363 8.400 ( 0.000 13.847 -3.815) 14.363 8.945 ( 0.000 -0.665 -0.137) 0.679 8.945 ( 0.000 0.665 -0.137) 0.679 8.990 ( 0.000 -7.193 0.953) 7.256 8.990 ( 0.000 7.193 0.953) 7.256 9.321 ( 0.000 -4.808 1.784) 5.128 9.321 ( 0.000 4.808 1.784) 5.128 9.380 ( 0.000 -8.696 0.822) 8.734 9.380 ( 0.000 8.696 0.822) 8.734 10.314 ( 0.000 -0.834 -0.080) 0.838 10.314 ( 0.000 0.834 -0.080) 0.838 10.410 ( 0.000 -0.400 -1.747) 1.792 10.410 ( 0.000 0.400 -1.747) 1.792 11.881 ( 0.000 -2.630 -0.748) 2.735 11.881 ( 0.000 2.630 -0.748) 2.735 12.009 ( 0.000 -4.237 0.167) 4.241 12.009 ( 0.000 4.237 0.167) 4.241 12.679 ( 0.000 -5.382 -0.113) 5.383 12.679 ( 0.000 5.382 -0.113) 5.383 12.928 ( 0.000 -0.971 2.195) 2.400 12.928 ( 0.000 0.971 2.195) 2.400 13.159 ( 0.000 -11.036 2.255) 11.264 13.159 ( 0.000 11.036 2.255) 11.264 13.396 ( 0.000 -10.074 -0.516) 10.087 13.396 ( 0.000 10.074 -0.516) 10.087 13.443 ( 0.000 -3.875 -4.988) 6.317 13.443 ( 0.000 3.875 -4.988) 6.317 13.737 ( 0.000 -3.666 1.233) 3.868 13.737 ( 0.000 3.666 1.233) 3.868 13.850 ( 0.000 -3.829 -0.787) 3.909 13.850 ( 0.000 3.829 -0.787) 3.909 14.022 ( 0.000 -4.777 -2.807) 5.541 14.022 ( 0.000 4.777 -2.807) 5.541 14.191 ( 0.000 -7.799 10.345) 12.956 14.191 ( 0.000 7.799 10.345) 12.956 14.692 ( 0.000 -12.101 -3.217) 12.521 14.692 ( 0.000 12.101 -3.217) 12.521 15.084 ( 0.000 -3.043 -0.956) 3.190 15.084 ( 0.000 3.043 -0.956) 3.190 15.428 ( 0.000 -8.676 1.316) 8.775 15.428 ( 0.000 8.676 1.316) 8.775 16.564 ( 0.000 -1.827 -0.327) 1.856 16.564 ( 0.000 1.827 -0.327) 1.856 16.571 ( 0.000 -2.131 -0.400) 2.168 16.571 ( 0.000 2.131 -0.400) 2.168 18.435 ( 0.000 -0.570 3.924) 3.965 18.435 ( 0.000 0.570 3.924) 3.965 18.607 ( 0.000 -7.287 0.972) 7.352 18.607 ( 0.000 7.287 0.972) 7.352 18.978 ( 0.000 -1.763 -3.541) 3.955 18.978 ( 0.000 1.763 -3.541) 3.955 19.156 ( 0.000 -8.176 3.829) 9.028 19.156 ( 0.000 8.176 3.829) 9.028 19.751 ( 0.000 -6.775 -8.768) 11.081 19.751 ( 0.000 6.775 -8.768) 11.081 20.275 ( 0.000 -1.201 -1.550) 1.961 20.275 ( 0.000 1.201 -1.550) 1.961======================= Grid point 52 (23/36) =======================q-point: ( 0.20 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -0.368 -11.597 0.487) 11.613 0.905 ( -0.368 11.597 0.487) 11.613 1.226 ( -1.398 -2.863 -8.462) 9.041 1.226 ( -1.398 2.863 -8.462) 9.041 1.421 ( 2.752 -9.446 -2.366) 10.120 1.421 ( 2.752 9.446 -2.366) 10.120 1.540 ( 2.104 -9.398 -0.584) 9.648 1.540 ( 2.104 9.398 -0.584) 9.648 1.707 ( -2.700 -7.777 1.409) 8.352 1.707 ( -2.700 7.777 1.409) 8.352 1.789 ( -1.842 -1.060 5.429) 5.831 1.789 ( -1.842 1.060 5.429) 5.831 1.991 ( -6.411 -1.897 -3.411) 7.506 1.991 ( -6.411 1.897 -3.411) 7.506 2.092 ( -5.982 -2.689 -1.660) 6.765 2.092 ( -5.982 2.689 -1.660) 6.765 2.276 ( 1.254 -3.826 -2.258) 4.616 2.276 ( 1.254 3.826 -2.258) 4.616 2.374 ( 1.384 -6.809 -4.712) 8.396 2.374 ( 1.384 6.809 -4.712) 8.396 2.526 ( 2.289 -3.642 -1.243) 4.477 2.526 ( 2.289 3.642 -1.243) 4.477 2.622 ( -4.136 -8.675 3.517) 10.233 2.622 ( -4.136 8.675 3.517) 10.233 2.996 ( 0.269 -3.543 0.926) 3.672 2.996 ( 0.269 3.543 0.926) 3.672 3.033 ( -4.314 -2.813 -0.173) 5.153 3.033 ( -4.314 2.813 -0.173) 5.153 3.255 ( -2.746 -9.094 -0.280) 9.504 3.255 ( -2.746 9.094 -0.280) 9.504 3.297 ( -0.224 -8.674 0.300) 8.682 3.297 ( -0.224 8.674 0.300) 8.682 3.814 ( 0.071 -0.656 -0.684) 0.950 3.814 ( 0.071 0.656 -0.684) 0.950 3.879 ( -1.366 -2.089 1.086) 2.722 3.879 ( -1.366 2.089 1.086) 2.722 4.014 ( 5.145 -2.790 -1.090) 5.953 4.014 ( 5.145 2.790 -1.090) 5.953 4.095 ( 2.573 -0.970 -0.247) 2.761 4.095 ( 2.573 0.970 -0.247) 2.761 4.214 ( 2.200 -4.067 -1.146) 4.764 4.214 ( 2.200 4.067 -1.146) 4.764 4.311 ( -0.135 -0.480 2.494) 2.543 4.311 ( -0.135 0.480 2.494) 2.543 4.706 ( -1.806 -0.814 1.533) 2.505 4.706 ( -1.806 0.814 1.533) 2.505 4.901 ( -5.036 -6.078 -1.780) 8.091 4.901 ( -5.036 6.078 -1.780) 8.091 5.181 ( 3.009 -1.475 -2.400) 4.122 5.181 ( 3.009 1.475 -2.400) 4.122 5.311 ( 0.254 -3.642 2.333) 4.333 5.311 ( 0.254 3.642 2.333) 4.333 5.470 ( -1.810 -8.601 1.826) 8.977 5.470 ( -1.810 8.601 1.826) 8.977 5.634 ( -4.485 -3.762 -1.732) 6.105 5.634 ( -4.485 3.762 -1.732) 6.105 5.843 ( 0.526 -2.070 -1.394) 2.551 5.843 ( 0.526 2.070 -1.394) 2.551 5.887 ( 0.075 -2.786 -1.003) 2.962 5.887 ( 0.075 2.786 -1.003) 2.962 6.170 ( 0.861 -5.433 -1.385) 5.673 6.170 ( 0.861 5.433 -1.385) 5.673 6.227 ( -0.025 -2.052 -0.239) 2.066 6.227 ( -0.025 2.052 -0.239) 2.066 6.356 ( 0.172 -7.855 3.137) 8.460 6.356 ( 0.172 7.855 3.137) 8.460 6.481 ( -2.661 -1.332 -0.171) 2.981 6.481 ( -2.661 1.332 -0.171) 2.981 6.725 ( 2.183 -3.656 -0.515) 4.289 6.725 ( 2.183 3.656 -0.515) 4.289 6.825 ( -0.634 -1.694 -1.512) 2.358 6.825 ( -0.634 1.694 -1.512) 2.358 8.193 ( 0.968 -3.094 0.006) 3.242 8.193 ( 0.968 3.094 0.006) 3.242 8.365 ( -2.844 -12.713 -2.983) 13.365 8.365 ( -2.844 12.713 -2.983) 13.365 8.944 ( 0.016 -2.699 -0.208) 2.707 8.944 ( 0.016 2.699 -0.208) 2.707 8.983 ( -0.634 -9.377 0.500) 9.411 8.983 ( -0.634 9.377 0.500) 9.411 9.364 ( 3.311 -6.606 1.773) 7.599 9.364 ( 3.311 6.606 1.773) 7.599 9.406 ( 1.985 -8.835 1.015) 9.113 9.406 ( 1.985 8.835 1.015) 9.113 10.324 ( 0.807 -1.154 -0.202) 1.422 10.324 ( 0.807 1.154 -0.202) 1.422 10.400 ( -0.888 -0.179 -1.597) 1.836 10.400 ( -0.888 0.179 -1.597) 1.836 11.882 ( 0.251 -2.575 -0.422) 2.622 11.882 ( 0.251 2.575 -0.422) 2.622 11.996 ( -1.270 -3.899 0.217) 4.107 11.996 ( -1.270 3.899 0.217) 4.107 12.683 ( 0.655 -5.136 0.100) 5.178 12.683 ( 0.655 5.136 0.100) 5.178 12.898 ( -2.732 -0.940 2.203) 3.633 12.898 ( -2.732 0.940 2.203) 3.633 13.150 ( 0.014 -9.267 2.774) 9.673 13.150 ( 0.014 9.267 2.774) 9.673 13.386 ( -1.834 -5.606 -0.902) 5.967 13.386 ( -1.834 5.606 -0.902) 5.967 13.463 ( 1.287 -3.392 -4.158) 5.518 13.463 ( 1.287 3.392 -4.158) 5.518 13.598 ( -7.544 -2.187 0.753) 7.891 13.598 ( -7.544 2.187 0.753) 7.891 13.867 ( 0.652 -6.149 1.354) 6.330 13.867 ( 0.652 6.149 1.354) 6.330 14.075 ( -1.691 -2.024 2.659) 3.745 14.075 ( -1.691 2.024 2.659) 3.745 14.164 ( 3.071 -7.242 2.764) 8.338 14.164 ( 3.071 7.242 2.764) 8.338 14.575 ( -6.599 -18.567 -2.563) 19.870 14.575 ( -6.599 18.567 -2.563) 19.870 15.262 ( 10.487 -5.879 -3.411) 12.497 15.262 ( 10.487 5.879 -3.411) 12.497 15.472 ( 3.206 -7.086 2.311) 8.114 15.472 ( 3.206 7.086 2.311) 8.114 16.563 ( 0.202 -3.402 -0.297) 3.421 16.563 ( 0.202 3.402 -0.297) 3.421 16.581 ( 0.572 -3.111 0.401) 3.189 16.581 ( 0.572 3.111 0.401) 3.189 18.491 ( 4.270 -1.384 3.243) 5.538 18.491 ( 4.270 1.384 3.243) 5.538 18.636 ( 1.736 -6.835 1.407) 7.191 18.636 ( 1.736 6.835 1.407) 7.191 19.025 ( 4.877 -4.195 -3.460) 7.304 19.025 ( 4.877 4.195 -3.460) 7.304 19.195 ( 3.464 -9.193 2.468) 10.130 19.195 ( 3.464 9.193 2.468) 10.130 19.714 ( -3.105 -7.775 -8.152) 11.685 19.714 ( -3.105 7.775 -8.152) 11.685 20.137 ( -11.619 -4.274 -0.685) 12.399 20.137 ( -11.619 4.274 -0.685) 12.399======================= Grid point 54 (24/36) =======================q-point: ( 0.40 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 7.233 -13.595 0.279) 15.402 0.981 ( 7.233 13.595 0.279) 15.402 1.153 ( -6.162 -12.342 -1.827) 13.915 1.153 ( -6.162 12.342 -1.827) 13.915 1.465 ( 2.764 -4.302 -1.613) 5.362 1.465 ( 2.764 4.302 -1.613) 5.362 1.545 ( -3.816 -2.023 -0.282) 4.329 1.545 ( -3.816 2.023 -0.282) 4.329 1.650 ( 2.439 -6.951 -3.100) 7.992 1.650 ( 2.439 6.951 -3.100) 7.992 1.780 ( -7.742 -4.286 -1.589) 8.990 1.780 ( -7.742 4.286 -1.589) 8.990 1.862 ( 2.445 -1.717 1.935) 3.559 1.862 ( 2.445 1.717 1.935) 3.559 1.956 ( -5.223 -2.184 -0.161) 5.664 1.956 ( -5.223 2.184 -0.161) 5.664 2.333 ( 3.840 -2.134 -1.494) 4.640 2.333 ( 3.840 2.134 -1.494) 4.640 2.404 ( -0.785 -3.974 -2.888) 4.975 2.404 ( -0.785 3.974 -2.888) 4.975 2.524 ( -0.113 -8.957 0.832) 8.996 2.524 ( -0.113 8.957 0.832) 8.996 2.568 ( -1.864 -6.481 -1.103) 6.833 2.568 ( -1.864 6.481 -1.103) 6.833 2.945 ( -1.586 -1.737 0.366) 2.380 2.945 ( -1.586 1.737 0.366) 2.380 2.972 ( -2.473 -3.195 -0.016) 4.040 2.972 ( -2.473 3.195 -0.016) 4.040 3.237 ( 1.361 -8.184 -0.255) 8.300 3.237 ( 1.361 8.184 -0.255) 8.300 3.280 ( -1.679 -5.670 -0.040) 5.914 3.280 ( -1.679 5.670 -0.040) 5.914 3.824 ( 0.834 -1.267 -0.843) 1.736 3.824 ( 0.834 1.267 -0.843) 1.736 3.848 ( -1.306 -1.535 -0.102) 2.018 3.848 ( -1.306 1.535 -0.102) 2.018 4.115 ( 3.281 -0.209 -0.189) 3.293 4.115 ( 3.281 0.209 -0.189) 3.293 4.144 ( 0.898 -1.040 0.655) 1.522 4.144 ( 0.898 1.040 0.655) 1.522 4.268 ( 2.425 -1.540 -0.170) 2.877 4.268 ( 2.425 1.540 -0.170) 2.877 4.303 ( -0.712 -2.700 1.208) 3.043 4.303 ( -0.712 2.700 1.208) 3.043 4.689 ( 1.144 -0.342 -0.065) 1.196 4.689 ( 1.144 0.342 -0.065) 1.196 4.771 ( -5.776 -3.343 -1.584) 6.859 4.771 ( -5.776 3.343 -1.584) 6.859 5.258 ( 3.492 -1.499 -0.152) 3.804 5.258 ( 3.492 1.499 -0.152) 3.804 5.312 ( -0.888 -3.615 1.704) 4.094 5.312 ( -0.888 3.615 1.704) 4.094 5.444 ( 0.661 -7.874 0.766) 7.939 5.444 ( 0.661 7.874 0.766) 7.939 5.518 ( -5.247 -5.933 -0.558) 7.940 5.518 ( -5.247 5.933 -0.558) 7.940 5.861 ( 1.047 -2.571 -1.612) 3.210 5.861 ( 1.047 2.571 -1.612) 3.210 5.881 ( -0.635 -2.478 -1.535) 2.983 5.881 ( -0.635 2.478 -1.535) 2.983 6.196 ( 1.367 -4.400 -0.930) 4.700 6.196 ( 1.367 4.400 -0.930) 4.700 6.221 ( -0.699 -3.249 -0.657) 3.388 6.221 ( -0.699 3.249 -0.657) 3.388 6.372 ( 1.422 -5.211 2.313) 5.876 6.372 ( 