----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:21:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.470353299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.198024950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.866040130000000 Atomic positions (fractional): *1 Li 0.12516300779580 0.14606011027873 0.99282563790242 6.941 *2 Li 0.89558198776204 0.45270308958779 0.00482583659310 6.941 3 Li 0.62516300779580 0.35393988972127 0.99282563790242 6.941 4 Li 0.10441801223796 0.54729691041221 0.50482583659309 6.941 *5 Li 0.85384451180664 0.04766125863252 0.99795748474557 6.941 6 Li 0.14615548819336 0.95233874136748 0.49795748474557 6.941 7 Li 0.87483699220420 0.85393988972127 0.49282563790242 6.941 8 Li 0.37483699220420 0.64606011027873 0.49282563790242 6.941 9 Li 0.60441801223796 0.95270308958779 0.50482583659309 6.941 10 Li 0.64615548819336 0.54766125863252 0.49795748474557 6.941 11 Li 0.39558198776204 0.04729691041221 0.00482583659310 6.941 12 Li 0.35384451180664 0.45233874136748 0.99795748474557 6.941 *13 Al 0.12855384525832 0.76012566730468 0.00013856868587 26.982 14 Al 0.87144615474168 0.23987433269532 0.50013856868587 26.982 15 Al 0.37144615474168 0.26012566730468 0.50013856868587 26.982 16 Al 0.62855384525832 0.73987433269532 0.00013856868587 26.982 *17 F 0.73715147701242 0.73328956167406 0.30518586087049 18.998 *18 F 0.77495529372195 0.06518688284871 0.36053000106657 18.998 *19 F 0.52437231872978 0.74293187927849 0.68814936940277 18.998 *20 F 0.97159070463822 0.40330429547389 0.64878727640374 18.998 21 F 0.02840929536178 0.59669570452611 0.14878727640374 18.998 *22 F 0.24614654957762 0.61803873372475 0.82527396298526 18.998 23 F 0.02437231872978 0.75706812072151 0.68814936940277 18.998 24 F 0.47159070463822 0.09669570452612 0.64878727640374 18.998 25 F 0.47562768127022 0.25706812072151 0.18814936940277 18.998 26 F 0.75385345042238 0.38196126627525 0.32527396298526 18.998 *27 F 0.01246559571242 0.91034526719944 0.16915604134422 18.998 28 F 0.52840929536178 0.90330429547389 0.14878727640374 18.998 29 F 0.51246559571242 0.58965473280056 0.16915604134422 18.998 30 F 0.27495529372194 0.43481311715129 0.36053000106657 18.998 31 F 0.23715147701242 0.76671043832594 0.30518586087049 18.998 32 F 0.22504470627806 0.93481311715129 0.86053000106657 18.998 33 F 0.48753440428758 0.41034526719944 0.66915604134422 18.998 34 F 0.25385345042238 0.11803873372475 0.32527396298526 18.998 35 F 0.72504470627805 0.56518688284871 0.86053000106657 18.998 36 F 0.97562768127022 0.24293187927849 0.18814936940277 18.998 37 F 0.26284852298758 0.26671043832594 0.80518586087049 18.998 38 F 0.98753440428758 0.08965473280056 0.66915604134422 18.998 39 F 0.76284852298758 0.23328956167406 0.80518586087049 18.998 40 F 0.74614654957762 0.88196126627525 0.82527396298526 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.470353299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.198024950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.866040130000000 Atomic positions (fractional): *1 Li 0.12516300779580 0.14606011027873 0.99282563790242 6.941 > 1 *2 Li 0.89558198776204 0.45270308958779 0.00482583659310 6.941 > 2 3 Li 0.62516300779580 0.35393988972127 0.99282563790242 6.941 > 3 4 Li 0.10441801223796 0.54729691041221 0.50482583659309 6.941 > 4 *5 Li 0.85384451180664 0.04766125863252 0.99795748474557 6.941 > 5 6 Li 0.14615548819336 0.95233874136748 0.49795748474557 6.941 > 6 7 Li 0.87483699220420 0.85393988972127 0.49282563790242 6.941 > 7 8 Li 0.37483699220420 0.64606011027873 0.49282563790242 6.941 > 8 9 Li 0.60441801223796 0.95270308958779 0.50482583659309 6.941 > 9 10 Li 0.64615548819336 0.54766125863252 0.49795748474557 6.941 > 10 11 Li 0.39558198776204 0.04729691041221 0.00482583659310 6.941 > 11 12 Li 0.35384451180664 0.45233874136748 0.99795748474557 6.941 > 12 *13 Al 0.12855384525832 0.76012566730468 0.00013856868587 26.982 > 13 14 Al 0.87144615474168 0.23987433269532 0.50013856868587 26.982 > 14 15 Al 0.37144615474168 0.26012566730468 0.50013856868587 26.982 > 15 16 Al 0.62855384525832 0.73987433269532 0.00013856868587 26.982 > 16 *17 F 0.73715147701242 0.73328956167406 0.30518586087049 18.998 > 17 *18 F 0.77495529372195 0.06518688284871 0.36053000106657 18.998 > 18 *19 F 0.52437231872978 0.74293187927849 0.68814936940277 18.998 > 19 *20 F 0.97159070463822 0.40330429547389 0.64878727640374 18.998 > 20 21 F 0.02840929536178 0.59669570452611 0.14878727640374 18.998 > 21 *22 F 0.24614654957762 0.61803873372475 0.82527396298526 18.998 > 22 23 F 0.02437231872978 0.75706812072151 0.68814936940277 18.998 > 23 24 F 0.47159070463822 0.09669570452612 0.64878727640374 18.998 > 24 25 F 0.47562768127022 0.25706812072151 0.18814936940277 18.998 > 25 26 F 0.75385345042238 0.38196126627525 0.32527396298526 18.998 > 26 *27 F 0.01246559571242 0.91034526719944 0.16915604134422 18.998 > 27 28 F 0.52840929536178 0.90330429547389 0.14878727640374 18.998 > 28 29 F 0.51246559571242 0.58965473280056 0.16915604134422 18.998 > 29 30 F 0.27495529372194 0.43481311715129 0.36053000106657 18.998 > 30 31 F 0.23715147701242 0.76671043832594 0.30518586087049 18.998 > 31 32 F 0.22504470627806 0.93481311715129 0.86053000106657 18.998 > 32 33 F 0.48753440428758 0.41034526719944 0.66915604134422 18.998 > 33 34 F 0.25385345042238 0.11803873372475 0.32527396298526 18.998 > 34 35 F 0.72504470627805 0.56518688284871 0.86053000106657 18.998 > 35 36 F 0.97562768127022 0.24293187927849 0.18814936940277 18.998 > 36 37 F 0.26284852298758 0.26671043832594 0.80518586087049 18.998 > 37 38 F 0.98753440428758 0.08965473280056 0.66915604134422 18.998 > 38 39 F 0.76284852298758 0.23328956167406 0.80518586087049 18.998 > 39 40 F 0.74614654957762 0.88196126627525 0.82527396298526 18.998 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.470353299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.198024950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.732080260000000 Atomic positions (fractional): *1 Li 0.12516300779580 0.14606011027873 0.49641281895121 6.941 > 1 2 Li 0.12516300779580 0.14606011027873 0.99641281895121 6.941 > 1 *3 Li 0.89558198776204 0.45270308958779 0.00241291829655 6.941 > 2 4 Li 0.89558198776204 0.45270308958779 0.50241291829655 6.941 > 2 5 Li 0.62516300779580 0.35393988972127 0.49641281895121 6.941 > 3 6 Li 0.62516300779580 0.35393988972127 0.99641281895121 6.941 > 3 7 Li 0.10441801223796 0.54729691041221 0.25241291829655 6.941 > 4 8 Li 0.10441801223796 0.54729691041221 0.75241291829655 6.941 > 4 *9 Li 0.85384451180664 0.04766125863252 0.49897874237278 6.941 > 5 10 Li 0.85384451180664 0.04766125863252 0.99897874237278 6.941 > 5 11 Li 0.14615548819336 0.95233874136748 0.24897874237278 6.941 > 6 12 Li 0.14615548819336 0.95233874136748 0.74897874237278 6.941 > 6 13 Li 0.87483699220420 0.85393988972127 0.24641281895121 6.941 > 7 14 Li 0.87483699220420 0.85393988972127 0.74641281895121 6.941 > 7 15 Li 0.37483699220420 0.64606011027873 0.24641281895121 6.941 > 8 16 Li 0.37483699220420 0.64606011027873 0.74641281895121 6.941 > 8 17 Li 0.60441801223796 0.95270308958779 0.25241291829655 6.941 > 9 18 Li 0.60441801223796 0.95270308958779 0.75241291829655 6.941 > 9 19 Li 0.64615548819336 0.54766125863252 0.24897874237278 6.941 > 10 20 Li 0.64615548819336 0.54766125863252 0.74897874237278 6.941 > 10 21 Li 0.39558198776204 0.04729691041221 0.00241291829655 6.941 > 11 22 Li 0.39558198776204 0.04729691041221 0.50241291829655 6.941 > 11 23 Li 0.35384451180664 0.45233874136748 0.49897874237278 6.941 > 12 24 Li 0.35384451180664 0.45233874136748 0.99897874237278 6.941 > 12 *25 Al 0.12855384525832 0.76012566730468 0.00006928434294 26.982 > 13 26 Al 0.12855384525832 0.76012566730468 0.50006928434293 26.982 > 13 27 Al 0.87144615474168 0.23987433269532 0.25006928434294 26.982 > 14 28 Al 0.87144615474168 0.23987433269532 0.75006928434294 26.982 > 14 29 Al 0.37144615474168 0.26012566730468 0.25006928434294 26.982 > 15 30 Al 0.37144615474168 0.26012566730468 0.75006928434294 26.982 > 15 31 Al 0.62855384525832 0.73987433269532 0.00006928434294 26.982 > 16 32 Al 0.62855384525832 0.73987433269532 0.50006928434293 26.982 > 16 *33 F 0.73715147701242 0.73328956167406 0.15259293043525 18.998 > 17 34 F 0.73715147701242 0.73328956167406 0.65259293043525 18.998 > 17 *35 F 0.77495529372195 0.06518688284871 0.18026500053328 18.998 > 18 36 F 0.77495529372195 0.06518688284871 0.68026500053328 18.998 > 18 *37 F 0.52437231872978 0.74293187927849 0.34407468470139 18.998 > 19 38 F 0.52437231872978 0.74293187927849 0.84407468470139 18.998 > 19 *39 F 0.97159070463822 0.40330429547389 0.32439363820187 18.998 > 20 40 F 0.97159070463822 0.40330429547389 0.82439363820187 18.998 > 20 41 F 0.02840929536178 0.59669570452611 0.07439363820187 18.998 > 21 42 F 0.02840929536178 0.59669570452611 0.57439363820187 18.998 > 21 *43 F 0.24614654957762 0.61803873372475 0.41263698149263 18.998 > 22 44 F 0.24614654957762 0.61803873372475 0.91263698149263 18.998 > 22 45 F 0.02437231872978 0.75706812072151 0.34407468470139 18.998 > 23 46 F 0.02437231872978 0.75706812072151 0.84407468470139 18.998 > 23 47 F 0.47159070463822 0.09669570452612 0.32439363820187 18.998 > 24 48 F 0.47159070463822 0.09669570452612 0.82439363820187 18.998 > 24 49 F 0.47562768127022 0.25706812072151 0.09407468470139 18.998 > 25 50 F 0.47562768127022 0.25706812072151 0.59407468470139 18.998 > 25 51 F 0.75385345042238 0.38196126627525 0.16263698149263 18.998 > 26 52 F 0.75385345042238 0.38196126627525 0.66263698149263 18.998 > 26 *53 F 0.01246559571242 0.91034526719944 0.08457802067211 18.998 > 27 54 F 0.01246559571242 0.91034526719944 0.58457802067211 18.998 > 27 55 F 0.52840929536178 0.90330429547389 0.07439363820187 18.998 > 28 56 F 0.52840929536178 0.90330429547389 0.57439363820187 18.998 > 28 57 F 0.51246559571242 0.58965473280056 0.08457802067211 18.998 > 29 58 F 0.51246559571242 0.58965473280056 0.58457802067211 18.998 > 29 59 F 0.27495529372194 0.43481311715129 0.18026500053328 18.998 > 30 60 F 0.27495529372194 0.43481311715129 0.68026500053328 18.998 > 30 61 F 0.23715147701242 0.76671043832594 0.15259293043525 18.998 > 31 62 F 0.23715147701242 0.76671043832594 0.65259293043525 18.998 > 31 63 F 0.22504470627806 0.93481311715129 0.43026500053328 18.998 > 32 64 F 0.22504470627806 0.93481311715129 0.93026500053328 18.998 > 32 65 F 0.48753440428758 0.41034526719944 0.33457802067211 18.998 > 33 66 F 0.48753440428758 0.41034526719944 0.83457802067211 18.998 > 33 67 F 0.25385345042238 0.11803873372475 0.16263698149263 18.998 > 34 68 F 0.25385345042238 0.11803873372475 0.66263698149263 18.998 > 34 69 F 0.72504470627805 0.56518688284871 0.43026500053328 18.998 > 35 70 F 0.72504470627805 0.56518688284871 0.93026500053328 18.998 > 35 71 F 0.97562768127022 0.24293187927849 0.09407468470139 18.998 > 36 72 F 0.97562768127022 0.24293187927849 0.59407468470139 18.998 > 36 73 F 0.26284852298758 0.26671043832594 0.40259293043525 18.998 > 37 74 F 0.26284852298758 0.26671043832594 0.90259293043525 18.998 > 37 75 F 0.98753440428758 0.08965473280056 0.33457802067211 18.998 > 38 76 F 0.98753440428758 0.08965473280056 0.83457802067211 18.998 > 38 77 F 0.76284852298758 0.23328956167406 0.40259293043525 18.998 > 39 78 F 0.76284852298758 0.23328956167406 0.90259293043525 18.998 > 39 79 F 0.74614654957762 0.88196126627525 0.41263698149263 18.998 > 40 80 F 0.74614654957762 0.88196126627525 0.91263698149263 18.998 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9923787 0.0000000 0.0000000 0.0000000 2.0125345 0.0000000 0.0000000 0.0000000 2.0224141 -------------------------- Born effective charges -------------------------- 1 Li 1.1254549 0.0133433 0.0127776 0.0091700 1.0268688 0.0076928 -0.0124879 -0.0040949 1.0849763 2 Li 1.0561659 0.0196148 0.0238510 0.0118694 1.0902552 0.0028182 -0.0045495 -0.0082640 1.0674875 3 Li 1.1254549 -0.0133433 0.0127776 -0.0091700 1.0268688 -0.0076928 -0.0124879 0.0040949 1.0849763 4 Li 1.0561659 0.0196148 -0.0238510 0.0118694 1.0902552 -0.0028182 0.0045495 0.0082640 1.0674875 5 Li 0.9959407 0.0148066 0.0348052 0.0078720 1.0633389 -0.0026630 0.0101567 -0.0084264 1.1007778 6 Li 0.9959407 0.0148066 -0.0348052 0.0078720 1.0633389 0.0026630 -0.0101567 0.0084264 1.1007778 7 Li 1.1254549 0.0133433 -0.0127776 0.0091700 1.0268688 -0.0076928 0.0124879 0.0040949 1.0849763 8 Li 1.1254549 -0.0133433 -0.0127776 -0.0091700 1.0268688 0.0076928 0.0124879 -0.0040949 1.0849763 9 Li 1.0561659 -0.0196148 -0.0238510 -0.0118694 1.0902552 0.0028182 0.0045495 -0.0082640 1.0674875 10 Li 0.9959407 -0.0148066 -0.0348052 -0.0078720 1.0633389 -0.0026630 -0.0101567 -0.0084264 1.1007778 11 Li 1.0561659 -0.0196148 0.0238510 -0.0118694 1.0902552 -0.0028182 -0.0045495 0.0082640 1.0674875 12 Li 0.9959407 -0.0148066 0.0348052 -0.0078720 1.0633389 0.0026630 0.0101567 0.0084264 1.1007778 13 Al 2.6291886 -0.0546411 -0.0194061 -0.0592701 2.7703554 -0.0094285 -0.0084678 0.0317239 2.8140158 14 Al 2.6291886 -0.0546411 0.0194061 -0.0592701 2.7703554 0.0094285 0.0084678 -0.0317239 2.8140158 15 Al 2.6291886 0.0546411 0.0194061 0.0592701 2.7703554 -0.0094285 0.0084678 0.0317239 2.8140158 16 Al 2.6291886 0.0546411 -0.0194061 0.0592701 2.7703554 0.0094285 -0.0084678 -0.0317239 2.8140158 17 F -0.9576953 -0.0764856 -0.1673602 -0.0808407 -0.9063414 -0.0242988 -0.1639943 -0.0154291 -1.0966312 18 F -0.9342466 -0.1598007 -0.0081420 -0.1616541 -1.1009915 -0.0706184 -0.0174083 -0.0748564 -0.9292800 19 F -0.9514332 -0.0561588 -0.1696216 -0.0451471 -0.9031365 -0.0226088 -0.1680943 -0.0205892 -1.1149175 20 F -0.9370331 -0.2102053 -0.0102905 -0.2067975 -1.0466095 -0.1024148 -0.0151309 -0.1036547 -0.9356902 21 F -0.9370331 -0.2102053 0.0102905 -0.2067975 -1.0466095 0.1024148 0.0151309 0.1036547 -0.9356902 22 F -1.0044337 0.2228228 0.1014757 0.2253637 -0.9805877 -0.1068187 0.0911396 -0.1032022 -0.9963024 23 F -0.9514332 0.0561588 -0.1696216 0.0451471 -0.9031365 0.0226088 -0.1680943 0.0205892 -1.1149175 24 F -0.9370331 0.2102053 -0.0102905 0.2067975 -1.0466095 0.1024148 -0.0151309 0.1036547 -0.9356902 25 F -0.9514332 -0.0561588 0.1696216 -0.0451471 -0.9031365 0.0226088 0.1680943 0.0205892 -1.1149175 26 F -1.0044337 0.2228228 -0.1014757 0.2253637 -0.9805877 0.1068187 -0.0911396 0.1032022 -0.9963024 27 F -1.0219084 0.1725516 0.0941252 0.1747493 -1.0131517 -0.0700591 0.0942185 -0.0739727 -0.9944362 28 F -0.9370331 0.2102053 0.0102905 0.2067975 -1.0466095 -0.1024148 0.0151309 -0.1036547 -0.9356902 29 F -1.0219084 -0.1725516 0.0941252 -0.1747493 -1.0131517 0.0700591 0.0942185 0.0739727 -0.9944362 30 F -0.9342466 0.1598007 -0.0081420 0.1616541 -1.1009915 0.0706184 -0.0174083 0.0748564 -0.9292800 31 F -0.9576953 0.0764856 -0.1673602 0.0808407 -0.9063414 0.0242988 -0.1639943 0.0154291 -1.0966312 32 F -0.9342466 -0.1598007 0.0081420 -0.1616541 -1.1009915 0.0706184 0.0174083 0.0748564 -0.9292800 33 F -1.0219084 -0.1725516 -0.0941252 -0.1747493 -1.0131517 -0.0700591 -0.0942185 -0.0739727 -0.9944362 34 F -1.0044337 -0.2228228 -0.1014757 -0.2253637 -0.9805877 -0.1068187 -0.0911396 -0.1032022 -0.9963024 35 F -0.9342466 0.1598007 0.0081420 0.1616541 -1.1009915 -0.0706184 0.0174083 -0.0748564 -0.9292800 36 F -0.9514332 0.0561588 0.1696216 0.0451471 -0.9031365 -0.0226088 0.1680943 -0.0205892 -1.1149175 37 F -0.9576953 -0.0764856 0.1673602 -0.0808407 -0.9063414 0.0242988 0.1639943 0.0154291 -1.0966312 38 F -1.0219084 0.1725516 -0.0941252 0.1747493 -1.0131517 0.0700591 -0.0942185 0.0739727 -0.9944362 39 F -0.9576953 0.0764856 0.1673602 0.0808407 -0.9063414 -0.0242988 0.1639943 -0.0154291 -1.0966312 40 F -1.0044337 -0.2228228 0.1014757 -0.2253637 -0.9805877 0.1068187 0.0911396 0.1032022 -0.9963024 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3660 Number of blocks in projector: 3660 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3660, 3570), data: False |-- (420, 410), data: True |-- (420, 410), data: True |-- (420, 410), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 1200 - Time: 2.308 Solver_block: 200 / 1200 - Time: 2.580 Solver_block: 300 / 1200 - Time: 1.933 Solver_block: 400 / 1200 - Time: 1.655 Solver_block: 500 / 1200 - Time: 1.808 Solver_block: 600 / 1200 - Time: 1.198 Solver_block: 700 / 1200 - Time: 1.684 Solver_block: 800 / 1200 - Time: 2.226 Solver_block: 900 / 1200 - Time: 1.005 Solver_block: 1000 / 1200 - Time: 1.018 Solver_block: 1100 / 1200 - Time: 0.653 Solver_block: 1200 / 1200 - Time: 1.054 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.590 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3660 Number of blocks in projector: 3660 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3660, 3570), data: False |-- (420, 410), data: True |-- (420, 410), data: True |-- (420, 410), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:23:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:23:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.470353299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.198024950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.866040130000000 Atomic positions (fractional): 1 Li 0.12516300779580 0.14606011027873 0.99282563790242 6.941 2 Li 0.89558198776204 0.45270308958779 0.00482583659310 6.941 3 Li 0.62516300779580 0.35393988972127 0.99282563790242 6.941 4 Li 0.10441801223796 0.54729691041221 0.50482583659309 6.941 5 Li 0.85384451180664 0.04766125863252 0.99795748474557 6.941 6 Li 0.14615548819336 0.95233874136748 0.49795748474557 6.941 7 Li 0.87483699220420 0.85393988972127 0.49282563790242 6.941 8 Li 0.37483699220420 0.64606011027873 0.49282563790242 6.941 9 Li 0.60441801223796 0.95270308958779 0.50482583659309 6.941 10 Li 0.64615548819336 0.54766125863252 0.49795748474557 6.941 11 Li 0.39558198776204 0.04729691041221 0.00482583659310 6.941 12 Li 0.35384451180664 0.45233874136748 0.99795748474557 6.941 13 Al 0.12855384525832 0.76012566730468 0.00013856868587 26.982 14 Al 0.87144615474168 0.23987433269532 0.50013856868587 26.982 15 Al 0.37144615474168 0.26012566730468 0.50013856868587 26.982 16 Al 0.62855384525832 0.73987433269532 0.00013856868587 