1.422 5.211 2.313) 5.876 6.419 ( -2.692 -3.072 0.928) 4.189 6.419 ( -2.692 3.072 0.928) 4.189 6.770 ( 1.799 -4.349 -0.861) 4.785 6.770 ( 1.799 4.349 -0.861) 4.785 6.804 ( -1.252 -3.140 -1.275) 3.613 6.804 ( -1.252 3.140 -1.275) 3.613 8.228 ( 2.288 -5.801 -0.342) 6.245 8.228 ( 2.288 5.801 -0.342) 6.245 8.292 ( -3.389 -9.474 -1.414) 10.161 8.292 ( -3.389 9.474 -1.414) 10.161 8.950 ( 0.554 -6.443 -0.335) 6.475 8.950 ( 0.554 6.443 -0.335) 6.475 8.966 ( -0.825 -9.340 -0.109) 9.377 8.966 ( -0.825 9.340 -0.109) 9.377 9.431 ( 2.105 -8.666 1.658) 9.070 9.431 ( 2.105 8.666 1.658) 9.070 9.444 ( 0.907 -9.226 1.416) 9.378 9.444 ( 0.907 9.226 1.416) 9.378 10.347 ( 1.240 -1.256 -0.580) 1.858 10.347 ( 1.240 1.256 -0.580) 1.858 10.375 ( -1.278 -0.743 -1.138) 1.866 10.375 ( -1.278 0.743 -1.138) 1.866 11.901 ( 1.675 -2.513 0.065) 3.021 11.901 ( 1.675 2.513 0.065) 3.021 11.952 ( -2.556 -3.080 0.221) 4.008 11.952 ( -2.556 3.080 0.221) 4.008 12.723 ( 3.163 -4.161 0.937) 5.311 12.723 ( 3.163 4.161 0.937) 5.311 12.813 ( -4.524 -2.104 1.788) 5.300 12.813 ( -4.524 2.104 1.788) 5.300 13.184 ( 3.098 -6.982 3.091) 8.240 13.184 ( 3.098 6.982 3.091) 8.240 13.284 ( -5.836 -5.006 1.748) 7.886 13.284 ( -5.836 5.006 1.748) 7.886 13.490 ( 1.192 -3.543 -2.297) 4.387 13.490 ( 1.192 3.543 -2.297) 4.387 13.514 ( -1.266 -1.700 -1.476) 2.583 13.514 ( -1.266 1.700 -1.476) 2.583 13.895 ( 2.280 -5.092 2.958) 6.314 13.895 ( 2.280 5.092 2.958) 6.314 13.973 ( -4.739 -1.976 4.398) 6.760 13.973 ( -4.739 1.976 4.398) 6.760 14.300 ( 6.746 -9.223 -3.309) 11.897 14.300 ( 6.746 9.223 -3.309) 11.897 14.440 ( -6.020 -14.606 -3.395) 16.159 14.440 ( -6.020 14.606 -3.395) 16.159 15.445 ( 5.916 -5.628 -1.541) 8.309 15.445 ( 5.916 5.628 -1.541) 8.309 15.516 ( -0.279 -5.266 1.120) 5.391 15.516 ( -0.279 5.266 1.120) 5.391 16.575 ( 0.766 -0.849 0.263) 1.174 16.575 ( 0.766 0.849 0.263) 1.174 16.587 ( -0.131 -1.201 0.700) 1.396 16.587 ( -0.131 1.201 0.700) 1.396 18.585 ( 3.723 -3.352 2.229) 5.483 18.585 ( 3.723 3.352 2.229) 5.483 18.643 ( -1.351 -5.435 1.819) 5.888 18.643 ( -1.351 5.435 1.819) 5.888 19.188 ( 8.298 -8.830 -3.536) 12.622 19.188 ( 8.298 8.830 -3.536) 12.622 19.277 ( 1.762 -13.078 -1.345) 13.265 19.277 ( 1.762 13.078 -1.345) 13.265 19.661 ( 0.753 -12.064 -4.462) 12.885 19.661 ( 0.753 12.064 -4.462) 12.885 19.836 ( -13.511 -8.950 0.127) 16.207 19.836 ( -13.511 8.950 0.127) 16.207======================= Grid point 70 (25/36) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.416 ( 0.000 0.000 11.160) 11.160 0.648 ( 0.000 0.000 -10.760) 10.760 0.711 ( 0.000 0.000 13.594) 13.594 0.900 ( 0.000 0.000 17.040) 17.040 0.957 ( 0.000 0.000 -7.363) 7.363 1.250 ( 0.000 0.000 -12.813) 12.813 1.518 ( 0.000 0.000 2.568) 2.568 1.535 ( 0.000 0.000 0.317) 0.317 1.545 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 -7.323) 7.323 1.696 ( 0.000 0.000 5.592) 5.592 1.816 ( 0.000 0.000 -5.599) 5.599 2.089 ( 0.000 0.000 2.724) 2.724 2.099 ( 0.000 0.000 1.078) 1.078 2.137 ( 0.000 0.000 1.853) 1.853 2.140 ( 0.000 0.000 1.989) 1.989 2.180 ( 0.000 0.000 -1.827) 1.827 2.235 ( 0.000 0.000 -6.244) 6.244 2.281 ( 0.000 0.000 2.841) 2.841 2.334 ( 0.000 0.000 -2.059) 2.059 2.455 ( 0.000 0.000 -0.489) 0.489 2.468 ( 0.000 0.000 -1.341) 1.341 2.701 ( 0.000 0.000 1.663) 1.663 2.732 ( 0.000 0.000 -1.220) 1.220 2.745 ( 0.000 0.000 1.163) 1.163 2.779 ( 0.000 0.000 -2.103) 2.103 2.965 ( 0.000 0.000 1.488) 1.488 2.991 ( 0.000 0.000 0.424) 0.424 3.072 ( 0.000 0.000 2.158) 2.158 3.119 ( 0.000 0.000 -0.664) 0.664 3.201 ( 0.000 0.000 -1.348) 1.348 3.215 ( 0.000 0.000 -2.556) 2.556 3.593 ( 0.000 0.000 3.635) 3.635 3.667 ( 0.000 0.000 -3.260) 3.260 3.669 ( 0.000 0.000 -0.101) 0.101 3.670 ( 0.000 0.000 0.171) 0.171 3.683 ( 0.000 0.000 2.323) 2.323 3.729 ( 0.000 0.000 -1.912) 1.912 3.832 ( 0.000 0.000 2.813) 2.813 3.902 ( 0.000 0.000 -3.454) 3.454 4.294 ( 0.000 0.000 4.400) 4.400 4.387 ( 0.000 0.000 -4.380) 4.380 4.401 ( 0.000 0.000 2.098) 2.098 4.451 ( 0.000 0.000 -2.382) 2.382 4.569 ( 0.000 0.000 0.770) 0.770 4.590 ( 0.000 0.000 -1.044) 1.044 4.906 ( 0.000 0.000 0.892) 0.892 4.912 ( 0.000 0.000 0.354) 0.354 4.981 ( 0.000 0.000 1.680) 1.680 5.023 ( 0.000 0.000 -2.307) 2.307 5.162 ( 0.000 0.000 1.219) 1.219 5.189 ( 0.000 0.000 -1.281) 1.281 5.287 ( 0.000 0.000 2.513) 2.513 5.309 ( 0.000 0.000 0.188) 0.188 5.313 ( 0.000 0.000 -0.190) 0.190 5.336 ( 0.000 0.000 -2.091) 2.091 5.507 ( 0.000 0.000 7.155) 7.155 5.670 ( 0.000 0.000 -7.536) 7.536 5.928 ( 0.000 0.000 -0.479) 0.479 5.930 ( 0.000 0.000 -0.245) 0.245 6.110 ( 0.000 0.000 0.786) 0.786 6.157 ( 0.000 0.000 -3.891) 3.891 6.294 ( 0.000 0.000 2.456) 2.456 6.350 ( 0.000 0.000 -2.743) 2.743 6.465 ( 0.000 0.000 3.966) 3.966 6.485 ( 0.000 0.000 2.387) 2.387 6.530 ( 0.000 0.000 -2.391) 2.391 6.551 ( 0.000 0.000 -3.313) 3.313 6.740 ( 0.000 0.000 1.421) 1.421 6.770 ( 0.000 0.000 -1.364) 1.364 7.110 ( 0.000 0.000 2.992) 2.992 7.175 ( 0.000 0.000 -2.966) 2.966 8.006 ( 0.000 0.000 1.521) 1.521 8.039 ( 0.000 0.000 -1.582) 1.582 8.121 ( 0.000 0.000 7.153) 7.153 8.256 ( 0.000 0.000 -5.591) 5.591 8.366 ( 0.000 0.000 4.934) 4.934 8.469 ( 0.000 0.000 -4.622) 4.622 8.966 ( 0.000 0.000 1.065) 1.065 8.988 ( 0.000 0.000 -1.133) 1.133 9.178 ( 0.000 0.000 1.551) 1.551 9.193 ( 0.000 0.000 -0.041) 0.041 9.690 ( 0.000 0.000 3.917) 3.917 9.766 ( 0.000 0.000 -3.173) 3.173 10.427 ( 0.000 0.000 0.435) 0.435 10.443 ( 0.000 0.000 -1.012) 1.012 10.648 ( 0.000 0.000 6.047) 6.047 10.770 ( 0.000 0.000 -5.374) 5.374 11.869 ( 0.000 0.000 2.058) 2.058 11.918 ( 0.000 0.000 -2.511) 2.511 12.174 ( 0.000 0.000 1.393) 1.393 12.203 ( 0.000 0.000 -1.398) 1.398 12.208 ( 0.000 0.000 2.531) 2.531 12.264 ( 0.000 0.000 -2.653) 2.653 12.617 ( 0.000 0.000 0.632) 0.632 12.618 ( 0.000 0.000 0.427) 0.427 12.954 ( 0.000 0.000 0.977) 0.977 12.959 ( 0.000 0.000 0.067) 0.067 13.138 ( 0.000 0.000 0.285) 0.285 13.168 ( 0.000 0.000 -2.206) 2.206 13.248 ( 0.000 0.000 0.713) 0.713 13.257 ( 0.000 0.000 -0.150) 0.150 13.669 ( 0.000 0.000 4.242) 4.242 13.710 ( 0.000 0.000 3.379) 3.379 13.754 ( 0.000 0.000 -3.638) 3.638 13.786 ( 0.000 0.000 -3.634) 3.634 13.942 ( 0.000 0.000 1.156) 1.156 13.960 ( 0.000 0.000 -0.475) 0.475 14.143 ( 0.000 0.000 2.571) 2.571 14.194 ( 0.000 0.000 -2.140) 2.140 14.839 ( 0.000 0.000 0.245) 0.245 14.852 ( 0.000 0.000 -0.902) 0.902 15.184 ( 0.000 0.000 6.946) 6.946 15.288 ( 0.000 0.000 -2.930) 2.930 15.666 ( 0.000 0.000 4.523) 4.523 15.808 ( 0.000 0.000 -8.704) 8.704 16.376 ( 0.000 0.000 0.754) 0.754 16.386 ( 0.000 0.000 -0.190) 0.190 16.716 ( 0.000 0.000 0.832) 0.832 16.734 ( 0.000 0.000 -0.774) 0.774 18.432 ( 0.000 0.000 0.945) 0.945 18.462 ( 0.000 0.000 -1.911) 1.911 18.504 ( 0.000 0.000 0.572) 0.572 18.515 ( 0.000 0.000 -0.499) 0.499 18.618 ( 0.000 0.000 1.498) 1.498 18.653 ( 0.000 0.000 -1.870) 1.870 18.767 ( 0.000 0.000 13.380) 13.380 19.040 ( 0.000 0.000 -12.088) 12.088 19.633 ( 0.000 0.000 10.013) 10.013 19.868 ( 0.000 0.000 -12.206) 12.206 20.629 ( 0.000 0.000 4.902) 4.902 20.719 ( 0.000 0.000 -3.775) 3.775======================= Grid point 71 (26/36) =======================q-point: ( 0.20 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( 13.680 0.000 6.640) 15.206 0.756 ( 8.994 0.000 -8.221) 12.185 0.855 ( 6.736 0.000 9.442) 11.599 0.874 ( -2.223 0.000 13.658) 13.837 1.073 ( 10.684 0.000 -4.293) 11.514 1.213 ( -0.488 0.000 -9.043) 9.056 1.455 ( -5.945 0.000 2.012) 6.276 1.469 ( -6.930 0.000 0.551) 6.952 1.552 ( 0.767 0.000 0.144) 0.781 1.650 ( 1.528 0.000 -8.350) 8.489 1.701 ( 0.622 0.000 3.951) 3.999 1.780 ( -2.550 0.000 -3.184) 4.080 1.979 ( -2.135 0.000 2.609) 3.371 2.057 ( -2.768 0.000 -4.177) 5.011 2.065 ( -3.329 0.000 -0.140) 3.332 2.075 ( -4.423 0.000 -0.919) 4.518 2.307 ( 5.625 0.000 -0.023) 5.626 2.312 ( 7.423 0.000 -0.363) 7.432 2.398 ( 2.979 0.000 2.678) 4.005 2.447 ( 1.836 0.000 -1.806) 2.575 2.462 ( 3.263 0.000 0.333) 3.280 2.486 ( 4.063 0.000 -2.044) 4.548 2.670 ( -6.339 0.000 2.308) 6.746 2.739 ( -6.662 0.000 -3.737) 7.639 2.743 ( 5.499 0.000 2.202) 5.924 2.787 ( 5.092 0.000 -1.822) 5.409 2.849 ( -1.768 0.000 2.769) 3.285 2.945 ( -2.087 0.000 -5.285) 5.682 3.045 ( -1.281 0.000 1.499) 1.972 3.094 ( -2.444 0.000 -3.474) 4.248 3.303 ( 5.350 0.000 1.639) 5.595 3.351 ( 7.051 0.000 -3.111) 7.707 3.455 ( -9.201 0.000 1.913) 9.398 3.484 ( -9.879 0.000 -0.729) 9.906 3.548 ( -8.688 0.000 1.651) 8.843 3.582 ( -7.371 0.000 -1.540) 7.530 3.805 ( 4.630 0.000 0.414) 4.648 3.819 ( 4.519 0.000 -0.828) 4.594 3.849 ( 2.043 0.000 1.854) 2.758 3.898 ( 0.632 0.000 -2.640) 2.714 4.338 ( 2.474 0.000 3.798) 4.533 4.399 ( -0.107 0.000 1.765) 1.769 4.417 ( 0.962 0.000 -3.661) 3.786 4.443 ( -0.773 0.000 -2.326) 2.451 4.576 ( 0.585 0.000 0.826) 1.012 4.592 ( 0.166 0.000 -0.730) 0.748 4.883 ( -0.259 0.000 2.265) 2.280 4.925 ( 1.014 0.000 -1.433) 1.755 5.018 ( 1.899 0.000 1.314) 2.310 5.038 ( 0.768 0.000 -0.613) 0.983 5.129 ( -1.810 0.000 1.001) 2.068 5.153 ( -2.383 0.000 -1.368) 2.748 5.309 ( 0.843 0.000 1.894) 2.073 5.340 ( 3.031 0.000 1.706) 3.478 5.347 ( 0.870 0.000 -1.731) 1.937 5.374 ( 3.020 0.000 -1.538) 3.390 5.577 ( 5.394 0.000 1.183) 5.522 5.672 ( 0.219 0.000 -6.163) 6.167 5.873 ( -4.684 0.000 0.426) 4.703 5.890 ( -3.846 0.000 -1.392) 4.090 6.029 ( -5.176 0.000 1.011) 5.274 6.075 ( -5.870 0.000 -3.382) 6.775 6.207 ( -5.995 0.000 1.809) 6.262 6.246 ( -7.063 0.000 -1.802) 7.289 6.464 ( 0.112 0.000 4.083) 4.084 6.488 ( -0.131 0.000 2.243) 2.247 6.572 ( 2.814 0.000 -1.906) 3.399 6.593 ( 3.157 0.000 -4.022) 5.113 6.822 ( 5.479 0.000 1.243) 5.619 6.849 ( 5.591 0.000 -1.269) 5.734 7.091 ( -1.606 0.000 2.880) 3.297 7.152 ( -1.921 0.000 -2.791) 3.388 8.056 ( 4.311 0.000 0.705) 4.368 8.073 ( 2.991 0.000 -0.877) 3.117 8.138 ( 1.116 0.000 5.741) 5.848 8.233 ( -1.653 0.000 -2.925) 3.360 8.340 ( -2.356 0.000 4.450) 5.035 8.433 ( -3.214 0.000 -4.240) 5.321 9.034 ( 4.713 0.000 0.723) 4.768 9.065 ( 5.802 0.000 -2.496) 6.316 9.245 ( 5.145 0.000 1.551) 5.373 9.261 ( 4.956 0.000 -0.008) 4.956 9.695 ( 0.529 0.000 3.263) 3.306 9.760 ( -0.579 0.000 -2.719) 2.780 10.438 ( 1.129 0.000 1.162) 1.620 10.467 ( 2.199 0.000 -1.514) 2.670 10.611 ( -2.780 0.000 6.041) 6.650 10.732 ( -3.239 0.000 -5.251) 6.170 11.872 ( 0.249 0.000 1.580) 1.600 11.907 ( -0.850 0.000 -1.597) 1.809 12.145 ( -1.935 0.000 0.164) 1.942 12.152 ( -2.014 0.000 -0.455) 2.065 12.272 ( 3.201 0.000 1.357) 3.477 12.304 ( 2.611 0.000 -1.457) 2.990 12.631 ( 1.506 0.000 1.290) 1.983 12.648 ( 1.989 0.000 0.023) 1.989 12.882 ( -3.885 0.000 1.477) 4.156 12.926 ( -3.316 0.000 -2.246) 4.005 13.157 ( 2.081 0.000 3.307) 3.907 13.221 ( 2.881 0.000 -2.176) 3.610 13.249 ( 0.043 0.000 0.647) 0.649 13.256 ( -0.159 0.000 -0.001) 0.159 13.625 ( -5.575 0.000 2.368) 6.057 13.666 ( -0.086 0.000 3.395) 3.396 13.670 ( -6.161 0.000 -1.723) 6.397 13.736 ( -1.450 0.000 -3.085) 3.409 14.026 ( 5.385 0.000 3.078) 6.202 14.076 ( 6.133 0.000 -1.151) 6.240 14.150 ( 0.582 0.000 2.197) 2.273 14.191 ( -0.253 0.000 -1.644) 1.663 14.739 ( -8.806 0.000 9.084) 12.652 14.842 ( -1.794 0.000 -2.282) 2.903 14.948 ( -3.161 0.000 5.831) 6.633 15.139 ( -10.047 0.000 -10.369) 14.438 15.975 ( 13.627 0.000 1.555) 13.716 16.069 ( 14.605 0.000 -7.810) 16.562 16.413 ( 3.229 0.000 0.501) 3.267 16.418 ( 2.841 0.000 -0.009) 2.841 16.686 ( -2.703 0.000 0.813) 2.823 16.702 ( -2.787 0.000 -0.722) 2.879 18.435 ( 0.290 0.000 0.816) 0.866 18.462 ( -0.040 0.000 -1.776) 1.776 18.502 ( 3.841 0.000 7.233) 8.190 18.618 ( 0.058 0.000 1.191) 1.193 18.641 ( 5.236 0.000 -3.637) 6.375 18.647 ( -0.503 0.000 -1.585) 1.663 18.862 ( 7.044 0.000 4.801) 8.524 19.066 ( 1.344 0.000 -10.823) 10.906 19.696 ( 6.516 0.000 8.626) 10.811 19.904 ( 3.690 0.000 -10.854) 11.464 20.524 ( -9.036 0.000 4.194) 9.962 20.594 ( -10.024 0.000 -2.545) 10.342======================= Grid point 72 (27/36) =======================q-point: ( 0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.804 ( -1.092 0.000 7.711) 7.788 0.856 ( -4.894 0.000 1.663) 5.169 0.928 ( 15.260 0.000 2.540) 15.470 0.996 ( 11.797 0.000 -3.882) 12.419 1.250 ( -12.247 0.000 1.041) 12.291 1.265 ( -10.792 0.000 -0.263) 10.795 1.297 ( 8.099 0.000 2.871) 8.593 1.353 ( 6.950 0.000 2.854) 7.513 1.540 ( 0.264 0.000 -5.093) 5.100 1.643 ( -3.597 0.000 -10.358) 10.965 1.718 ( 0.802 0.000 2.491) 2.617 1.738 ( -1.150 0.000 0.779) 1.389 2.001 ( 4.460 0.000 2.947) 5.346 2.015 ( -1.083 0.000 -1.369) 1.745 2.018 ( -1.188 0.000 -1.674) 2.053 2.067 ( 2.072 0.000 -2.913) 3.575 2.353 ( -1.818 0.000 1.593) 2.417 2.393 ( -2.394 0.000 -2.078) 3.170 2.417 ( 0.439 0.000 0.615) 0.756 2.431 ( -0.869 0.000 -0.880) 1.237 2.535 ( 1.445 0.000 0.663) 1.590 2.546 ( 0.647 0.000 -0.216) 0.682 2.569 ( -0.517 0.000 -0.792) 0.945 2.589 ( -3.090 0.000 -2.443) 3.940 2.850 ( 0.372 0.000 -0.635) 0.736 2.886 ( -3.037 0.000 -3.466) 4.609 2.952 ( 11.613 0.000 0.768) 11.639 2.971 ( 10.785 0.000 -0.952) 10.827 3.078 ( 2.591 0.000 -0.495) 2.638 3.099 ( 4.711 0.000 -2.073) 5.147 3.229 ( -10.910 0.000 1.131) 10.968 3.246 ( -11.362 0.000 -0.429) 11.370 3.294 ( -6.566 0.000 2.340) 6.971 3.347 ( -6.737 0.000 -1.902) 7.000 3.454 ( 0.610 0.000 -0.213) 0.646 3.477 ( 0.324 0.000 -2.350) 2.372 3.879 ( 1.928 0.000 0.365) 1.962 3.885 ( 1.390 0.000 -0.254) 1.413 3.917 ( 2.943 0.000 0.378) 2.968 3.931 ( 1.454 0.000 -0.829) 1.674 4.365 ( 0.638 0.000 1.460) 1.593 4.400 ( -2.097 0.000 -1.713) 2.708 4.402 ( 0.442 0.000 0.507) 0.673 4.420 ( -1.112 0.000 -1.227) 1.655 4.589 ( 0.449 0.000 0.400) 0.601 4.594 ( -0.058 0.000 -0.145) 0.156 4.915 ( 2.855 0.000 3.136) 4.241 4.957 ( 0.736 0.000 -0.300) 0.795 5.024 ( -0.536 0.000 1.341) 1.444 5.042 ( -0.763 0.000 -0.268) 0.809 5.105 ( -0.298 0.000 0.417) 0.512 5.114 ( -1.089 0.000 -0.393) 1.158 5.340 ( 2.080 0.000 0.462) 2.130 5.363 ( 0.356 0.000 -1.453) 1.496 5.400 ( 1.989 0.000 0.564) 2.068 5.416 ( 0.605 0.000 -0.964) 1.138 5.677 ( 1.995 0.000 -3.263) 3.825 5.681 ( 1.558 0.000 -3.149) 3.514 5.747 ( -4.716 0.000 0.151) 4.718 5.778 ( -5.084 0.000 -3.243) 6.030 5.958 ( -1.102 0.000 0.282) 1.138 5.974 ( -2.610 0.000 -1.216) 2.880 6.103 ( -2.509 0.000 0.773) 2.626 6.116 ( -3.732 0.000 -0.515) 3.767 6.470 ( 0.358 0.000 3.032) 3.053 6.480 ( -0.499 0.000 2.255) 2.310 6.629 ( 1.903 0.000 -1.914) 2.699 6.642 ( 0.839 0.000 -3.230) 3.337 6.929 ( 3.793 0.000 1.460) 4.064 6.955 ( 2.708 0.000 -0.896) 2.852 7.055 ( -0.666 0.000 1.693) 1.820 7.096 ( -2.980 0.000 -1.981) 3.578 8.155 ( 4.200 0.000 0.880) 4.291 8.163 ( 1.230 0.000 3.219) 3.446 8.175 ( 5.122 0.000 -0.957) 5.211 8.195 ( -1.674 0.000 0.279) 1.697 8.273 ( -2.815 0.000 2.698) 3.899 8.334 ( -5.434 0.000 -2.920) 6.169 9.138 ( 3.633 0.000 0.564) 3.676 9.159 ( 1.915 0.000 -1.551) 2.464 9.344 ( 2.906 0.000 1.265) 3.169 9.352 ( 2.270 0.000 0.565) 2.339 9.714 ( 1.133 0.000 1.341) 1.755 9.741 ( -1.166 0.000 -1.050) 1.569 10.478 ( 2.388 0.000 2.644) 3.563 10.526 ( 0.654 0.000 0.502) 0.824 10.557 ( 0.357 0.000 1.194) 1.246 10.641 ( -4.600 0.000 -4.326) 6.314 11.879 ( 0.370 0.000 0.776) 0.860 11.889 ( -0.639 0.000 -0.148) 0.656 12.112 ( -0.698 0.000 -0.654) 0.956 12.117 ( -1.046 0.000 -1.159) 1.561 12.334 ( 2.032 0.000 1.188) 2.354 12.348 ( 0.914 0.000 -0.027) 0.915 12.669 ( 1.536 0.000 1.682) 2.278 12.683 ( 0.599 0.000 0.923) 1.101 12.827 ( -0.639 0.000 -0.759) 0.992 12.854 ( -2.694 0.000 -2.757) 3.855 13.214 ( 2.759 0.000 4.720) 5.467 13.248 ( -0.097 0.000 0.399) 0.411 13.250 ( -0.302 0.000 0.216) 0.371 13.255 ( -0.306 0.000 1.685) 1.713 13.537 ( -1.450 0.000 0.191) 1.462 13.564 ( -3.402 0.000 -1.854) 3.874 13.673 ( 0.825 0.000 1.227) 1.478 13.700 ( -1.551 0.000 -1.284) 2.014 14.126 ( 3.269 0.000 4.311) 5.411 14.156 ( 0.860 0.000 2.435) 2.583 14.166 ( 0.778 0.000 1.089) 1.339 14.182 ( -0.617 0.000 -0.392) 0.731 14.649 ( 1.085 0.000 1.127) 1.564 14.741 ( -6.074 0.000 -6.256) 8.719 14.957 ( 2.012 0.000 2.436) 3.160 15.007 ( -2.811 0.000 -2.521) 3.776 16.185 ( 5.899 0.000 0.688) 5.939 16.239 ( 1.492 0.000 -4.523) 4.762 16.501 ( 4.435 0.000 0.389) 4.452 16.506 ( 4.852 0.000 -0.030) 4.852 16.605 ( -4.314 0.000 0.671) 4.366 16.618 ( -4.621 0.000 -0.507) 4.649 18.445 ( 0.583 0.000 0.153) 0.603 18.457 ( -0.442 0.000 -0.997) 1.090 18.622 ( 0.375 0.000 0.279) 0.467 18.629 ( 6.087 0.000 7.424) 9.600 18.634 ( -0.637 0.000 -0.812) 1.032 18.705 ( -0.031 0.000 2.986) 2.986 18.985 ( 3.808 0.000 -4.190) 5.662 19.053 ( -2.457 0.000 -7.533) 7.923 19.920 ( 12.406 0.000 3.831) 12.984 20.034 ( 6.532 0.000 -6.207) 9.011 20.282 ( -10.474 0.000 2.377) 10.740 20.343 ( -11.482 0.000 -3.259) 11.935======================= Grid point 75 (28/36) =======================q-point: ( 0.00 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( 0.000 4.315 7.387) 8.555 0.817 ( 0.000 12.796 9.446) 15.905 0.876 ( 0.000 0.372 -2.907) 2.930 0.939 ( 0.000 15.614 -3.881) 16.089 0.977 ( 0.000 9.857 3.487) 10.456 1.207 ( 0.000 -3.014 -11.100) 11.502 1.499 ( 0.000 2.770 1.160) 3.003 1.582 ( 0.000 5.744 -6.019) 8.320 1.694 ( 0.000 7.799 0.040) 7.799 1.701 ( 0.000 6.919 -1.412) 7.062 1.804 ( 0.000 3.939 2.983) 4.941 1.881 ( 0.000 2.133 -3.977) 4.513 1.945 ( 0.000 -2.427 -0.828) 2.564 1.955 ( 0.000 -2.855 -1.351) 3.159 2.068 ( 0.000 -2.589 3.125) 4.058 2.122 ( 0.000 -9.210 0.229) 9.213 2.207 ( 0.000 3.664 -0.646) 3.721 2.210 ( 0.000 0.408 -4.041) 4.061 2.330 ( 0.000 -5.206 -0.276) 5.213 2.337 ( 0.000 -1.798 -0.763) 1.953 2.445 ( 0.000 2.126 0.108) 2.129 2.448 ( 0.000 1.546 -0.404) 1.598 2.666 ( 0.000 -1.229 1.119) 1.663 2.672 ( 0.000 0.967 0.925) 1.338 2.917 ( 0.000 -0.163 2.990) 2.995 2.967 ( 0.000 0.368 -0.536) 0.650 3.025 ( 0.000 4.919 -0.136) 4.920 3.053 ( 0.000 0.814 -1.642) 1.833 3.207 ( 0.000 9.523 -1.193) 9.598 3.213 ( 0.000 13.339 -2.065) 13.498 3.383 ( 0.000 6.058 2.139) 6.425 3.441 ( 0.000 7.868 -3.527) 8.623 3.490 ( 0.000 0.680 0.640) 0.934 3.509 ( 0.000 -0.038 -1.181) 1.182 3.680 ( 0.000 7.144 2.970) 7.737 3.726 ( 0.000 3.426 -0.990) 3.566 3.826 ( 0.000 3.973 1.135) 4.132 3.858 ( 0.000 2.601 -1.431) 2.969 3.917 ( 0.000 5.933 -0.496) 5.953 3.921 ( 0.000 4.477 -0.984) 4.584 4.163 ( 0.000 -6.346 3.919) 7.459 4.242 ( 0.000 -8.116 -3.402) 8.800 4.581 ( 0.000 5.961 1.226) 6.085 4.617 ( 0.000 6.295 -2.195) 6.667 4.794 ( 0.000 -4.508 1.019) 4.622 4.817 ( 0.000 -6.496 -0.855) 6.552 4.900 ( 0.000 -1.056 0.099) 1.060 4.901 ( 0.000 2.917 -0.032) 2.917 4.992 ( 0.000 12.480 3.267) 12.900 5.055 ( 0.000 0.624 -1.738) 1.847 5.161 ( 0.000 7.118 0.483) 7.135 5.247 ( 0.000 25.908 -9.802) 27.700 5.331 ( 0.000 6.523 3.804) 7.551 5.419 ( 0.000 14.252 -5.897) 15.424 5.439 ( 0.000 6.055 2.623) 6.599 5.496 ( 0.000 7.532 -2.709) 8.005 