26.982 17 F 0.73715147701242 0.73328956167406 0.30518586087049 18.998 18 F 0.77495529372195 0.06518688284871 0.36053000106657 18.998 19 F 0.52437231872978 0.74293187927849 0.68814936940277 18.998 20 F 0.97159070463822 0.40330429547389 0.64878727640374 18.998 21 F 0.02840929536178 0.59669570452611 0.14878727640374 18.998 22 F 0.24614654957762 0.61803873372475 0.82527396298526 18.998 23 F 0.02437231872978 0.75706812072151 0.68814936940277 18.998 24 F 0.47159070463822 0.09669570452612 0.64878727640374 18.998 25 F 0.47562768127022 0.25706812072151 0.18814936940277 18.998 26 F 0.75385345042238 0.38196126627525 0.32527396298526 18.998 27 F 0.01246559571242 0.91034526719944 0.16915604134422 18.998 28 F 0.52840929536178 0.90330429547389 0.14878727640374 18.998 29 F 0.51246559571242 0.58965473280056 0.16915604134422 18.998 30 F 0.27495529372194 0.43481311715129 0.36053000106657 18.998 31 F 0.23715147701242 0.76671043832594 0.30518586087049 18.998 32 F 0.22504470627806 0.93481311715129 0.86053000106657 18.998 33 F 0.48753440428758 0.41034526719944 0.66915604134422 18.998 34 F 0.25385345042238 0.11803873372475 0.32527396298526 18.998 35 F 0.72504470627805 0.56518688284871 0.86053000106657 18.998 36 F 0.97562768127022 0.24293187927849 0.18814936940277 18.998 37 F 0.26284852298758 0.26671043832594 0.80518586087049 18.998 38 F 0.98753440428758 0.08965473280056 0.66915604134422 18.998 39 F 0.76284852298758 0.23328956167406 0.80518586087049 18.998 40 F 0.74614654957762 0.88196126627525 0.82527396298526 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.470353299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.198024950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.732080260000000 Atomic positions (fractional): 1 Li 0.12516300779580 0.14606011027873 0.49641281895121 6.941 > 1 2 Li 0.12516300779580 0.14606011027873 0.99641281895121 6.941 > 1 3 Li 0.89558198776204 0.45270308958779 0.00241291829655 6.941 > 3 4 Li 0.89558198776204 0.45270308958779 0.50241291829655 6.941 > 3 5 Li 0.62516300779580 0.35393988972127 0.49641281895121 6.941 > 5 6 Li 0.62516300779580 0.35393988972127 0.99641281895121 6.941 > 5 7 Li 0.10441801223796 0.54729691041221 0.25241291829655 6.941 > 7 8 Li 0.10441801223796 0.54729691041221 0.75241291829655 6.941 > 7 9 Li 0.85384451180664 0.04766125863252 0.49897874237278 6.941 > 9 10 Li 0.85384451180664 0.04766125863252 0.99897874237278 6.941 > 9 11 Li 0.14615548819336 0.95233874136748 0.24897874237278 6.941 > 11 12 Li 0.14615548819336 0.95233874136748 0.74897874237278 6.941 > 11 13 Li 0.87483699220420 0.85393988972127 0.24641281895121 6.941 > 13 14 Li 0.87483699220420 0.85393988972127 0.74641281895121 6.941 > 13 15 Li 0.37483699220420 0.64606011027873 0.24641281895121 6.941 > 15 16 Li 0.37483699220420 0.64606011027873 0.74641281895121 6.941 > 15 17 Li 0.60441801223796 0.95270308958779 0.25241291829655 6.941 > 17 18 Li 0.60441801223796 0.95270308958779 0.75241291829655 6.941 > 17 19 Li 0.64615548819336 0.54766125863252 0.24897874237278 6.941 > 19 20 Li 0.64615548819336 0.54766125863252 0.74897874237278 6.941 > 19 21 Li 0.39558198776204 0.04729691041221 0.00241291829655 6.941 > 21 22 Li 0.39558198776204 0.04729691041221 0.50241291829655 6.941 > 21 23 Li 0.35384451180664 0.45233874136748 0.49897874237278 6.941 > 23 24 Li 0.35384451180664 0.45233874136748 0.99897874237278 6.941 > 23 25 Al 0.12855384525832 0.76012566730468 0.00006928434294 26.982 > 25 26 Al 0.12855384525832 0.76012566730468 0.50006928434293 26.982 > 25 27 Al 0.87144615474168 0.23987433269532 0.25006928434294 26.982 > 27 28 Al 0.87144615474168 0.23987433269532 0.75006928434294 26.982 > 27 29 Al 0.37144615474168 0.26012566730468 0.25006928434294 26.982 > 29 30 Al 0.37144615474168 0.26012566730468 0.75006928434294 26.982 > 29 31 Al 0.62855384525832 0.73987433269532 0.00006928434294 26.982 > 31 32 Al 0.62855384525832 0.73987433269532 0.50006928434293 26.982 > 31 33 F 0.73715147701242 0.73328956167406 0.15259293043525 18.998 > 33 34 F 0.73715147701242 0.73328956167406 0.65259293043525 18.998 > 33 35 F 0.77495529372195 0.06518688284871 0.18026500053328 18.998 > 35 36 F 0.77495529372195 0.06518688284871 0.68026500053328 18.998 > 35 37 F 0.52437231872978 0.74293187927849 0.34407468470139 18.998 > 37 38 F 0.52437231872978 0.74293187927849 0.84407468470139 18.998 > 37 39 F 0.97159070463822 0.40330429547389 0.32439363820187 18.998 > 39 40 F 0.97159070463822 0.40330429547389 0.82439363820187 18.998 > 39 41 F 0.02840929536178 0.59669570452611 0.07439363820187 18.998 > 41 42 F 0.02840929536178 0.59669570452611 0.57439363820187 18.998 > 41 43 F 0.24614654957762 0.61803873372475 0.41263698149263 18.998 > 43 44 F 0.24614654957762 0.61803873372475 0.91263698149263 18.998 > 43 45 F 0.02437231872978 0.75706812072151 0.34407468470139 18.998 > 45 46 F 0.02437231872978 0.75706812072151 0.84407468470139 18.998 > 45 47 F 0.47159070463822 0.09669570452612 0.32439363820187 18.998 > 47 48 F 0.47159070463822 0.09669570452612 0.82439363820187 18.998 > 47 49 F 0.47562768127022 0.25706812072151 0.09407468470139 18.998 > 49 50 F 0.47562768127022 0.25706812072151 0.59407468470139 18.998 > 49 51 F 0.75385345042238 0.38196126627525 0.16263698149263 18.998 > 51 52 F 0.75385345042238 0.38196126627525 0.66263698149263 18.998 > 51 53 F 0.01246559571242 0.91034526719944 0.08457802067211 18.998 > 53 54 F 0.01246559571242 0.91034526719944 0.58457802067211 18.998 > 53 55 F 0.52840929536178 0.90330429547389 0.07439363820187 18.998 > 55 56 F 0.52840929536178 0.90330429547389 0.57439363820187 18.998 > 55 57 F 0.51246559571242 0.58965473280056 0.08457802067211 18.998 > 57 58 F 0.51246559571242 0.58965473280056 0.58457802067211 18.998 > 57 59 F 0.27495529372194 0.43481311715129 0.18026500053328 18.998 > 59 60 F 0.27495529372194 0.43481311715129 0.68026500053328 18.998 > 59 61 F 0.23715147701242 0.76671043832594 0.15259293043525 18.998 > 61 62 F 0.23715147701242 0.76671043832594 0.65259293043525 18.998 > 61 63 F 0.22504470627806 0.93481311715129 0.43026500053328 18.998 > 63 64 F 0.22504470627806 0.93481311715129 0.93026500053328 18.998 > 63 65 F 0.48753440428758 0.41034526719944 0.33457802067211 18.998 > 65 66 F 0.48753440428758 0.41034526719944 0.83457802067211 18.998 > 65 67 F 0.25385345042238 0.11803873372475 0.16263698149263 18.998 > 67 68 F 0.25385345042238 0.11803873372475 0.66263698149263 18.998 > 67 69 F 0.72504470627805 0.56518688284871 0.43026500053328 18.998 > 69 70 F 0.72504470627805 0.56518688284871 0.93026500053328 18.998 > 69 71 F 0.97562768127022 0.24293187927849 0.09407468470139 18.998 > 71 72 F 0.97562768127022 0.24293187927849 0.59407468470139 18.998 > 71 73 F 0.26284852298758 0.26671043832594 0.40259293043525 18.998 > 73 74 F 0.26284852298758 0.26671043832594 0.90259293043525 18.998 > 73 75 F 0.98753440428758 0.08965473280056 0.33457802067211 18.998 > 75 76 F 0.98753440428758 0.08965473280056 0.83457802067211 18.998 > 75 77 F 0.76284852298758 0.23328956167406 0.40259293043525 18.998 > 77 78 F 0.76284852298758 0.23328956167406 0.90259293043525 18.998 > 77 79 F 0.74614654957762 0.88196126627525 0.41263698149263 18.998 > 79 80 F 0.74614654957762 0.88196126627525 0.91263698149263 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9923787 0.0000000 0.0000000 0.0000000 2.0125345 0.0000000 0.0000000 0.0000000 2.0224141 -------------------------- Born effective charges -------------------------- 1 Li 1.1254549 0.0133433 0.0127776 0.0091700 1.0268688 0.0076928 -0.0124879 -0.0040949 1.0849763 2 Li 1.0561659 0.0196148 0.0238510 0.0118694 1.0902552 0.0028182 -0.0045495 -0.0082640 1.0674875 3 Li 1.1254549 -0.0133433 0.0127776 -0.0091700 1.0268688 -0.0076928 -0.0124879 0.0040949 1.0849763 4 Li 1.0561659 0.0196148 -0.0238510 0.0118694 1.0902552 -0.0028182 0.0045495 0.0082640 1.0674875 5 Li 0.9959407 0.0148066 0.0348052 0.0078720 1.0633389 -0.0026630 0.0101567 -0.0084264 1.1007778 6 Li 0.9959407 0.0148066 -0.0348052 0.0078720 1.0633389 0.0026630 -0.0101567 0.0084264 1.1007778 7 Li 1.1254549 0.0133433 -0.0127776 0.0091700 1.0268688 -0.0076928 0.0124879 0.0040949 1.0849763 8 Li 1.1254549 -0.0133433 -0.0127776 -0.0091700 1.0268688 0.0076928 0.0124879 -0.0040949 1.0849763 9 Li 1.0561659 -0.0196148 -0.0238510 -0.0118694 1.0902552 0.0028182 0.0045495 -0.0082640 1.0674875 10 Li 0.9959407 -0.0148066 -0.0348052 -0.0078720 1.0633389 -0.0026630 -0.0101567 -0.0084264 1.1007778 11 Li 1.0561659 -0.0196148 0.0238510 -0.0118694 1.0902552 -0.0028182 -0.0045495 0.0082640 1.0674875 12 Li 0.9959407 -0.0148066 0.0348052 -0.0078720 1.0633389 0.0026630 0.0101567 0.0084264 1.1007778 13 Al 2.6291886 -0.0546411 -0.0194061 -0.0592701 2.7703554 -0.0094285 -0.0084678 0.0317239 2.8140158 14 Al 2.6291886 -0.0546411 0.0194061 -0.0592701 2.7703554 0.0094285 0.0084678 -0.0317239 2.8140158 15 Al 2.6291886 0.0546411 0.0194061 0.0592701 2.7703554 -0.0094285 0.0084678 0.0317239 2.8140158 16 Al 2.6291886 0.0546411 -0.0194061 0.0592701 2.7703554 0.0094285 -0.0084678 -0.0317239 2.8140158 17 F -0.9576953 -0.0764856 -0.1673602 -0.0808407 -0.9063414 -0.0242988 -0.1639943 -0.0154291 -1.0966312 18 F -0.9342466 -0.1598007 -0.0081420 -0.1616541 -1.1009915 -0.0706184 -0.0174083 -0.0748564 -0.9292800 19 F -0.9514332 -0.0561588 -0.1696216 -0.0451471 -0.9031365 -0.0226088 -0.1680943 -0.0205892 -1.1149175 20 F -0.9370331 -0.2102053 -0.0102905 -0.2067975 -1.0466095 -0.1024148 -0.0151309 -0.1036547 -0.9356902 21 F -0.9370331 -0.2102053 0.0102905 -0.2067975 -1.0466095 0.1024148 0.0151309 0.1036547 -0.9356902 22 F -1.0044337 0.2228228 0.1014757 0.2253637 -0.9805877 -0.1068187 0.0911396 -0.1032022 -0.9963024 23 F -0.9514332 0.0561588 -0.1696216 0.0451471 -0.9031365 0.0226088 -0.1680943 0.0205892 -1.1149175 24 F -0.9370331 0.2102053 -0.0102905 0.2067975 -1.0466095 0.1024148 -0.0151309 0.1036547 -0.9356902 25 F -0.9514332 -0.0561588 0.1696216 -0.0451471 -0.9031365 0.0226088 0.1680943 0.0205892 -1.1149175 26 F -1.0044337 0.2228228 -0.1014757 0.2253637 -0.9805877 0.1068187 -0.0911396 0.1032022 -0.9963024 27 F -1.0219084 0.1725516 0.0941252 0.1747493 -1.0131517 -0.0700591 0.0942185 -0.0739727 -0.9944362 28 F -0.9370331 0.2102053 0.0102905 0.2067975 -1.0466095 -0.1024148 0.0151309 -0.1036547 -0.9356902 29 F -1.0219084 -0.1725516 0.0941252 -0.1747493 -1.0131517 0.0700591 0.0942185 0.0739727 -0.9944362 30 F -0.9342466 0.1598007 -0.0081420 0.1616541 -1.1009915 0.0706184 -0.0174083 0.0748564 -0.9292800 31 F -0.9576953 0.0764856 -0.1673602 0.0808407 -0.9063414 0.0242988 -0.1639943 0.0154291 -1.0966312 32 F -0.9342466 -0.1598007 0.0081420 -0.1616541 -1.1009915 0.0706184 0.0174083 0.0748564 -0.9292800 33 F -1.0219084 -0.1725516 -0.0941252 -0.1747493 -1.0131517 -0.0700591 -0.0942185 -0.0739727 -0.9944362 34 F -1.0044337 -0.2228228 -0.1014757 -0.2253637 -0.9805877 -0.1068187 -0.0911396 -0.1032022 -0.9963024 35 F -0.9342466 0.1598007 0.0081420 0.1616541 -1.1009915 -0.0706184 0.0174083 -0.0748564 -0.9292800 36 F -0.9514332 0.0561588 0.1696216 0.0451471 -0.9031365 -0.0226088 0.1680943 -0.0205892 -1.1149175 37 F -0.9576953 -0.0764856 0.1673602 -0.0808407 -0.9063414 0.0242988 0.1639943 0.0154291 -1.0966312 38 F -1.0219084 0.1725516 -0.0941252 0.1747493 -1.0131517 0.0700591 -0.0942185 0.0739727 -0.9944362 39 F -0.9576953 0.0764856 0.1673602 0.0808407 -0.9063414 -0.0242988 0.1639943 -0.0154291 -1.0966312 40 F -1.0044337 -0.2228228 0.1014757 -0.2253637 -0.9805877 0.1068187 0.0911396 0.1032022 -0.9963024 ---------------------------------------------------------------------------- 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[ 9, 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[ 25, 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[ 35, 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[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:23:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:23:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.470353299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.198024950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.866040130000000 Atomic positions (fractional): 1 Li 0.12516300779580 0.14606011027873 0.99282563790242 6.941 2 Li 0.89558198776204 0.45270308958779 0.00482583659310 6.941 3 Li 0.62516300779580 0.35393988972127 0.99282563790242 6.941 4 Li 0.10441801223796 0.54729691041221 0.50482583659309 6.941 5 Li 0.85384451180664 0.04766125863252 0.99795748474557 6.941 6 Li 0.14615548819336 0.95233874136748 0.49795748474557 6.941 7 Li 0.87483699220420 0.85393988972127 0.49282563790242 6.941 8 Li 0.37483699220420 0.64606011027873 0.49282563790242 6.941 9 Li 0.60441801223796 0.95270308958779 0.50482583659309 6.941 10 Li 0.64615548819336 0.54766125863252 0.49795748474557 6.941 11 Li 0.39558198776204 0.04729691041221 0.00482583659310 6.941 12 Li 0.35384451180664 0.45233874136748 0.99795748474557 6.941 13 Al 0.12855384525832 0.76012566730468 0.00013856868587 26.982 14 Al 0.87144615474168 0.23987433269532 0.50013856868587 26.982 15 Al 0.37144615474168 0.26012566730468 0.50013856868587 26.982 16 Al 0.62855384525832 0.73987433269532 0.00013856868587 26.982 17 F 0.73715147701242 0.73328956167406 0.30518586087049 18.998 18 F 0.77495529372195 0.06518688284871 0.36053000106657 18.998 19 F 0.52437231872978 0.74293187927849 0.68814936940277 18.998 20 F 0.97159070463822 0.40330429547389 0.64878727640374 18.998 21 F 0.02840929536178 0.59669570452611 0.14878727640374 18.998 22 F 0.24614654957762 0.61803873372475 0.82527396298526 18.998 23 F 0.02437231872978 0.75706812072151 0.68814936940277 18.998 24 F 0.47159070463822 0.09669570452612 0.64878727640374 18.998 25 F 0.47562768127022 0.25706812072151 0.18814936940277 18.998 26 F 0.75385345042238 0.38196126627525 0.32527396298526 18.998 27 F 0.01246559571242 0.91034526719944 0.16915604134422 18.998 28 F 0.52840929536178 0.90330429547389 0.14878727640374 18.998 29 F 0.51246559571242 0.58965473280056 0.16915604134422 18.998 30 F 0.27495529372194 0.43481311715129 0.36053000106657 18.998 31 F 0.23715147701242 0.76671043832594 0.30518586087049 18.998 32 F 0.22504470627806 0.93481311715129 0.86053000106657 18.998 33 F 0.48753440428758 0.41034526719944 0.66915604134422 18.998 34 F 0.25385345042238 0.11803873372475 0.32527396298526 18.998 35 F 0.72504470627805 0.56518688284871 0.86053000106657 18.998 36 F 0.97562768127022 0.24293187927849 0.18814936940277 18.998 37 F 0.26284852298758 0.26671043832594 0.80518586087049 18.998 38 F 0.98753440428758 0.08965473280056 0.66915604134422 18.998 39 F 0.76284852298758 0.23328956167406 0.80518586087049 18.998 40 F 0.74614654957762 0.88196126627525 0.82527396298526 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.470353299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.198024950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.732080260000000 Atomic positions (fractional): 1 Li 0.12516300779580 0.14606011027873 0.49641281895121 6.941 > 1 2 Li 0.12516300779580 0.14606011027873 0.99641281895121 6.941 > 1 3 Li 0.89558198776204 0.45270308958779 0.00241291829655 6.941 > 3 4 Li 0.89558198776204 0.45270308958779 0.50241291829655 6.941 > 3 5 Li 0.62516300779580 0.35393988972127 0.49641281895121 6.941 > 5 6 Li 0.62516300779580 0.35393988972127 0.99641281895121 6.941 > 5 7 Li 0.10441801223796 0.54729691041221 0.25241291829655 6.941 > 7 8 Li 0.10441801223796 0.54729691041221 0.75241291829655 6.941 > 7 9 Li 0.85384451180664 0.04766125863252 0.49897874237278 6.941 > 9 10 Li 0.85384451180664 0.04766125863252 0.99897874237278 6.941 > 9 11 Li 0.14615548819336 0.95233874136748 0.24897874237278 6.941 > 11 12 Li 0.14615548819336 0.95233874136748 0.74897874237278 6.941 > 11 13 Li 0.87483699220420 0.85393988972127 0.24641281895121 6.941 > 13 14 Li 0.87483699220420 0.85393988972127 0.74641281895121 6.941 > 13 15 Li 0.37483699220420 0.64606011027873 0.24641281895121 6.941 > 15 16 Li 0.37483699220420 0.64606011027873 0.74641281895121 6.941 > 15 17 Li 0.60441801223796 0.95270308958779 0.25241291829655 6.941 > 17 18 Li 0.60441801223796 0.95270308958779 0.75241291829655 6.941 > 17 19 Li 0.64615548819336 0.54766125863252 0.24897874237278 6.941 > 19 20 Li 0.64615548819336 0.54766125863252 0.74897874237278 6.941 > 19 21 Li 0.39558198776204 0.04729691041221 0.00241291829655 6.941 > 21 22 Li 0.39558198776204 0.04729691041221 0.50241291829655 6.941 > 21 23 Li 0.35384451180664 0.45233874136748 0.49897874237278 6.941 > 23 24 Li 0.35384451180664 0.45233874136748 0.99897874237278 6.941 > 23 25 Al 0.12855384525832 0.76012566730468 0.00006928434294 26.982 > 25 26 Al 0.12855384525832 0.76012566730468 0.50006928434293 26.982 > 25 27 Al 0.87144615474168 0.23987433269532 0.25006928434294 26.982 > 27 28 Al 0.87144615474168 0.23987433269532 0.75006928434294 26.982 > 27 29 Al 0.37144615474168 0.26012566730468 0.25006928434294 26.982 > 29 30 Al 0.37144615474168 0.26012566730468 0.75006928434294 26.982 > 29 31 Al 0.62855384525832 0.73987433269532 0.00006928434294 26.982 > 31 32 Al 0.62855384525832 0.73987433269532 0.50006928434293 26.982 > 31 33 F 0.73715147701242 0.73328956167406 0.15259293043525 18.998 > 33 34 F 0.73715147701242 0.73328956167406 0.65259293043525 18.998 > 33 35 F 0.77495529372195 0.06518688284871 0.18026500053328 18.998 > 35 36 F 0.77495529372195 0.06518688284871 0.68026500053328 18.998 > 35 37 F 0.52437231872978 0.74293187927849 0.34407468470139 18.998 > 37 38 F 0.52437231872978 0.74293187927849 0.84407468470139 18.998 > 37 39 F 0.97159070463822 0.40330429547389 0.32439363820187 18.998 > 39 40 F 0.97159070463822 0.40330429547389 0.82439363820187 18.998 > 39 41 F 0.02840929536178 0.59669570452611 0.07439363820187 18.998 > 41 42 F 0.02840929536178 0.59669570452611 0.57439363820187 18.998 > 41 43 F 0.24614654957762 0.61803873372475 0.41263698149263 18.998 > 43 44 F 0.24614654957762 0.61803873372475 0.91263698149263 18.998 > 43 45 F 0.02437231872978 0.75706812072151 0.34407468470139 18.998 > 45 46 F 0.02437231872978 0.75706812072151 0.84407468470139 18.998 > 45 47 F 0.47159070463822 0.09669570452612 0.32439363820187 18.998 > 47 48 F 0.47159070463822 0.09669570452612 0.82439363820187 18.998 > 47 49 F 0.47562768127022 0.25706812072151 0.09407468470139 18.998 > 49 50 F 0.47562768127022 0.25706812072151 0.59407468470139 18.998 > 49 51 F 0.75385345042238 0.38196126627525 0.16263698149263 18.998 > 51 52 F 0.75385345042238 0.38196126627525 0.66263698149263 18.998 > 51 53 F 0.01246559571242 0.91034526719944 0.08457802067211 18.998 > 53 54 F 0.01246559571242 0.91034526719944 0.58457802067211 18.998 > 53 55 F 0.52840929536178 0.90330429547389 0.07439363820187 18.998 > 55 56 F 0.52840929536178 0.90330429547389 0.57439363820187 18.998 > 55 57 F 0.51246559571242 0.58965473280056 0.08457802067211 18.998 > 57 58 F 0.51246559571242 0.58965473280056 0.58457802067211 18.998 > 57 59 F 0.27495529372194 0.43481311715129 0.18026500053328 18.998 > 59 60 F 0.27495529372194 0.43481311715129 0.68026500053328 18.998 > 59 61 F 0.23715147701242 0.76671043832594 0.15259293043525 18.998 > 61 62 F 0.23715147701242 0.76671043832594 0.65259293043525 18.998 > 61 63 F 0.22504470627806 0.93481311715129 0.43026500053328 18.998 > 63 64 F 0.22504470627806 0.93481311715129 0.93026500053328 18.998 > 63 65 F 0.48753440428758 0.41034526719944 0.33457802067211 18.998 > 65 66 F 0.48753440428758 0.41034526719944 0.83457802067211 18.998 > 65 67 F 0.25385345042238 0.11803873372475 0.16263698149263 18.998 > 67 68 F 0.25385345042238 0.11803873372475 0.66263698149263 18.998 > 67 69 F 0.72504470627805 0.56518688284871 0.43026500053328 18.998 > 69 70 F 0.72504470627805 0.56518688284871 0.93026500053328 18.998 > 69 71 F 0.97562768127022 0.24293187927849 0.09407468470139 18.998 > 71 72 F 0.97562768127022 0.24293187927849 0.59407468470139 18.998 > 71 73 F 0.26284852298758 0.26671043832594 0.40259293043525 18.998 > 73 74 F 0.26284852298758 0.26671043832594 0.90259293043525 18.998 > 73 75 F 0.98753440428758 0.08965473280056 0.33457802067211 18.998 > 75 76 F 0.98753440428758 0.08965473280056 0.83457802067211 18.998 > 75 77 F 0.76284852298758 0.23328956167406 0.40259293043525 18.998 > 77 78 F 0.76284852298758 0.23328956167406 0.90259293043525 18.998 > 77 79 F 0.74614654957762 0.88196126627525 0.41263698149263 18.998 > 79 80 F 0.74614654957762 0.88196126627525 0.91263698149263 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9923787 0.0000000 0.0000000 0.0000000 2.0125345 0.0000000 0.0000000 0.0000000 2.0224141 -------------------------- Born effective charges -------------------------- 1 Li 1.1254549 0.0133433 0.0127776 0.0091700 1.0268688 0.0076928 -0.0124879 -0.0040949 1.0849763 2 Li 1.0561659 0.0196148 0.0238510 0.0118694 1.0902552 0.0028182 -0.0045495 -0.0082640 1.0674875 3 Li 1.1254549 -0.0133433 0.0127776 -0.0091700 1.0268688 -0.0076928 -0.0124879 0.0040949 1.0849763 4 Li 1.0561659 0.0196148 -0.0238510 0.0118694 1.0902552 -0.0028182 0.0045495 0.0082640 1.0674875 5 Li 0.9959407 0.0148066 0.0348052 0.0078720 1.0633389 -0.0026630 0.0101567 -0.0084264 1.1007778 6 Li 0.9959407 0.0148066 -0.0348052 0.0078720 1.0633389 0.0026630 -0.0101567 0.0084264 1.1007778 7 Li 1.1254549 0.0133433 -0.0127776 0.0091700 1.0268688 -0.0076928 0.0124879 0.0040949 1.0849763 8 Li 1.1254549 -0.0133433 -0.0127776 -0.0091700 1.0268688 0.0076928 0.0124879 -0.0040949 1.0849763 9 Li 1.0561659 -0.0196148 -0.0238510 -0.0118694 1.0902552 0.0028182 0.0045495 -0.0082640 1.0674875 10 Li 0.9959407 -0.0148066 -0.0348052 -0.0078720 1.0633389 -0.0026630 -0.0101567 -0.0084264 1.1007778 11 Li 1.0561659 -0.0196148 0.0238510 -0.0118694 1.0902552 -0.0028182 -0.0045495 0.0082640 1.0674875 12 Li 0.9959407 -0.0148066 0.0348052 -0.0078720 1.0633389 0.0026630 0.0101567 0.0084264 1.1007778 13 Al 2.6291886 -0.0546411 -0.0194061 -0.0592701 2.7703554 -0.0094285 -0.0084678 0.0317239 2.8140158 14 Al 2.6291886 -0.0546411 0.0194061 -0.0592701 2.7703554 0.0094285 0.0084678 -0.0317239 2.8140158 15 Al 2.6291886 0.0546411 0.0194061 0.0592701 2.7703554 -0.0094285 0.0084678 0.0317239 2.8140158 16 Al 2.6291886 0.0546411 -0.0194061 0.0592701 2.7703554 0.0094285 -0.0084678 -0.0317239 2.8140158 17 F -0.9576953 -0.0764856 -0.1673602 -0.0808407 -0.9063414 -0.0242988 -0.1639943 -0.0154291 -1.0966312 18 F -0.9342466 -0.1598007 -0.0081420 -0.1616541 -1.1009915 -0.0706184 -0.0174083 -0.0748564 -0.9292800 19 F -0.9514332 -0.0561588 -0.1696216 -0.0451471 -0.9031365 -0.0226088 -0.1680943 -0.0205892 -1.1149175 20 F -0.9370331 -0.2102053 -0.0102905 -0.2067975 -1.0466095 -0.1024148 -0.0151309 -0.1036547 -0.9356902 21 F -0.9370331 -0.2102053 0.0102905 -0.2067975 -1.0466095 0.1024148 0.0151309 0.1036547 -0.9356902 22 F -1.0044337 0.2228228 0.1014757 0.2253637 -0.9805877 -0.1068187 0.0911396 -0.1032022 -0.9963024 23 F -0.9514332 0.0561588 -0.1696216 0.0451471 -0.9031365 0.0226088 -0.1680943 0.0205892 -1.1149175 24 F -0.9370331 0.2102053 -0.0102905 0.2067975 -1.0466095 0.1024148 -0.0151309 0.1036547 -0.9356902 25 F -0.9514332 -0.0561588 0.1696216 -0.0451471 -0.9031365 0.0226088 0.1680943 0.0205892 -1.1149175 26 F -1.0044337 0.2228228 -0.1014757 0.2253637 -0.9805877 0.1068187 -0.0911396 0.1032022 -0.9963024 27 F -1.0219084 0.1725516 0.0941252 0.1747493 -1.0131517 -0.0700591 0.0942185 -0.0739727 -0.9944362 28 F -0.9370331 0.2102053 0.0102905 0.2067975 -1.0466095 -0.1024148 0.0151309 -0.1036547 -0.9356902 29 F -1.0219084 -0.1725516 0.0941252 -0.1747493 -1.0131517 0.0700591 0.0942185 0.0739727 -0.9944362 30 F -0.9342466 0.1598007 -0.0081420 0.1616541 -1.1009915 0.0706184 -0.0174083 0.0748564 -0.9292800 31 F -0.9576953 0.0764856 -0.1673602 0.0808407 -0.9063414 0.0242988 -0.1639943 0.0154291 -1.0966312 32 F -0.9342466 -0.1598007 0.0081420 -0.1616541 -1.1009915 0.0706184 0.0174083 0.0748564 -0.9292800 33 F -1.0219084 -0.1725516 -0.0941252 -0.1747493 -1.0131517 -0.0700591 -0.0942185 -0.0739727 -0.9944362 34 F -1.0044337 -0.2228228 -0.1014757 -0.2253637 -0.9805877 -0.1068187 -0.0911396 -0.1032022 -0.9963024 35 F -0.9342466 0.1598007 0.0081420 0.1616541 -1.1009915 -0.0706184 0.0174083 -0.0748564 -0.9292800 36 F -0.9514332 0.0561588 0.1696216 0.0451471 -0.9031365 -0.0226088 0.1680943 -0.0205892 -1.1149175 37 F -0.9576953 -0.0764856 0.1673602 -0.0808407 -0.9063414 0.0242988 0.1639943 0.0154291 -1.0966312 38 F -1.0219084 0.1725516 -0.0941252 0.1747493 -1.0131517 0.0700591 -0.0942185 0.0739727 -0.9944362 39 F -0.9576953 0.0764856 0.1673602 0.0808407 -0.9063414 -0.0242988 0.1639943 -0.0154291 -1.0966312 40 F -1.0044337 -0.2228228 0.1014757 -0.2253637 -0.9805877 0.1068187 0.0911396 0.1032022 -0.9963024 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 6 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 -0.000) 0.000 2.836 ( 0.000 0.000 -0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 -0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 -0.000) 0.000 3.954 ( 0.000 0.000 -0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 -0.000) 0.000 4.404 ( 0.000 0.000 -0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 -0.000) 0.000 5.093 ( 0.000 0.000 -0.000) 0.000 5.103 ( 0.000 0.000 -0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 -0.000) 0.000 6.290 ( 0.000 0.000 -0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 -0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.214 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.624 ( 0.000 0.000 -0.000) 0.000 8.702 ( 0.000 0.000 -0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 8.823 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 -0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 -0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.342 ( 0.000 0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.810 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 -0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.290 ( 0.000 0.000 0.000) 0.000 10.505 ( 0.000 0.000 0.000) 0.000 10.618 ( 0.000 0.000 0.000) 0.000 10.655 ( 0.000 0.000 -0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 10.703 ( 0.000 0.000 -0.000) 0.000 10.892 ( 0.000 0.000 -0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 10.956 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.245 ( 0.000 0.000 0.000) 0.000 11.327 ( 0.000 0.000 0.000) 0.000 11.336 ( 0.000 0.000 0.000) 0.000 11.405 ( 0.000 0.000 0.000) 0.000 11.523 ( 0.000 0.000 -0.000) 0.000 11.815 ( 0.000 0.000 0.000) 0.000 11.959 ( 0.000 0.000 -0.000) 0.000 12.046 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 -0.000) 0.000 12.223 ( 0.000 0.000 0.000) 0.000 12.339 ( 0.000 0.000 -0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.633 ( 0.000 0.000 -0.000) 0.000 12.643 ( 0.000 0.000 0.000) 0.000 12.723 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 -0.000) 0.000 13.220 ( 0.000 0.000 -0.000) 0.000 13.558 ( 0.000 0.000 -0.000) 0.000 13.619 ( 0.000 0.000 -0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.723 ( 0.000 0.000 0.000) 0.000 13.980 ( 0.000 0.000 0.000) 0.000 14.156 ( 0.000 0.000 0.000) 0.000 14.354 ( 0.000 0.000 -0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.618 ( 0.000 0.000 0.000) 0.000 14.985 ( 0.000 0.000 -0.000) 0.000 15.021 ( 0.000 0.000 -0.000) 0.000 15.450 ( 0.000 0.000 0.000) 0.000 16.226 ( 0.000 0.000 0.000) 0.000 16.459 ( 0.000 0.000 0.000) 0.000 16.916 ( 0.000 0.000 0.000) 0.000 17.017 ( 0.000 0.000 0.000) 0.000 17.298 ( 0.000 0.000 0.000) 0.000 17.357 ( 0.000 0.000 -0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.769 ( 0.000 0.000 0.000) 0.000 18.257 ( 0.000 0.000 0.000) 0.000 18.257 ( 0.000 0.000 0.000) 0.000 18.266 ( 0.000 0.000 0.000) 0.000 18.414 ( 0.000 0.000 -0.000) 0.000 18.541 ( 0.000 0.000 0.000) 0.000 18.951 ( 0.000 0.000 0.000) 0.000 20.249 ( 0.000 0.000 -0.000) 0.000 20.432 ( 0.000 0.000 0.000) 0.000 20.452 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 31.419 0.000 0.000) 31.419 0.738 ( 34.501 0.000 0.000) 34.501 1.226 ( 54.956 0.000 0.000) 54.956 2.423 ( -15.038 0.000 0.000) 15.038 2.435 ( -6.404 0.000 0.000) 6.404 2.491 ( -5.910 0.000 0.000) 5.910 3.001 ( -7.718 0.000 0.000) 7.718 3.180 ( 10.624 0.000 0.000) 10.624 3.342 ( 4.664 0.000 0.000) 4.664 3.620 ( 6.291 0.000 0.000) 6.291 3.807 ( -7.548 0.000 0.000) 7.548 4.038 ( -10.735 0.000 0.000) 10.735 4.082 ( 6.403 0.000 0.000) 6.403 4.256 ( -12.568 0.000 0.000) 12.568 4.276 ( 1.555 0.000 0.000) 1.555 4.730 ( 6.572 0.000 0.000) 6.572 4.921 ( -9.219 0.000 0.000) 9.219 5.084 ( -1.260 0.000 0.000) 1.260 5.182 ( -0.124 0.000 0.000) 0.124 5.317 ( 0.465 0.000 0.000) 0.465 5.432 ( -1.014 0.000 0.000) 1.014 5.519 ( 3.194 0.000 0.000) 3.194 5.590 ( -6.259 0.000 0.000) 6.259 5.891 ( -4.965 0.000 0.000) 4.965 6.042 ( 5.859 0.000 0.000) 5.859 6.076 ( -0.833 0.000 0.000) 0.833 6.217 ( -4.540 0.000 0.000) 4.540 6.283 ( 3.336 0.000 0.000) 3.336 6.442 ( -3.321 0.000 0.000) 3.321 6.562 ( 7.951 0.000 0.000) 7.951 6.692 ( -6.689 0.000 0.000) 6.689 6.901 ( 5.059 0.000 0.000) 5.059 7.109 ( -4.889 0.000 0.000) 4.889 7.297 ( 4.562 0.000 0.000) 4.562 7.336 ( -0.439 0.000 0.000) 0.439 7.430 ( 4.408 0.000 0.000) 4.408 7.510 ( 0.066 0.000 0.000) 0.066 7.701 ( -0.858 0.000 0.000) 0.858 7.818 ( 2.673 0.000 0.000) 2.673 8.007 ( 0.921 0.000 0.000) 0.921 8.059 ( -2.536 0.000 0.000) 2.536 8.133 ( -6.524 0.000 0.000) 6.524 8.198 ( 7.699 0.000 0.000) 7.699 8.333 ( 2.783 0.000 0.000) 2.783 8.440 ( 0.750 0.000 0.000) 0.750 8.508 ( 1.077 0.000 0.000) 1.077 8.589 ( -5.987 0.000 0.000) 5.987 8.682 ( 2.859 0.000 0.000) 2.859 8.789 ( -3.117 0.000 0.000) 3.117 8.842 ( -3.064 0.000 0.000) 3.064 9.072 ( 5.584 0.000 0.000) 5.584 9.086 ( -4.131 0.000 0.000) 4.131 9.159 ( 0.718 0.000 0.000) 0.718 9.163 ( -10.280 0.000 0.000) 10.280 9.199 ( -1.867 0.000 0.000) 1.867 9.358 ( 5.573 0.000 0.000) 5.573 9.436 ( 2.779 0.000 0.000) 2.779 9.654 ( 2.101 0.000 0.000) 2.101 9.802 ( -0.570 0.000 0.000) 0.570 10.124 ( -0.038 0.000 0.000) 0.038 10.163 ( 5.371 0.000 0.000) 5.371 10.196 ( 1.945 0.000 0.000) 1.945 10.348 ( 4.196 0.000 0.000) 4.196 10.410 ( -4.441 0.000 0.000) 4.441 10.622 ( 1.201 0.000 0.000) 1.201 10.673 ( -1.406 0.000 0.000) 1.406 10.693 ( -0.993 0.000 0.000) 0.993 10.728 ( -0.904 0.000 0.000) 0.904 10.839 ( 3.402 0.000 0.000) 3.402 10.867 ( -5.944 0.000 0.000) 5.944 11.157 ( 11.341 0.000 0.000) 11.341 11.200 ( -5.615 0.000 0.000) 5.615 11.249 ( 0.432 0.000 0.000) 0.432 11.347 ( -3.477 0.000 0.000) 3.477 11.385 ( 3.272 0.000 0.000) 3.272 11.509 ( -2.817 0.000 0.000) 2.817 11.820 ( -1.025 0.000 0.000) 1.025 11.902 ( 2.095 0.000 0.000) 2.095 11.921 ( -8.969 0.000 0.000) 8.969 12.123 ( -1.031 0.000 0.000) 1.031 12.169 ( -1.682 0.000 0.000) 1.682 12.270 ( -3.953 0.000 0.000) 3.953 12.424 ( 10.855 0.000 0.000) 10.855 12.444 ( 0.069 0.000 0.000) 0.069 12.509 ( 4.022 0.000 0.000) 4.022 12.654 ( -1.919 0.000 0.000) 1.919 12.771 ( 7.146 0.000 0.000) 7.146 13.045 ( -1.391 0.000 0.000) 1.391 13.084 ( -6.477 0.000 0.000) 6.477 13.173 ( 2.851 0.000 0.000) 2.851 13.294 ( 5.075 0.000 0.000) 5.075 13.564 ( -4.227 0.000 0.000) 4.227 13.566 ( -5.283 0.000 0.000) 5.283 13.732 ( -3.270 0.000 0.000) 3.270 13.826 ( -11.244 0.000 0.000) 11.244 13.909 ( -7.993 0.000 0.000) 7.993 14.235 ( 4.959 0.000 0.000) 4.959 14.449 ( 14.426 0.000 0.000) 14.426 14.611 ( 3.985 0.000 0.000) 3.985 14.820 ( 10.754 0.000 0.000) 10.754 14.974 ( -6.166 0.000 0.000) 6.166 15.090 ( 13.786 0.000 0.000) 13.786 15.332 ( -10.654 0.000 0.000) 10.654 16.191 ( -9.001 0.000 0.000) 9.001 16.516 ( 4.759 0.000 0.000) 4.759 16.936 ( 1.888 0.000 0.000) 1.888 17.152 ( -10.036 0.000 0.000) 10.036 17.411 ( 2.171 0.000 0.000) 2.171 17.490 ( -13.522 0.000 0.000) 13.522 17.663 ( -9.095 0.000 0.000) 9.095 18.128 ( 7.477 0.000 0.000) 7.477 18.294 ( 3.075 0.000 0.000) 3.075 18.441 ( 2.354 0.000 0.000) 2.354 18.556 ( 16.119 0.000 0.000) 16.119 18.712 ( 10.586 0.000 0.000) 10.586 18.962 ( 7.508 0.000 0.000) 7.508 20.008 ( -21.772 0.000 0.000) 21.772 20.131 ( -11.131 0.000 0.000) 11.131 20.812 ( 15.998 0.000 0.000) 15.998 21.494 ( -4.734 0.000 0.000) 4.734 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 29.508 0.000 0.000) 29.508 1.444 ( 31.870 0.000 0.000) 31.870 1.913 ( -26.783 0.000 0.000) 26.783 2.017 ( -12.905 0.000 0.000) 12.905 2.284 ( 20.345 0.000 0.000) 20.345 2.508 ( -0.274 0.000 0.000) 0.274 2.999 ( 10.918 0.000 0.000) 10.918 3.331 ( -1.009 0.000 0.000) 1.009 3.496 ( 8.684 0.000 0.000) 8.684 3.597 ( -13.751 0.000 0.000) 13.751 3.652 ( -5.351 0.000 0.000) 5.351 3.761 ( -8.926 0.000 0.000) 8.926 4.050 ( -1.620 0.000 0.000) 1.620 4.125 ( -3.855 0.000 0.000) 3.855 4.382 ( 10.691 0.000 0.000) 10.691 4.660 ( -14.153 0.000 0.000) 14.153 4.908 ( 8.394 0.000 0.000) 8.394 5.034 ( -3.693 0.000 0.000) 3.693 5.227 ( 5.249 0.000 0.000) 5.249 5.345 ( 2.089 0.000 0.000) 2.089 5.394 ( -2.255 0.000 0.000) 2.255 5.405 ( -10.185 0.000 0.000) 10.185 5.618 ( 5.769 0.000 0.000) 5.769 5.756 ( -7.051 0.000 0.000) 7.051 6.101 ( 2.597 0.000 0.000) 2.597 6.150 ( -1.455 0.000 0.000) 1.455 6.192 ( 6.262 0.000 0.000) 6.262 6.284 ( -2.403 0.000 0.000) 2.403 6.382 ( -0.261 0.000 0.000) 0.261 6.485 ( -8.479 0.000 0.000) 8.479 6.808 ( 9.915 0.000 0.000) 9.915 6.984 ( -7.015 0.000 0.000) 7.015 7.063 ( 9.691 0.000 0.000) 9.691 7.252 ( -7.097 0.000 0.000) 7.097 7.421 ( 5.966 0.000 0.000) 5.966 7.486 ( -0.082 0.000 0.000) 0.082 7.583 ( 6.013 0.000 0.000) 6.013 7.674 ( -2.034 0.000 0.000) 2.034 7.831 ( -0.259 0.000 0.000) 0.259 7.915 ( -7.252 0.000 0.000) 7.252 8.071 ( 1.191 0.000 0.000) 1.191 8.072 ( 0.194 0.000 0.000) 0.194 8.360 ( 5.865 0.000 0.000) 5.865 8.412 ( -1.481 0.000 0.000) 1.481 8.419 ( 4.776 0.000 0.000) 4.776 8.506 ( -2.431 0.000 0.000) 2.431 8.522 ( 1.478 0.000 0.000) 1.478 8.661 ( -7.953 0.000 0.000) 7.953 8.741 ( 0.849 0.000 0.000) 0.849 8.765 ( -2.377 0.000 0.000) 2.377 8.987 ( -3.251 0.000 0.000) 3.251 9.020 ( -5.532 0.000 0.000) 5.532 9.071 ( 2.219 0.000 0.000) 2.219 9.133 ( -1.617 0.000 0.000) 1.617 9.358 ( 10.239 0.000 0.000) 10.239 9.476 ( 4.107 0.000 0.000) 4.107 9.486 ( 0.183 0.000 0.000) 0.183 9.586 ( -7.237 0.000 0.000) 7.237 9.889 ( 8.678 0.000 0.000) 8.678 10.059 ( -5.019 0.000 0.000) 5.019 10.225 ( 0.799 0.000 0.000) 0.799 10.237 ( -0.510 0.000 0.000) 0.510 10.404 ( 1.187 0.000 0.000) 1.187 10.433 ( 2.680 0.000 0.000) 2.680 10.553 ( -1.507 0.000 0.000) 1.507 10.663 ( -1.669 0.000 0.000) 1.669 10.710 ( -4.249 0.000 0.000) 4.249 10.725 ( 1.902 0.000 0.000) 1.902 10.813 ( 3.630 0.000 0.000) 3.630 10.855 ( -0.562 0.000 0.000) 0.562 11.135 ( 2.191 0.000 0.000) 2.191 11.273 ( -5.235 0.000 0.000) 5.235 11.284 ( 1.260 0.000 0.000) 1.260 11.304 ( -1.200 0.000 0.000) 1.200 11.462 ( 4.171 0.000 0.000) 4.171 11.486 ( 5.377 0.000 0.000) 5.377 11.712 ( -5.882 0.000 0.000) 5.882 11.745 ( -7.393 0.000 0.000) 7.393 11.992 ( 4.292 0.000 0.000) 4.292 12.070 ( -3.406 0.000 0.000) 3.406 12.162 ( 1.008 0.000 0.000) 1.008 12.202 ( -2.492 0.000 0.000) 2.492 12.445 ( 0.955 0.000 0.000) 0.955 12.493 ( -3.068 0.000 0.000) 3.068 12.641 ( 7.719 0.000 0.000) 7.719 12.762 ( 6.642 0.000 0.000) 6.642 12.834 ( -0.561 0.000 0.000) 0.561 12.981 ( -5.282 0.000 0.000) 5.282 13.056 ( 7.431 0.000 0.000) 7.431 13.229 ( -1.082 0.000 0.000) 1.082 13.387 ( -7.534 0.000 0.000) 7.534 13.402 ( 0.314 0.000 0.000) 0.314 13.491 ( 2.269 0.000 0.000) 2.269 13.636 ( -6.989 0.000 0.000) 6.989 13.678 ( -0.264 0.000 0.000) 0.264 13.739 ( -6.716 0.000 0.000) 6.716 14.482 ( 14.551 0.000 0.000) 14.551 14.684 ( 3.562 0.000 0.000) 3.562 14.741 ( 8.371 0.000 0.000) 8.371 14.815 ( -5.564 0.000 0.000) 5.564 14.889 ( -0.566 0.000 0.000) 0.566 15.045 ( -14.655 0.000 0.000) 14.655 15.515 ( 21.634 0.000 0.000) 21.634 15.923 ( -16.293 0.000 0.000) 16.293 16.659 ( 8.971 0.000 0.000) 8.971 16.881 ( -10.847 0.000 0.000) 10.847 17.043 ( 4.689 0.000 0.000) 4.689 17.216 ( -11.126 0.000 0.000) 11.126 17.452 ( 2.129 0.000 0.000) 2.129 17.518 ( -4.621 0.000 0.000) 4.621 18.280 ( 5.622 0.000 0.000) 5.622 18.341 ( 0.084 0.000 0.000) 0.084 18.520 ( 5.507 0.000 0.000) 5.507 18.649 ( -5.272 0.000 0.000) 5.272 19.034 ( 22.014 0.000 0.000) 22.014 19.344 ( 22.712 0.000 0.000) 22.712 19.526 ( -23.595 0.000 0.000) 23.595 19.801 ( -19.466 0.000 0.000) 19.466 21.116 ( 12.754 0.000 0.000) 12.754 21.348 ( -9.044 0.000 0.000) 9.044 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 33.758 0.000) 33.758 0.792 ( 0.000 38.799 0.000) 