5.567 ( 0.000 5.086 4.968) 7.109 5.699 ( 0.000 1.828 -6.988) 7.223 5.812 ( 0.000 -6.849 0.788) 6.894 5.823 ( 0.000 -6.268 -0.091) 6.268 6.063 ( 0.000 -3.212 0.943) 3.348 6.114 ( 0.000 -2.953 -3.903) 4.894 6.343 ( 0.000 -8.447 3.704) 9.223 6.418 ( 0.000 -8.397 -3.412) 9.064 6.441 ( 0.000 -2.744 3.569) 4.502 6.484 ( 0.000 11.094 1.343) 11.175 6.512 ( 0.000 -0.465 -2.888) 2.925 6.523 ( 0.000 8.159 -2.445) 8.518 6.757 ( 0.000 0.528 0.420) 0.675 6.765 ( 0.000 -0.942 -0.235) 0.971 7.097 ( 0.000 -3.621 2.645) 4.484 7.151 ( 0.000 -5.261 -2.371) 5.771 7.753 ( 0.000 -8.544 0.721) 8.575 7.754 ( 0.000 -7.711 0.425) 7.722 8.186 ( 0.000 2.482 6.674) 7.121 8.335 ( 0.000 1.842 -7.346) 7.573 8.664 ( 0.000 15.081 -1.231) 15.131 8.691 ( 0.000 11.928 -2.991) 12.297 8.999 ( 0.000 2.572 1.123) 2.806 9.021 ( 0.000 2.116 -1.021) 2.350 9.196 ( 0.000 1.938 1.696) 2.576 9.215 ( 0.000 2.147 -0.047) 2.148 9.723 ( 0.000 2.324 3.435) 4.147 9.790 ( 0.000 1.405 -2.712) 3.055 10.401 ( 0.000 -2.238 0.722) 2.352 10.419 ( 0.000 -1.846 -1.055) 2.126 10.490 ( 0.000 -10.915 4.795) 11.922 10.590 ( 0.000 -13.842 -4.477) 14.548 11.910 ( 0.000 0.375 1.761) 1.801 11.948 ( 0.000 -3.935 -1.531) 4.222 12.113 ( 0.000 -3.014 1.056) 3.194 12.166 ( 0.000 -0.138 -4.510) 4.512 12.239 ( 0.000 6.104 1.870) 6.384 12.285 ( 0.000 8.000 -2.996) 8.543 12.779 ( 0.000 10.787 2.469) 11.066 12.801 ( 0.000 10.552 0.642) 10.571 12.975 ( 0.000 1.251 1.762) 2.161 13.005 ( 0.000 2.969 -1.374) 3.271 13.173 ( 0.000 3.050 -0.179) 3.055 13.198 ( 0.000 2.685 -2.488) 3.661 13.369 ( 0.000 10.777 1.749) 10.918 13.403 ( 0.000 10.839 -1.378) 10.926 13.649 ( 0.000 -0.275 3.830) 3.840 13.714 ( 0.000 -3.040 -2.583) 3.989 13.748 ( 0.000 4.197 0.958) 4.305 13.803 ( 0.000 1.366 -3.504) 3.761 13.957 ( 0.000 1.457 1.211) 1.895 13.968 ( 0.000 0.734 0.203) 0.762 14.104 ( 0.000 -3.266 2.264) 3.974 14.156 ( 0.000 -3.314 -2.548) 4.180 14.898 ( 0.000 4.906 0.046) 4.906 14.900 ( 0.000 3.750 -0.055) 3.750 15.126 ( 0.000 -5.592 3.743) 6.729 15.154 ( 0.000 -11.362 1.570) 11.470 15.587 ( 0.000 -6.231 4.494) 7.683 15.713 ( 0.000 -6.842 -7.032) 9.811 16.399 ( 0.000 2.119 0.582) 2.198 16.412 ( 0.000 2.184 -0.420) 2.224 16.706 ( 0.000 -1.280 1.164) 1.730 16.732 ( 0.000 -1.183 -1.126) 1.633 18.387 ( 0.000 0.005 3.200) 3.200 18.438 ( 0.000 0.029 -1.764) 1.765 18.548 ( 0.000 5.121 2.492) 5.695 18.603 ( 0.000 5.974 -2.393) 6.435 18.714 ( 0.000 -0.735 11.216) 11.240 18.795 ( 0.000 10.370 1.317) 10.453 18.926 ( 0.000 17.231 -8.102) 19.041 18.996 ( 0.000 -3.736 -10.567) 11.207 19.591 ( 0.000 -3.775 9.855) 10.553 19.825 ( 0.000 -3.971 -12.204) 12.834 20.542 ( 0.000 -7.367 3.237) 8.047 20.589 ( 0.000 -10.413 -1.039) 10.465======================= Grid point 76 (29/36) =======================q-point: ( 0.20 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( 4.566 4.901 10.435) 12.400 0.816 ( 1.178 1.105 9.186) 9.327 0.953 ( 6.321 9.746 -4.652) 12.513 0.958 ( 0.039 3.610 -5.424) 6.515 1.115 ( 10.584 7.717 0.903) 13.130 1.228 ( 4.573 3.590 -6.900) 9.023 1.504 ( -0.727 3.196 1.063) 3.446 1.580 ( -2.342 2.603 -5.530) 6.545 1.610 ( -3.063 9.302 0.739) 9.821 1.628 ( -5.211 10.368 -0.443) 11.613 1.835 ( 2.397 4.755 1.136) 5.445 1.884 ( 1.106 1.328 -3.366) 3.784 1.949 ( -2.847 0.233 2.533) 3.818 1.994 ( 0.023 -0.177 -1.408) 1.420 2.058 ( -0.702 -2.761 0.833) 2.968 2.102 ( -3.803 -2.777 0.707) 4.762 2.130 ( 0.684 -7.371 -3.698) 8.275 2.171 ( -1.220 -4.138 -4.899) 6.527 2.328 ( 3.096 -4.929 3.680) 6.887 2.403 ( 1.821 -3.959 -3.467) 5.569 2.456 ( -1.440 -3.794 1.163) 4.221 2.485 ( -0.381 -1.888 -1.610) 2.511 2.670 ( 1.541 2.955 2.629) 4.245 2.711 ( 3.707 4.220 -1.109) 5.725 2.915 ( -0.901 -0.128 1.158) 1.473 2.928 ( -3.432 3.017 0.121) 4.571 2.950 ( -4.171 5.166 1.578) 6.825 3.013 ( -3.036 1.663 -3.041) 4.608 3.117 ( -4.717 6.849 0.362) 8.324 3.151 ( -5.332 5.674 -2.940) 8.323 3.377 ( -3.619 -1.049 1.592) 4.090 3.393 ( -4.705 -2.677 -0.010) 5.413 3.427 ( -2.928 13.053 1.386) 13.449 3.479 ( -0.828 11.477 -2.844) 11.853 3.670 ( -1.887 5.911 1.836) 6.471 3.716 ( -2.434 5.363 -2.175) 6.278 3.832 ( 2.767 3.463 1.406) 4.650 3.862 ( 1.975 2.680 -1.390) 3.607 3.926 ( 0.875 4.948 0.257) 5.031 3.939 ( 0.739 4.310 -0.931) 4.471 4.228 ( 4.731 -5.495 3.068) 7.874 4.288 ( 3.165 -6.587 -2.484) 7.719 4.556 ( -2.084 3.262 1.459) 4.137 4.593 ( -2.307 3.931 -1.972) 4.967 4.803 ( 0.831 -0.124 1.773) 1.962 4.835 ( 1.554 -3.528 -0.816) 3.940 4.910 ( 0.757 -0.931 0.753) 1.417 4.927 ( 1.780 1.888 -0.374) 2.622 4.963 ( -2.042 7.013 2.171) 7.620 5.014 ( -3.263 6.555 -1.949) 7.578 5.131 ( -1.736 8.001 -0.029) 8.188 5.172 ( -3.662 17.988 -4.234) 18.839 5.365 ( 2.545 5.640 3.632) 7.175 5.419 ( 0.254 5.712 0.586) 5.748 5.435 ( 0.639 4.810 0.057) 4.853 5.491 ( -0.604 6.069 -2.968) 6.783 5.693 ( 5.621 9.902 -3.818) 12.009 5.715 ( 0.125 2.796 -3.774) 4.699 5.765 ( -3.147 -5.283 0.507) 6.170 5.780 ( -2.380 -5.473 -1.200) 6.088 5.984 ( -5.672 -2.914 1.307) 6.510 6.039 ( -5.589 -1.843 -4.039) 7.138 6.336 ( -0.608 -2.926 2.875) 4.148 6.377 ( -3.213 3.919 -0.624) 5.105 6.464 ( 1.197 -0.225 3.261) 3.481 6.497 ( -1.114 6.815 0.385) 6.916 6.524 ( 2.679 -1.889 -2.847) 4.342 6.541 ( 1.635 -1.499 -2.894) 3.646 6.806 ( 4.003 -1.196 0.576) 4.218 6.819 ( 4.601 -2.387 -0.638) 5.222 7.085 ( -1.388 -2.762 2.431) 3.933 7.134 ( -1.764 -4.467 -2.117) 5.248 7.774 ( 1.914 -8.970 1.228) 9.254 7.789 ( 2.570 -8.539 0.127) 8.918 8.151 ( -2.538 0.117 4.578) 5.236 8.256 ( -5.516 0.621 -5.222) 7.621 8.647 ( -0.581 14.236 1.414) 14.318 8.687 ( -0.752 13.294 -2.510) 13.550 9.057 ( 3.858 1.437 0.755) 4.186 9.087 ( 4.479 0.741 -2.211) 5.050 9.253 ( 4.475 0.940 1.641) 4.858 9.267 ( 3.960 0.817 0.226) 4.049 9.737 ( 1.204 2.657 2.973) 4.165 9.794 ( 0.236 1.941 -2.272) 2.998 10.402 ( 0.240 -3.000 1.335) 3.293 10.429 ( 0.927 -2.895 -1.338) 3.322 10.479 ( -0.777 -9.235 4.058) 10.118 10.572 ( -1.637 -12.434 -4.245) 13.240 11.911 ( 0.048 0.557 1.515) 1.615 11.946 ( -0.315 -2.167 -1.524) 2.667 12.099 ( -1.050 -2.945 0.656) 3.195 12.135 ( -1.964 0.092 -2.980) 3.570 12.261 ( 1.593 4.269 1.374) 4.759 12.295 ( 0.896 6.082 -1.937) 6.446 12.784 ( 0.502 9.033 3.095) 9.561 12.828 ( 1.751 11.323 0.711) 11.480 12.918 ( -3.743 2.083 1.117) 4.427 12.977 ( -2.298 4.385 -2.791) 5.684 13.183 ( 1.606 2.420 2.967) 4.151 13.245 ( 2.585 2.161 -2.338) 4.101 13.369 ( -0.006 10.351 1.399) 10.445 13.395 ( -0.690 10.719 -1.063) 10.794 13.624 ( -1.950 -2.935 2.579) 4.366 13.648 ( -6.122 1.939 0.191) 6.424 13.693 ( -4.965 2.664 -0.688) 5.676 13.706 ( -1.502 -1.816 -2.176) 3.208 14.029 ( 4.633 0.123 3.253) 5.662 14.072 ( 4.331 -0.732 -0.245) 4.399 14.130 ( 2.555 -1.117 0.930) 2.940 14.161 ( 0.267 -2.519 -1.956) 3.201 14.721 ( -10.437 -2.892 11.807) 16.022 14.895 ( -3.327 3.532 -4.391) 6.545 14.977 ( -0.235 3.011 2.529) 3.939 15.086 ( -5.895 -3.619 -7.729) 10.372 15.868 ( 13.244 -9.184 0.820) 16.138 15.920 ( 13.034 -11.224 -3.946) 17.647 16.435 ( 3.048 1.913 0.572) 3.644 16.445 ( 2.705 2.166 -0.365) 3.485 16.678 ( -2.430 -0.917 0.980) 2.776 16.697 ( -2.848 -0.950 -0.746) 3.093 18.430 ( 3.016 0.950 3.038) 4.385 18.478 ( 1.867 0.792 -1.675) 2.631 18.567 ( 2.522 5.999 3.513) 7.395 18.635 ( 2.710 5.363 -2.436) 6.484 18.746 ( 2.193 1.303 8.785) 9.148 18.788 ( -0.589 10.491 1.504) 10.615 18.943 ( 1.795 8.367 -7.274) 11.231 19.038 ( 2.338 -0.534 -11.222) 11.475 19.644 ( 5.472 -4.674 8.649) 11.251 19.852 ( 2.887 -4.759 -10.864) 12.207 20.429 ( -9.582 -8.207 3.535) 13.102 20.481 ( -8.894 -9.204 -1.402) 12.876======================= Grid point 77 (30/36) =======================q-point: ( 0.40 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( -0.179 -0.376 7.569) 7.580 0.830 ( -4.235 -0.194 1.486) 4.493 1.088 ( 11.898 7.117 1.746) 13.974 1.139 ( 8.878 4.982 -2.922) 10.591 1.305 ( 3.228 5.038 1.255) 6.113 1.349 ( -3.081 4.098 0.540) 5.155 1.433 ( -2.277 1.760 -2.449) 3.779 1.465 ( -0.398 1.336 -4.351) 4.569 1.531 ( -3.221 16.333 1.291) 16.697 1.600 ( -1.595 6.924 -6.098) 9.364 1.835 ( -1.095 4.821 3.779) 6.223 1.884 ( -2.533 8.943 0.411) 9.304 1.954 ( 4.386 -0.999 0.258) 4.505 2.007 ( 3.670 -2.916 -2.197) 5.177 2.024 ( -2.312 -1.215 -0.542) 2.667 2.048 ( 0.311 -2.881 -1.651) 3.335 2.148 ( -1.414 -11.167 -0.359) 11.262 2.182 ( -1.739 -10.504 -3.441) 11.189 2.364 ( -0.123 -3.177 0.117) 3.182 2.388 ( -0.491 -3.505 -2.219) 4.178 2.459 ( 2.612 -6.617 1.116) 7.201 2.486 ( 0.977 -5.376 -1.180) 5.590 2.693 ( 0.660 6.163 2.254) 6.595 2.734 ( -1.601 8.467 -1.454) 8.738 2.835 ( -5.496 -5.776 0.290) 7.978 2.851 ( -5.216 -7.444 -0.954) 9.139 2.895 ( -0.212 0.513 -0.205) 0.592 2.918 ( -2.679 1.426 -2.287) 3.800 3.120 ( 4.336 4.307 0.698) 6.151 3.140 ( 5.183 4.510 -1.188) 6.973 3.257 ( -4.651 0.135 2.161) 5.130 3.297 ( -4.930 -1.544 -1.211) 5.306 3.383 ( -1.480 18.860 1.039) 18.946 3.416 ( -3.795 16.375 -1.643) 16.889 3.642 ( -0.433 6.186 -0.132) 6.202 3.655 ( -1.812 6.926 -1.293) 7.275 3.907 ( 2.083 2.815 0.434) 3.529 3.911 ( 1.267 2.412 -0.064) 2.725 3.950 ( 1.491 3.262 0.293) 3.599 3.960 ( 0.988 3.109 -0.497) 3.300 4.326 ( 3.398 -2.936 1.396) 4.703 4.348 ( 1.641 -2.789 -0.520) 3.278 4.504 ( -1.723 -0.307 0.854) 1.948 4.525 ( -3.107 0.152 -0.992) 3.265 4.833 ( 1.886 5.611 2.898) 6.591 4.876 ( 0.602 -5.666 1.522) 5.898 4.894 ( -0.829 15.881 -0.334) 