38.799 1.241 ( 0.000 60.100 0.000) 60.100 2.494 ( 0.000 6.087 0.000) 6.087 2.609 ( 0.000 2.032 0.000) 2.032 2.821 ( 0.000 -1.487 0.000) 1.487 2.925 ( 0.000 -0.255 0.000) 0.255 3.148 ( 0.000 -0.754 0.000) 0.754 3.309 ( 0.000 4.931 0.000) 4.931 3.359 ( 0.000 -12.625 0.000) 12.625 3.945 ( 0.000 9.525 0.000) 9.525 3.968 ( 0.000 -1.577 0.000) 1.577 4.011 ( 0.000 -10.357 0.000) 10.357 4.127 ( 0.000 -2.689 0.000) 2.689 4.565 ( 0.000 -8.013 0.000) 8.013 4.694 ( 0.000 13.305 0.000) 13.305 4.790 ( 0.000 -19.448 0.000) 19.448 4.949 ( 0.000 -4.819 0.000) 4.819 5.096 ( 0.000 -3.034 0.000) 3.034 5.280 ( 0.000 -7.464 0.000) 7.464 5.387 ( 0.000 -10.059 0.000) 10.059 5.515 ( 0.000 6.469 0.000) 6.469 5.591 ( 0.000 -4.546 0.000) 4.546 5.997 ( 0.000 4.770 0.000) 4.770 6.046 ( 0.000 -7.980 0.000) 7.980 6.135 ( 0.000 4.277 0.000) 4.277 6.191 ( 0.000 -3.585 0.000) 3.585 6.320 ( 0.000 -4.820 0.000) 4.820 6.410 ( 0.000 7.910 0.000) 7.910 6.515 ( 0.000 0.329 0.000) 0.329 6.592 ( 0.000 -0.598 0.000) 0.598 6.901 ( 0.000 4.066 0.000) 4.066 6.996 ( 0.000 3.558 0.000) 3.558 7.206 ( 0.000 2.177 0.000) 2.177 7.320 ( 0.000 -4.983 0.000) 4.983 7.390 ( 0.000 4.665 0.000) 4.665 7.512 ( 0.000 -0.417 0.000) 0.417 7.664 ( 0.000 4.995 0.000) 4.995 7.782 ( 0.000 -0.478 0.000) 0.478 8.043 ( 0.000 -2.438 0.000) 2.438 8.139 ( 0.000 6.961 0.000) 6.961 8.190 ( 0.000 -4.936 0.000) 4.936 8.204 ( 0.000 -2.792 0.000) 2.792 8.363 ( 0.000 -1.377 0.000) 1.377 8.542 ( 0.000 1.208 0.000) 1.208 8.644 ( 0.000 -4.731 0.000) 4.731 8.682 ( 0.000 0.441 0.000) 0.441 8.731 ( 0.000 -6.567 0.000) 6.567 8.732 ( 0.000 0.211 0.000) 0.211 8.856 ( 0.000 -2.335 0.000) 2.335 8.925 ( 0.000 -5.881 0.000) 5.881 9.002 ( 0.000 -2.486 0.000) 2.486 9.152 ( 0.000 9.571 0.000) 9.571 9.153 ( 0.000 -4.848 0.000) 4.848 9.190 ( 0.000 -0.477 0.000) 0.477 9.507 ( 0.000 12.426 0.000) 12.426 9.535 ( 0.000 -0.572 0.000) 0.572 9.733 ( 0.000 4.922 0.000) 4.922 9.806 ( 0.000 0.665 0.000) 0.665 10.050 ( 0.000 -0.857 0.000) 0.857 10.086 ( 0.000 -6.132 0.000) 6.132 10.123 ( 0.000 -5.772 0.000) 5.772 10.325 ( 0.000 -8.544 0.000) 8.544 10.565 ( 0.000 -0.626 0.000) 0.626 10.670 ( 0.000 4.409 0.000) 4.409 10.681 ( 0.000 -1.487 0.000) 1.487 10.799 ( 0.000 1.598 0.000) 1.598 10.839 ( 0.000 -3.210 0.000) 3.210 10.915 ( 0.000 5.731 0.000) 5.731 10.996 ( 0.000 5.234 0.000) 5.234 11.003 ( 0.000 -2.703 0.000) 2.703 11.141 ( 0.000 -2.927 0.000) 2.927 11.187 ( 0.000 -9.669 0.000) 9.669 11.299 ( 0.000 3.126 0.000) 3.126 11.623 ( 0.000 6.707 0.000) 6.707 11.665 ( 0.000 12.727 0.000) 12.727 11.766 ( 0.000 -5.825 0.000) 5.825 11.945 ( 0.000 2.602 0.000) 2.602 12.036 ( 0.000 -6.932 0.000) 6.932 12.138 ( 0.000 6.051 0.000) 6.051 12.213 ( 0.000 -0.709 0.000) 0.709 12.217 ( 0.000 -2.462 0.000) 2.462 12.337 ( 0.000 -4.356 0.000) 4.356 12.484 ( 0.000 1.901 0.000) 1.901 12.574 ( 0.000 -1.689 0.000) 1.689 12.662 ( 0.000 4.833 0.000) 4.833 12.791 ( 0.000 9.627 0.000) 9.627 13.006 ( 0.000 -5.064 0.000) 5.064 13.193 ( 0.000 -10.792 0.000) 10.792 13.209 ( 0.000 2.477 0.000) 2.477 13.328 ( 0.000 9.811 0.000) 9.811 13.594 ( 0.000 3.418 0.000) 3.418 13.674 ( 0.000 -5.471 0.000) 5.471 13.795 ( 0.000 3.467 0.000) 3.467 13.901 ( 0.000 -5.146 0.000) 5.146 14.025 ( 0.000 -3.511 0.000) 3.511 14.125 ( 0.000 1.166 0.000) 1.166 14.351 ( 0.000 -1.603 0.000) 1.603 14.548 ( 0.000 1.428 0.000) 1.428 14.745 ( 0.000 13.200 0.000) 13.200 14.905 ( 0.000 -3.802 0.000) 3.802 15.160 ( 0.000 8.697 0.000) 8.697 15.552 ( 0.000 9.325 0.000) 9.325 16.224 ( 0.000 -0.886 0.000) 0.886 16.540 ( 0.000 7.884 0.000) 7.884 17.019 ( 0.000 0.232 0.000) 0.232 17.218 ( 0.000 -6.051 0.000) 6.051 17.329 ( 0.000 -2.218 0.000) 2.218 17.711 ( 0.000 -5.078 0.000) 5.078 17.768 ( 0.000 6.119 0.000) 6.119 18.181 ( 0.000 -4.292 0.000) 4.292 18.254 ( 0.000 0.123 0.000) 0.123 18.319 ( 0.000 2.905 0.000) 2.905 18.321 ( 0.000 -1.635 0.000) 1.635 18.452 ( 0.000 -6.817 0.000) 6.817 18.883 ( 0.000 -6.493 0.000) 6.493 20.183 ( 0.000 1.496 0.000) 1.496 20.316 ( 0.000 5.474 0.000) 5.474 20.416 ( 0.000 -0.588 0.000) 0.588 21.270 ( 0.000 -6.913 0.000) 6.913 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 21.606 21.539 0.000) 30.508 1.029 ( 19.284 28.579 0.000) 34.477 1.777 ( 39.065 41.746 0.000) 57.173 2.382 ( -10.568 3.361 0.000) 11.090 2.482 ( -20.568 3.641 0.000) 20.887 2.673 ( 6.253 6.040 0.000) 8.694 3.029 ( -2.594 4.026 0.000) 4.790 3.161 ( 6.407 -2.644 0.000) 6.931 3.349 ( 2.631 -0.669 0.000) 2.715 3.389 ( 2.160 -12.410 0.000) 12.597 3.890 ( -5.042 3.041 0.000) 5.888 3.971 ( -0.561 -10.929 0.000) 10.943 4.045 ( -4.592 -0.202 0.000) 4.596 4.153 ( 5.798 1.370 0.000) 5.958 4.398 ( -12.553 0.352 0.000) 12.558 4.739 ( 3.955 3.172 0.000) 5.070 4.758 ( -3.835 -16.886 0.000) 17.315 4.993 ( 2.071 -7.312 0.000) 7.599 5.090 ( 0.204 -3.113 0.000) 3.120 5.248 ( -2.888 -8.311 0.000) 8.798 5.342 ( -3.447 -9.578 0.000) 10.179 5.450 ( -5.044 -2.240 0.000) 5.519 5.618 ( 2.396 3.157 0.000) 3.964 5.947 ( -4.480 2.460 0.000) 5.111 6.052 ( 3.445 0.338 0.000) 3.461 6.134 ( 0.908 3.120 0.000) 3.250 6.246 ( -2.861 -1.321 0.000) 3.151 6.253 ( 3.766 -2.613 0.000) 4.584 6.443 ( -0.778 6.567 0.000) 6.613 6.596 ( 5.346 0.487 0.000) 5.368 6.636 ( -0.388 -4.779 0.000) 4.795 6.885 ( 0.346 3.521 0.000) 3.538 7.095 ( -1.493 -1.731 0.000) 2.285 7.183 ( 8.136 -1.123 0.000) 8.213 7.373 ( 1.787 -2.863 0.000) 3.375 7.401 ( 0.203 0.649 0.000) 0.680 7.539 ( 2.594 1.499 0.000) 2.996 7.660 ( -0.107 1.786 0.000) 1.789 7.812 ( 1.994 -0.091 0.000) 1.996 8.023 ( -2.685 0.384 0.000) 2.713 8.089 ( -2.463 0.276 0.000) 2.478 8.152 ( 0.869 -3.731 0.000) 3.831 8.274 ( 0.539 -3.596 0.000) 3.636 8.341 ( 0.923 5.031 0.000) 5.115 8.498 ( -5.088 -2.745 0.000) 5.781 8.563 ( -3.634 1.331 0.000) 3.870 8.574 ( -4.733 2.036 0.000) 5.153 8.739 ( 0.301 0.991 0.000) 1.036 8.800 ( 1.060 -4.929 0.000) 5.042 8.835 ( -2.783 4.137 0.000) 4.986 8.954 ( 4.031 -7.863 0.000) 8.836 9.048 ( -2.407 -0.832 0.000) 2.547 9.094 ( -0.767 -2.724 0.000) 2.830 9.162 ( -0.912 3.865 0.000) 3.971 9.229 ( 3.563 1.039 0.000) 3.711 9.351 ( -5.213 4.808 0.000) 7.092 9.566 ( -4.782 4.528 0.000) 6.586 9.742 ( 5.665 8.465 0.000) 10.186 9.855 ( 0.748 2.476 0.000) 2.586 10.030 ( 2.153 -8.275 0.000) 8.550 10.107 ( 2.801 -0.930 0.000) 2.952 10.201 ( 4.301 -7.006 0.000) 8.221 10.339 ( -0.843 -3.987 0.000) 4.075 10.539 ( -1.648 -3.760 0.000) 4.105 10.599 ( -1.860 2.701 0.000) 3.279 10.615 ( -5.877 9.413 0.000) 11.097 10.687 ( -1.642 3.715 0.000) 4.061 10.810 ( -1.377 -3.136 0.000) 3.425 10.898 ( -4.576 1.759 0.000) 4.902 10.978 ( -0.501 9.856 0.000) 9.869 11.042 ( -4.409 -8.038 0.000) 9.168 11.143 ( 2.032 0.824 0.000) 2.193 11.157 ( 5.515 -3.544 0.000) 6.555 11.368 ( 4.192 0.003 0.000) 4.192 11.561 ( -4.522 9.207 0.000) 10.257 11.641 ( -3.348 6.736 0.000) 7.522 11.731 ( -2.705 -3.791 0.000) 4.657 11.950 ( 2.634 4.685 0.000) 5.375 11.977 ( -5.212 1.023 0.000) 5.312 12.125 ( -1.061 -0.837 0.000) 1.352 12.177 ( -1.385 -0.560 0.000) 1.494 12.262 ( -2.903 0.895 0.000) 3.037 12.382 ( 11.372 -2.996 0.000) 11.760 12.444 ( -1.995 -0.377 0.000) 2.030 12.543 ( -0.414 4.934 0.000) 4.951 12.708 ( 0.708 -0.877 0.000) 1.127 12.842 ( 3.189 6.990 0.000) 7.683 12.961 ( 0.112 -5.337 0.000) 5.338 13.123 ( -2.366 -2.107 0.000) 3.168 13.175 ( -3.511 2.380 0.000) 4.241 13.336 ( -0.674 4.069 0.000) 4.124 13.498 ( -3.004 6.450 0.000) 7.115 13.576 ( -6.362 -5.769 0.000) 8.588 13.707 ( -9.912 -0.533 0.000) 9.926 13.916 ( 1.920 5.614 0.000) 5.933 14.043 ( -6.151 7.311 0.000) 9.555 14.198 ( 5.997 -2.000 0.000) 6.321 14.384 ( 13.420 -5.176 0.000) 14.383 14.751 ( 8.227 -5.509 0.000) 9.901 14.769 ( 3.600 12.849 0.000) 13.344 14.918 ( -1.741 -4.968 0.000) 5.264 15.204 ( 6.761 7.542 0.000) 10.129 15.437 ( -9.933 9.182 0.000) 13.527 16.123 ( -9.461 -4.766 0.000) 10.594 16.604 ( 5.945 9.956 0.000) 11.596 17.002 ( -0.139 3.456 0.000) 3.459 17.117 ( -6.527 -2.261 0.000) 6.908 17.384 ( 2.131 -1.860 0.000) 2.829 17.548 ( -9.705 2.568 0.000) 10.039 17.705 ( -12.215 4.913 0.000) 13.166 18.071 ( 6.436 -4.535 0.000) 7.873 18.259 ( 2.152 -3.536 0.000) 4.140 18.373 ( 6.422 -2.629 0.000) 6.939 18.559 ( 11.007 -3.695 0.000) 11.611 18.655 ( 7.891 -4.605 0.000) 9.136 18.912 ( 6.373 -6.318 0.000) 8.974 19.999 ( -14.440 1.785 0.000) 14.550 20.212 ( -10.228 7.573 0.000) 12.726 20.696 ( 17.014 -8.328 0.000) 18.943 21.300 ( -0.704 -12.765 0.000) 12.785 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 27.494 6.792 0.000) 28.321 1.502 ( 24.054 16.704 0.000) 29.285 1.997 ( -22.009 1.543 0.000) 22.063 2.012 ( -23.550 9.304 0.000) 25.321 2.599 ( 26.945 27.414 0.000) 38.439 2.784 ( 2.013 18.419 0.000) 18.529 3.075 ( 11.802 7.491 0.000) 13.979 3.276 ( 3.987 -8.592 0.000) 9.472 3.380 ( -1.375 -14.045 0.000) 14.112 3.442 ( 1.075 -3.449 0.000) 3.613 3.694 ( -12.499 2.089 0.000) 12.672 3.787 ( -16.113 -2.575 0.000) 16.318 3.995 ( 2.997 -1.188 0.000) 3.224 4.095 ( -6.217 -1.882 0.000) 6.495 4.402 ( 9.932 -0.050 0.000) 9.932 4.618 ( -9.102 -6.397 0.000) 11.125 4.841 ( 4.957 -7.221 0.000) 8.759 4.948 ( -5.013 -8.203 0.000) 9.614 5.145 ( 3.941 -5.854 0.000) 7.057 5.201 ( -1.204 -11.784 0.000) 11.845 5.285 ( -1.118 -4.165 0.000) 4.312 5.336 ( -5.100 -4.295 0.000) 6.667 5.700 ( 5.299 4.965 0.000) 7.262 5.827 ( -6.304 3.738 0.000) 7.329 6.161 ( 3.211 3.913 0.000) 5.062 6.180 ( 2.516 1.282 0.000) 2.823 6.227 ( 3.659 4.178 0.000) 5.554 6.317 ( 1.436 -0.817 0.000) 1.652 6.370 ( -3.975 3.737 0.000) 5.456 6.467 ( -8.993 -1.393 0.000) 9.100 6.807 ( 8.965 -0.953 0.000) 9.015 6.974 ( -5.669 -2.411 0.000) 6.160 7.007 ( 8.977 -2.455 0.000) 9.307 7.238 ( -10.035 -2.055 0.000) 10.243 7.405 ( 8.842 -1.165 0.000) 8.919 7.487 ( 1.863 -1.443 0.000) 2.356 7.587 ( 2.474 1.463 0.000) 2.874 7.647 ( -1.909 -0.873 0.000) 2.099 7.843 ( 2.288 1.758 0.000) 2.886 7.948 ( -5.752 2.394 0.000) 6.230 8.081 ( 3.066 -1.499 0.000) 3.413 8.156 ( -2.759 0.818 0.000) 2.878 8.280 ( 2.271 -4.807 0.000) 5.316 8.359 ( -5.285 -3.343 0.000) 6.253 8.413 ( 4.404 0.793 0.000) 4.475 8.499 ( -3.214 -1.075 0.000) 3.389 8.558 ( 2.159 1.704 0.000) 2.750 8.658 ( -6.193 -0.134 0.000) 6.194 8.829 ( 3.274 0.198 0.000) 3.280 8.844 ( 1.694 8.370 0.000) 8.539 8.955 ( -3.929 -0.980 0.000) 4.050 8.980 ( -5.833 4.754 0.000) 7.525 9.032 ( 2.131 -3.276 0.000) 3.909 9.100 ( -3.818 -1.217 0.000) 4.008 9.324 ( 4.612 -4.542 0.000) 6.472 9.402 ( 0.871 -2.593 0.000) 2.735 9.506 ( 3.899 1.635 0.000) 4.228 9.673 ( -7.882 3.388 0.000) 8.579 10.026 ( 9.479 11.296 0.000) 14.746 10.081 ( 2.207 -4.034 0.000) 4.598 10.199 ( 4.364 -4.229 0.000) 6.076 10.268 ( 0.024 -4.725 0.000) 4.725 10.305 ( 0.984 0.685 0.000) 1.199 10.441 ( -8.766 4.785 0.000) 9.987 10.569 ( 3.716 -6.512 0.000) 7.497 10.669 ( 1.608 2.942 0.000) 3.352 10.689 ( -0.181 -0.144 0.000) 0.231 10.756 ( 0.425 -0.088 0.000) 0.434 10.812 ( -2.941 4.051 0.000) 5.006 10.855 ( -7.487 2.760 0.000) 7.979 11.032 ( 3.951 -2.519 0.000) 4.685 11.140 ( -3.844 -1.052 0.000) 3.986 11.333 ( 8.763 -4.706 0.000) 9.947 11.450 ( 2.799 3.300 0.000) 4.327 11.481 ( -3.303 4.450 0.000) 5.542 11.517 ( -6.035 -0.774 0.000) 6.084 11.712 ( 1.839 5.630 0.000) 5.923 11.827 ( -7.844 4.409 0.000) 8.999 12.029 ( 3.792 3.182 0.000) 4.950 12.095 ( -2.383 0.706 0.000) 2.486 12.169 ( 1.341 -0.168 0.000) 1.351 12.211 ( -2.162 2.903 0.000) 3.620 12.437 ( 1.615 -1.661 0.000) 2.317 12.493 ( -2.682 0.144 0.000) 2.686 12.678 ( 8.443 -1.749 0.000) 8.622 12.768 ( 8.196 -4.203 0.000) 9.211 12.795 ( -2.193 0.308 0.000) 2.214 13.025 ( -4.392 3.155 0.000) 5.407 13.091 ( 0.246 2.718 0.000) 2.729 13.124 ( 0.466 -4.851 0.000) 4.873 13.290 ( -1.430 -5.994 0.000) 6.162 13.382 ( -9.002 -2.428 0.000) 9.323 13.499 ( 1.675 7.535 0.000) 7.719 13.555 ( -3.915 4.004 0.000) 5.600 13.915 ( -0.513 10.466 0.000) 10.478 13.937 ( -2.970 9.834 0.000) 10.273 14.453 ( 14.956 -2.226 0.000) 15.121 14.618 ( 7.936 -2.325 0.000) 8.270 14.734 ( -7.357 -5.322 0.000) 9.081 14.800 ( -6.027 -2.080 0.000) 6.376 14.949 ( 8.846 8.093 0.000) 11.990 15.172 ( -11.849 9.211 0.000) 15.008 15.499 ( 16.968 -1.847 0.000) 17.069 15.853 ( -15.471 -6.073 0.000) 16.620 16.767 ( 8.851 11.219 0.000) 14.290 16.943 ( -7.109 5.403 0.000) 8.929 17.073 ( 4.460 2.843 0.000) 5.289 17.253 ( -11.793 3.914 0.000) 12.426 17.466 ( 1.977 1.330 0.000) 2.383 17.533 ( -4.690 1.281 0.000) 4.862 18.217 ( 5.701 -5.121 0.000) 7.663 18.286 ( -0.610 -4.950 0.000) 4.988 18.496 ( 5.853 -2.148 0.000) 6.235 18.620 ( -5.125 -2.961 0.000) 5.919 18.902 ( 16.761 -11.607 0.000) 20.387 19.108 ( 3.039 -16.024 0.000) 16.310 19.748 ( -3.472 14.600 0.000) 15.007 19.930 ( -14.860 11.203 0.000) 18.610 21.002 ( 12.120 -10.381 0.000) 15.958 21.210 ( -7.386 -12.073 0.000) 14.153 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 31.793 0.000) 31.793 1.556 ( 0.000 35.913 0.000) 35.913 2.422 ( 0.000 47.113 0.000) 47.113 2.447 ( 0.000 -8.249 0.000) 8.249 2.713 ( 0.000 10.116 0.000) 10.116 2.756 ( 0.000 -8.797 0.000) 8.797 2.909 ( 0.000 -16.404 0.000) 16.404 2.976 ( 0.000 8.838 0.000) 8.838 3.271 ( 0.000 1.282 0.000) 1.282 3.524 ( 0.000 13.178 0.000) 13.178 3.787 ( 0.000 -4.304 0.000) 4.304 3.953 ( 0.000 -17.351 0.000) 17.351 4.031 ( 0.000 2.949 0.000) 2.949 4.075 ( 0.000 -1.175 0.000) 1.175 4.270 ( 0.000 -12.709 0.000) 12.709 4.476 ( 0.000 -22.236 0.000) 22.236 4.859 ( 0.000 -10.076 0.000) 10.076 4.863 ( 0.000 2.204 0.000) 2.204 4.916 ( 0.000 2.369 0.000) 2.369 5.074 ( 0.000 -8.299 0.000) 8.299 5.261 ( 0.000 -2.018 0.000) 2.018 5.602 ( 0.000 5.813 0.000) 5.813 5.617 ( 0.000 -0.991 0.000) 0.991 5.776 ( 0.000 -12.368 0.000) 12.368 6.059 ( 0.000 0.157 0.000) 0.157 6.075 ( 0.000 -4.647 0.000) 4.647 6.246 ( 0.000 5.542 0.000) 5.542 6.339 ( 0.000 2.239 0.000) 2.239 6.506 ( 0.000 -0.922 0.000) 0.922 6.516 ( 0.000 0.884 0.000) 0.884 6.660 ( 0.000 9.482 0.000) 9.482 6.994 ( 0.000 3.576 0.000) 3.576 7.105 ( 0.000 5.037 0.000) 5.037 7.207 ( 0.000 -5.256 0.000) 5.256 7.244 ( 0.000 1.916 0.000) 1.916 7.470 ( 0.000 1.012 0.000) 1.012 7.503 ( 0.000 1.938 0.000) 1.938 7.727 ( 0.000 -4.704 0.000) 4.704 7.792 ( 0.000 4.595 0.000) 4.595 8.022 ( 0.000 -2.357 0.000) 2.357 8.077 ( 0.000 -10.757 0.000) 10.757 8.115 ( 0.000 5.345 0.000) 5.345 8.324 ( 0.000 -0.300 0.000) 0.300 8.351 ( 0.000 12.069 0.000) 12.069 8.425 ( 0.000 -12.154 0.000) 12.154 8.502 ( 0.000 -7.441 0.000) 7.441 8.592 ( 0.000 -5.300 0.000) 5.300 8.664 ( 0.000 -1.724 0.000) 1.724 8.738 ( 0.000 -2.185 0.000) 2.185 8.811 ( 0.000 -2.687 0.000) 2.687 8.912 ( 0.000 7.095 0.000) 7.095 8.924 ( 0.000 -2.349 0.000) 2.349 9.149 ( 0.000 -3.852 0.000) 3.852 9.283 ( 0.000 10.064 0.000) 10.064 9.351 ( 0.000 9.341 0.000) 9.341 9.473 ( 0.000 -3.159 0.000) 3.159 9.721 ( 0.000 -6.519 0.000) 6.519 9.773 ( 0.000 10.987 0.000) 10.987 9.879 ( 0.000 5.366 0.000) 5.366 9.992 ( 0.000 -3.378 0.000) 3.378 10.036 ( 0.000 2.344 0.000) 2.344 10.039 ( 0.000 -1.301 0.000) 1.301 10.142 ( 0.000 -8.938 0.000) 8.938 10.570 ( 0.000 -3.972 0.000) 3.972 10.659 ( 0.000 1.395 0.000) 1.395 10.676 ( 0.000 -3.467 0.000) 3.467 10.785 ( 0.000 -1.207 0.000) 1.207 10.794 ( 0.000 -5.163 0.000) 5.163 10.922 ( 0.000 -0.526 0.000) 0.526 10.958 ( 0.000 -6.320 0.000) 6.320 10.992 ( 0.000 0.617 0.000) 0.617 11.019 ( 0.000 -1.270 0.000) 1.270 11.237 ( 0.000 8.483 0.000) 8.483 11.435 ( 0.000 6.256 0.000) 6.256 11.607 ( 0.000 -8.592 0.000) 8.592 11.666 ( 0.000 -6.724 0.000) 6.724 11.790 ( 0.000 9.569 0.000) 9.569 12.057 ( 0.000 7.312 0.000) 7.312 12.058 ( 0.000 0.982 0.000) 0.982 12.168 ( 0.000 -2.663 0.000) 2.663 12.187 ( 0.000 -0.752 0.000) 0.752 12.277 ( 0.000 6.847 0.000) 6.847 12.342 ( 0.000 6.108 0.000) 6.108 12.469 ( 0.000 -4.106 0.000) 4.106 12.546 ( 0.000 -1.626 0.000) 1.626 12.600 ( 0.000 -11.762 0.000) 11.762 12.937 ( 0.000 7.509 0.000) 7.509 13.008 ( 0.000 10.878 0.000) 10.878 13.178 ( 0.000 2.896 0.000) 2.896 13.270 ( 0.000 3.044 0.000) 3.044 13.456 ( 0.000 0.237 0.000) 0.237 13.489 ( 0.000 -11.894 0.000) 11.894 13.687 ( 0.000 5.375 0.000) 5.375 13.809 ( 0.000 0.584 0.000) 0.584 13.852 ( 0.000 0.367 0.000) 0.367 13.939 ( 0.000 -4.005 0.000) 4.005 14.145 ( 0.000 -0.916 0.000) 0.916 14.267 ( 0.000 -6.145 0.000) 6.145 14.593 ( 0.000 4.911 0.000) 4.911 14.826 ( 0.000 -4.345 0.000) 4.345 15.064 ( 0.000 15.250 0.000) 15.250 15.313 ( 0.000 4.837 0.000) 4.837 15.783 ( 0.000 12.162 0.000) 12.162 16.160 ( 0.000 -5.610 0.000) 5.610 16.767 ( 0.000 13.814 0.000) 13.814 17.004 ( 0.000 -2.176 0.000) 2.176 17.080 ( 0.000 -6.234 0.000) 6.234 17.298 ( 0.000 -2.628 0.000) 2.628 17.606 ( 0.000 -1.714 0.000) 1.714 17.912 ( 0.000 6.859 0.000) 6.859 18.110 ( 0.000 -2.500 0.000) 2.500 18.118 ( 0.000 -15.101 0.000) 15.101 18.295 ( 0.000 3.502 0.000) 3.502 18.355 ( 0.000 0.435 0.000) 0.435 18.406 ( 0.000 1.106 0.000) 1.106 18.706 ( 0.000 -10.247 0.000) 10.247 20.222 ( 0.000 2.209 0.000) 2.209 20.329 ( 0.000 -2.705 0.000) 2.705 20.546 ( 0.000 11.639 0.000) 11.639 21.075 ( 0.000 -11.849 0.000) 11.849 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 9.986 29.926 0.000) 31.548 1.669 ( 9.879 32.425 0.000) 33.896 2.458 ( -7.506 -6.519 0.000) 9.942 2.576 ( -11.000 6.745 0.000) 12.904 2.657 ( 4.443 4.399 0.000) 6.252 2.702 ( 20.932 41.815 0.000) 46.762 2.906 ( 1.791 -21.293 0.000) 21.368 3.072 ( 4.173 -1.475 0.000) 4.426 3.314 ( 2.701 9.104 0.000) 9.496 3.499 ( -2.367 4.713 0.000) 5.274 3.667 ( -8.473 -4.884 0.000) 9.780 3.973 ( -0.666 -3.463 0.000) 3.527 4.041 ( 0.275 0.687 0.000) 0.740 4.116 ( 4.463 -11.182 0.000) 12.040 4.251 ( -2.842 -8.974 0.000) 9.413 4.462 ( -1.180 -17.989 0.000) 18.028 4.767 ( -9.016 0.034 0.000) 9.016 4.853 ( -1.666 -9.587 0.000) 9.731 4.918 ( 1.132 -1.683 0.000) 2.028 5.059 ( -0.967 -6.908 0.000) 6.976 5.241 ( -1.108 -1.184 0.000) 1.621 5.481 ( -5.341 3.531 0.000) 6.402 5.707 ( 3.065 4.268 0.000) 5.255 5.803 ( 1.601 -12.314 0.000) 12.418 6.075 ( 2.911 0.400 0.000) 2.938 6.103 ( 3.087 -2.711 0.000) 4.108 6.267 ( 2.102 5.502 0.000) 5.890 6.351 ( 0.028 4.895 0.000) 4.896 6.500 ( 0.354 -2.708 0.000) 2.731 6.579 ( 2.437 -1.992 0.000) 3.147 6.642 ( -1.563 8.323 0.000) 8.468 7.002 ( -0.788 1.185 0.000) 1.423 7.091 ( -7.946 4.067 0.000) 8.926 7.160 ( 4.681 -0.749 0.000) 4.740 7.274 ( 5.591 -4.800 0.000) 7.369 7.398 ( -6.241 -3.331 0.000) 7.074 