15.906 4.931 ( -0.833 -4.120 -0.009) 4.204 4.951 ( -1.092 4.125 -1.330) 4.469 4.958 ( -0.434 0.311 -1.817) 1.894 5.120 ( 0.898 9.638 0.320) 9.685 5.137 ( -0.300 9.823 -1.202) 9.900 5.401 ( -0.314 1.265 3.147) 3.406 5.406 ( -0.278 2.624 2.940) 3.950 5.478 ( 1.864 7.040 -2.611) 7.737 5.484 ( 0.642 5.435 -3.446) 6.468 5.654 ( -3.089 -4.670 0.202) 5.603 5.658 ( -3.351 -5.311 0.029) 6.280 5.780 ( 1.391 5.839 -2.137) 6.371 5.798 ( 0.846 10.873 -4.539) 11.813 5.889 ( -1.428 -4.970 -0.261) 5.177 5.926 ( -3.876 -1.431 -3.759) 5.586 6.312 ( -1.033 6.466 0.435) 6.563 6.317 ( -1.660 8.748 0.051) 8.904 6.478 ( 0.338 2.088 3.230) 3.861 6.484 ( -0.245 2.606 2.854) 3.872 6.568 ( 1.298 -4.508 -2.841) 5.484 6.575 ( 0.789 -4.873 -3.358) 5.970 6.907 ( 4.530 -2.235 1.070) 5.163 6.930 ( 4.185 -3.141 -1.062) 5.340 7.036 ( -2.323 -2.498 1.800) 3.858 7.071 ( -3.754 -3.750 -1.442) 5.499 7.823 ( 2.029 -8.947 1.937) 9.376 7.838 ( 1.080 -8.606 0.882) 8.718 8.109 ( -0.472 -4.004 0.635) 4.081 8.148 ( -3.756 -3.563 -2.692) 5.835 8.645 ( 0.422 15.411 1.281) 15.470 8.664 ( -1.138 15.308 -0.537) 15.360 9.136 ( 2.656 -0.957 0.578) 2.882 9.154 ( 1.218 -1.610 -1.076) 2.288 9.340 ( 2.502 -0.233 1.263) 2.812 9.344 ( 2.130 -0.481 0.819) 2.332 9.769 ( 1.479 3.296 1.363) 3.861 9.793 ( -0.538 3.018 -0.739) 3.154 10.417 ( 1.098 -4.654 2.015) 5.189 10.442 ( -0.713 -6.084 1.390) 6.281 10.477 ( 1.476 -6.110 -0.859) 6.344 10.525 ( -2.412 -9.092 -3.342) 9.982 11.915 ( 0.420 0.779 0.706) 1.132 11.931 ( -0.897 0.386 -0.631) 1.163 12.084 ( -0.058 -2.825 -0.367) 2.849 12.098 ( -1.255 -1.581 -1.752) 2.673 12.298 ( 1.480 3.176 1.209) 3.706 12.313 ( 0.275 3.618 -0.175) 3.633 12.798 ( 0.813 6.479 3.906) 7.609 12.828 ( -1.901 6.356 4.797) 8.187 12.887 ( 1.363 7.273 -3.994) 8.409 12.926 ( -2.065 7.227 -3.981) 8.506 13.234 ( 2.702 1.861 4.678) 5.714 13.275 ( -0.359 1.690 1.676) 2.407 13.369 ( 0.056 9.927 0.638) 9.947 13.377 ( -0.759 9.987 -0.233) 10.019 13.548 ( -1.870 1.075 -0.204) 2.167 13.565 ( -2.749 -0.381 -1.361) 3.091 13.646 ( 0.208 -1.050 0.787) 1.328 13.670 ( -1.621 -2.040 -1.417) 2.966 14.118 ( 2.509 -1.828 3.470) 4.656 14.127 ( 2.051 -0.936 3.038) 3.783 14.153 ( -0.298 -2.170 -0.650) 2.285 14.175 ( -0.224 0.264 0.661) 0.747 14.628 ( 1.486 -3.060 1.732) 3.818 14.738 ( -7.644 -2.196 -7.601) 11.002 15.015 ( 2.218 5.710 1.726) 6.364 15.044 ( -0.425 4.658 -1.000) 4.783 16.062 ( 5.182 -10.451 0.464) 11.674 16.099 ( 2.444 -11.723 -2.953) 12.334 16.517 ( 3.836 1.298 0.310) 4.061 16.520 ( 4.283 1.248 0.008) 4.462 16.608 ( -3.671 0.186 0.709) 3.743 16.620 ( -4.000 0.110 -0.388) 4.021 18.475 ( 1.098 2.420 1.005) 2.841 18.490 ( -0.308 2.282 -0.431) 2.342 18.664 ( 4.636 5.367 2.944) 7.679 18.693 ( 1.743 5.986 -0.644) 6.268 18.773 ( -0.458 9.614 3.352) 10.192 18.778 ( 0.222 5.375 5.494) 7.689 18.991 ( 2.214 1.161 -6.542) 7.003 19.042 ( -1.956 0.159 -8.837) 9.052 19.842 ( 11.546 -6.877 4.453) 14.157 19.962 ( 5.838 -6.310 -6.270) 10.640 20.181 ( -10.516 -8.860 2.663) 14.006 20.246 ( -11.107 -8.340 -3.368) 14.292======================= Grid point 80 (31/36) =======================q-point: ( 0.00 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.863 ( 0.000 1.727 7.647) 7.839 0.897 ( 0.000 8.626 -1.275) 8.720 1.008 ( 0.000 7.749 -0.738) 7.784 1.070 ( 0.000 0.556 -0.220) 0.598 1.134 ( 0.000 3.275 -5.522) 6.420 1.182 ( 0.000 1.044 -10.409) 10.461 1.673 ( 0.000 -4.751 0.942) 4.843 1.673 ( 0.000 -5.676 -0.232) 5.681 1.790 ( 0.000 3.556 0.859) 3.658 1.790 ( 0.000 13.167 -0.656) 13.183 1.816 ( 0.000 -0.342 3.508) 3.525 1.906 ( 0.000 2.579 -3.711) 4.519 1.949 ( 0.000 -3.457 -1.303) 3.695 1.984 ( 0.000 -3.731 -3.406) 5.052 2.046 ( 0.000 4.676 -0.952) 4.772 2.047 ( 0.000 6.128 -1.249) 6.254 2.178 ( 0.000 -2.064 -0.904) 2.253 2.178 ( 0.000 -0.784 -1.442) 1.641 2.341 ( 0.000 0.325 0.112) 0.344 2.344 ( 0.000 3.009 -0.353) 3.030 2.476 ( 0.000 -0.130 0.026) 0.132 2.482 ( 0.000 0.102 -0.125) 0.161 2.672 ( 0.000 2.580 4.796) 5.446 2.750 ( 0.000 4.252 -2.410) 4.887 2.932 ( 0.000 3.719 2.707) 4.600 2.979 ( 0.000 2.135 -1.032) 2.371 3.048 ( 0.000 0.390 -0.130) 0.411 3.056 ( 0.000 -0.520 -0.640) 0.825 3.223 ( 0.000 -4.192 2.338) 4.800 3.278 ( 0.000 -4.226 -2.718) 5.025 3.400 ( 0.000 0.540 0.562) 0.780 3.417 ( 0.000 0.555 -1.072) 1.207 3.764 ( 0.000 10.818 0.633) 10.837 3.783 ( 0.000 7.632 -0.950) 7.691 3.808 ( 0.000 7.923 1.345) 8.036 3.833 ( 0.000 6.230 -0.748) 6.275 3.915 ( 0.000 5.634 1.339) 5.791 3.922 ( 0.000 0.980 1.302) 1.630 3.975 ( 0.000 1.456 -1.749) 2.276 3.977 ( 0.000 -2.044 -1.633) 2.616 4.087 ( 0.000 1.539 0.780) 1.725 4.105 ( 0.000 -1.838 -0.627) 1.942 4.551 ( 0.000 -10.505 2.335) 10.761 4.577 ( 0.000 -12.839 -0.132) 12.839 4.726 ( 0.000 3.223 0.319) 3.239 4.748 ( 0.000 5.530 -1.459) 5.719 4.885 ( 0.000 -1.143 3.919) 4.082 4.964 ( 0.000 4.180 -2.426) 4.833 5.005 ( 0.000 -1.337 -0.915) 1.620 5.028 ( 0.000 2.527 -2.033) 3.243 5.387 ( 0.000 -2.268 4.866) 5.369 5.461 ( 0.000 -4.855 -1.909) 5.217 5.503 ( 0.000 4.436 4.856) 6.577 5.580 ( 0.000 7.839 0.347) 7.847 5.603 ( 0.000 3.754 -5.036) 6.281 5.634 ( 0.000 1.095 -3.881) 4.032 5.735 ( 0.000 4.193 2.105) 4.692 5.744 ( 0.000 0.246 0.416) 0.483 5.754 ( 0.000 6.537 1.515) 6.711 5.834 ( 0.000 4.329 -4.868) 6.514 6.093 ( 0.000 1.412 -1.212) 1.861 6.099 ( 0.000 7.696 -2.526) 8.100 6.208 ( 0.000 -2.135 1.094) 2.399 6.250 ( 0.000 -5.579 -2.709) 6.202 6.394 ( 0.000 -1.080 4.716) 4.838 6.483 ( 0.000 -1.406 -3.772) 4.026 6.596 ( 0.000 -2.004 -0.116) 2.008 6.596 ( 0.000 -3.758 -0.151) 3.761 6.738 ( 0.000 -1.683 1.275) 2.112 6.760 ( 0.000 -1.173 -0.976) 1.526 6.873 ( 0.000 -10.947 0.598) 10.963 6.882 ( 0.000 -12.555 -0.452) 12.563 7.951 ( 0.000 21.636 1.013) 21.660 7.970 ( 0.000 20.175 -0.914) 20.196 8.191 ( 0.000 -0.655 4.161) 4.212 8.310 ( 0.000 -1.921 -7.525) 7.767 8.855 ( 0.000 4.044 -0.141) 4.046 8.861 ( 0.000 4.358 -1.094) 4.493 9.048 ( 0.000 1.177 0.050) 1.178 9.051 ( 0.000 -0.063 0.082) 0.103 9.251 ( 0.000 2.959 1.455) 3.298 9.270 ( 0.000 2.506 -0.132) 2.509 9.652 ( 0.000 -11.462 3.439) 11.967 9.707 ( 0.000 -12.381 -1.721) 12.500 10.314 ( 0.000 -1.916 1.164) 2.242 10.344 ( 0.000 -5.183 -1.589) 5.421 10.382 ( 0.000 -0.877 -0.709) 1.127 10.386 ( 0.000 -1.061 -0.926) 1.409 11.866 ( 0.000 -1.409 0.894) 1.668 11.887 ( 0.000 -0.419 -0.804) 0.906 12.032 ( 0.000 -4.185 1.658) 4.501 12.086 ( 0.000 -5.141 -3.061) 5.984 12.495 ( 0.000 13.571 2.449) 13.790 12.565 ( 0.000 11.644 -4.659) 12.542 12.950 ( 0.000 2.502 2.407) 3.472 12.967 ( 0.000 2.505 0.962) 2.683 13.027 ( 0.000 7.563 4.953) 9.041 13.120 ( 0.000 8.569 -3.362) 9.205 13.269 ( 0.000 5.618 -1.247) 5.755 13.283 ( 0.000 4.815 -3.059) 5.704 13.442 ( 0.000 -5.317 3.332) 6.274 13.516 ( 0.000 -3.240 -3.417) 4.709 13.725 ( 0.000 6.018 5.128) 7.907 13.727 ( 0.000 4.368 4.544) 6.303 13.832 ( 0.000 1.360 -3.800) 4.036 13.859 ( 0.000 0.298 -5.539) 5.547 13.978 ( 0.000 -3.022 3.511) 4.633 14.057 ( 0.000 -4.000 -3.761) 5.491 14.095 ( 0.000 8.373 1.409) 8.491 14.117 ( 0.000 15.659 -0.960) 15.689 14.819 ( 0.000 -15.365 7.256) 16.992 14.922 ( 0.000 -12.638 -1.509) 12.728 15.020 ( 0.000 3.592 -0.216) 3.598 15.020 ( 0.000 4.762 -1.757) 5.076 15.461 ( 0.000 -4.076 4.906) 6.378 15.563 ( 0.000 -6.686 -4.611) 8.122 16.464 ( 0.000 3.765 0.093) 3.766 16.474 ( 0.000 3.539 -0.638) 3.596 16.651 ( 0.000 -3.738 0.770) 3.816 16.668 ( 0.000 -4.402 -0.565) 4.438 18.459 ( 0.000 5.793 1.310) 5.939 18.463 ( 0.000 2.470 0.844) 2.610 18.631 ( 0.000 -3.545 8.060) 8.806 18.676 ( 0.000 3.683 1.819) 4.108 18.794 ( 0.000 7.822 -1.641) 7.992 18.890 ( 0.000 -2.534 -8.473) 8.844 19.058 ( 0.000 11.321 7.057) 13.341 19.268 ( 0.000 11.718 -12.598) 17.205 19.483 ( 0.000 -5.090 8.094) 9.561 19.701 ( 0.000 -7.233 -11.712) 13.765 20.354 ( 0.000 -9.460 0.658) 9.483 20.359 ( 0.000 -8.237 0.183) 8.239======================= Grid point 81 (32/36) =======================q-point: ( 0.20 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( -2.085 3.645 10.720) 11.513 0.963 ( 2.360 8.109 -0.730) 8.477 0.983 ( 3.096 0.767 -3.601) 4.811 1.053 ( 0.942 0.607 -6.581) 6.675 1.212 ( 7.744 3.729 -1.450) 8.716 1.275 ( 4.168 3.121 -6.638) 8.436 1.569 ( -7.249 -1.311 2.842) 7.896 1.648 ( -4.247 0.567 -3.556) 5.568 1.769 ( 1.718 -5.019 2.620) 5.917 1.823 ( 0.176 -2.994 -1.971) 3.589 1.864 ( 1.505 4.435 1.348) 4.874 1.920 ( -0.115 3.396 -0.384) 3.420 1.933 ( -0.900 -1.959 1.438) 2.592 1.997 ( -1.901 -5.391 -0.459) 5.735 2.026 ( -1.213 7.398 -2.773) 7.993 2.038 ( -0.345 2.841 -3.250) 4.330 2.106 ( -3.228 1.693 -0.818) 3.736 2.119 ( -2.497 1.640 -1.618) 3.398 2.280 ( -3.291 0.840 1.764) 3.827 2.326 ( -1.162 -2.414 -2.653) 3.770 2.452 ( -1.607 2.628 1.096) 3.270 2.485 ( -0.900 1.481 -2.290) 2.872 2.710 ( 2.215 -1.521 3.561) 4.461 2.769 ( 0.520 -1.534 -1.968) 2.549 2.911 ( -2.536 3.563 1.497) 4.622 2.947 ( -3.207 2.929 -1.539) 4.608 3.045 ( 0.740 4.217 1.285) 4.470 3.064 ( -1.524 4.394 -0.321) 4.661 3.128 ( -5.637 -4.066 1.655) 7.145 3.163 ( -6.795 -1.374 -1.226) 7.040 3.383 ( -2.064 -0.708 -0.134) 2.187 3.388 ( -2.549 0.252 -0.577) 2.626 3.742 ( -1.115 8.030 0.627) 8.132 3.764 ( -1.040 4.724 -1.007) 4.941 3.793 ( -1.460 10.768 0.711) 10.890 3.817 ( -1.602 6.859 -1.262) 7.155 3.942 ( 3.879 5.159 1.539) 6.636 3.965 ( 2.643 6.365 0.036) 6.892 4.000 ( 2.228 1.570 -0.272) 2.739 4.021 ( 1.134 3.142 -1.559) 3.687 4.142 ( 4.877 -1.044 1.283) 5.150 4.165 ( 5.014 -3.105 -0.789) 5.950 4.518 ( -2.987 -7.527 2.393) 8.444 4.554 ( -2.510 -9.844 -0.832) 10.193 4.718 ( -0.399 -0.019 0.246) 0.470 4.733 ( -0.317 -0.334 -0.910) 1.020 4.853 ( -2.711 -2.706 3.417) 5.133 4.929 ( -4.433 -2.554 -3.625) 6.270 5.029 ( 3.471 5.672 0.963) 6.719 5.058 ( 2.641 4.765 -1.770) 5.728 5.386 ( -0.190 -0.525 4.417) 4.453 5.442 ( -1.834 -2.323 0.954) 3.110 5.508 ( 0.022 1.041 1.540) 1.860 5.547 ( -2.827 6.378 -0.117) 6.978 5.568 ( -3.376 3.922 -2.282) 5.656 5.587 ( -2.332 3.251 -3.960) 5.629 5.681 ( -2.373 4.291 0.443) 4.923 5.702 ( -2.189 3.861 -1.313) 4.629 5.793 ( 0.992 2.661 1.985) 3.465 5.845 ( -0.632 0.837 -2.452) 2.667 6.092 ( 0.339 9.478 -2.366) 9.775 6.103 ( 0.198 7.187 -3.354) 7.933 6.228 ( 1.958 -3.507 2.595) 4.782 6.286 ( 2.144 -6.589 -2.522) 7.374 6.396 ( 0.254 -2.054 3.944) 4.454 6.475 ( -0.942 -2.081 -3.253) 3.975 6.563 ( -1.998 -3.011 0.238) 3.621 6.569 ( -1.799 -4.136 -0.192) 4.514 6.755 ( 1.607 -3.588 1.153) 4.097 6.781 ( 1.602 -1.751 -1.348) 2.729 6.891 ( 1.072 -10.980 0.576) 11.048 6.900 ( 0.989 -11.097 -0.244) 11.144 7.949 ( 0.035 20.317 1.438) 20.368 7.975 ( 0.481 19.396 -0.880) 19.422 8.164 ( -2.105 1.708 3.262) 4.241 8.269 ( -3.523 1.096 -6.741) 7.685 8.836 ( -0.315 4.647 1.584) 4.920 8.873 ( 0.244 4.357 -2.291) 4.929 9.054 ( 0.874 -2.355 1.477) 2.914 9.080 ( 1.187 -1.329 -1.125) 2.108 9.289 ( 3.043 2.566 1.340) 4.200 9.301 ( 2.454 2.253 0.469) 3.365 9.675 ( 1.925 -10.536 2.746) 11.056 9.720 ( 0.978 -11.585 -1.366) 11.707 10.319 ( 0.499 -1.803 1.115) 2.178 10.349 ( 0.396 -4.533 -1.620) 4.830 10.375 ( -0.525 -1.204 -0.471) 1.396 10.382 ( -0.310 -1.411 -0.993) 1.753 11.873 ( 0.579 -1.353 0.971) 1.763 11.893 ( 0.482 -0.669 -0.734) 1.104 12.023 ( -0.777 -3.918 1.443) 4.247 12.070 ( -1.468 -4.645 -2.687) 5.563 12.499 ( 0.560 13.578 2.158) 13.760 12.557 ( -0.521 12.311 -3.747) 12.879 12.911 ( -2.272 2.697 2.910) 4.572 12.944 ( -2.953 0.394 0.606) 3.040 13.053 ( 2.277 9.056 4.075) 10.188 13.125 ( 0.364 8.949 -2.723) 9.361 13.268 ( 0.598 5.579 1.231) 5.744 13.308 ( 1.339 3.180 -1.817) 3.900 13.458 ( 1.294 -5.001 1.633) 5.417 13.516 ( -0.021 -2.778 -3.214) 4.248 13.592 ( -6.046 0.752 2.134) 6.456 13.640 ( -8.552 -0.651 -2.191) 8.852 13.783 ( -0.012 8.929 5.969) 10.741 13.908 ( -2.639 11.693 -4.907) 12.952 14.000 ( 2.555 -2.780 1.820) 4.192 14.063 ( 1.337 -1.019 -2.807) 3.272 14.118 ( 0.515 2.463 2.374) 3.459 14.164 ( 3.382 6.676 -1.272) 7.591 14.586 ( -10.100 -9.478 11.698) 18.130 14.806 ( -9.768 -11.792 -8.804) 17.662 15.084 ( 5.629 6.981 1.468) 9.087 15.133 ( 5.034 6.325 -2.905) 8.590 15.629 ( 10.387 -10.920 2.132) 15.221 15.675 ( 7.274 -10.781 -2.040) 13.164 16.490 ( 2.299 3.126 0.487) 3.911 16.504 ( 2.125 3.117 -0.625) 3.824 16.640 ( -0.980 -2.613 0.797) 2.902 16.653 ( -1.173 -2.959 -0.322) 3.200 18.499 ( 2.940 4.925 1.459) 5.919 18.506 ( 2.792 2.607 0.725) 3.888 18.675 ( 3.181 -2.310 6.333) 7.453 18.719 ( 3.396 2.809 1.907) 4.802 18.823 ( 3.029 8.061 -0.435) 8.622 18.929 ( 3.733 -0.802 -7.877) 8.754 19.049 ( -0.833 11.566 5.910) 13.015 19.247 ( -2.066 10.987 -13.013) 17.156 19.512 ( 3.224 -6.447 7.900) 10.694 19.708 ( 1.142 -8.203 -10.402) 13.296 20.221 ( -10.574 -9.159 2.588) 14.227 20.263 ( -8.816 -9.681 -1.516) 13.181======================= Grid point 82 (33/36) =======================q-point: ( 0.40 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 1.565 6.028 5.785) 8.501 0.900 ( -3.644 6.737 -0.664) 7.688 1.159 ( 10.185 -0.607 0.715) 10.228 1.216 ( 9.644 2.158 -2.430) 10.177 1.315 ( -0.733 -2.331 -0.348) 2.469 1.383 ( 4.413 2.958 -6.052) 8.053 1.409 ( -5.753 1.782 1.551) 6.219 1.500 ( -7.491 1.059 -6.352) 9.879 1.732 ( -4.322 -5.776 2.275) 7.564 1.756 ( -6.226 -4.319 0.102) 7.578 1.853 ( -1.292 -4.049 0.005) 4.250 1.868 ( 1.113 -8.495 -1.198) 8.651 1.929 ( -2.232 -4.916 1.403) 5.578 1.961 ( -1.513 -5.465 -0.678) 5.711 2.038 ( 2.466 2.424 -0.296) 3.471 2.053 ( 0.898 -1.771 -0.353) 2.017 2.086 ( 2.611 13.879 0.268) 14.125 2.118 ( 0.240 10.223 -1.351) 10.315 2.288 ( 3.336 -1.229 0.121) 3.557 2.327 ( 1.226 -3.327 -3.125) 4.726 2.391 ( -3.464 3.955 0.597) 5.291 2.428 ( -4.098 3.157 -3.131) 6.047 2.733 ( 0.086 -3.936 1.131) 4.096 2.749 ( -1.536 -5.089 -0.439) 5.334 2.870 ( -0.950 4.887 0.002) 4.979 2.880 ( -2.056 4.435 -0.661) 4.932 2.935 ( -4.073 3.698 0.484) 5.523 2.944 ( -4.940 3.270 -0.176) 5.927 3.145 ( 2.760 -0.714 0.967) 3.011 3.155 ( 1.977 1.191 -0.001) 2.309 3.321 ( -2.643 2.402 -0.190) 3.576 3.323 ( -2.611 1.536 -0.410) 3.057 3.730 ( -0.041 6.433 0.761) 6.478 3.740 ( -0.979 5.136 0.559) 5.258 3.773 ( -0.145 9.763 -1.488) 9.877 3.783 ( -1.083 7.863 -1.662) 8.110 4.004 ( 0.958 7.489 0.791) 7.591 4.015 ( 0.471 7.951 -0.033) 7.965 4.047 ( 2.496 4.963 0.389) 5.569 4.057 ( 1.905 5.025 -0.419) 5.390 4.259 ( 4.832 -2.684 1.424) 5.708 4.280 ( 4.101 -2.950 -0.439) 5.071 4.438 ( -3.115 -5.244 1.367) 6.251 4.468 ( -4.512 -5.474 -1.239) 7.201 4.732 ( 1.733 -4.859 0.644) 5.199 4.748 ( 1.765 -5.287 -0.740) 5.623 4.786 ( -2.968 -5.069 1.605) 6.089 4.820 ( -4.652 -5.018 -1.627) 7.034 5.111 ( 2.952 7.295 0.378) 7.879 5.120 ( 2.120 6.809 -0.464) 7.146 5.383 ( 0.107 4.429 2.952) 5.323 5.397 ( -1.501 2.738 2.173) 3.804 5.465 ( -2.434 3.158 -0.931) 4.094 5.480 ( -3.595 -1.101 -1.742) 4.144 5.515 ( -0.055 -5.193 0.537) 5.221 5.535 ( -1.839 -0.425 -1.214) 2.245 5.674 ( 1.168 9.951 -0.807) 10.051 5.688 ( 0.302 10.991 -1.910) 11.160 5.786 ( -0.714 -0.483 0.859) 1.217 5.805 ( -2.193 0.041 -0.725) 2.310 6.105 ( 0.513 11.727 -3.195) 12.166 6.109 ( 0.175 11.127 -3.657) 11.714 6.277 ( 2.016 -4.659 2.545) 5.679 6.307 ( -0.480 -5.271 0.481) 5.315 6.411 ( 1.174 -4.722 0.620) 4.905 6.442 ( -1.623 -4.209 -1.600) 4.786 6.536 ( -0.438 -3.852 0.295) 3.888 6.540 ( -0.733 -3.850 0.038) 3.919 6.800 ( 1.969 -7.510 0.297) 7.769 6.815 ( 0.891 -6.454 -1.131) 6.613 6.902 ( 0.052 -8.117 0.545) 8.135 6.907 ( -0.302 -8.051 0.076) 8.057 7.962 ( 1.146 17.712 2.004) 17.862 7.983 ( -0.223 17.211 0.635) 17.224 8.129 ( -0.050 6.068 -0.318) 6.077 8.179 ( -3.938 5.945 -4.432) 8.396 8.848 ( 1.089 4.288 1.411) 4.644 8.870 ( -0.644 4.253 -0.755) 4.367 9.073 ( 0.860 -4.935 0.642) 5.050 9.089 ( -0.362 -4.013 -0.823) 4.112 9.350 ( 1.792 1.780 1.305) 2.843 9.352 ( 1.556 1.803 1.142) 2.641 9.720 ( 1.727 -9.585 1.233) 9.817 9.737 ( 0.237 -10.127 -0.282) 10.134 10.334 ( 0.808 -1.559 0.670) 1.880 10.351 ( -0.532 -1.977 -0.578) 2.127 10.368 ( 0.148 -2.924 -0.836) 3.044 10.375 ( -0.340 -2.335 -1.128) 2.615 11.889 ( 0.803 -0.983 0.591) 1.401 11.900 ( -0.041 -0.754 -0.383) 0.847 12.009 ( -0.114 -4.002 0.608) 4.050 12.030 ( -1.827 -4.187 -1.305) 4.751 12.524 ( 1.488 14.021 1.027) 14.137 12.548 ( -0.508 13.799 -1.453) 13.884 12.867 ( -1.260 0.610 2.264) 2.661 12.876 ( -2.248 -0.059 1.861) 2.919 13.103 ( 1.953 9.525 1.474) 9.834 13.128 ( -0.294 9.577 -0.879) 9.622 13.297 ( 1.720 4.236 3.463) 5.736 13.323 ( -0.260 2.451 2.271) 3.351 13.483 ( -0.233 -5.916 -0.241) 5.925 13.498 ( -0.915 0.269 -0.957) 1.351 13.503 ( -2.993 -1.292 -0.835) 3.365 13.515 ( -0.751 -3.713 -2.921) 4.784 13.773 ( 0.204 12.687 3.064) 13.054 13.819 ( -3.867 14.435 -0.833) 14.967 14.060 ( 2.451 -2.811 1.956) 4.211 14.101 ( -0.867 -2.260 0.214) 2.430 14.124 ( 2.969 0.951 2.193) 3.811 14.190 ( -1.607 1.924 -0.746) 2.615 14.491 ( 1.330 -9.405 1.764) 9.661 14.601 ( -7.806 -10.090 -7.296) 14.696 15.198 ( 3.690 10.645 0.946) 11.306 15.218 ( 1.973 10.459 -0.778) 10.672 15.783 ( 3.711 -14.272 0.304) 14.750 15.798 ( 2.631 -14.707 -1.058) 14.978 16.551 ( 2.835 1.721 0.343) 3.334 16.555 ( 2.563 1.748 0.029) 3.103 16.608 ( -1.888 -0.296 0.726) 2.044 16.617 ( -2.194 -0.520 -0.072) 2.256 18.550 ( 1.183 4.504 1.136) 4.794 18.550 ( 1.032 3.584 1.019) 3.866 18.739 ( 2.398 -1.974 3.603) 4.757 18.766 ( 0.303 -1.019 1.384) 1.746 18.932 ( 5.462 10.183 2.271) 11.777 19.017 ( -2.305 11.504 3.420) 12.221 19.043 ( 5.940 5.986 -7.311) 11.161 19.169 ( -4.963 9.305 -10.687) 15.014 19.655 ( 9.845 -9.158 5.377) 14.482 19.782 ( 5.495 -9.788 -6.385) 12.914 19.947 ( -12.209 -10.917 3.363) 16.720 20.021 ( -11.662 -11.362 -3.513) 16.657======================= Grid point 85 (34/36) =======================q-point: ( 0.00 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 0.000 -2.985 -0.034) 2.985 0.924 ( 0.000 2.985 -0.034) 2.985 1.086 ( 0.000 -1.220 -5.411) 5.547 1.086 ( 0.000 1.220 -5.411) 5.547 1.265 ( 0.000 -0.426 -2.032) 2.076 1.265 ( 0.000 0.426 -2.032) 2.076 1.538 ( 0.000 -0.130 -0.244) 0.277 1.538 ( 0.000 0.130 -0.244) 0.277 1.793 ( 0.000 -0.365 4.255) 4.271 1.793 ( 0.000 0.365 4.255) 4.271 1.914 ( 0.000 -0.102 -5.136) 5.137 1.914 ( 0.000 0.102 -5.136) 5.137 1.954 ( 0.000 -0.049 1.091) 1.092 1.954 ( 0.000 0.049 1.091) 1.092 2.083 ( 0.000 -0.500 -2.375) 2.427 2.083 ( 0.000 0.500 -2.375) 2.427 2.246 ( 0.000 -2.214 -0.500) 2.269 2.246 ( 0.000 2.214 -0.500) 2.269 2.330 ( 0.000 -2.455 -0.996) 2.649 2.330 ( 0.000 2.455 -0.996) 2.649 2.467 ( 0.000 -0.170 -0.442) 0.473 2.467 ( 0.000 0.170 -0.442) 0.473 2.736 ( 0.000 -3.171 1.626) 3.563 2.736 ( 0.000 3.171 1.626) 3.563 3.023 ( 0.000 -0.202 1.647) 1.660 3.023 ( 0.000 0.202 1.647) 1.660 3.053 ( 0.000 -1.853 -1.222) 2.220 3.053 ( 0.000 1.853 -1.222) 2.220 3.294 ( 