7.587 ( 4.474 3.907 0.000) 5.940 7.687 ( -1.438 0.419 0.000) 1.498 7.859 ( 3.967 3.702 0.000) 5.426 8.013 ( -1.639 -3.975 0.000) 4.300 8.059 ( -0.046 0.056 0.000) 0.073 8.146 ( 2.192 -6.823 0.000) 7.166 8.187 ( -8.606 6.685 0.000) 10.897 8.356 ( 0.771 -3.834 0.000) 3.910 8.370 ( -3.525 -9.163 0.000) 9.818 8.527 ( -3.971 -3.978 0.000) 5.621 8.602 ( 0.685 0.997 0.000) 1.210 8.669 ( 1.997 -2.966 0.000) 3.575 8.781 ( -1.456 3.100 0.000) 3.425 8.837 ( 6.078 -2.447 0.000) 6.552 8.919 ( 1.532 3.724 0.000) 4.027 8.998 ( 5.755 -1.891 0.000) 6.058 9.152 ( -5.827 9.408 0.000) 11.066 9.175 ( 1.290 -4.533 0.000) 4.713 9.408 ( -1.143 12.942 0.000) 12.992 9.438 ( 0.056 -1.134 0.000) 1.136 9.556 ( -10.844 -5.094 0.000) 11.981 9.803 ( -2.867 -0.919 0.000) 3.010 9.836 ( -3.294 -5.787 0.000) 6.658 10.043 ( 1.933 -4.342 0.000) 4.753 10.076 ( 2.625 -0.455 0.000) 2.664 10.131 ( 10.055 10.055 0.000) 14.220 10.165 ( 5.564 -3.485 0.000) 6.565 10.512 ( -4.083 0.930 0.000) 4.188 10.655 ( 0.918 2.079 0.000) 2.272 10.675 ( -3.667 -4.501 0.000) 5.806 10.764 ( -0.773 3.252 0.000) 3.343 10.851 ( -0.124 5.497 0.000) 5.499 10.878 ( 0.885 -4.342 0.000) 4.431 10.949 ( -2.729 -0.053 0.000) 2.729 11.014 ( 4.650 -4.933 0.000) 6.779 11.073 ( 4.807 -4.306 0.000) 6.453 11.236 ( -0.970 5.794 0.000) 5.875 11.440 ( -0.408 5.650 0.000) 5.665 11.549 ( -4.155 -6.878 0.000) 8.036 11.664 ( -1.566 -1.351 0.000) 2.068 11.795 ( 1.261 6.089 0.000) 6.218 12.014 ( -1.566 4.651 0.000) 4.908 12.056 ( -1.912 2.558 0.000) 3.193 12.100 ( -3.609 -0.801 0.000) 3.697 12.202 ( -0.315 0.232 0.000) 0.391 12.288 ( 1.178 3.718 0.000) 3.900 12.370 ( 2.540 2.333 0.000) 3.449 12.444 ( -1.147 -0.630 0.000) 1.309 12.538 ( -2.227 -5.625 0.000) 6.050 12.577 ( -0.862 -10.743 0.000) 10.778 12.873 ( -4.414 6.199 0.000) 7.610 13.056 ( 2.503 4.933 0.000) 5.532 13.138 ( -0.920 5.422 0.000) 5.499 13.257 ( -2.236 2.253 0.000) 3.174 13.401 ( -7.046 -2.315 0.000) 7.416 13.434 ( -2.339 -3.924 0.000) 4.568 13.658 ( 0.303 7.322 0.000) 7.328 13.737 ( -2.361 3.549 0.000) 4.263 13.991 ( 7.122 3.365 0.000) 7.877 14.108 ( 5.043 -1.434 0.000) 5.243 14.207 ( 0.855 1.703 0.000) 1.906 14.255 ( 10.163 -6.680 0.000) 12.162 14.652 ( 4.545 -2.591 0.000) 5.231 14.797 ( -2.725 -5.906 0.000) 6.505 15.061 ( 0.463 13.681 0.000) 13.689 15.316 ( 1.218 2.654 0.000) 2.920 15.651 ( -11.368 10.831 0.000) 15.702 16.007 ( -12.400 -6.883 0.000) 14.182 16.886 ( 9.464 15.637 0.000) 18.278 17.026 ( 1.687 0.142 0.000) 1.693 17.108 ( 1.741 -0.165 0.000) 1.749 17.337 ( 3.028 -2.901 0.000) 4.193 17.564 ( -3.172 1.139 0.000) 3.370 17.824 ( -15.203 2.742 0.000) 15.448 18.000 ( 6.112 -0.195 0.000) 6.115 18.175 ( 0.910 -4.848 0.000) 4.933 18.351 ( 5.280 0.492 0.000) 5.303 18.429 ( 6.698 -5.012 0.000) 8.365 18.552 ( 4.729 -5.980 0.000) 7.624 18.714 ( 2.296 -11.787 0.000) 12.009 20.110 ( -5.599 8.213 0.000) 9.940 20.392 ( -4.562 5.997 0.000) 7.535 20.552 ( 6.564 -2.325 0.000) 6.964 21.032 ( -3.952 -13.920 0.000) 14.471 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 17.031 21.144 0.000) 27.149 1.934 ( 14.137 24.000 0.000) 27.854 2.149 ( -17.137 11.126 0.000) 20.432 2.271 ( -15.790 15.159 0.000) 21.889 2.904 ( 12.815 -10.027 0.000) 16.271 2.960 ( 2.918 -19.789 0.000) 20.003 3.051 ( 2.993 -3.016 0.000) 4.250 3.215 ( -1.627 15.177 0.000) 15.264 3.389 ( 16.832 17.951 0.000) 24.608 3.460 ( 2.632 -11.526 0.000) 11.822 3.526 ( -3.444 12.452 0.000) 12.920 3.874 ( -13.667 5.128 0.000) 14.598 4.033 ( 0.341 1.905 0.000) 1.935 4.096 ( -7.027 -1.100 0.000) 7.112 4.255 ( 6.527 -12.577 0.000) 14.170 4.397 ( -6.027 -10.437 0.000) 12.052 4.643 ( 0.969 -14.215 0.000) 14.248 4.750 ( -6.835 -8.255 0.000) 10.717 4.967 ( 2.967 -7.464 0.000) 8.032 5.026 ( -2.433 -8.539 0.000) 8.879 5.270 ( 4.010 4.581 0.000) 6.089 5.375 ( -5.167 6.624 0.000) 8.401 5.767 ( 2.728 0.305 0.000) 2.745 5.810 ( -1.010 -5.933 0.000) 6.019 6.177 ( 4.023 -0.779 0.000) 4.098 6.189 ( 4.571 0.985 0.000) 4.676 6.312 ( 1.479 2.348 0.000) 2.775 6.371 ( 4.780 8.016 0.000) 9.333 6.435 ( -7.029 -1.915 0.000) 7.285 6.507 ( -6.472 6.270 0.000) 9.011 6.736 ( 7.799 -4.645 0.000) 9.078 6.896 ( -7.710 -5.797 0.000) 9.646 7.017 ( 3.237 3.666 0.000) 4.890 7.169 ( -9.034 -3.695 0.000) 9.760 7.377 ( 8.162 -1.970 0.000) 8.397 7.423 ( 4.545 -4.118 0.000) 6.133 7.631 ( 0.632 2.717 0.000) 2.789 7.667 ( -1.795 2.272 0.000) 2.895 7.914 ( 1.961 5.069 0.000) 5.436 8.001 ( -1.566 -0.870 0.000) 1.791 8.016 ( -4.038 0.487 0.000) 4.067 8.052 ( -1.608 -5.655 0.000) 5.880 8.209 ( 4.274 -4.105 0.000) 5.926 8.304 ( -3.411 -6.544 0.000) 7.380 8.388 ( 2.154 -2.419 0.000) 3.239 8.444 ( -3.127 -1.699 0.000) 3.559 8.562 ( -0.845 -1.857 0.000) 2.040 8.623 ( -5.257 -3.544 0.000) 6.340 8.835 ( 5.255 4.683 0.000) 7.039 8.924 ( -2.018 2.239 0.000) 3.014 8.981 ( 5.285 2.252 0.000) 5.744 9.059 ( -0.871 0.100 0.000) 0.877 9.131 ( 3.427 9.298 0.000) 9.910 9.193 ( 1.990 1.011 0.000) 2.231 9.288 ( -6.951 2.328 0.000) 7.330 9.354 ( -7.067 4.406 0.000) 8.328 9.530 ( 6.476 0.451 0.000) 6.491 9.681 ( -7.035 -1.993 0.000) 7.312 9.847 ( 4.305 -13.481 0.000) 14.152 9.965 ( -5.601 -13.337 0.000) 14.465 10.203 ( 5.765 1.100 0.000) 5.869 10.266 ( 0.741 3.886 0.000) 3.956 10.339 ( 7.988 -1.277 0.000) 8.089 10.524 ( -5.880 -0.149 0.000) 5.882 10.547 ( 4.610 5.105 0.000) 6.879 10.660 ( -2.284 8.136 0.000) 8.450 10.777 ( 3.546 3.651 0.000) 5.089 10.855 ( -1.105 0.477 0.000) 1.203 10.888 ( 0.133 7.565 0.000) 7.566 10.904 ( 0.579 3.226 0.000) 3.278 11.080 ( -1.769 3.244 0.000) 3.695 11.137 ( -4.446 -3.312 0.000) 5.544 11.221 ( 6.767 -2.882 0.000) 7.355 11.374 ( -5.147 -6.475 0.000) 8.272 11.532 ( 2.418 3.699 0.000) 4.419 11.602 ( -3.236 3.988 0.000) 5.136 11.833 ( 1.833 4.619 0.000) 4.969 11.910 ( -6.031 4.067 0.000) 7.274 12.060 ( 2.201 -2.818 0.000) 3.576 12.087 ( 0.238 0.929 0.000) 0.959 12.201 ( 1.754 1.607 0.000) 2.379 12.276 ( -3.084 3.214 0.000) 4.455 12.390 ( 0.612 -2.707 0.000) 2.775 12.446 ( -4.074 -5.462 0.000) 6.814 12.537 ( 6.348 -6.714 0.000) 9.240 12.584 ( 0.867 -9.096 0.000) 9.138 12.819 ( 1.466 0.745 0.000) 1.645 12.982 ( -9.686 -5.693 0.000) 11.236 13.166 ( -0.688 3.874 0.000) 3.935 13.199 ( 0.430 5.836 0.000) 5.852 13.316 ( 0.643 5.964 0.000) 5.998 13.377 ( -2.844 1.927 0.000) 3.436 13.680 ( 1.560 9.426 0.000) 9.555 13.714 ( -1.052 9.210 0.000) 9.269 14.051 ( 0.916 4.284 0.000) 4.381 14.081 ( -2.813 5.081 0.000) 5.807 14.380 ( 12.013 -5.639 0.000) 13.271 14.514 ( 6.023 -9.902 0.000) 11.590 14.653 ( -1.397 0.067 0.000) 1.399 14.752 ( -3.510 -2.877 0.000) 4.538 15.133 ( 7.254 9.316 0.000) 11.807 15.346 ( -9.391 6.146 0.000) 11.223 15.449 ( 5.734 -1.596 0.000) 5.952 15.708 ( -14.724 -7.780 0.000) 16.654 17.066 ( 2.326 7.970 0.000) 8.302 17.085 ( 3.315 13.810 0.000) 14.202 17.155 ( 7.612 6.324 0.000) 9.896 17.357 ( -5.027 4.389 0.000) 6.673 17.499 ( -1.119 1.972 0.000) 2.267 17.564 ( -7.226 1.729 0.000) 7.430 18.122 ( 4.616 -3.170 0.000) 5.600 18.180 ( -0.890 -4.505 0.000) 4.592 18.447 ( 4.216 -1.980 0.000) 4.657 18.534 ( -3.687 -4.999 0.000) 6.212 18.631 ( 9.964 -13.006 0.000) 16.384 18.761 ( -1.180 -16.820 0.000) 16.862 20.061 ( 2.165 15.790 0.000) 15.938 20.203 ( -9.900 14.572 0.000) 17.617 20.744 ( 9.226 -13.824 0.000) 16.620 20.916 ( -6.914 -15.897 0.000) 17.336 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.000 -22.945 0.000) 22.945 1.951 ( 0.000 22.945 0.000) 22.945 2.285 ( 0.000 -27.274 0.000) 27.274 2.285 ( 0.000 27.274 0.000) 27.274 2.798 ( 0.000 -1.688 0.000) 1.688 2.798 ( 0.000 1.688 0.000) 1.688 3.206 ( 0.000 -13.394 0.000) 13.394 3.206 ( 0.000 13.394 0.000) 13.394 3.478 ( 0.000 -32.074 0.000) 32.074 3.478 ( 0.000 32.074 0.000) 32.074 3.736 ( 0.000 -22.076 0.000) 22.076 3.736 ( 0.000 22.076 0.000) 22.076 3.968 ( 0.000 -15.928 0.000) 15.928 3.968 ( 0.000 15.928 0.000) 15.928 4.113 ( 0.000 -5.881 0.000) 5.881 4.113 ( 0.000 5.881 0.000) 5.881 4.884 ( 0.000 -4.605 0.000) 4.605 4.884 ( 0.000 4.605 0.000) 4.605 4.941 ( 0.000 -5.119 0.000) 5.119 4.941 ( 0.000 5.119 0.000) 5.119 5.360 ( 0.000 -12.742 0.000) 12.742 5.360 ( 0.000 12.742 0.000) 12.742 5.724 ( 0.000 -3.205 0.000) 3.205 5.724 ( 0.000 3.205 0.000) 3.205 6.029 ( 0.000 -0.939 0.000) 0.939 6.029 ( 0.000 0.939 0.000) 0.939 6.337 ( 0.000 -2.883 0.000) 2.883 6.337 ( 0.000 2.883 0.000) 2.883 6.505 ( 0.000 -0.957 0.000) 0.957 6.505 ( 0.000 0.957 0.000) 0.957 6.898 ( 0.000 -11.527 0.000) 11.527 6.898 ( 0.000 11.527 0.000) 11.527 7.166 ( 0.000 -1.154 0.000) 1.154 7.166 ( 0.000 1.154 0.000) 1.154 7.351 ( 0.000 -8.686 0.000) 8.686 7.351 ( 0.000 8.686 0.000) 8.686 7.617 ( 0.000 -5.821 0.000) 5.821 7.617 ( 0.000 5.821 0.000) 5.821 7.867 ( 0.000 -7.156 0.000) 7.156 7.867 ( 0.000 7.156 0.000) 7.156 8.145 ( 0.000 -12.186 0.000) 12.186 8.145 ( 0.000 12.186 0.000) 12.186 8.272 ( 0.000 -7.590 0.000) 7.590 8.272 ( 0.000 7.590 0.000) 7.590 8.458 ( 0.000 -2.996 0.000) 2.996 8.458 ( 0.000 2.996 0.000) 2.996 8.593 ( 0.000 -5.635 0.000) 5.635 8.593 ( 0.000 5.635 0.000) 5.635 8.740 ( 0.000 -3.291 0.000) 3.291 8.740 ( 0.000 3.291 0.000) 3.291 8.966 ( 0.000 -3.831 0.000) 3.831 8.966 ( 0.000 3.831 0.000) 3.831 9.180 ( 0.000 -10.000 0.000) 10.000 9.180 ( 0.000 10.000 0.000) 10.000 9.537 ( 0.000 -8.576 0.000) 8.576 9.537 ( 0.000 8.576 0.000) 8.576 9.723 ( 0.000 -16.596 0.000) 16.596 9.723 ( 0.000 16.596 0.000) 16.596 9.937 ( 0.000 -3.499 0.000) 3.499 9.937 ( 0.000 3.499 0.000) 3.499 10.001 ( 0.000 -1.867 0.000) 1.867 10.001 ( 0.000 1.867 0.000) 1.867 10.337 ( 0.000 -16.629 0.000) 16.629 10.337 ( 0.000 16.629 0.000) 16.629 10.654 ( 0.000 -1.672 0.000) 1.672 10.654 ( 0.000 1.672 0.000) 1.672 10.742 ( 0.000 -2.308 0.000) 2.308 10.742 ( 0.000 2.308 0.000) 2.308 10.921 ( 0.000 -0.220 0.000) 0.220 10.921 ( 0.000 0.220 0.000) 0.220 11.007 ( 0.000 -0.450 0.000) 0.450 11.007 ( 0.000 0.450 0.000) 0.450 11.421 ( 0.000 -9.126 0.000) 9.126 11.421 ( 0.000 9.126 0.000) 9.126 11.543 ( 0.000 -5.013 0.000) 5.013 11.543 ( 0.000 5.013 0.000) 5.013 11.980 ( 0.000 -7.763 0.000) 7.763 11.980 ( 0.000 7.763 0.000) 7.763 12.133 ( 0.000 -0.289 0.000) 0.289 12.133 ( 0.000 0.289 0.000) 0.289 12.285 ( 0.000 -10.683 0.000) 10.683 12.285 ( 0.000 10.683 0.000) 10.683 12.410 ( 0.000 -5.190 0.000) 5.190 12.410 ( 0.000 5.190 0.000) 5.190 12.490 ( 0.000 -3.514 0.000) 3.514 12.490 ( 0.000 3.514 0.000) 3.514 13.145 ( 0.000 -3.853 0.000) 3.853 13.145 ( 0.000 3.853 0.000) 3.853 13.223 ( 0.000 -6.150 0.000) 6.150 13.223 ( 0.000 6.150 0.000) 6.150 13.373 ( 0.000 -5.146 0.000) 5.146 13.373 ( 0.000 5.146 0.000) 5.146 13.791 ( 0.000 -3.977 0.000) 3.977 13.791 ( 0.000 3.977 0.000) 3.977 13.885 ( 0.000 -1.760 0.000) 1.760 13.885 ( 0.000 1.760 0.000) 1.760 14.150 ( 0.000 -3.548 0.000) 3.548 14.150 ( 0.000 3.548 0.000) 3.548 14.718 ( 0.000 -6.231 0.000) 6.231 14.718 ( 0.000 6.231 0.000) 6.231 15.300 ( 0.000 -6.731 0.000) 6.731 15.300 ( 0.000 6.731 0.000) 6.731 16.006 ( 0.000 -9.315 0.000) 9.315 16.006 ( 0.000 9.315 0.000) 9.315 16.969 ( 0.000 -0.942 0.000) 0.942 16.969 ( 0.000 0.942 0.000) 0.942 17.105 ( 0.000 -13.022 0.000) 13.022 17.105 ( 0.000 13.022 0.000) 13.022 17.771 ( 0.000 -14.926 0.000) 14.926 17.771 ( 0.000 14.926 0.000) 14.926 18.052 ( 0.000 -4.104 0.000) 4.104 18.052 ( 0.000 4.104 0.000) 4.104 18.347 ( 0.000 -1.061 0.000) 1.061 18.347 ( 0.000 1.061 0.000) 1.061 18.502 ( 0.000 -8.636 0.000) 8.636 18.502 ( 0.000 8.636 0.000) 8.636 20.271 ( 0.000 -2.680 0.000) 2.680 20.271 ( 0.000 2.680 0.000) 2.680 20.810 ( 0.000 -13.626 0.000) 13.626 20.810 ( 0.000 13.626 0.000) 13.626 ======================= Grid point 17 (11/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 6.885 -23.472 0.000) 24.462 2.038 ( 6.885 23.472 0.000) 24.462 2.327 ( 3.726 -26.081 0.000) 26.346 2.327 ( 3.726 26.081 0.000) 26.346 2.753 ( -3.634 -1.441 0.000) 3.909 2.753 ( -3.634 1.441 0.000) 3.909 3.122 ( -5.434 -11.553 0.000) 12.767 3.122 ( -5.434 11.553 0.000) 12.767 3.620 ( 8.955 -24.789 0.000) 26.357 3.620 ( 8.955 24.789 0.000) 26.357 3.717 ( 0.123 -26.988 0.000) 26.989 3.717 ( 0.123 26.988 0.000) 26.989 3.957 ( -0.829 -16.370 0.000) 16.391 3.957 ( -0.829 16.370 0.000) 16.391 4.128 ( 1.529 -2.804 0.000) 3.193 4.128 ( 1.529 2.804 0.000) 3.193 4.804 ( -7.443 -1.079 0.000) 7.520 4.804 ( -7.443 1.079 0.000) 7.520 4.929 ( -1.751 -2.175 0.000) 2.792 4.929 ( -1.751 2.175 0.000) 2.792 5.369 ( 1.666 -11.800 0.000) 11.917 5.369 ( 1.666 11.800 0.000) 11.917 5.726 ( 0.020 -2.462 0.000) 2.462 5.726 ( 0.020 2.462 0.000) 2.462 6.072 ( 4.196 -0.456 0.000) 4.221 6.072 ( 4.196 0.456 0.000) 4.221 6.361 ( 2.105 -2.906 0.000) 3.588 6.361 ( 2.105 2.906 0.000) 3.588 6.516 ( 0.035 -2.718 0.000) 2.719 6.516 ( 0.035 2.718 0.000) 2.719 6.858 ( -4.127 -10.831 0.000) 11.591 6.858 ( -4.127 10.831 0.000) 11.591 7.180 ( 0.912 -0.466 0.000) 1.024 7.180 ( 0.912 0.466 0.000) 1.024 7.269 ( -3.608 -6.659 0.000) 7.574 7.269 ( -3.608 6.659 0.000) 7.574 7.676 ( 2.760 -1.775 0.000) 3.282 7.676 ( 2.760 1.775 0.000) 3.282 7.909 ( 3.935 -5.785 0.000) 6.997 7.909 ( 3.935 5.785 0.000) 6.997 8.128 ( -1.480 -10.396 0.000) 10.501 8.128 ( -1.480 10.396 0.000) 10.501 8.184 ( -6.667 -5.123 0.000) 8.408 8.184 ( -6.667 5.123 0.000) 8.408 8.416 ( -1.656 -5.806 0.000) 6.038 8.416 ( -1.656 5.806 0.000) 6.038 8.625 ( -0.476 -0.725 0.000) 0.867 8.625 ( -0.476 0.725 0.000) 0.867 8.829 ( 6.751 -0.173 0.000) 6.753 8.829 ( 6.751 0.173 0.000) 6.753 8.998 ( 3.340 -4.690 0.000) 5.758 8.998 ( 3.340 4.690 0.000) 5.758 9.190 ( -0.787 -10.707 0.000) 10.736 9.190 ( -0.787 10.707 0.000) 10.736 9.397 ( -6.638 -8.441 0.000) 10.738 9.397 ( -6.638 8.441 0.000) 10.738 9.706 ( -2.145 -10.809 0.000) 11.019 9.706 ( -2.145 10.809 0.000) 11.019 9.825 ( -6.092 -2.835 0.000) 6.719 9.825 ( -6.092 2.835 0.000) 6.719 10.119 ( 6.249 -0.578 0.000) 6.276 10.119 ( 6.249 0.578 0.000) 6.276 10.477 ( 3.606 -11.641 0.000) 12.186 10.477 ( 3.606 11.641 0.000) 12.186 10.630 ( 3.480 -6.395 0.000) 7.280 10.630 ( 3.480 6.395 0.000) 7.280 10.755 ( 1.573 -0.400 0.000) 1.623 10.755 ( 1.573 0.400 0.000) 1.623 10.939 ( 2.309 -0.711 0.000) 2.416 10.939 ( 2.309 0.711 0.000) 2.416 11.002 ( 0.127 -1.887 0.000) 1.891 11.002 ( 0.127 1.887 0.000) 1.891 11.371 ( -5.295 -7.287 0.000) 9.007 11.371 ( -5.295 7.287 0.000) 9.007 11.578 ( 2.986 -3.269 0.000) 4.428 11.578 ( 2.986 3.269 0.000) 4.428 11.972 ( -1.650 -8.327 0.000) 8.489 11.972 ( -1.650 8.327 0.000) 8.489 12.082 ( -2.391 -0.274 0.000) 2.406 12.082 ( -2.391 0.274 0.000) 2.406 12.299 ( -0.579 -9.343 0.000) 9.361 12.299 ( -0.579 9.343 0.000) 9.361 12.379 ( -1.762 -2.523 0.000) 3.077 12.379 ( -1.762 2.523 0.000) 3.077 12.479 ( -0.663 -1.677 0.000) 1.803 12.479 ( -0.663 1.677 0.000) 1.803 13.044 ( -8.244 -3.310 0.000) 8.883 13.044 ( -8.244 3.310 0.000) 8.883 13.210 ( -0.365 -0.429 0.000) 0.563 13.210 ( -0.365 0.429 0.000) 0.563 13.397 ( 1.326 -2.008 0.000) 2.407 13.397 ( 1.326 2.008 0.000) 2.407 13.767 ( 1.255 -1.382 0.000) 1.867 13.767 ( 1.255 1.382 0.000) 1.867 14.068 ( 10.329 -0.577 0.000) 10.345 14.068 ( 10.329 0.577 0.000) 10.345 14.181 ( 3.160 -1.363 0.000) 3.441 14.181 ( 3.160 1.363 0.000) 3.441 14.684 ( -1.929 -1.685 0.000) 2.561 14.684 ( -1.929 1.685 0.000) 2.561 15.278 ( -1.144 -3.813 0.000) 3.981 15.278 ( -1.144 3.813 0.000) 3.981 15.849 ( -12.977 -3.085 0.000) 13.339 15.849 ( -12.977 3.085 0.000) 13.339 17.052 ( 6.285 -2.241 0.000) 6.672 17.052 ( 6.285 2.241 0.000) 6.672 17.191 ( 7.135 -9.151 0.000) 11.604 17.191 ( 7.135 9.151 0.000) 11.604 17.704 ( -5.629 -10.870 0.000) 12.241 17.704 ( -5.629 10.870 0.000) 12.241 18.076 ( 1.929 -2.909 0.000) 3.490 18.076 ( 1.929 2.909 0.000) 3.490 18.398 ( 3.623 -4.187 0.000) 5.537 18.398 ( 3.623 4.187 0.000) 5.537 18.500 ( 0.013 -6.755 0.000) 6.755 18.500 ( 0.013 6.755 0.000) 6.755 20.294 ( 2.161 -7.376 0.000) 7.686 20.294 ( 2.161 7.376 0.000) 7.686 20.741 ( -5.878 -13.133 0.000) 14.388 20.741 ( -5.878 13.133 0.000) 14.388 ======================= Grid point 19 (12/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 3.632 -12.234 0.000) 12.762 2.165 ( 3.632 12.234 0.000) 12.762 2.421 ( 4.032 -15.670 0.000) 16.180 2.421 ( 4.032 15.670 0.000) 16.180 2.670 ( -3.474 -7.917 0.000) 8.645 2.670 ( -3.474 7.917 0.000) 8.645 3.035 ( -2.165 -11.171 0.000) 11.378 3.035 ( -2.165 11.171 0.000) 11.378 3.648 ( -1.056 -3.979 0.000) 4.117 3.648 ( -1.056 3.979 0.000) 4.117 3.844 ( 3.607 -2.683 0.000) 4.496 3.844 ( 3.607 2.683 0.000) 4.496 3.970 ( 2.908 -13.919 0.000) 14.219 3.970 ( 2.908 13.919 0.000) 14.219 4.201 ( 6.382 -7.153 0.000) 9.586 4.201 ( 6.382 7.153 0.000) 9.586 4.567 ( -12.794 -7.306 0.000) 14.733 4.567 ( -12.794 7.306 0.000) 14.733 4.900 ( -0.662 -1.100 0.000) 1.284 4.900 ( -0.662 1.100 0.000) 1.284 5.425 ( 2.342 -4.616 0.000) 5.176 5.425 ( 2.342 4.616 0.000) 5.176 5.719 ( -0.531 -0.820 0.000) 0.977 5.719 ( -0.531 0.820 0.000) 0.977 6.194 ( 6.181 -0.263 0.000) 6.187 6.194 ( 6.181 0.263 0.000) 6.187 6.373 ( -2.658 -1.354 0.000) 2.983 6.373 ( -2.658 1.354 0.000) 2.983 6.520 ( 1.604 -4.783 0.000) 5.044 6.520 ( 1.604 4.783 0.000) 5.044 6.753 ( -4.223 -5.889 0.000) 7.247 6.753 ( -4.223 5.889 0.000) 7.247 7.104 ( -3.852 -2.011 0.000) 4.345 7.104 ( -3.852 2.011 0.000) 4.345 7.356 ( 6.303 -0.281 0.000) 6.309 7.356 ( 6.303 0.281 0.000) 6.309 7.682 ( -1.662 -0.137 0.000) 1.667 7.682 ( -1.662 0.137 0.000) 1.667 7.986 ( 1.196 -0.400 0.000) 1.261 7.986 ( 1.196 0.400 0.000) 1.261 8.054 ( -2.482 -3.071 0.000) 3.949 8.054 ( -2.482 3.071 0.000) 3.949 8.122 ( 0.072 -5.483 0.000) 5.484 8.122 ( 0.072 5.483 0.000) 5.484 8.408 ( 0.797 -1.244 0.000) 1.478 8.408 ( 0.797 1.244 0.000) 1.478 8.553 ( -4.502 -0.455 0.000) 4.525 8.553 ( -4.502 0.455 0.000) 4.525 8.946 ( 3.570 -1.790 0.000) 3.994 8.946 ( 3.570 1.790 0.000) 3.994 9.067 ( -1.945 -0.811 0.000) 2.107 9.067 ( -1.945 0.811 0.000) 2.107 9.122 ( 1.515 -5.871 0.000) 6.063 9.122 ( 1.515 5.871 0.000) 6.064 9.422 ( 4.133 -5.143 0.000) 6.598 9.422 ( 4.133 5.143 0.000) 6.598 9.629 ( -1.782 -8.558 0.000) 8.741 9.629 ( -1.782 8.558 0.000) 8.741 9.707 ( -5.975 -7.448 0.000) 9.549 9.707 ( -5.975 7.448 0.000) 9.549 10.254 ( 6.236 -2.764 0.000) 6.821 10.254 ( 6.236 2.764 0.000) 6.821 10.389 ( -5.919 -5.781 0.000) 8.273 10.389 ( -5.919 5.781 0.000) 8.273 10.755 ( 3.102 -4.176 0.000) 5.203 10.755 ( 