0.000 -4.746 -0.068) 4.746 3.294 ( 0.000 4.746 -0.068) 4.746 3.312 ( 0.000 -1.811 0.012) 1.811 3.312 ( 0.000 1.811 0.012) 1.811 3.819 ( 0.000 -0.031 0.260) 0.262 3.819 ( 0.000 0.031 0.260) 0.262 3.921 ( 0.000 -1.157 -0.081) 1.160 3.921 ( 0.000 1.157 -0.081) 1.160 3.934 ( 0.000 -0.610 0.506) 0.793 3.934 ( 0.000 0.610 0.506) 0.793 4.031 ( 0.000 -0.577 -1.099) 1.241 4.031 ( 0.000 0.577 -1.099) 1.241 4.164 ( 0.000 -1.023 -0.484) 1.132 4.164 ( 0.000 1.023 -0.484) 1.132 4.357 ( 0.000 -0.067 1.294) 1.295 4.357 ( 0.000 0.067 1.294) 1.295 4.795 ( 0.000 -2.049 3.141) 3.751 4.795 ( 0.000 2.049 3.141) 3.751 4.914 ( 0.000 -4.421 -2.993) 5.339 4.914 ( 0.000 4.421 -2.993) 5.339 5.089 ( 0.000 -1.267 -1.108) 1.683 5.089 ( 0.000 1.267 -1.108) 1.683 5.335 ( 0.000 -1.389 0.529) 1.486 5.335 ( 0.000 1.389 0.529) 1.486 5.553 ( 0.000 -3.847 2.985) 4.869 5.553 ( 0.000 3.847 2.985) 4.869 5.630 ( 0.000 -0.371 -2.861) 2.885 5.630 ( 0.000 0.371 -2.861) 2.885 5.815 ( 0.000 -0.361 -0.717) 0.802 5.815 ( 0.000 0.361 -0.717) 0.802 5.870 ( 0.000 -1.030 -0.542) 1.164 5.870 ( 0.000 1.030 -0.542) 1.164 6.140 ( 0.000 -2.944 -0.366) 2.966 6.140 ( 0.000 2.944 -0.366) 2.966 6.220 ( 0.000 -0.049 -0.383) 0.386 6.220 ( 0.000 0.049 -0.383) 0.386 6.420 ( 0.000 -4.905 2.435) 5.476 6.420 ( 0.000 4.905 2.435) 5.476 6.494 ( 0.000 -2.230 -1.331) 2.597 6.494 ( 0.000 2.230 -1.331) 2.597 6.699 ( 0.000 -0.269 0.585) 0.644 6.699 ( 0.000 0.269 0.585) 0.644 6.797 ( 0.000 -0.932 -1.354) 1.644 6.797 ( 0.000 0.932 -1.354) 1.644 8.197 ( 0.000 -0.145 1.288) 1.296 8.197 ( 0.000 0.145 1.288) 1.296 8.309 ( 0.000 -4.463 -3.755) 5.833 8.309 ( 0.000 4.463 -3.755) 5.833 8.954 ( 0.000 -1.171 0.588) 1.310 8.954 ( 0.000 1.171 0.588) 1.310 9.005 ( 0.000 -2.232 0.350) 2.259 9.005 ( 0.000 2.232 0.350) 2.259 9.350 ( 0.000 -0.767 0.810) 1.116 9.350 ( 0.000 0.767 0.810) 1.116 9.396 ( 0.000 -3.020 0.486) 3.059 9.396 ( 0.000 3.020 0.486) 3.059 10.313 ( 0.000 -0.256 0.007) 0.257 10.313 ( 0.000 0.256 0.007) 0.257 10.377 ( 0.000 -0.078 -1.080) 1.082 10.377 ( 0.000 0.078 -1.080) 1.082 11.883 ( 0.000 -1.532 0.644) 1.662 11.883 ( 0.000 1.532 0.644) 1.662 11.992 ( 0.000 -2.219 -1.233) 2.539 11.992 ( 0.000 2.219 -1.233) 2.539 12.679 ( 0.000 -1.832 0.077) 1.833 12.679 ( 0.000 1.832 0.077) 1.833 12.971 ( 0.000 -0.425 1.450) 1.511 12.971 ( 0.000 0.425 1.450) 1.511 13.220 ( 0.000 -6.829 3.002) 7.460 13.220 ( 0.000 6.829 3.002) 7.460 13.341 ( 0.000 -2.845 -3.527) 4.532 13.341 ( 0.000 2.845 -3.527) 4.532 13.388 ( 0.000 -3.223 -0.627) 3.284 13.388 ( 0.000 3.223 -0.627) 3.284 13.774 ( 0.000 -0.199 1.780) 1.791 13.774 ( 0.000 0.199 1.780) 1.791 13.861 ( 0.000 -2.035 1.327) 2.430 13.861 ( 0.000 2.035 1.327) 2.430 13.948 ( 0.000 -4.158 -3.583) 5.489 13.948 ( 0.000 4.158 -3.583) 5.489 14.376 ( 0.000 -9.447 6.319) 11.366 14.376 ( 0.000 9.447 6.319) 11.366 14.605 ( 0.000 -10.859 -4.078) 11.600 14.605 ( 0.000 10.859 -4.078) 11.600 15.077 ( 0.000 -0.412 0.072) 0.418 15.077 ( 0.000 0.412 0.072) 0.418 15.447 ( 0.000 -3.038 0.436) 3.069 15.447 ( 0.000 3.038 0.436) 3.069 16.554 ( 0.000 -2.497 -0.386) 2.527 16.554 ( 0.000 2.497 -0.386) 2.527 16.567 ( 0.000 -2.601 -0.054) 2.602 16.567 ( 0.000 2.601 -0.054) 2.602 18.536 ( 0.000 -3.762 4.930) 6.201 18.536 ( 0.000 3.762 4.930) 6.201 18.613 ( 0.000 -6.634 -1.074) 6.721 18.613 ( 0.000 6.634 -1.074) 6.721 18.900 ( 0.000 -0.410 -2.900) 2.929 18.900 ( 0.000 0.410 -2.900) 2.929 19.273 ( 0.000 -7.844 6.882) 10.435 19.273 ( 0.000 7.844 6.882) 10.435 19.535 ( 0.000 -7.505 -10.091) 12.576 19.535 ( 0.000 7.505 -10.091) 12.576 20.248 ( 0.000 -0.586 -0.758) 0.958 20.248 ( 0.000 0.586 -0.758) 0.958======================= Grid point 87 (35/36) =======================q-point: ( 0.20 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.939 ( 0.275 -3.812 3.216) 4.996 0.939 ( 0.275 3.812 3.216) 4.996 1.054 ( 1.832 -0.846 -7.356) 7.628 1.054 ( 1.832 0.846 -7.356) 7.628 1.380 ( 6.342 -6.276 -0.991) 8.977 1.380 ( 6.342 6.276 -0.991) 8.977 1.511 ( -2.085 -6.422 -1.617) 6.943 1.511 ( -2.085 6.422 -1.617) 6.943 1.743 ( -5.852 -4.491 1.836) 7.602 1.743 ( -5.852 4.491 1.836) 7.602 1.862 ( -2.566 -3.109 -0.300) 4.042 1.862 ( -2.566 3.109 -0.300) 4.042 1.933 ( -1.557 -1.397 -0.084) 2.093 1.933 ( -1.557 1.397 -0.084) 2.093 2.053 ( -4.985 -0.622 -1.610) 5.276 2.053 ( -4.985 0.622 -1.610) 5.276 2.246 ( -0.792 -4.198 -0.311) 4.283 2.246 ( -0.792 4.198 -0.311) 4.283 2.290 ( 1.683 -4.969 -2.764) 5.930 2.290 ( 1.683 4.969 -2.764) 5.930 2.504 ( 2.211 -0.979 -0.613) 2.495 2.504 ( 2.211 0.979 -0.613) 2.495 2.679 ( -4.891 -2.650 1.548) 5.774 2.679 ( -4.891 2.650 1.548) 5.774 3.017 ( -1.194 -3.926 0.866) 4.194 3.017 ( -1.194 3.926 0.866) 4.194 3.030 ( -2.646 -3.506 -0.253) 4.400 3.030 ( -2.646 3.506 -0.253) 4.400 3.255 ( -3.234 -5.444 0.188) 6.335 3.255 ( -3.234 5.444 0.188) 6.335 3.294 ( -0.175 -4.704 -0.370) 4.721 3.294 ( -0.175 4.704 -0.370) 4.721 3.804 ( -0.481 -0.294 -0.193) 0.596 3.804 ( -0.481 0.294 -0.193) 0.596 3.894 ( -2.293 -0.744 0.358) 2.438 3.894 ( -2.293 0.744 0.358) 2.438 3.997 ( 5.267 -0.906 -0.419) 5.361 3.997 ( 5.267 0.906 -0.419) 5.361 4.086 ( 3.723 -0.679 -0.396) 3.805 4.086 ( 3.723 0.679 -0.396) 3.805 4.202 ( 2.946 -1.004 -0.147) 3.115 4.202 ( 2.946 1.004 -0.147) 3.115 4.351 ( -0.722 -0.438 1.121) 1.403 4.351 ( -0.722 0.438 1.121) 1.403 4.746 ( -3.379 -1.503 1.897) 4.156 4.746 ( -3.379 1.503 1.897) 4.156 4.853 ( -4.859 -3.495 -2.229) 6.387 4.853 ( -4.859 3.495 -2.229) 6.387 5.150 ( 4.522 -0.766 -0.682) 4.637 5.150 ( 4.522 0.766 -0.682) 4.637 5.341 ( 0.483 -1.316 0.699) 1.566 5.341 ( 0.483 1.316 0.699) 1.566 5.517 ( -2.840 -3.594 2.283) 5.118 5.517 ( -2.840 3.594 2.283) 5.118 5.590 ( -3.387 -1.049 -2.094) 4.118 5.590 ( -3.387 1.049 -2.094) 4.118 5.816 ( 0.241 -1.068 -0.855) 1.389 5.816 ( 0.241 1.068 -0.855) 1.389 5.863 ( -0.567 -1.670 -0.872) 1.968 5.863 ( -0.567 1.670 -0.872) 1.968 6.158 ( 1.396 -2.250 -0.023) 2.648 6.158 ( 1.396 2.250 -0.023) 2.648 6.218 ( -0.213 -0.423 -0.444) 0.649 6.218 ( -0.213 0.423 -0.444) 0.649 6.418 ( -0.243 -4.380 2.357) 4.980 6.418 ( -0.243 4.380 2.357) 4.980 6.469 ( -1.811 -1.889 -1.001) 2.802 6.469 ( -1.811 1.889 -1.001) 2.802 6.723 ( 1.706 -1.959 0.298) 2.615 6.723 ( 1.706 1.959 0.298) 2.615 6.790 ( -0.530 -1.412 -1.348) 2.022 6.790 ( -0.530 1.412 -1.348) 2.022 8.205 ( 0.675 -0.610 1.085) 1.416 8.205 ( 0.675 0.610 1.085) 1.416 8.294 ( -1.306 -4.334 -3.037) 5.451 8.294 ( -1.306 4.334 -3.037) 5.451 8.950 ( -0.218 -2.536 0.572) 2.609 8.950 ( -0.218 2.536 0.572) 2.609 8.987 ( -1.300 -4.504 -0.083) 4.689 8.987 ( -1.300 4.504 -0.083) 4.689 9.397 ( 3.467 -2.885 1.040) 4.628 9.397 ( 3.467 2.885 1.040) 4.628 9.424 ( 2.194 -4.135 0.472) 4.705 9.424 ( 2.194 4.135 0.472) 4.705 10.320 ( 0.586 -0.444 -0.067) 0.738 10.320 ( 0.586 0.444 -0.067) 0.738 10.369 ( -0.611 -0.182 -0.987) 1.175 10.369 ( -0.611 0.182 -0.987) 1.175 11.888 ( 0.479 -1.429 0.673) 1.651 11.888 ( 0.479 1.429 0.673) 1.651 11.983 ( -0.906 -1.992 -0.998) 2.405 11.983 ( -0.906 1.992 -0.998) 2.405 12.688 ( 1.078 -1.611 0.199) 1.949 12.688 ( 1.078 1.611 0.199) 1.949 12.939 ( -3.010 -0.623 1.281) 3.330 12.939 ( -3.010 0.623 1.281) 3.330 13.228 ( 0.972 -5.662 3.966) 6.981 13.228 ( 0.972 5.662 3.966) 6.981 13.350 ( 0.217 -4.691 -2.697) 5.416 13.350 ( 0.217 4.691 -2.697) 5.416 13.395 ( 0.775 -4.972 -1.656) 5.297 13.395 ( 0.775 4.972 -1.656) 5.297 13.609 ( -8.331 -1.209 0.313) 8.424 13.609 ( -8.331 1.209 0.313) 8.424 13.924 ( 2.474 -3.914 3.835) 6.012 13.924 ( 2.474 3.914 3.835) 6.012 14.020 ( 3.943 -1.880 -4.595) 6.340 14.020 ( 3.943 1.880 -4.595) 6.340 14.315 ( -4.893 -11.705 8.004) 15.001 14.315 ( -4.893 11.705 8.004) 15.001 14.487 ( -7.639 -15.639 -5.614) 18.288 14.487 ( -7.639 15.639 -5.614) 18.288 15.212 ( 9.978 -2.245 -1.208) 10.298 15.212 ( 9.978 2.245 -1.208) 10.298 15.503 ( 3.286 -2.326 0.702) 4.086 15.503 ( 3.286 2.326 0.702) 4.086 16.559 ( 0.633 -1.609 -0.083) 1.731 16.559 ( 0.633 1.609 -0.083) 1.731 16.587 ( 1.238 -1.506 0.159) 1.956 16.587 ( 1.238 1.506 0.159) 1.956 18.573 ( 2.757 -2.845 3.721) 5.436 18.573 ( 2.757 2.845 3.721) 5.436 18.655 ( 2.734 -5.380 -0.109) 6.036 18.655 ( 2.734 5.380 -0.109) 6.036 18.950 ( 5.219 -1.729 -2.688) 6.119 18.950 ( 5.219 1.729 -2.688) 6.119 19.271 ( -0.315 -7.924 4.272) 9.008 19.271 ( -0.315 7.924 4.272) 9.008 19.526 ( -0.227 -7.587 -7.859) 10.926 19.526 ( -0.227 7.587 -7.859) 10.926 20.123 ( -10.641 -1.526 -0.421) 10.758 20.123 ( -10.641 1.526 -0.421) 10.758======================= Grid point 89 (36/36) =======================q-point: ( 0.40 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 6.104 -6.150 1.250) 8.755 1.000 ( 6.104 6.150 1.250) 8.755 1.115 ( -0.520 -6.195 -1.572) 6.412 1.115 ( -0.520 6.195 -1.572) 6.412 1.438 ( 1.068 -5.008 -0.510) 5.146 1.438 ( 1.068 5.008 -0.510) 5.146 1.495 ( -0.519 -1.394 -3.210) 3.538 1.495 ( -0.519 1.394 -3.210) 3.538 1.626 ( -1.461 -5.858 0.534) 6.061 1.626 ( -1.461 5.858 0.534) 6.061 1.728 ( -9.475 -3.180 -2.264) 10.248 1.728 ( -9.475 3.180 -2.264) 10.248 1.912 ( 0.553 -4.176 2.241) 4.772 1.912 ( 0.553 4.176 2.241) 4.772 1.946 ( -2.454 -3.726 -1.001) 4.573 1.946 ( -2.454 3.726 -1.001) 4.573 2.309 ( 4.488 -0.748 -0.507) 4.578 2.309 ( 4.488 0.748 -0.507) 4.578 2.347 ( 1.866 -1.035 -1.925) 2.874 2.347 ( 1.866 1.035 -1.925) 2.874 