3.102 4.176 0.000) 5.203 10.829 ( 2.445 -6.793 0.000) 7.220 10.829 ( 2.445 6.793 0.000) 7.220 10.982 ( 3.089 -3.680 0.000) 4.805 10.982 ( 3.089 3.680 0.000) 4.805 11.052 ( 1.468 -4.188 0.000) 4.438 11.052 ( 1.468 4.188 0.000) 4.438 11.255 ( -3.029 -2.423 0.000) 3.879 11.255 ( -3.029 2.423 0.000) 3.879 11.615 ( 0.148 -0.584 0.000) 0.603 11.615 ( 0.148 0.584 0.000) 0.603 11.934 ( -0.386 -2.449 0.000) 2.479 11.934 ( -0.386 2.449 0.000) 2.479 12.037 ( -2.712 -2.948 0.000) 4.006 12.037 ( -2.712 2.948 0.000) 4.006 12.259 ( -1.274 -4.316 0.000) 4.500 12.259 ( -1.274 4.316 0.000) 4.500 12.365 ( -0.435 -0.622 0.000) 0.760 12.365 ( -0.435 0.622 0.000) 0.760 12.490 ( 1.725 -0.236 0.000) 1.741 12.490 ( 1.725 0.236 0.000) 1.741 12.865 ( -6.539 -1.216 0.000) 6.651 12.865 ( -6.539 1.216 0.000) 6.651 13.230 ( 1.504 -0.147 0.000) 1.511 13.230 ( 1.504 0.147 0.000) 1.511 13.405 ( -0.378 -0.460 0.000) 0.595 13.405 ( -0.378 0.460 0.000) 0.595 13.815 ( 2.089 -0.152 0.000) 2.095 13.815 ( 2.089 0.152 0.000) 2.095 14.138 ( -0.998 -1.833 0.000) 2.087 14.138 ( -0.998 1.833 0.000) 2.087 14.317 ( 5.569 -1.338 0.000) 5.727 14.317 ( 5.569 1.338 0.000) 5.727 14.689 ( 1.716 -2.507 0.000) 3.038 14.689 ( 1.716 2.507 0.000) 3.038 15.304 ( 4.670 -1.916 0.000) 5.048 15.304 ( 4.670 1.916 0.000) 5.048 15.547 ( -13.427 -1.982 0.000) 13.573 15.547 ( -13.427 1.982 0.000) 13.573 17.164 ( 3.119 -0.842 0.000) 3.230 17.164 ( 3.119 0.842 0.000) 3.230 17.362 ( 8.134 -2.279 0.000) 8.447 17.362 ( 8.134 2.279 0.000) 8.447 17.561 ( -7.264 -2.493 0.000) 7.680 17.561 ( -7.264 2.493 0.000) 7.680 18.113 ( 1.158 -0.502 0.000) 1.263 18.113 ( 1.158 0.502 0.000) 1.263 18.448 ( 0.818 -0.835 0.000) 1.169 18.448 ( 0.818 0.835 0.000) 1.169 18.513 ( 0.861 -3.968 0.000) 4.060 18.513 ( 0.861 3.968 0.000) 4.060 20.354 ( 2.825 -5.883 0.000) 6.526 20.354 ( 2.825 5.883 0.000) 6.526 20.610 ( -4.961 -8.573 0.000) 9.906 20.610 ( -4.961 8.573 0.000) 9.906 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.000 0.000 31.661) 31.661 0.794 ( 0.000 0.000 38.150) 38.150 1.441 ( 0.000 0.000 68.474) 68.474 2.499 ( 0.000 0.000 6.133) 6.133 2.546 ( 0.000 0.000 4.283) 4.283 2.976 ( 0.000 0.000 11.999) 11.999 3.155 ( 0.000 0.000 19.712) 19.712 3.165 ( 0.000 0.000 2.581) 2.581 3.425 ( 0.000 0.000 2.136) 2.136 3.529 ( 0.000 0.000 0.135) 0.135 3.919 ( 0.000 0.000 10.496) 10.496 3.959 ( 0.000 0.000 0.337) 0.337 4.160 ( 0.000 0.000 1.191) 1.191 4.250 ( 0.000 0.000 0.305) 0.305 4.412 ( 0.000 0.000 1.071) 1.071 4.625 ( 0.000 0.000 -0.356) 0.356 4.956 ( 0.000 0.000 -5.720) 5.720 4.965 ( 0.000 0.000 -10.986) 10.986 4.989 ( 0.000 0.000 -8.974) 8.974 5.244 ( 0.000 0.000 -5.967) 5.967 5.368 ( 0.000 0.000 -6.001) 6.001 5.476 ( 0.000 0.000 -2.861) 2.861 5.622 ( 0.000 0.000 -4.527) 4.527 5.950 ( 0.000 0.000 0.904) 0.904 5.994 ( 0.000 0.000 1.184) 1.184 6.104 ( 0.000 0.000 0.132) 0.132 6.216 ( 0.000 0.000 -2.054) 2.054 6.384 ( 0.000 0.000 -7.609) 7.609 6.410 ( 0.000 0.000 10.078) 10.078 6.616 ( 0.000 0.000 0.036) 0.036 6.651 ( 0.000 0.000 3.793) 3.793 6.869 ( 0.000 0.000 0.967) 0.967 6.974 ( 0.000 0.000 0.319) 0.319 7.197 ( 0.000 0.000 -9.234) 9.234 7.219 ( 0.000 0.000 2.735) 2.735 7.354 ( 0.000 0.000 -2.894) 2.894 7.534 ( 0.000 0.000 2.202) 2.202 7.616 ( 0.000 0.000 -0.724) 0.724 7.988 ( 0.000 0.000 -2.139) 2.139 7.992 ( 0.000 0.000 -1.980) 1.980 8.069 ( 0.000 0.000 0.064) 0.064 8.221 ( 0.000 0.000 0.502) 0.502 8.228 ( 0.000 0.000 8.846) 8.846 8.237 ( 0.000 0.000 -5.368) 5.368 8.376 ( 0.000 0.000 -1.602) 1.602 8.631 ( 0.000 0.000 0.511) 0.511 8.645 ( 0.000 0.000 0.288) 0.288 8.647 ( 0.000 0.000 -3.843) 3.843 8.767 ( 0.000 0.000 -4.626) 4.626 8.799 ( 0.000 0.000 -2.751) 2.751 8.994 ( 0.000 0.000 -5.962) 5.962 9.013 ( 0.000 0.000 -7.759) 7.759 9.070 ( 0.000 0.000 2.760) 2.760 9.244 ( 0.000 0.000 2.970) 2.970 9.391 ( 0.000 0.000 2.953) 2.953 9.392 ( 0.000 0.000 2.148) 2.148 9.430 ( 0.000 0.000 1.920) 1.920 9.729 ( 0.000 0.000 -3.101) 3.101 9.819 ( 0.000 0.000 0.654) 0.654 9.878 ( 0.000 0.000 3.369) 3.369 10.091 ( 0.000 0.000 -7.025) 7.025 10.243 ( 0.000 0.000 -3.375) 3.375 10.357 ( 0.000 0.000 -7.267) 7.267 10.455 ( 0.000 0.000 -9.840) 9.840 10.503 ( 0.000 0.000 -9.617) 9.617 10.552 ( 0.000 0.000 -1.659) 1.659 10.707 ( 0.000 0.000 -0.530) 0.530 10.756 ( 0.000 0.000 -11.328) 11.328 10.769 ( 0.000 0.000 -3.074) 3.074 11.007 ( 0.000 0.000 5.180) 5.180 11.043 ( 0.000 0.000 1.490) 1.490 11.076 ( 0.000 0.000 2.178) 2.178 11.136 ( 0.000 0.000 -11.837) 11.837 11.323 ( 0.000 0.000 -3.056) 3.056 11.330 ( 0.000 0.000 -0.210) 0.210 11.450 ( 0.000 0.000 -5.574) 5.574 11.646 ( 0.000 0.000 -2.554) 2.554 11.855 ( 0.000 0.000 -1.033) 1.033 11.985 ( 0.000 0.000 -18.190) 18.190 12.016 ( 0.000 0.000 8.933) 8.933 12.033 ( 0.000 0.000 -3.426) 3.426 12.116 ( 0.000 0.000 -4.546) 4.546 12.281 ( 0.000 0.000 -1.325) 1.325 12.387 ( 0.000 0.000 0.961) 0.961 12.619 ( 0.000 0.000 -3.962) 3.962 12.641 ( 0.000 0.000 0.324) 0.324 12.752 ( 0.000 0.000 6.765) 6.765 12.885 ( 0.000 0.000 -0.830) 0.830 13.303 ( 0.000 0.000 11.908) 11.908 13.407 ( 0.000 0.000 10.915) 10.915 13.551 ( 0.000 0.000 -0.324) 0.324 13.640 ( 0.000 0.000 -6.910) 6.910 13.703 ( 0.000 0.000 10.254) 10.254 13.869 ( 0.000 0.000 19.320) 19.320 14.020 ( 0.000 0.000 3.277) 3.277 14.217 ( 0.000 0.000 7.276) 7.276 14.350 ( 0.000 0.000 0.811) 0.811 14.375 ( 0.000 0.000 -3.749) 3.749 14.838 ( 0.000 0.000 17.536) 17.536 14.862 ( 0.000 0.000 -13.940) 13.940 15.158 ( 0.000 0.000 14.869) 14.869 15.232 ( 0.000 0.000 -2.280) 2.280 15.580 ( 0.000 0.000 -5.984) 5.984 16.177 ( 0.000 0.000 -5.306) 5.306 16.617 ( 0.000 0.000 13.090) 13.090 16.874 ( 0.000 0.000 -11.336) 11.336 17.003 ( 0.000 0.000 8.322) 8.322 17.290 ( 0.000 0.000 -1.045) 1.045 17.350 ( 0.000 0.000 -1.230) 1.230 17.799 ( 0.000 0.000 3.627) 3.627 17.962 ( 0.000 0.000 -5.484) 5.484 18.301 ( 0.000 0.000 4.186) 4.186 18.372 ( 0.000 0.000 8.404) 8.404 18.441 ( 0.000 0.000 2.677) 2.677 18.512 ( 0.000 0.000 -2.099) 2.099 19.138 ( 0.000 0.000 17.100) 17.100 20.190 ( 0.000 0.000 -6.116) 6.116 20.299 ( 0.000 0.000 -12.095) 12.095 20.332 ( 0.000 0.000 -11.110) 11.110 21.649 ( 0.000 0.000 -4.073) 4.073 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 22.707 0.000 27.200) 35.432 1.162 ( 29.541 0.000 23.340) 37.649 1.731 ( 28.017 0.000 49.930) 57.253 2.468 ( -5.731 0.000 6.387) 8.581 2.492 ( -5.801 0.000 5.448) 7.958 2.743 ( -11.720 0.000 20.230) 23.380 3.034 ( -7.644 0.000 3.416) 8.373 3.285 ( 6.429 0.000 8.275) 10.478 3.409 ( 1.210 0.000 4.799) 4.949 3.635 ( 7.262 0.000 3.024) 7.866 3.862 ( -5.582 0.000 4.884) 7.417 4.056 ( 6.800 0.000 1.477) 6.959 4.063 ( -8.782 0.000 2.596) 9.158 4.260 ( -13.159 0.000 0.901) 13.190 4.268 ( 1.008 0.000 -0.723) 1.241 4.704 ( 6.449 0.000 -1.615) 6.648 4.864 ( -8.483 0.000 -5.372) 10.041 4.978 ( -1.272 0.000 -8.178) 8.277 5.001 ( 2.373 0.000 -12.158) 12.387 5.253 ( 0.984 0.000 -5.718) 5.802 5.410 ( 1.491 0.000 -4.118) 4.379 5.476 ( 2.073 0.000 -4.710) 5.146 5.543 ( -7.195 0.000 -5.453) 9.028 5.912 ( -3.458 0.000 0.902) 3.573 6.064 ( 5.454 0.000 2.120) 5.852 6.104 ( -1.709 0.000 -0.234) 1.725 6.272 ( -6.075 0.000 0.933) 6.146 6.288 ( 5.149 0.000 0.987) 5.243 6.410 ( -1.883 0.000 1.998) 2.746 6.602 ( 3.098 0.000 3.948) 5.018 6.722 ( -0.973 0.000 1.851) 2.091 6.889 ( 4.609 0.000 -0.436) 4.630 7.108 ( 9.516 0.000 -7.732) 12.262 7.145 ( -3.513 0.000 -0.079) 3.514 7.243 ( 0.265 0.000 -5.815) 5.821 7.389 ( 2.455 0.000 -3.874) 4.587 7.526 ( -0.173 0.000 1.878) 1.886 7.639 ( 1.443 0.000 -2.077) 2.529 7.949 ( -3.827 0.000 1.378) 4.067 7.986 ( 0.628 0.000 -1.902) 2.003 8.093 ( -0.654 0.000 0.400) 0.766 8.134 ( -3.978 0.000 -0.346) 3.993 8.177 ( 0.647 0.000 -0.290) 0.709 8.348 ( 5.500 0.000 2.044) 5.867 8.389 ( -0.522 0.000 -0.576) 0.778 8.594 ( -0.432 0.000 -0.808) 0.916 8.620 ( -1.550 0.000 0.542) 1.642 8.694 ( 4.213 0.000 1.049) 4.342 8.780 ( -2.081 0.000 -0.408) 2.120 8.822 ( -2.051 0.000 -2.604) 3.315 9.016 ( 4.586 0.000 -6.393) 7.868 9.035 ( -2.031 0.000 -4.865) 5.272 9.102 ( -1.768 0.000 -0.503) 1.839 9.208 ( 0.742 0.000 0.632) 0.975 9.211 ( -11.275 0.000 3.690) 11.864 9.398 ( 1.830 0.000 -1.429) 2.322 9.444 ( 4.469 0.000 5.595) 7.161 9.655 ( -0.604 0.000 2.035) 2.123 9.800 ( -3.776 0.000 -0.745) 3.849 10.087 ( 2.830 0.000 -3.472) 4.480 10.133 ( 2.281 0.000 -6.090) 6.503 10.139 ( -0.268 0.000 -3.239) 3.250 10.274 ( 2.364 0.000 -5.200) 5.713 10.413 ( -4.798 0.000 -2.419) 5.373 10.533 ( 2.652 0.000 -8.353) 8.764 10.573 ( 4.754 0.000 -6.285) 7.880 10.727 ( -0.434 0.000 -5.910) 5.926 10.757 ( -4.293 0.000 3.161) 5.331 10.814 ( 3.389 0.000 -3.863) 5.139 10.945 ( -4.066 0.000 2.840) 4.960 11.081 ( -1.123 0.000 -11.548) 11.602 11.138 ( 3.172 0.000 -2.756) 4.203 11.198 ( 3.922 0.000 -3.806) 5.465 11.265 ( -0.952 0.000 -2.520) 2.694 11.359 ( 2.574 0.000 2.242) 3.414 11.453 ( -1.496 0.000 -4.894) 5.117 11.657 ( 3.438 0.000 -9.357) 9.969 11.823 ( -3.590 0.000 -1.985) 4.102 11.876 ( -5.169 0.000 -13.798) 14.734 11.969 ( -7.826 0.000 -3.312) 8.498 12.142 ( 6.191 0.000 3.984) 7.362 12.185 ( 2.166 0.000 -7.663) 7.963 12.372 ( -0.572 0.000 1.110) 1.249 12.378 ( 9.459 0.000 0.309) 9.464 12.543 ( -2.736 0.000 -4.998) 5.697 12.615 ( -0.389 0.000 -0.772) 0.864 12.847 ( 4.195 0.000 3.338) 5.362 12.913 ( 1.369 0.000 -3.896) 4.129 13.263 ( -3.236 0.000 14.956) 15.302 13.399 ( 1.253 0.000 6.525) 6.644 13.463 ( -3.753 0.000 5.296) 6.491 13.694 ( 3.113 0.000 3.587) 4.749 13.747 ( -5.188 0.000 15.333) 16.187 13.858 ( -2.387 0.000 16.231) 16.406 13.892 ( -7.590 0.000 7.129) 10.413 14.126 ( -10.710 0.000 10.232) 14.812 14.264 ( 3.601 0.000 3.429) 4.972 14.527 ( 5.896 0.000 -4.963) 7.707 14.630 ( -6.391 0.000 4.379) 7.747 14.875 ( 2.447 0.000 7.078) 7.489 14.971 ( -8.176 0.000 2.786) 8.637 15.284 ( -12.497 0.000 -2.742) 12.795 15.324 ( 14.450 0.000 18.016) 23.096 16.167 ( -4.011 0.000 -4.112) 5.745 16.590 ( 0.644 0.000 8.749) 8.773 17.018 ( 0.718 0.000 7.288) 7.323 17.130 ( -9.474 0.000 -1.771) 9.638 17.412 ( 7.802 0.000 -12.706) 14.910 17.437 ( 3.960 0.000 1.784) 4.343 17.741 ( -2.509 0.000 1.155) 2.762 17.843 ( 0.692 0.000 -6.155) 6.194 18.271 ( -1.918 0.000 -1.421) 2.387 18.514 ( 14.049 0.000 -3.389) 14.452 18.524 ( 6.401 0.000 7.301) 9.709 18.744 ( 14.839 0.000 3.065) 15.152 19.122 ( 0.405 0.000 13.839) 13.845 19.882 ( -21.444 0.000 -11.858) 24.504 20.081 ( -10.670 0.000 -4.806) 11.703 20.687 ( 16.234 0.000 -11.559) 19.928 21.477 ( -10.479 0.000 -2.779) 10.841 ======================= Grid point 37 (15/72) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 27.070 0.000 15.986) 31.437 1.690 ( 22.670 0.000 26.583) 34.936 2.137 ( -17.404 0.000 11.456) 20.836 2.153 ( -20.595 0.000 18.840) 27.912 2.467 ( 20.993 0.000 19.788) 28.849 2.651 ( -0.955 0.000 14.833) 14.864 3.034 ( 11.212 0.000 3.340) 11.698 3.368 ( -3.265 0.000 2.686) 4.228 3.488 ( 4.931 0.000 1.033) 5.039 3.605 ( -12.559 0.000 1.954) 12.710 3.763 ( -1.667 0.000 8.199) 8.367 3.868 ( -8.281 0.000 9.612) 12.687 4.032 ( -1.212 0.000 -0.534) 1.324 4.109 ( -3.261 0.000 0.489) 3.298 4.363 ( 9.880 0.000 -1.619) 10.012 4.623 ( -13.218 0.000 -3.360) 13.638 4.849 ( 5.806 0.000 -5.195) 7.791 4.935 ( -2.823 0.000 -7.797) 8.292 5.095 ( 7.454 0.000 -9.148) 11.800 5.260 ( -3.365 0.000 -6.684) 7.483 5.371 ( -5.304 0.000 -4.838) 7.179 5.378 ( -2.394 0.000 -3.870) 4.550 5.610 ( 8.398 0.000 -2.615) 8.796 5.789 ( -7.876 0.000 0.396) 7.886 6.099 ( 1.557 0.000 -0.002) 1.557 6.160 ( -3.052 0.000 -0.011) 3.052 6.192 ( 4.412 0.000 2.213) 4.936 6.292 ( -3.689 0.000 2.067) 4.228 6.418 ( 4.126 0.000 3.941) 5.706 6.552 ( -6.998 0.000 5.134) 8.679 6.821 ( 9.202 0.000 1.127) 9.271 7.014 ( -8.449 0.000 1.953) 8.672 7.055 ( 9.232 0.000 -1.512) 9.355 7.205 ( -4.438 0.000 -6.276) 7.687 7.313 ( 9.514 0.000 -7.105) 11.874 7.440 ( -0.293 0.000 -2.649) 2.666 7.549 ( 3.335 0.000 -2.445) 4.136 7.637 ( -2.553 0.000 -3.093) 4.011 7.862 ( -2.200 0.000 1.064) 2.443 7.915 ( -6.182 0.000 0.009) 6.182 8.089 ( 1.079 0.000 0.603) 1.236 8.102 ( -0.216 0.000 0.071) 0.228 8.266 ( 5.772 0.000 -3.417) 6.707 8.358 ( -2.446 0.000 -0.963) 2.629 8.466 ( 6.674 0.000 1.907) 6.942 8.586 ( -1.330 0.000 1.402) 1.933 8.620 ( -0.128 0.000 2.857) 2.860 8.657 ( -8.396 0.000 0.331) 8.402 8.737 ( -1.783 0.000 -1.031) 2.059 8.746 ( 0.124 0.000 0.824) 0.833 8.981 ( -1.474 0.000 -1.135) 1.860 8.998 ( -3.977 0.000 -0.574) 4.018 9.081 ( -0.299 0.000 1.744) 1.769 9.102 ( 0.796 0.000 -3.108) 3.208 9.354 ( 9.477 0.000 -0.177) 9.479 9.459 ( 0.910 0.000 -2.457) 2.620 9.511 ( 1.781 0.000 2.710) 3.242 9.593 ( -5.611 0.000 1.143) 5.726 9.815 ( 4.774 0.000 -5.628) 7.380 9.930 ( -5.965 0.000 -6.878) 9.104 10.184 ( 3.075 0.000 -3.331) 4.533 10.261 ( -2.270 0.000 -0.290) 2.289 10.317 ( 1.733 0.000 -7.800) 7.990 10.356 ( -1.123 0.000 -8.495) 8.569 10.618 ( 4.933 0.000 1.326) 5.108 10.646 ( 2.510 0.000 -2.060) 3.247 10.687 ( 0.941 0.000 -2.154) 2.351 10.746 ( -1.816 0.000 -1.978) 2.685 10.853 ( 0.138 0.000 -2.829) 2.832 10.857 ( -1.659 0.000 4.560) 4.853 11.077 ( 1.480 0.000 -6.221) 6.395 11.129 ( -1.944 0.000 -8.885) 9.095 11.223 ( 0.087 0.000 -3.103) 3.104 11.263 ( -3.339 0.000 -5.264) 6.233 11.436 ( 3.878 0.000 -2.473) 4.600 11.446 ( 2.631 0.000 -3.068) 4.042 11.687 ( -3.115 0.000 -7.273) 7.912 11.721 ( -7.754 0.000 -6.984) 10.435 11.793 ( 3.182 0.000 -5.351) 6.226 11.859 ( -2.779 0.000 -6.434) 7.009 12.188 ( -0.360 0.000 -5.546) 5.557 12.192 ( -0.227 0.000 -2.617) 2.627 12.394 ( 2.610 0.000 -0.304) 2.628 12.453 ( -2.201 0.000 -2.648) 3.444 12.654 ( 8.743 0.000 -2.289) 9.037 12.664 ( 4.168 0.000 0.858) 4.256 12.855 ( -2.014 0.000 -0.190) 2.023 12.898 ( -3.252 0.000 -4.772) 5.775 13.251 ( 3.639 0.000 14.630) 15.076 13.388 ( -6.163 0.000 8.683) 10.648 13.467 ( 3.765 0.000 7.251) 8.170 13.537 ( -6.107 0.000 13.592) 14.901 13.744 ( 2.003 0.000 7.703) 7.959 13.798 ( -3.617 0.000 12.383) 12.900 13.802 ( -0.277 0.000 19.932) 19.934 13.903 ( -8.697 0.000 14.178) 16.633 14.485 ( 13.274 0.000 0.314) 13.277 14.657 ( -0.537 0.000 -3.766) 3.804 14.671 ( 9.453 0.000 -6.104) 11.253 14.856 ( -1.679 0.000 1.900) 2.536 14.895 ( -1.062 0.000 2.703) 2.904 14.972 ( -16.054 0.000 -3.269) 16.383 15.680 ( 17.316 0.000 13.506) 21.960 15.999 ( -11.968 0.000 5.379) 13.121 16.663 ( 6.721 0.000 1.642) 6.919 16.863 ( -11.272 0.000 -1.739) 11.406 17.117 ( 5.310 0.000 6.936) 8.735 17.279 ( -9.692 0.000 4.817) 10.823 17.514 ( 3.727 0.000 5.054) 6.279 17.610 ( -5.729 0.000 7.550) 9.478 18.072 ( 10.169 0.000 -15.389) 18.445 18.216 ( -3.996 0.000 -8.543) 9.431 18.677 ( 7.650 0.000 11.905) 14.151 18.801 ( 0.503 0.000 9.514) 9.528 18.953 ( 16.538 0.000 -5.120) 17.313 19.346 ( 19.524 0.000 0.309) 19.527 19.410 ( -22.931 0.000 -10.862) 25.374 19.767 ( -18.429 0.000 -3.334) 18.728 21.001 ( 13.474 0.000 -10.417) 17.031 21.257 ( -10.933 0.000 -7.751) 13.402 ======================= Grid point 40 (16/72) ======================= q-point: ( 0.00 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 23.414 20.768) 31.297 1.170 ( 0.000 28.904 27.178) 39.674 1.851 ( 0.000 36.309 50.099) 61.873 2.557 ( 0.000 7.462 6.448) 9.862 2.614 ( 0.000 1.083 1.947) 2.228 2.983 ( 0.000 0.047 14.460) 14.460 3.129 ( 0.000 -3.052 -0.722) 3.136 3.145 ( 0.000 -0.997 19.336) 19.362 3.384 ( 0.000 2.641 5.705) 6.286 3.467 ( 0.000 -6.958 8.890) 11.289 3.960 ( 0.000 -1.102 -0.344) 1.154 3.982 ( 0.000 6.592 3.841) 7.629 4.037 ( 0.000 -10.252 2.939) 10.665 4.148 ( 0.000 -2.021 2.381) 3.123 4.534 ( 0.000 -10.544 -2.900) 10.936 4.634 ( 0.000 10.847 -4.628) 11.793 4.691 ( 0.000 -15.356 -7.688) 17.173 4.923 ( 0.000 -1.809 -2.922) 3.437 5.039 ( 0.000 -0.693 -6.396) 6.433 5.238 ( 0.000 -5.895 -3.858) 7.045 5.356 ( 0.000 -9.114 -2.864) 9.553 5.451 ( 0.000 6.500 -6.239) 9.010 5.564 ( 0.000 -4.355 -2.980) 5.277 5.991 ( 0.000 -4.555 -2.872) 5.385 6.004 ( 0.000 4.477 0.250) 4.484 6.139 ( 0.000 3.981 0.405) 4.002 6.147 ( 0.000 -8.851 -3.252) 9.429 6.285 ( 0.000 -1.112 -3.111) 3.304 6.456 ( 0.000 3.429 4.478) 5.640 6.582 ( 0.000 -1.898 -0.458) 1.952 6.596 ( 0.000 -3.438 4.943) 6.021 6.908 ( 0.000 3.976 0.857) 4.067 7.010 ( 0.000 4.628 1.377) 4.828 7.236 ( 0.000 0.370 1.740) 1.779 7.309 ( 0.000 7.997 -7.464) 10.939 7.334 ( 0.000 -3.366 -1.302) 3.609 7.527 ( 0.000 -0.830 1.172) 1.436 7.669 ( 0.000 5.522 0.808) 5.581 7.774 ( 0.000 -3.984 -0.377) 4.001 8.046 ( 0.000 -7.103 0.579) 7.126 8.154 ( 0.000 0.103 -4.504) 4.505 8.155 ( 0.000 4.876 0.290) 4.884 8.246 ( 0.000 -2.678 4.630) 5.349 8.289 ( 0.000 -2.378 -4.584) 5.164 8.455 ( 0.000 4.804 -7.525) 8.928 8.596 ( 0.000 -3.055 -4.083) 5.100 8.642 ( 0.000 -2.240 -3.219) 3.922 8.666 ( 0.000 -1.838 -2.732) 3.293 8.741 ( 0.000 1.852 0.582) 1.941 8.855 ( 0.000 2.024 -0.306) 2.047 8.866 ( 0.000 -8.132 -7.310) 10.934 9.032 ( 0.000 2.723 1.673) 3.196 9.066 ( 0.000 2.574 -4.350) 5.055 9.196 ( 0.000 -1.260 -0.210) 1.278 9.226 ( 0.000 -10.593 4.048) 11.340 9.517 ( 0.000 2.480 -0.418) 2.515 9.547 ( 0.000 7.388 1.628) 7.565 9.750 ( 0.000 1.832 -0.561) 1.916 9.813 ( 0.000 1.483 -0.772) 1.672 9.898 ( 0.000 -0.392 -5.889) 5.902 10.039 ( 0.000 -1.784 -3.351) 3.797 10.162 ( 0.000 -7.367 0.820) 7.412 10.322 ( 0.000 -5.595 -0.507) 5.617 10.374 ( 0.000 3.378 -12.015) 12.481 10.618 ( 0.000 5.556 -4.461) 7.125 10.634 ( 0.000 0.930 -9.606) 9.651 10.705 ( 0.000 6.438 -10.623) 12.422 10.788 ( 0.000 2.223 -3.255) 3.942 10.951 ( 0.000 -4.486 1.854) 4.854 10.967 ( 0.000 0.920 -6.118) 6.187 11.046 ( 0.000 -0.979 -4.436) 4.543 11.065 ( 0.000 0.500 4.081) 4.111 11.215 ( 0.000 -0.392 4.468) 4.486 11.255 ( 0.000 -2.176 -2.415) 3.250 11.367 ( 0.000 10.939 -15.674) 19.114 11.587 ( 0.000 8.637 -3.830) 9.448 11.756 ( 0.000 5.652 -17.255) 18.157 11.772 ( 0.000 -7.108 -0.596) 7.132 11.996 ( 0.000 1.207 1.691) 2.078 12.032 ( 0.000 4.059 -9.715) 10.529 12.084 ( 0.000 1.098 -4.118) 4.261 12.169 ( 0.000 5.786 1.923) 6.098 12.271 ( 0.000 -1.353 -0.397) 1.411 12.422 ( 0.000 4.218 -6.095) 7.413 12.568 ( 0.000 -4.147 0.692) 4.205 12.656 ( 0.000 3.956 -0.441) 3.980 12.871 ( 0.000 -1.040 -4.329) 4.452 12.893 ( 0.000 9.852 2.785) 10.238 13.300 ( 0.000 -0.392 10.887) 10.894 13.421 ( 0.000 -5.662 13.279) 14.436 13.525 ( 0.000 -3.569 16.983) 17.354 13.547 ( 0.000 -0.848 -3.684) 3.780 13.675 ( 0.000 3.957 1.193) 4.133 13.923 ( 0.000 0.479 10.852) 10.863 13.983 ( 0.000 -2.990 6.337) 7.007 14.164 ( 0.000 -3.103 7.280) 7.914 14.337 ( 0.000 -1.627 -0.081) 1.629 14.435 ( 0.000 0.908 -0.144) 0.919 14.739 ( 0.000 -14.987 20.086) 25.061 14.831 ( 0.000 -2.570 -10.608) 10.914 15.005 ( 0.000 0.323 20.322) 20.325 15.235 ( 0.000 6.439 10.634) 12.431 15.499 ( 0.000 5.549 -4.306) 7.024 16.166 ( 0.000 -1.645 -6.049) 6.269 16.697 ( 0.000 8.321 13.992) 16.279 16.867 ( 0.000 -0.302 -11.109) 11.113 17.193 ( 0.000 -4.850 -1.675) 5.131 17.361 ( 0.000 1.260 1.114) 1.682 17.527 ( 0.000 23.661 -13.393) 27.188 17.738 ( 0.000 -5.192 2.908) 5.951 17.958 ( 0.000 -0.207 -7.545) 7.548 18.220 ( 0.000 -6.314 3.827) 7.383 18.409 ( 0.000 -6.609 -2.991) 7.254 18.433 ( 0.000 4.034 8.820) 9.698 18.514 ( 0.000 2.227 5.808) 6.221 19.036 ( 0.000 -9.440 13.718) 16.653 20.215 ( 0.000 -6.596 -5.876) 8.834 20.246 ( 0.000 0.520 -9.904) 9.918 20.314 ( 0.000 6.040 -6.098) 8.583 21.411 ( 0.000 -14.791 5.433) 15.757 ======================= Grid point 41 (17/72) ======================= q-point: ( 0.20 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 18.396 14.190 20.886) 31.241 1.440 ( 19.059 20.750 26.538) 38.705 2.127 ( 24.620 33.036 34.721) 53.881 2.452 ( -9.765 4.439 7.489) 13.082 2.620 ( -5.584 5.569 6.955) 10.515 2.793 ( -5.152 1.979 16.025) 16.948 3.068 ( -3.160 3.863 2.794) 5.720 3.256 ( 4.363 -3.416 9.419) 10.928 3.394 ( 1.417 -0.070 4.396) 4.619 3.518 ( 3.263 -8.097 11.144) 14.156 3.905 ( -4.925 2.407 0.399) 5.496 3.980 ( -1.364 -8.884 2.248) 9.265 4.055 ( -2.256 -2.818 1.274) 3.828 4.147 ( 1.955 2.133 1.715) 3.364 4.380 ( -10.981 0.453 -1.546) 11.099 4.641 ( -0.375 -11.163 -7.286) 13.336 4.726 ( 2.580 -4.248 -3.702) 6.198 4.921 ( -0.641 -2.562 -5.194) 5.827 5.042 ( 0.429 0.383 -5.439) 5.469 5.209 ( -2.308 -5.995 -4.167) 7.657 5.319 ( -2.916 -7.214 -3.108) 8.379 5.441 ( -1.788 -2.609 -2.217) 3.863 5.571 ( 1.042 1.540 -4.327) 4.710 5.938 ( -4.296 -0.915 -2.599) 5.104 6.053 ( 4.499 1.755 1.350) 5.015 6.141 ( 0.841 0.892 -0.506) 1.327 6.195 ( 1.617 -3.400 -0.833) 3.856 6.287 ( 1.155 -1.112 0.394) 1.651 6.456 ( -0.775 5.001 2.338) 5.574 6.597 ( 2.190 -0.521 1.368) 2.635 6.669 ( 3.694 -5.282 1.120) 6.542 6.899 ( -0.595 4.277 1.308) 4.512 7.064 ( 5.829 -0.906 -3.193) 6.708 7.154 ( -4.213 -0.634 0.203) 4.266 7.337 ( -0.587 3.084 -5.775) 6.573 7.378 ( 3.000 0.903 -3.251) 4.515 7.522 ( 0.091 -0.112 -0.203) 0.249 7.649 ( -1.257 0.358 -0.084) 1.309 7.814 ( 2.301 -1.688 0.151) 2.858 7.989 ( -3.634 -4.020 -2.096) 5.810 8.078 ( -1.807 2.340 -2.277) 3.732 8.160 ( -2.167 -4.640 0.891) 5.198 8.276 ( 1.249 3.649 -4.756) 6.123 8.328 ( 2.265 -2.038 3.563) 4.688 8.456 ( 0.453 1.149 -4.419) 4.589 8.549 ( -0.145 1.363 -0.265) 1.396 8.614 ( -4.942 -1.576 1.303) 5.348 8.704 ( 0.527 -3.425 -4.392) 5.594 8.743 ( 1.091 0.363 -3.027) 3.238 8.841 ( -2.762 -1.821 -0.577) 3.358 8.918 ( 1.126 -3.090 -3.660) 4.920 8.955 ( 2.448 -2.107 -3.596) 4.834 9.152 ( -2.451 -3.453 4.114) 5.905 9.192 ( 2.358 -2.177 0.320) 3.225 9.266 ( 1.648 7.222 1.521) 7.562 9.371 ( -3.156 -0.323 1.340) 3.444 9.575 ( -5.547 9.963 -2.726) 11.724 9.710 ( -0.325 1.945 2.515) 3.196 9.802 ( 2.842 2.528 -3.773) 5.357 9.993 ( 3.489 -7.031 -4.693) 9.145 10.047 ( 3.528 -1.848 -3.224) 5.125 10.187 ( 1.182 -5.084 -2.471) 5.775 10.316 ( -2.572 -0.486 -3.708) 4.539 10.410 ( 3.606 -1.601 -5.343) 6.642 10.541 ( -3.465 4.432 -7.571) 9.432 10.602 ( -2.558 1.568 -6.768) 7.403 10.657 ( -0.209 6.532 -4.317) 7.832 10.770 ( -1.428 -4.005 -2.284) 4.827 10.927 ( -3.131 3.857 0.229) 4.973 10.975 ( -2.443 -3.264 -4.122) 5.798 11.025 ( -0.860 2.569 -4.143) 4.950 11.120 ( 2.103 0.682 0.513) 2.269 11.169 ( -0.093 -2.999 2.619) 3.982 11.305 ( 5.112 0.590 -5.278) 7.372 11.417 ( 0.649 7.199 -7.591) 10.482 11.559 ( -3.218 5.255 -5.128) 8.017 11.702 ( -0.424 -0.445 -8.352) 8.374 11.784 ( -2.178 3.854 -5.606) 7.143 11.901 ( -1.337 -0.818 -9.944) 10.067 12.044 ( -5.049 6.689 0.470) 8.394 12.148 ( 1.834 1.557 -0.263) 2.421 12.257 ( 8.114 2.165 -4.330) 9.448 12.334 ( 3.858 -1.708 -0.625) 4.266 12.397 ( 1.728 1.197 -1.595) 2.638 12.556 ( -1.032 2.356 -3.202) 4.107 12.633 ( -2.875 0.573 -0.794) 3.038 12.790 ( 0.520 -1.409 -1.461) 2.095 13.001 ( 1.211 4.066 -4.446) 6.145 13.251 ( -4.220 -2.422 12.304) 13.231 13.318 ( -0.341 -0.407 13.029) 13.040 13.519 ( -2.294 -5.331 14.760) 15.860 13.616 ( -3.357 3.708 3.710) 6.228 13.702 ( 1.404 -1.940 10.391) 10.664 13.836 ( -4.580 -1.131 8.920) 10.091 13.970 ( 1.436 2.365 5.578) 6.226 14.150 ( -5.758 2.271 9.951) 11.719 14.277 ( 0.928 0.065 4.336) 4.434 14.541 ( -1.110 -2.583 5.731) 6.383 14.585 ( 6.292 -3.018 -4.457) 8.280 14.873 ( -0.093 -2.339 2.171) 3.193 14.950 ( -2.535 4.581 6.177) 8.097 15.338 ( -7.924 4.139 -0.377) 8.947 15.414 ( 7.792 6.271 11.241) 15.046 16.140 ( -3.714 -1.808 -1.255) 4.317 16.685 ( 0.868 9.534 8.517) 12.814 16.962 ( 3.940 -3.377 -2.757) 5.876 17.109 ( -5.513 -1.321 -0.363) 5.681 17.419 ( 2.562 0.998 0.082) 2.751 17.550 ( -5.556 6.950 -2.705) 9.300 17.711 ( -4.288 -2.751 2.070) 5.499 17.886 ( 5.837 4.162 -9.186) 11.652 18.290 ( -2.923 1.175 1.815) 3.636 18.389 ( 9.087 -6.865 2.885) 11.748 18.519 ( 9.442 -5.034 -2.789) 11.058 18.757 ( 11.689 0.040 7.285) 13.773 19.017 ( 0.047 -9.601 10.395) 14.150 19.888 ( -16.142 1.786 -11.018) 19.625 20.177 ( -10.095 8.845 -3.093) 13.774 20.597 ( 15.750 -7.331 -9.972) 20.030 21.323 ( -7.029 -12.140 0.441) 14.035 ======================= Grid point 42 (18/72) ======================= q-point: ( 0.40 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 23.811 5.252 14.759) 28.502 1.850 ( 19.602 13.572 26.835) 35.897 2.107 ( -19.589 1.970 10.878) 22.493 2.276 ( -19.948 8.732 21.206) 30.395 2.742 ( 20.686 23.264 14.465) 34.327 2.863 ( 3.492 14.567 8.586) 17.266 3.110 ( 11.567 7.486 3.590) 14.239 3.309 ( 0.817 -7.718 4.345) 8.895 3.436 ( 1.421 -2.562 3.377) 4.471 3.550 ( -2.398 -7.871 9.509) 12.575 3.730 ( -10.045 1.281 4.051) 10.907 3.831 ( -13.780 -6.131 3.508) 15.485 3.994 ( 2.520 -1.173 1.312) 3.074 4.084 ( -5.390 -0.633 1.321) 5.586 4.367 ( 7.118 -2.267 -2.358) 7.834 4.579 ( -5.183 -4.452 -3.981) 7.908 4.794 ( 3.375 -6.384 -4.059) 8.284 4.868 ( -3.788 -4.746 -6.045) 8.568 5.075 ( 2.463 -1.018 -4.750) 5.447 5.173 ( -1.310 -7.040 -5.632) 9.110 5.270 ( -0.784 -5.213 -2.876) 6.005 5.362 ( -4.167 -5.394 1.719) 7.030 5.634 ( 4.062 2.317 -4.971) 6.825 5.828 ( -5.088 2.418 -2.405) 6.125 6.138 ( 2.333 2.985 -1.126) 3.953 6.200 ( 1.024 1.743 0.083) 2.024 6.215 ( 3.884 3.277 1.090) 5.197 6.305 ( -1.316 -0.254 0.693) 1.509 6.416 ( 0.839 1.578 4.463) 4.807 6.542 ( -7.382 -0.047 5.126) 8.988 6.799 ( 8.425 -2.681 -0.558) 8.859 6.966 ( -0.696 -3.116 -1.549) 3.549 7.028 ( 1.606 -2.307 0.438) 2.845 7.213 ( -4.370 -0.859 -3.766) 5.833 7.301 ( 6.720 -1.402 -5.752) 8.956 7.425 ( -1.307 -0.700 -4.894) 5.113 7.543 ( 2.386 0.672 -3.695) 4.449 7.613 ( -2.639 -1.831 -2.269) 3.933 7.832 ( -0.311 0.722 -1.282) 1.504 7.944 ( -0.800 -0.226 -0.587) 1.018 8.039 ( -0.795 -0.410 -0.989) 1.334 8.173 ( 0.773 -1.632 -3.258) 3.725 8.272 ( 1.068 0.741 -2.225) 2.577 8.338 ( -2.201 -1.278 2.160) 3.338 8.463 ( -1.486 -3.483 -2.694) 4.647 8.511 ( 0.445 -2.876 1.439) 3.247 8.570 ( -1.133 -0.276 5.590) 5.711 8.710 ( -0.354 1.899 -2.909) 3.492 8.762 ( 1.890 -2.526 -3.306) 4.570 8.784 ( -0.901 2.283 -0.841) 2.595 8.913 ( -3.043 0.266 -1.072) 3.237 8.988 ( 1.532 -3.333 -0.695) 3.733 9.072 ( -2.441 0.830 1.954) 3.235 9.195 ( -2.691 8.260 6.851) 11.064 9.315 ( 4.000 -3.379 -1.371) 5.413 9.387 ( 0.129 -2.675 -1.962) 3.320 9.525 ( 2.875 1.740 1.200) 3.569 9.638 ( -4.779 1.522 -2.141) 5.453 9.939 ( 6.255 8.879 -5.503) 12.176 10.009 ( -0.804 1.518 -3.665) 4.048 10.138 ( 3.718 -9.465 -7.584) 12.686 10.213 ( -2.096 -1.828 -5.223) 5.917 10.269 ( 2.071 -0.785 -4.747) 5.238 10.409 ( -4.356 8.018 -2.087) 9.360 10.486 ( 0.111 -9.110 -6.404) 11.136 10.647 ( -0.919 -1.148 -1.871) 2.379 10.705 ( 6.802 -0.937 -2.827) 7.426 10.748 ( 1.920 2.581 -1.866) 3.719 10.844 ( -2.789 2.094 -0.903) 3.603 10.927 ( -5.551 3.396 2.867) 7.111 10.987 ( 1.766 -1.742 -2.822) 3.757 11.078 ( -4.837 -0.993 -5.207) 7.176 11.240 ( 3.308 -2.969 -6.493) 7.868 11.371 ( 0.250 4.494 -5.697) 7.260 11.429 ( -0.034 0.254 -1.695) 1.714 11.486 ( -0.274 2.668 -5.058) 5.726 11.701 ( -0.596 2.793 -2.401) 3.731 11.732 ( -2.600 3.748 -7.919) 9.139 11.856 ( -2.327 3.281 -11.578) 12.257 11.985 ( 0.006 7.959 3.421) 8.663 12.189 ( 2.677 2.018 -3.769) 5.044 12.267 ( -3.449 3.559 -3.898) 6.305 12.400 ( 3.504 0.137 2.094) 4.085 12.479 ( -3.384 2.841 -1.314) 4.610 12.620 ( 10.920 -3.059 -4.705) 12.277 12.670 ( 4.205 -0.580 -1.745) 4.589 12.781 ( -1.756 -2.498 -3.064) 4.325 12.928 ( -5.999 -2.263 -5.024) 8.146 13.219 ( -0.616 -6.748 12.984) 14.646 13.338 ( 0.148 3.928 13.400) 13.965 13.433 ( -0.875 -4.632 12.378) 13.246 13.516 ( -6.219 1.459 9.535) 11.477 13.693 ( 2.835 2.309 9.915) 10.567 13.777 ( -4.176 0.421 19.768) 20.208 13.982 ( -0.358 6.873 5.030) 8.524 14.024 ( -3.009 7.005 9.296) 12.022 14.456 ( 11.414 -1.428 0.447) 11.512 14.598 ( 5.347 -1.777 -2.303) 6.087 14.702 ( 1.741 -1.943 -5.951) 6.497 14.800 ( -6.549 -4.350 1.814) 8.068 14.938 ( 1.190 6.221 1.592) 6.531 15.075 ( -10.740 5.652 -4.958) 13.110 15.690 ( 14.276 0.531 15.245) 20.892 15.981 ( -10.994 -1.476 8.769) 14.141 16.767 ( 6.712 10.386 0.795) 12.392 16.925 ( -6.845 5.436 -1.637) 8.893 17.088 ( 3.694 -1.637 2.514) 4.759 17.289 ( -9.766 1.937 0.714) 9.981 17.526 ( 2.839 0.760 5.523) 6.256 17.610 ( -3.978 -0.254 6.583) 7.696 18.084 ( 8.110 0.954 -9.089) 12.218 18.224 ( -3.501 1.011 -5.509) 6.605 18.561 ( 5.817 -8.910 6.993) 12.733 18.779 ( 3.792 -5.556 5.604) 8.756 18.847 ( 9.748 -7.730 0.801) 12.467 19.088 ( -1.874 -14.739 -1.782) 14.964 19.654 ( -0.526 13.708 -8.188) 15.976 19.899 ( -14.562 11.612 -2.764) 18.829 20.900 ( 12.764 -9.158 -9.330) 18.271 21.144 ( -9.814 -10.266 -5.834) 15.354 ======================= Grid point 45 (19/72) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.000 27.692 10.692) 29.684 1.800 ( 0.000 31.501 20.075) 37.354 2.448 ( 0.000 -14.487 1.099) 14.529 2.718 ( 0.000 41.352 25.695) 48.685 2.822 ( 0.000 17.408 9.896) 20.025 2.906 ( 0.000 -14.837 10.176) 17.991 3.013 ( 0.000 -3.486 12.823) 13.289 3.152 ( 0.000 3.867 17.531) 17.952 3.353 ( 0.000 -1.387 7.500) 7.627 3.558 ( 0.000 9.505 2.761) 9.898 3.826 ( 0.000 -1.995 4.134) 4.590 3.972 ( 0.000 -18.676 1.320) 18.723 4.031 ( 0.000 3.389 0.835) 3.490 4.063 ( 0.000 -4.259 0.262) 4.267 4.276 ( 0.000 -6.732 0.151) 6.733 4.450 ( 0.000 -15.300 -2.400) 15.487 4.747 ( 0.000 2.209 -7.702) 8.012 4.875 ( 0.000 -9.152 0.927) 9.199 4.955 ( 0.000 2.985 0.419) 3.014 5.032 ( 0.000 -11.239 -3.236) 11.696 5.230 ( 0.000 -1.526 -2.695) 3.097 5.554 ( 0.000 -0.398 -6.176) 6.189 5.562 ( 0.000 4.289 -3.834) 5.753 5.717 ( 0.000 -13.785 -5.641) 14.895 6.062 ( 0.000 -1.981 0.408) 2.022 6.069 ( 0.000 0.832 0.468) 0.954 6.243 ( 0.000 5.139 -0.395) 5.154 6.304 ( 0.000 1.693 -3.491) 3.880 6.479 ( 0.000 -1.007 -2.761) 2.939 6.530 ( 0.000 -3.201 2.099) 3.828 6.649 ( 0.000 8.986 -0.116) 8.987 6.989 ( 0.000 1.525 -0.535) 1.616 7.128 ( 0.000 5.425 1.272) 5.572 7.214 ( 0.000 -1.993 -0.509) 2.057 7.276 ( 0.000 -0.208 1.920) 1.932 7.448 ( 0.000 3.931 -2.602) 4.715 7.506 ( 0.000 0.007 0.058) 0.058 7.699 ( 0.000 -4.270 -1.882) 4.667 7.796 ( 0.000 4.437 0.070) 4.438 7.988 ( 0.000 0.123 -3.014) 3.016 8.079 ( 0.000 -10.152 -0.037) 10.152 8.093 ( 0.000 -0.034 1.364) 1.364 8.177 ( 0.000 -4.943 -8.434) 9.775 8.368 ( 0.000 8.248 -2.793) 8.708 8.416 ( 0.000 -4.656 -4.493) 6.470 8.512 ( 0.000 -7.108 -0.509) 7.126 8.578 ( 0.000 -2.765 -1.385) 3.093 8.608 ( 0.000 -3.458 -4.995) 6.075 8.721 ( 0.000 -2.303 0.442) 2.345 8.795 ( 0.000 1.783 -1.396) 2.265 8.949 ( 0.000 5.949 1.363) 6.103 8.952 ( 0.000 -7.149 1.021) 7.221 9.134 ( 0.000 -0.240 -0.443) 0.504 9.258 ( 0.000 10.484 -9.681) 14.270 9.271 ( 0.000 10.700 -1.082) 10.755 9.483 ( 0.000 -4.776 0.590) 4.812 9.599 ( 0.000 0.971 -4.298) 4.406 9.737 ( 0.000 -5.278 0.684) 5.322 9.833 ( 0.000 -3.688 -11.404) 11.986 9.921 ( 0.000 4.765 -5.120) 6.994 10.024 ( 0.000 -2.751 0.460) 2.790 10.039 ( 0.000 -3.277 1.130) 3.466 10.237 ( 0.000 -0.483 6.927) 6.944 10.451 ( 0.000 -0.019 -8.871) 8.871 10.633 ( 0.000 0.848 -6.556) 6.611 10.635 ( 0.000 -2.155 -2.769) 3.509 10.771 ( 0.000 -4.868 -1.809) 5.194 10.783 ( 0.000 2.448 -4.461) 5.089 10.868 ( 0.000 -3.296 -2.446) 4.104 10.876 ( 0.000 -2.343 -5.840) 6.292 11.114 ( 0.000 2.565 8.275) 8.663 11.147 ( 0.000 3.509 3.605) 5.031 11.212 ( 0.000 4.339 1.880) 4.728 11.280 ( 0.000 3.876 -9.944) 10.673 11.467 ( 0.000 -1.045 -14.098) 14.137 11.581 ( 0.000 -8.466 -3.309) 9.090 11.798 ( 0.000 8.870 -0.306) 8.875 11.864 ( 0.000 4.352 -13.633) 14.310 11.992 ( 0.000 -0.623 -7.486) 7.512 12.095 ( 0.000 3.066 -9.399) 9.886 12.182 ( 0.000 7.617 1.918) 7.855 12.213 ( 0.000 -3.693 1.552) 4.006 12.280 ( 0.000 3.881 -0.637) 3.933 12.468 ( 0.000 -1.581 -5.677) 5.893 12.501 ( 0.000 -1.512 1.642) 2.233 12.697 ( 0.000 -4.395 3.408) 5.561 12.926 ( 0.000 8.791 -10.347) 13.577 13.082 ( 0.000 7.455 -5.911) 9.514 13.255 ( 0.000 -4.405 18.647) 19.160 13.267 ( 0.000 -3.387 6.067) 6.948 13.541 ( 0.000 0.943 6.276) 6.346 13.580 ( 0.000 2.311 9.172) 9.459 13.784 ( 0.000 6.097 8.583) 10.528 13.906 ( 0.000 -0.589 7.895) 7.917 13.931 ( 0.000 -1.429 8.282) 8.405 14.076 ( 0.000 -6.209 11.063) 12.686 14.283 ( 0.000 -3.240 1.426) 3.540 14.314 ( 0.000 -7.464 11.171) 13.435 14.631 ( 0.000 1.785 3.732) 4.137 14.768 ( 0.000 -3.490 -7.288) 8.081 15.181 ( 0.000 11.266 11.370) 16.006 15.360 ( 0.000 4.313 6.566) 7.856 15.681 ( 0.000 10.871 -8.199) 13.616 16.082 ( 0.000 -6.830 -7.635) 10.244 16.868 ( 0.000 0.309 -8.827) 8.832 16.905 ( 0.000 8.490 10.639) 13.612 17.080 ( 0.000 -1.947 1.284) 2.332 17.407 ( 0.000 1.606 6.426) 6.624 17.624 ( 0.000 -3.859 1.613) 4.182 17.881 ( 0.000 8.551 -6.543) 10.767 17.952 ( 0.000 0.105 -7.550) 7.551 18.092 ( 0.000 -5.240 -0.218) 5.244 18.244 ( 0.000 -4.650 -1.606) 4.920 18.488 ( 0.000 0.249 10.590) 10.593 18.562 ( 0.000 2.086 9.095) 9.331 18.794 ( 0.000 -12.967 7.678) 15.070 20.143 ( 0.000 -0.929 -8.862) 8.910 20.202 ( 0.000 -2.818 -12.266) 12.586 20.535 ( 0.000 13.387 -0.563) 13.399 21.123 ( 0.000 -14.186 3.440) 14.597 ======================= Grid point 46 (20/72) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 9.958 25.613 11.539) 29.805 1.938 ( 11.221 26.866 21.127) 35.973 2.490 ( -2.213 -9.341 3.051) 10.073 2.700 ( -3.264 10.018 7.114) 12.713 2.826 ( -7.087 5.189 19.189) 21.104 2.905 ( 12.369 27.966 18.484) 35.732 2.993 ( 4.412 -8.091 9.187) 13.013 3.225 ( 3.927 0.331 12.961) 13.547 3.371 ( 0.423 3.810 6.672) 7.695 3.547 ( -1.379 2.065 4.017) 4.722 3.717 ( -8.202 -3.087 5.075) 10.127 3.972 ( -0.325 -3.218 -1.770) 3.687 4.039 ( -1.456 -3.378 1.068) 3.830 4.089 ( 3.544 -8.039 1.425) 8.901 4.271 ( -2.267 -5.284 0.199) 5.754 4.451 ( 0.790 -11.197 -1.117) 11.280 4.666 ( -6.492 -1.687 -6.313) 9.211 4.871 ( -2.197 -4.745 0.952) 5.315 4.955 ( 0.899 -3.933 0.434) 4.057 5.013 ( -0.933 -9.062 -3.555) 9.779 5.223 ( -0.403 -0.600 -1.841) 1.978 5.449 ( -5.038 2.281 -3.112) 6.346 5.623 ( 1.420 1.937 -7.236) 7.624 5.759 ( 3.023 -11.571 -4.835) 12.900 6.090 ( 3.125 -2.336 1.556) 4.201 6.115 ( 3.881 2.039 0.607) 4.426 6.265 ( 2.080 5.270 0.370) 5.678 6.309 ( 0.389 2.268 -2.979) 3.764 6.525 ( -0.437 -0.758 1.509) 1.745 6.559 ( 4.305 -2.680 -2.061) 5.474 6.629 ( -0.143 5.209 -0.962) 5.299 6.988 ( -0.630 -1.557 -1.253) 2.095 7.103 ( -4.935 5.683 0.847) 7.574 7.125 ( -3.906 0.133 -0.721) 3.974 7.286 ( 2.766 -3.317 -1.660) 4.627 7.415 ( -3.949 -2.218 1.099) 4.660 7.552 ( 1.927 2.468 -3.735) 4.874 7.650 ( -1.433 1.828 -2.356) 3.308 7.843 ( 2.201 1.679 -0.955) 2.929 7.966 ( -0.595 -0.457 -5.387) 5.439 8.023 ( -1.570 -2.883 0.039) 3.283 8.160 ( -0.923 2.427 -1.646) 3.074 8.204 ( 3.110 -7.210 2.568) 8.261 8.285 ( -1.767 -2.307 -2.905) 4.109 8.418 ( -1.824 -2.892 -3.627) 4.985 8.501 ( -2.047 -5.924 -0.924) 6.336 8.559 ( -4.005 -3.478 -4.327) 6.846 8.636 ( 4.085 -1.276 -0.838) 4.361 8.783 ( 3.459 -0.238 -1.165) 3.658 8.817 ( 2.143 2.474 -1.697) 3.687 8.936 ( -0.861 1.869 -1.844) 2.763 9.009 ( 3.891 -0.340 0.514) 3.939 9.043 ( -6.854 6.887 -4.940) 10.900 9.177 ( 3.286 -2.081 0.166) 3.893 9.355 ( -2.250 1.290 0.664) 2.677 9.499 ( 0.275 8.021 -1.735) 8.211 9.562 ( -3.726 -7.356 -2.745) 8.691 9.717 ( -4.006 -5.092 -6.460) 9.150 9.779 ( 1.476 1.029 -0.658) 1.916 9.973 ( -0.337 -5.375 -4.834) 7.236 10.050 ( 5.020 -1.436 -1.687) 5.487 10.142 ( 5.472 3.787 0.034) 6.654 10.178 ( 2.072 0.644 0.446) 2.215 10.431 ( -4.639 2.030 -5.954) 7.816 10.593 ( -0.223 -0.285 -6.622) 6.632 10.656 ( -1.748 0.391 -3.987) 4.371 10.744 ( -0.403 2.231 -3.779) 4.406 10.794 ( -0.565 3.208 -5.078) 6.033 10.864 ( -0.077 -5.100 -0.200) 5.104 10.950 ( 5.928 -0.984 -3.431) 6.920 11.062 ( -4.560 2.004 0.641) 5.022 11.156 ( 0.167 0.615 5.803) 5.838 11.199 ( -0.663 4.395 -1.843) 4.812 11.314 ( 2.567 1.975 -5.753) 6.602 11.453 ( -1.040 -3.782 -8.616) 9.467 11.579 ( -0.589 -3.086 -5.948) 6.726 11.758 ( -2.304 7.126 -7.930) 10.908 11.889 ( 0.097 0.051 -3.793) 3.794 11.935 ( -1.341 8.492 -8.345) 11.982 12.135 ( -1.656 1.768 0.701) 2.522 12.198 ( 1.603 1.381 -0.813) 2.267 12.263 ( 6.168 0.109 -0.106) 6.170 12.315 ( 2.615 0.516 -1.238) 2.939 12.387 ( -1.811 -0.927 -2.595) 3.297 12.531 ( 0.096 -3.564 -1.830) 4.008 12.626 ( -5.336 -4.652 3.029) 7.700 12.892 ( -2.445 9.281 -8.774) 13.004 13.026 ( -5.768 0.854 -1.543) 6.032 13.210 ( -2.300 -1.098 10.872) 11.166 13.342 ( 3.826 -0.391 9.749) 10.480 13.494 ( -1.991 3.265 5.918) 7.046 13.642 ( -1.895 -0.399 16.627) 16.739 13.738 ( 0.654 5.042 5.593) 7.559 13.833 ( -1.600 -0.331 9.072) 9.218 13.998 ( 3.040 0.746 4.581) 5.548 14.162 ( 3.689 -1.011 6.274) 7.348 14.272 ( -1.053 -0.540 3.987) 4.158 14.399 ( 6.723 -7.572 8.622) 13.300 14.544 ( 1.458 -1.651 -5.172) 5.621 14.827 ( -0.152 -1.872 -0.188) 1.887 15.113 ( -4.277 8.281 4.017) 10.149 15.426 ( -2.382 4.668 3.582) 6.348 15.530 ( -4.128 3.924 0.772) 5.748 16.101 ( -1.903 -1.869 2.891) 3.934 16.892 ( 2.981 2.229 -1.807) 4.137 16.957 ( 4.593 8.180 -1.651) 9.526 17.097 ( 1.210 1.419 0.906) 2.073 17.444 ( 2.744 1.082 