2.524 ( -0.271 -4.480 -0.441) 4.510 2.524 ( -0.271 4.480 -0.441) 4.510 2.563 ( -4.390 -3.890 0.307) 5.873 2.563 ( -4.390 3.890 0.307) 5.873 2.955 ( -2.073 -1.688 0.485) 2.717 2.955 ( -2.073 1.688 0.485) 2.717 2.970 ( -2.627 -2.344 -0.184) 3.526 2.970 ( -2.627 2.344 -0.184) 3.526 3.234 ( 1.348 -3.522 -0.027) 3.771 3.234 ( 1.348 3.522 -0.027) 3.771 3.276 ( -1.715 -2.490 -0.168) 3.028 3.276 ( -1.715 2.490 -0.168) 3.028 3.810 ( 0.944 -0.457 -0.357) 1.108 3.810 ( 0.944 0.457 -0.357) 1.108 3.843 ( -2.034 -0.491 -0.194) 2.101 3.843 ( -2.034 0.491 -0.194) 2.101 4.117 ( 4.445 -0.156 0.154) 4.450 4.117 ( 4.445 0.156 0.154) 4.450 4.152 ( 1.405 -0.437 0.164) 1.480 4.152 ( 1.405 0.437 0.164) 1.480 4.268 ( 2.741 -0.589 0.066) 2.804 4.268 ( 2.741 0.589 0.066) 2.804 4.321 ( -2.010 -1.442 0.433) 2.511 4.321 ( -2.010 1.442 0.433) 2.511 4.693 ( -0.628 -0.499 0.363) 0.881 4.693 ( -0.628 0.499 0.363) 0.881 4.739 ( -4.508 -1.700 -1.190) 4.962 4.739 ( -4.508 1.700 -1.190) 4.962 5.258 ( 4.850 -0.286 0.037) 4.858 5.258 ( 4.850 0.286 0.037) 4.858 5.338 ( -1.689 -1.003 0.671) 2.076 5.338 ( -1.689 1.003 0.671) 2.076 5.464 ( -0.730 -3.252 0.873) 3.445 5.464 ( -0.730 3.252 0.873) 3.445 5.505 ( -3.681 -2.685 -0.552) 4.590 5.505 ( -3.681 2.685 -0.552) 4.590 5.829 ( 0.864 -1.361 -1.043) 1.920 5.829 ( 0.864 1.361 -1.043) 1.920 5.848 ( -0.797 -1.660 -1.170) 2.182 5.848 ( -0.797 1.660 -1.170) 2.182 6.189 ( 1.266 -1.339 0.079) 1.844 6.189 ( 1.266 1.339 0.079) 1.844 6.209 ( -0.583 -1.131 -0.344) 1.318 6.209 ( -0.583 1.131 -0.344) 1.318 6.414 ( 0.168 -3.796 1.490) 4.081 6.414 ( 0.168 3.796 1.490) 4.081 6.431 ( -1.364 -3.030 0.039) 3.323 6.431 ( -1.364 3.030 0.039) 3.323 6.756 ( 1.202 -3.079 -0.274) 3.316 6.756 ( 1.202 3.079 -0.274) 3.316 6.777 ( -0.710 -2.601 -0.993) 2.873 6.777 ( -0.710 2.601 -0.993) 2.873 8.226 ( 1.268 -1.828 0.221) 2.236 8.226 ( 1.268 1.828 0.221) 2.236 8.259 ( -1.658 -3.411 -1.370) 4.032 8.259 ( -1.658 3.411 -1.370) 4.032 8.949 ( 0.191 -4.460 0.186) 4.468 8.949 ( 0.191 4.460 0.186) 4.468 8.961 ( -0.914 -5.693 -0.280) 5.772 8.961 ( -0.914 5.693 -0.280) 5.772 9.463 ( 1.881 -7.626 1.078) 7.928 9.463 ( 1.881 7.626 1.078) 7.928 9.469 ( 1.308 -7.940 0.666) 8.074 9.469 ( 1.308 7.940 0.666) 8.074 10.336 ( 0.786 -0.553 -0.315) 1.011 10.336 ( 0.786 0.553 -0.315) 1.011 10.353 ( -0.768 -0.408 -0.693) 1.112 10.353 ( -0.768 0.408 -0.693) 1.112 11.908 ( 1.464 -1.316 0.412) 2.011 11.908 ( 1.464 1.316 0.412) 2.011 11.949 ( -2.019 -1.544 -0.316) 2.561 11.949 ( -2.019 1.544 -0.316) 2.561 12.741 ( 3.842 -1.071 0.533) 4.024 12.741 ( 3.842 1.071 0.533) 4.024 12.845 ( -5.095 -0.226 0.905) 5.180 12.845 ( -5.095 0.226 0.905) 5.180 13.268 ( 2.518 -3.885 4.190) 6.244 13.268 ( 2.518 3.885 4.190) 6.244 13.326 ( -2.317 -4.252 1.522) 5.076 13.326 ( -2.317 4.252 1.522) 5.076 13.426 ( 1.853 -3.831 -3.150) 5.295 13.426 ( 1.853 3.831 -3.150) 5.295 13.479 ( -3.520 -1.058 -1.490) 3.966 13.479 ( -3.520 1.058 -1.490) 3.966 13.980 ( 2.803 -4.074 4.751) 6.858 13.980 ( 2.803 4.074 4.751) 6.858 14.046 ( -2.204 -3.641 0.361) 4.271 14.046 ( -2.204 3.641 0.361) 4.271 14.251 ( 1.283 -11.076 0.708) 11.173 14.251 ( 1.283 11.076 0.708) 11.173 14.341 ( -5.661 -12.184 -5.621) 14.563 14.341 ( -5.661 12.184 -5.621) 14.563 15.424 ( 7.895 -2.151 -0.509) 8.198 15.424 ( 7.895 2.151 -0.509) 8.198 15.529 ( -1.568 -1.950 0.276) 2.518 15.529 ( -1.568 1.950 0.276) 2.518 16.581 ( 1.205 -0.329 0.204) 1.266 16.581 ( 1.205 0.329 0.204) 1.266 16.600 ( -0.231 -0.450 0.414) 0.653 16.600 ( -0.231 0.450 0.414) 0.653 18.638 ( 2.765 -2.629 2.123) 4.366 18.638 ( 2.765 2.629 2.123) 4.366 18.680 ( -0.696 -3.619 1.127) 3.854 18.680 ( -0.696 3.619 1.127) 3.854 19.115 ( 7.925 -3.256 -2.492) 8.922 19.115 ( 7.925 3.256 -2.492) 8.922 19.240 ( -3.217 -6.137 -1.551) 7.100 19.240 ( -3.217 6.137 -1.551) 7.100 19.583 ( 7.001 -5.854 -2.196) 9.386 19.583 ( 7.001 5.854 -2.196) 9.386 19.834 ( -14.111 -3.028 -0.170) 14.434 19.834 ( -14.111 3.028 -0.170) 14.434=================== 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 3/19800 10.0 13.391 21.249 17.075 0.000 0.000 0.000 3/19800 20.0 5.234 9.842 5.319 0.000 0.000 0.000 3/19800 30.0 3.106 6.088 2.860 0.000 0.000 0.000 3/19800 40.0 2.201 4.393 1.916 0.000 0.000 0.000 3/19800 50.0 1.705 3.459 1.434 0.000 0.000 0.000 3/19800 60.0 1.393 2.873 1.146 0.000 0.000 0.000 3/19800 70.0 1.179 2.470 0.956 0.000 0.000 0.000 3/19800 80.0 1.023 2.174 0.822 0.000 0.000 0.000 3/19800 90.0 0.904 1.947 0.722 0.000 0.000 0.000 3/19800 100.0 0.811 1.766 0.644 0.000 0.000 0.000 3/19800 110.0 0.736 1.618 0.582 0.000 0.000 0.000 3/19800 120.0 0.674 1.494 0.532 0.000 0.000 0.000 3/19800 130.0 0.622 1.390 0.490 0.000 0.000 0.000 3/19800 140.0 0.579 1.300 0.455 0.000 0.000 0.000 3/19800 150.0 0.541 1.222 0.425 0.000 0.000 0.000 3/19800 160.0 0.509 1.154 0.399 0.000 0.000 0.000 3/19800 170.0 0.481 1.093 0.376 0.000 0.000 0.000 3/19800 180.0 0.456 1.039 0.356 0.000 0.000 0.000 3/19800 190.0 0.433 0.990 0.338 0.000 0.000 0.000 3/19800 200.0 0.413 0.946 0.322 0.000 0.000 0.000 3/19800 210.0 0.395 0.906 0.308 0.000 0.000 0.000 3/19800 220.0 0.379 0.870 0.295 0.000 0.000 0.000 3/19800 230.0 0.364 0.836 0.283 0.000 0.000 0.000 3/19800 240.0 0.350 0.805 0.272 0.000 0.000 0.000 3/19800 250.0 0.337 0.776 0.263 0.000 0.000 0.000 3/19800 260.0 0.326 0.749 0.253 0.000 0.000 0.000 3/19800 270.0 0.315 0.724 0.245 0.000 0.000 0.000 3/19800 280.0 0.305 0.701 0.237 0.000 0.000 0.000 3/19800 290.0 0.295 0.679 0.229 0.000 0.000 0.000 3/19800 300.0 0.286 0.659 0.222 0.000 0.000 0.000 3/19800 310.0 0.278 0.640 0.216 0.000 0.000 0.000 3/19800 320.0 0.270 0.622 0.210 0.000 0.000 0.000 3/19800 330.0 0.263 0.604 0.204 0.000 0.000 0.000 3/19800 340.0 0.256 0.588 0.198 0.000 0.000 0.000 3/19800 350.0 0.249 0.573 0.193 0.000 0.000 0.000 3/19800 360.0 0.243 0.558 0.188 0.000 0.000 0.000 3/19800 370.0 0.237 0.544 0.184 0.000 0.000 0.000 3/19800 380.0 0.231 0.531 0.179 0.000 0.000 0.000 3/19800 390.0 0.225 0.518 0.175 0.000 0.000 0.000 3/19800 400.0 0.220 0.506 0.171 0.000 0.000 0.000 3/19800 410.0 0.215 0.495 0.167 0.000 0.000 0.000 3/19800 420.0 0.210 0.484 0.163 0.000 0.000 0.000 3/19800 430.0 0.206 0.473 0.160 0.000 0.000 0.000 3/19800 440.0 0.202 0.463 0.156 0.000 0.000 0.000 3/19800 450.0 0.197 0.454 0.153 0.000 0.000 0.000 3/19800 460.0 0.193 0.444 0.150 0.000 0.000 0.000 3/19800 470.0 0.190 0.435 0.147 0.000 0.000 0.000 3/19800 480.0 0.186 0.427 0.144 0.000 0.000 0.000 3/19800 490.0 0.182 0.419 0.141 0.000 0.000 0.000 3/19800 500.0 0.179 0.411 0.139 0.000 0.000 0.000 3/19800 510.0 0.176 0.403 0.136 0.000 0.000 0.000 3/19800 520.0 0.172 0.396 0.134 0.000 0.000 0.000 3/19800 530.0 0.169 0.389 0.131 0.000 0.000 0.000 3/19800 540.0 0.166 0.382 0.129 0.000 0.000 0.000 3/19800 550.0 0.163 0.375 0.127 0.000 0.000 0.000 3/19800 560.0 0.161 0.369 0.125 0.000 0.000 0.000 3/19800 570.0 0.158 0.363 0.122 0.000 0.000 0.000 3/19800 580.0 0.155 0.357 0.120 0.000 0.000 0.000 3/19800 590.0 0.153 0.351 0.119 0.000 0.000 0.000 3/19800 600.0 0.150 0.345 0.117 0.000 0.000 0.000 3/19800 610.0 0.148 0.340 0.115 0.000 0.000 0.000 3/19800 620.0 0.146 0.334 0.113 0.000 0.000 0.000 3/19800 630.0 0.144 0.329 0.111 0.000 0.000 0.000 3/19800 640.0 0.141 0.324 0.110 0.000 0.000 0.000 3/19800 650.0 0.139 0.320 0.108 0.000 0.000 0.000 3/19800 660.0 0.137 0.315 0.106 0.000 0.000 0.000 3/19800 670.0 0.135 0.310 0.105 0.000 0.000 0.000 3/19800 680.0 0.133 0.306 0.103 0.000 0.000 0.000 3/19800 690.0 0.132 0.302 0.102 0.000 0.000 0.000 3/19800 700.0 0.130 0.297 0.101 0.000 0.000 0.000 3/19800 710.0 0.128 0.293 0.099 0.000 0.000 0.000 3/19800 720.0 0.126 0.289 0.098 0.000 0.000 0.000 3/19800 730.0 0.125 0.286 0.097 0.000 0.000 0.000 3/19800 740.0 0.123 0.282 0.095 0.000 0.000 0.000 3/19800 750.0 0.121 0.278 0.094 0.000 0.000 0.000 3/19800 760.0 0.120 0.275 0.093 0.000 0.000 0.000 3/19800 770.0 0.118 0.271 0.092 0.000 0.000 0.000 3/19800 780.0 0.117 0.268 0.091 0.000 0.000 0.000 3/19800 790.0 0.115 0.264 0.089 0.000 0.000 0.000 3/19800 800.0 0.114 0.261 0.088 0.000 0.000 0.000 3/19800 810.0 0.113 0.258 0.087 0.000 0.000 0.000 3/19800 820.0 0.111 0.255 0.086 0.000 0.000 0.000 3/19800 830.0 0.110 0.252 0.085 0.000 0.000 0.000 3/19800 840.0 0.109 0.249 0.084 0.000 0.000 0.000 3/19800 850.0 0.108 0.246 0.083 0.000 0.000 0.000 3/19800 860.0 0.106 0.243 0.082 0.000 0.000 0.000 3/19800 870.0 0.105 0.241 0.081 0.000 0.000 0.000 3/19800 880.0 0.104 0.238 0.081 0.000 0.000 0.000 3/19800 890.0 0.103 0.235 0.080 0.000 0.000 0.000 3/19800 900.0 0.102 0.233 0.079 0.000 0.000 0.000 3/19800 910.0 0.101 0.230 0.078 0.000 0.000 0.000 3/19800 920.0 0.100 0.228 0.077 0.000 0.000 0.000 3/19800 930.0 0.098 0.225 0.076 0.000 0.000 0.000 3/19800 940.0 0.097 0.223 0.076 0.000 0.000 0.000 3/19800 950.0 0.096 0.221 0.075 0.000 0.000 0.000 3/19800 960.0 0.095 0.219 0.074 0.000 0.000 0.000 3/19800 970.0 0.094 0.216 0.073 0.000 0.000 0.000 3/19800 980.0 0.094 0.214 0.073 0.000 0.000 0.000 3/19800 990.0 0.093 0.212 0.072 0.000 0.000 0.000 3/19800 1000.0 0.092 0.210 0.071 0.000 0.000 0.000 3/19800Thermal conductivity related properties were written into "kappa-m565.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 00:22:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|