5.311) 6.075 17.585 ( -3.722 -1.866 1.935) 4.591 17.731 ( -11.283 2.906 -5.658) 12.952 17.977 ( 6.065 3.826 -1.788) 7.390 18.230 ( 5.218 -7.142 1.213) 8.928 18.297 ( 4.125 -1.780 -2.012) 4.923 18.440 ( 2.108 1.096 3.552) 4.274 18.695 ( 4.939 -6.424 10.323) 13.123 18.775 ( -0.307 -12.391 5.695) 13.640 19.984 ( -6.359 7.180 -11.872) 15.262 20.362 ( 0.445 1.400 -4.157) 4.409 20.478 ( 1.802 3.258 -5.856) 6.939 21.051 ( -6.257 -14.115 1.339) 15.498 ======================= Grid point 47 (21/72) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 16.411 17.937 10.926) 26.654 2.193 ( 5.444 16.865 19.135) 26.081 2.252 ( -8.651 12.416 11.630) 19.085 2.510 ( -13.435 13.645 20.140) 27.790 2.939 ( 11.408 -6.056 4.448) 13.660 3.035 ( 4.215 -11.996 5.512) 13.858 3.197 ( 1.724 -3.881 12.423) 13.129 3.278 ( -5.882 5.700 7.051) 10.808 3.445 ( 13.163 14.364 5.242) 20.176 3.513 ( 2.833 -8.757 4.808) 10.384 3.585 ( -1.186 12.350 6.013) 13.787 3.897 ( -12.524 3.138 1.595) 13.009 3.997 ( 0.103 2.164 0.553) 2.236 4.138 ( -5.625 1.498 1.336) 5.973 4.161 ( 1.378 -10.679 -2.824) 11.132 4.471 ( -0.583 -6.642 3.168) 7.382 4.599 ( 2.943 -13.104 -2.690) 13.697 4.765 ( -6.694 -6.895 1.386) 9.709 4.974 ( 0.816 -7.163 -0.387) 7.220 5.014 ( 0.074 -6.408 -2.867) 7.021 5.244 ( 2.978 2.444 -1.571) 4.160 5.344 ( -4.892 5.429 -2.863) 7.849 5.644 ( 0.670 -2.174 -8.422) 8.724 5.805 ( 1.089 -5.370 -3.856) 6.700 6.163 ( 2.559 -0.361 -1.393) 2.936 6.215 ( 4.075 1.049 2.277) 4.785 6.287 ( 0.678 2.057 -0.945) 2.363 6.354 ( 1.683 5.558 -0.305) 5.815 6.468 ( -0.705 2.966 2.696) 4.070 6.578 ( -4.560 2.588 3.957) 6.569 6.700 ( 5.840 -5.317 -2.508) 8.286 6.903 ( -6.754 -5.966 -0.396) 9.021 7.001 ( 0.976 1.876 -2.435) 3.225 7.172 ( -2.274 -1.510 -0.550) 2.785 7.267 ( 4.412 -1.517 -4.917) 6.778 7.401 ( -1.888 -1.905 -4.146) 4.938 7.509 ( -2.270 -4.069 -4.710) 6.625 7.678 ( 1.430 7.928 -3.056) 8.616 7.870 ( 1.149 2.056 -4.132) 4.756 7.969 ( -0.291 2.264 -1.547) 2.758 8.025 ( 1.606 -0.962 1.412) 2.345 8.100 ( -2.686 -1.589 -1.289) 3.377 8.242 ( -0.055 -8.464 2.189) 8.742 8.277 ( -0.894 -0.568 -2.420) 2.642 8.388 ( -0.995 -3.605 -2.404) 4.446 8.434 ( -1.387 -5.554 0.856) 5.788 8.505 ( -1.047 -3.862 0.119) 4.003 8.709 ( 2.442 -2.334 0.585) 3.429 8.770 ( -2.007 -0.710 -2.527) 3.305 8.846 ( -2.531 10.069 -12.108) 15.950 8.949 ( 5.216 0.592 -0.655) 5.291 8.999 ( 0.520 4.254 0.954) 4.390 9.091 ( 0.873 2.447 -0.032) 2.598 9.220 ( 0.730 -5.928 -0.132) 5.974 9.297 ( -2.630 -2.638 0.374) 3.744 9.449 ( -2.722 4.730 3.065) 6.259 9.520 ( 2.012 2.270 -3.327) 4.502 9.641 ( -4.139 -3.317 -1.974) 5.659 9.827 ( 2.622 -6.042 0.811) 6.636 9.937 ( -1.822 -9.212 -3.729) 10.104 10.150 ( 3.721 -0.339 -4.299) 5.696 10.206 ( 0.417 4.378 -3.334) 5.519 10.268 ( 0.794 -0.031 -4.879) 4.944 10.438 ( 7.441 8.359 -10.087) 15.066 10.568 ( -2.098 -5.155 1.255) 5.705 10.629 ( -3.303 7.057 -2.405) 8.154 10.726 ( 2.228 3.049 -6.059) 7.140 10.791 ( -0.674 -0.494 -7.421) 7.468 10.861 ( 1.137 0.555 -1.425) 1.905 10.959 ( -4.091 1.966 -6.925) 8.280 11.050 ( 1.878 2.209 -1.723) 3.373 11.104 ( -4.299 2.903 -0.047) 5.187 11.189 ( 0.150 1.440 0.805) 1.657 11.344 ( -0.363 -2.966 -2.120) 3.664 11.471 ( 2.840 -2.394 -4.170) 5.584 11.545 ( -1.976 4.925 -4.638) 7.048 11.739 ( -0.472 1.722 -7.915) 8.114 11.864 ( 0.852 5.464 -6.199) 8.307 11.925 ( -2.561 4.812 -4.153) 6.853 12.090 ( -0.930 1.746 6.099) 6.411 12.242 ( 1.226 3.077 -3.431) 4.769 12.313 ( 2.504 0.950 -3.060) 4.067 12.390 ( 3.153 -0.682 6.007) 6.818 12.480 ( 0.547 -3.331 0.333) 3.392 12.515 ( 2.305 -6.025 -0.674) 6.486 12.576 ( 2.051 -6.101 -1.498) 6.608 12.757 ( -6.905 -7.346 -4.694) 11.121 12.940 ( -4.205 8.029 -4.915) 10.311 13.118 ( -3.594 0.166 11.835) 12.370 13.411 ( 1.370 1.463 5.444) 5.802 13.467 ( 0.099 1.080 8.883) 8.949 13.553 ( -2.923 6.357 15.884) 17.357 13.779 ( -0.485 2.460 11.783) 12.047 13.835 ( 2.212 7.036 9.007) 11.642 14.046 ( 1.399 1.163 0.201) 1.830 14.119 ( -3.291 2.293 3.855) 5.563 14.376 ( 6.445 -8.783 1.542) 11.003 14.570 ( 8.424 -0.970 1.730) 8.654 14.656 ( 5.634 -0.866 -3.278) 6.576 14.748 ( -6.306 -0.698 3.346) 7.173 15.051 ( -0.954 3.084 -1.870) 3.731 15.155 ( -12.551 3.063 -10.206) 16.464 15.691 ( 10.894 -0.441 18.102) 21.132 15.955 ( -10.358 -0.746 15.004) 18.248 17.009 ( 5.692 4.383 -5.297) 8.926 17.046 ( 2.598 9.331 -3.636) 10.346 17.127 ( 3.016 8.441 0.249) 8.967 17.380 ( -10.270 5.654 -6.952) 13.630 17.523 ( 1.435 -0.591 7.677) 7.833 17.605 ( -1.862 0.247 4.749) 5.107 18.096 ( 3.898 -0.782 0.597) 4.020 18.249 ( -0.996 -0.163 2.063) 2.297 18.386 ( 2.934 -5.507 -1.789) 6.492 18.587 ( 7.339 -8.195 -1.601) 11.117 18.695 ( 0.381 -9.076 8.009) 12.111 18.789 ( -2.652 -13.522 3.518) 14.222 19.942 ( 2.526 13.935 -9.773) 17.207 20.180 ( -9.874 14.995 -2.485) 18.125 20.670 ( 10.531 -12.363 -7.000) 17.684 20.883 ( -9.189 -14.299 -2.930) 17.248 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.000 -23.990 5.568) 24.628 2.018 ( 0.000 23.990 5.568) 24.628 2.431 ( 0.000 -27.710 13.536) 30.839 2.431 ( 0.000 27.710 13.536) 30.839 2.989 ( 0.000 -1.440 17.236) 17.296 2.989 ( 0.000 1.440 17.236) 17.296 3.295 ( 0.000 -10.463 7.306) 12.762 3.295 ( 0.000 10.463 7.306) 12.762 3.552 ( 0.000 -20.145 5.998) 21.020 3.552 ( 0.000 20.145 5.998) 21.020 3.740 ( 0.000 -24.334 2.337) 24.446 3.740 ( 0.000 24.334 2.337) 24.446 4.026 ( 0.000 -16.051 5.870) 17.091 4.026 ( 0.000 16.051 5.870) 17.091 4.139 ( 0.000 -7.796 2.736) 8.262 4.139 ( 0.000 7.796 2.736) 8.262 4.819 ( 0.000 -4.945 -4.979) 7.017 4.819 ( 0.000 4.945 -4.979) 7.017 4.941 ( 0.000 -3.945 -0.736) 4.013 4.941 ( 0.000 3.945 -0.736) 4.013 5.314 ( 0.000 -11.296 -4.351) 12.105 5.314 ( 0.000 11.296 -4.351) 12.105 5.653 ( 0.000 -2.369 -6.456) 6.877 5.653 ( 0.000 2.369 -6.456) 6.877 6.050 ( 0.000 -0.854 2.010) 2.184 6.050 ( 0.000 0.854 2.010) 2.184 6.315 ( 0.000 -1.171 -2.705) 2.948 6.315 ( 0.000 1.171 -2.705) 2.948 6.477 ( 0.000 -1.370 -1.426) 1.977 6.477 ( 0.000 1.370 -1.426) 1.977 6.871 ( 0.000 -10.831 -2.506) 11.117 6.871 ( 0.000 10.831 -2.506) 11.117 7.198 ( 0.000 -1.354 1.603) 2.098 7.198 ( 0.000 1.354 1.603) 2.098 7.365 ( 0.000 -7.720 1.017) 7.787 7.365 ( 0.000 7.720 1.017) 7.787 7.600 ( 0.000 -5.283 -1.371) 5.458 7.600 ( 0.000 5.283 -1.371) 5.458 7.878 ( 0.000 -6.767 0.376) 6.778 7.878 ( 0.000 6.767 0.376) 6.778 8.037 ( 0.000 -6.614 -5.430) 8.558 8.037 ( 0.000 6.614 -5.430) 8.558 8.275 ( 0.000 -11.552 -2.738) 11.872 8.275 ( 0.000 11.552 -2.738) 11.872 8.432 ( 0.000 -0.737 -3.384) 3.464 8.432 ( 0.000 0.737 -3.384) 3.464 8.564 ( 0.000 -0.976 -3.026) 3.180 8.564 ( 0.000 0.976 -3.026) 3.180 8.746 ( 0.000 -4.781 1.121) 4.910 8.746 ( 0.000 4.781 1.121) 4.910 8.953 ( 0.000 -4.017 -1.729) 4.373 8.953 ( 0.000 4.017 -1.729) 4.373 9.238 ( 0.000 -9.659 4.126) 10.503 9.238 ( 0.000 9.659 4.126) 10.503 9.494 ( 0.000 -7.731 -11.746) 14.062 9.494 ( 0.000 7.731 -11.746) 14.062 9.605 ( 0.000 -1.140 -1.852) 2.175 9.605 ( 0.000 1.140 -1.852) 2.175 9.827 ( 0.000 -5.720 -5.879) 8.203 9.827 ( 0.000 5.720 -5.879) 8.203 10.014 ( 0.000 -0.117 0.763) 0.772 10.014 ( 0.000 0.117 0.763) 0.772 10.342 ( 0.000 -7.128 -0.617) 7.154 10.342 ( 0.000 7.128 -0.617) 7.154 10.640 ( 0.000 -2.116 -2.358) 3.168 10.640 ( 0.000 2.116 -2.358) 3.168 10.740 ( 0.000 -3.733 -0.690) 3.796 10.740 ( 0.000 3.733 -0.690) 3.796 10.861 ( 0.000 -0.355 -5.258) 5.270 10.861 ( 0.000 0.355 -5.258) 5.270 11.151 ( 0.000 -1.128 8.764) 8.836 11.151 ( 0.000 1.128 8.764) 8.836 11.336 ( 0.000 -1.938 -8.925) 9.132 11.336 ( 0.000 1.938 -8.925) 9.132 11.436 ( 0.000 -1.758 -5.968) 6.221 11.436 ( 0.000 1.758 -5.968) 6.221 11.899 ( 0.000 -0.368 -4.989) 5.002 11.899 ( 0.000 0.368 -4.989) 5.002 12.055 ( 0.000 -6.466 -7.294) 9.747 12.055 ( 0.000 6.466 -7.294) 9.747 12.237 ( 0.000 -4.215 -4.742) 6.344 12.237 ( 0.000 4.215 -4.742) 6.344 12.372 ( 0.000 -6.952 -1.183) 7.052 12.372 ( 0.000 6.952 -1.183) 7.052 12.557 ( 0.000 -6.564 6.361) 9.140 12.557 ( 0.000 6.564 6.361) 9.140 13.110 ( 0.000 -6.487 -9.122) 11.194 13.110 ( 0.000 6.487 -9.122) 11.194 13.216 ( 0.000 -0.149 3.084) 3.088 13.216 ( 0.000 0.149 3.084) 3.088 13.577 ( 0.000 -1.084 16.359) 16.395 13.577 ( 0.000 1.084 16.359) 16.395 13.895 ( 0.000 -2.377 10.694) 10.955 13.895 ( 0.000 2.377 10.694) 10.955 13.944 ( 0.000 -2.751 7.718) 8.193 13.944 ( 0.000 2.751 7.718) 8.193 14.239 ( 0.000 -0.002 5.833) 5.833 14.239 ( 0.000 0.002 5.833) 5.833 14.693 ( 0.000 -2.337 -3.311) 4.053 14.693 ( 0.000 2.337 -3.311) 4.053 15.360 ( 0.000 -4.077 6.879) 7.996 15.360 ( 0.000 4.077 6.879) 7.996 15.903 ( 0.000 -8.502 -9.004) 12.384 15.903 ( 0.000 8.502 -9.004) 12.384 16.895 ( 0.000 -2.533 -4.005) 4.739 16.895 ( 0.000 2.533 -4.005) 4.739 17.265 ( 0.000 -12.489 11.664) 17.089 17.265 ( 0.000 12.489 11.664) 17.089 17.740 ( 0.000 -12.059 -2.882) 12.399 17.740 ( 0.000 12.059 -2.882) 12.399 18.018 ( 0.000 -2.211 -3.395) 4.052 18.018 ( 0.000 2.211 -3.395) 4.052 18.373 ( 0.000 -11.459 4.009) 12.140 18.373 ( 0.000 11.459 4.009) 12.140 18.610 ( 0.000 -3.791 8.391) 9.208 18.610 ( 0.000 3.791 8.391) 9.208 20.154 ( 0.000 -1.082 -11.495) 11.546 20.154 ( 0.000 1.082 -11.495) 11.546 20.826 ( 0.000 -14.714 1.511) 14.791 20.826 ( 0.000 14.714 1.511) 14.791 ======================= Grid point 52 (23/72) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 5.241 0.000 4.080) 6.642 2.132 ( 8.259 -0.000 7.756) 11.330 2.473 ( 5.200 -0.000 16.165) 16.981 2.518 ( 6.265 0.000 12.780) 14.233 2.863 ( -6.687 0.000 13.184) 14.783 2.990 ( -3.082 -0.000 18.068) 18.329 3.153 ( -7.295 0.000 5.597) 9.195 3.270 ( -5.294 0.000 10.813) 12.040 3.611 ( 6.394 0.000 1.496) 6.567 3.636 ( 1.592 -0.000 -0.837) 1.799 3.740 ( -0.773 0.000 1.241) 1.462 3.804 ( 7.965 0.000 10.828) 13.442 3.963 ( -3.670 0.000 3.100) 4.804 4.046 ( 0.104 0.000 6.071) 6.072 4.131 ( 2.105 0.000 2.113) 2.982 4.196 ( 3.091 0.000 5.384) 6.208 4.720 ( -8.775 0.000 -6.961) 11.201 4.763 ( -5.036 -0.000 -1.590) 5.281 4.907 ( -1.342 0.000 0.271) 1.369 4.974 ( 0.142 0.000 -0.871) 0.883 5.324 ( -0.032 -0.000 -3.451) 3.451 5.332 ( 3.149 0.000 -4.364) 5.381 5.644 ( -1.128 0.000 -7.324) 7.410 5.670 ( 1.350 -0.000 -5.661) 5.820 6.057 ( 2.931 0.000 1.598) 3.339 6.139 ( 5.948 0.000 2.848) 6.595 6.294 ( -0.300 0.000 -4.495) 4.505 6.371 ( 3.214 0.000 0.035) 3.214 6.489 ( 0.801 0.000 -0.007) 0.801 6.533 ( 3.764 0.000 -1.657) 4.113 6.775 ( -4.485 -0.000 -5.595) 7.170 6.870 ( -3.310 0.000 -0.005) 3.310 7.131 ( -5.068 0.000 -0.956) 5.157 7.227 ( 1.217 0.000 -0.309) 1.255 7.252 ( -5.381 -0.000 0.550) 5.409 7.341 ( -2.304 0.000 4.086) 4.691 7.575 ( -2.026 0.000 -5.552) 5.910 7.709 ( 5.964 0.000 -0.101) 5.965 7.883 ( 1.414 0.000 -2.433) 2.814 7.895 ( -0.650 -0.000 -4.023) 4.075 7.993 ( 2.226 0.000 -4.219) 4.770 8.116 ( 2.650 0.000 1.682) 3.138 8.228 ( -2.394 0.000 1.133) 2.649 8.276 ( -4.241 0.000 1.319) 4.441 8.350 ( -4.578 0.000 -3.108) 5.534 8.416 ( 1.063 0.000 -4.862) 4.977 8.529 ( -3.910 0.000 -4.795) 6.188 8.614 ( 3.473 0.000 -2.866) 4.503 8.815 ( 1.932 0.000 1.468) 2.427 8.835 ( 7.333 -0.000 -1.196) 7.430 8.920 ( 1.995 0.000 -4.023) 4.490 9.016 ( 2.506 0.000 -1.034) 2.711 9.184 ( -5.955 0.000 -11.125) 12.619 9.248 ( -2.923 -0.000 3.045) 4.221 9.273 ( -6.116 0.000 0.959) 6.191 9.413 ( -1.976 0.000 -0.056) 1.977 9.636 ( -3.932 0.000 -13.598) 14.155 9.642 ( 0.141 0.000 0.966) 0.976 9.823 ( -2.248 0.000 -0.302) 2.269 9.845 ( 1.382 -0.000 0.418) 1.444 10.003 ( 5.523 0.000 0.342) 5.534 10.131 ( 3.918 0.000 -2.129) 4.459 10.355 ( 9.087 0.000 -10.048) 13.547 10.462 ( -2.449 0.000 -3.394) 4.185 10.587 ( -4.731 0.000 -2.908) 5.553 10.621 ( 2.823 0.000 -2.716) 3.918 10.751 ( -1.687 -0.000 1.112) 2.020 10.752 ( 1.999 0.000 -3.875) 4.360 10.853 ( 1.517 0.000 -3.834) 4.123 10.951 ( 7.601 0.000 -0.544) 7.620 11.113 ( -3.309 0.000 0.946) 3.442 11.143 ( -0.503 0.000 8.370) 8.385 11.294 ( -5.871 0.000 -5.601) 8.114 11.296 ( -0.491 -0.000 -5.243) 5.266 11.411 ( 0.493 0.000 -7.564) 7.580 11.522 ( 3.994 0.000 -6.561) 7.681 11.856 ( -3.781 0.000 -11.394) 12.005 11.884 ( 0.122 0.000 -1.439) 1.444 12.096 ( -1.261 0.000 -2.595) 2.885 12.101 ( 3.023 -0.000 -4.367) 5.311 12.191 ( -2.216 0.000 -5.850) 6.256 12.256 ( 5.417 0.000 -0.253) 5.423 12.339 ( -2.142 0.000 2.728) 3.469 12.404 ( 1.329 0.000 -2.697) 3.007 12.506 ( -2.790 -0.000 5.516) 6.182 12.512 ( -3.492 0.000 2.600) 4.354 12.962 ( -12.759 0.000 -7.962) 15.040 13.135 ( 1.582 0.000 7.345) 7.513 13.148 ( -1.996 -0.000 -5.665) 6.006 13.331 ( 2.540 0.000 7.057) 7.500 13.514 ( -1.759 0.000 7.144) 7.357 13.699 ( 4.831 0.000 24.267) 24.743 13.794 ( -3.778 0.000 9.158) 9.907 13.808 ( 0.993 -0.000 4.666) 4.770 13.996 ( 4.929 0.000 1.301) 5.098 14.155 ( 3.429 0.000 2.443) 4.211 14.266 ( -1.834 0.000 5.969) 6.245 14.302 ( 10.639 0.000 7.692) 13.129 14.530 ( -1.455 0.000 -5.228) 5.427 14.805 ( 0.782 0.000 2.606) 2.721 15.207 ( -7.705 0.000 -1.250) 7.806 15.499 ( 7.225 0.000 14.976) 16.628 15.552 ( -17.848 0.000 -11.997) 21.505 16.080 ( 0.632 0.000 5.110) 5.149 16.897 ( 4.114 0.000 -7.386) 8.454 17.016 ( 7.201 0.000 -3.663) 8.079 17.200 ( 0.907 0.000 4.079) 4.178 17.416 ( 6.817 0.000 12.691) 14.406 17.633 ( -7.996 -0.000 -6.818) 10.508 17.704 ( -3.517 0.000 0.381) 3.538 18.012 ( 1.839 0.000 -2.474) 3.083 18.122 ( 5.009 0.000 -0.557) 5.040 18.389 ( 1.684 -0.000 2.610) 3.106 18.420 ( 3.418 0.000 2.597) 4.293 18.593 ( -0.526 0.000 8.178) 8.195 18.613 ( -0.538 0.000 7.398) 7.417 20.105 ( -0.396 0.000 -13.759) 13.764 20.272 ( 6.913 0.000 -6.806) 9.701 20.673 ( -9.942 0.000 -2.337) 10.212 20.809 ( -4.852 -0.000 2.704) 5.554 ======================= Grid point 54 (24/72) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 3.289 0.000 5.000) 5.985 2.290 ( 4.907 -0.000 8.988) 10.241 2.573 ( 1.433 -0.000 18.177) 18.233 2.673 ( 8.109 0.000 14.563) 16.668 2.801 ( 2.290 0.000 11.708) 11.930 2.856 ( -8.767 -0.000 16.045) 18.284 3.063 ( -1.122 -0.000 4.361) 4.503 3.132 ( -6.241 0.000 8.220) 10.321 3.635 ( -0.524 -0.000 1.816) 1.890 3.706 ( -0.112 0.000 2.846) 2.849 3.744 ( 3.078 -0.000 -3.141) 4.398 3.894 ( -2.301 -0.000 -1.289) 2.638 3.971 ( 4.454 0.000 6.791) 8.122 4.043 ( 0.292 0.000 4.577) 4.586 4.240 ( 8.172 -0.000 0.045) 8.172 4.294 ( 6.318 0.000 8.691) 10.745 4.483 ( -12.163 0.000 -1.087) 12.211 4.617 ( -7.948 0.000 2.901) 8.461 4.892 ( -0.183 0.000 -0.370) 0.413 4.944 ( -1.645 0.000 0.291) 1.670 5.332 ( 0.632 0.000 -4.692) 4.734 5.423 ( 4.075 0.000 -3.830) 5.593 5.602 ( -2.371 0.000 -8.381) 8.710 5.696 ( 0.769 -0.000 -4.734) 4.796 6.155 ( 5.622 0.000 -0.603) 5.655 6.262 ( -3.598 -0.000 -3.658) 5.131 6.279 ( 6.176 0.000 3.666) 7.182 6.431 ( 0.181 0.000 0.491) 0.524 6.516 ( 1.656 -0.000 1.262) 2.082 6.573 ( 2.440 0.000 1.675) 2.959 6.695 ( -4.566 0.000 -3.154) 5.549 6.782 ( -3.461 0.000 0.304) 3.474 7.030 ( -3.104 0.000 -4.196) 5.219 7.184 ( -2.896 -0.000 4.599) 5.435 7.241 ( 4.919 0.000 -5.355) 7.271 7.368 ( 2.544 -0.000 -1.585) 2.997 7.456 ( -8.133 0.000 -9.345) 12.389 7.816 ( 3.474 0.000 0.485) 3.508 7.900 ( 1.018 0.000 -7.347) 7.418 7.934 ( 3.856 -0.000 -2.328) 4.504 8.073 ( -7.326 0.000 1.267) 7.435 8.077 ( 3.773 -0.000 -0.099) 3.774 8.176 ( -2.476 0.000 5.521) 6.051 8.208 ( 0.398 0.000 3.631) 3.653 8.293 ( 0.349 0.000 -5.738) 5.748 8.405 ( -6.371 0.000 -4.913) 8.045 8.468 ( 1.922 0.000 -0.075) 1.924 8.667 ( 0.986 0.000 2.882) 3.046 8.797 ( -0.728 0.000 -7.169) 7.206 8.979 ( 4.652 -0.000 -2.328) 5.202 9.001 ( 0.493 0.000 -10.216) 10.228 9.033 ( -0.926 0.000 -1.352) 1.639 9.067 ( -0.120 0.000 -6.285) 6.286 9.175 ( -1.170 -0.000 0.162) 1.181 9.226 ( -1.680 0.000 3.140) 3.561 9.456 ( 1.962 0.000 -3.270) 3.813 9.538 ( -2.748 0.000 -7.042) 7.560 9.660 ( 2.412 0.000 0.088) 2.414 9.770 ( -1.584 0.000 4.701) 4.961 9.828 ( -3.080 -0.000 7.412) 8.027 10.141 ( 5.652 0.000 -6.088) 8.307 10.182 ( 1.540 0.000 -6.619) 6.795 10.400 ( -1.520 0.000 -1.746) 2.315 10.425 ( -5.322 -0.000 3.369) 6.299 10.608 ( 5.901 0.000 -15.289) 16.389 10.680 ( 3.149 0.000 -7.355) 8.001 10.754 ( 4.267 -0.000 -5.528) 6.984 10.755 ( -2.536 0.000 -6.669) 7.135 10.890 ( 1.523 0.000 -1.165) 1.917 10.960 ( -3.446 0.000 -9.003) 9.640 11.064 ( -7.949 0.000 0.887) 7.998 11.196 ( 5.712 0.000 4.282) 7.139 11.220 ( 0.511 0.000 3.863) 3.897 11.322 ( 2.447 0.000 1.461) 2.850 11.391 ( -1.707 0.000 -9.324) 9.479 11.593 ( 1.908 0.000 -7.364) 7.607 11.778 ( -2.825 0.000 -12.089) 12.415 11.904 ( 1.866 -0.000 1.882) 2.651 12.030 ( -2.160 0.000 -4.253) 4.770 12.071 ( -3.834 -0.000 3.707) 5.333 12.280 ( 8.650 0.000 -1.376) 8.759 12.307 ( 0.257 0.000 -2.602) 2.615 12.396 ( 2.876 0.000 6.585) 7.185 12.416 ( -0.151 0.000 2.717) 2.721 12.448 ( -2.959 0.000 4.297) 5.217 12.511 ( 4.560 0.000 -0.305) 4.570 12.656 ( -13.470 0.000 -9.240) 16.335 13.004 ( -7.828 0.000 2.565) 8.237 13.189 ( 2.127 0.000 8.068) 8.343 13.409 ( 4.344 0.000 5.960) 7.375 13.460 ( -2.508 0.000 1.255) 2.804 13.669 ( -4.449 0.000 20.699) 21.172 13.777 ( 1.095 0.000 7.232) 7.315 13.961 ( 8.890 0.000 4.822) 10.113 14.094 ( -0.045 0.000 -6.030) 6.030 14.156 ( -1.115 0.000 -0.240) 1.141 14.173 ( -1.974 -0.000 7.345) 7.605 14.558 ( 10.902 0.000 4.445) 11.774 14.654 ( 8.375 0.000 -1.856) 8.578 14.747 ( -5.606 0.000 7.430) 9.308 15.064 ( -4.334 0.000 -8.894) 9.894 15.202 ( -13.122 0.000 -10.330) 16.700 15.682 ( 9.800 0.000 19.778) 22.073 15.950 ( -10.089 0.000 17.794) 20.455 17.034 ( 5.891 0.000 -8.844) 10.626 17.148 ( 4.051 0.000 -3.703) 5.488 17.274 ( 5.600 0.000 -3.426) 6.565 17.441 ( -9.420 0.000 -9.014) 13.038 17.535 ( 4.394 0.000 10.076) 10.993 17.621 ( -3.932 0.000 4.385) 5.890 18.052 ( 1.234 0.000 -0.143) 1.243 18.195 ( 1.737 0.000 0.947) 1.978 18.420 ( 0.898 -0.000 1.985) 2.179 18.492 ( 2.654 0.000 1.245) 2.932 18.591 ( -1.291 -0.000 6.785) 6.907 18.592 ( 0.209 0.000 5.462) 5.466 20.134 ( 2.370 0.000 -12.300) 12.527 20.437 ( 8.116 -0.000 -0.778) 8.154 20.470 ( -7.204 0.000 -7.655) 10.512 20.657 ( -8.197 -0.000 0.067) 8.197 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 0.000 29.928) 29.928 1.558 ( 0.000 0.000 35.974) 35.974 2.649 ( 0.000 0.000 15.206) 15.206 2.705 ( 0.000 0.000 13.695) 13.695 2.790 ( 0.000 0.000 50.989) 50.989 3.205 ( 0.000 0.000 7.556) 7.556 3.243 ( 0.000 0.000 5.019) 5.019 3.507 ( 0.000 0.000 5.672) 5.672 3.610 ( 0.000 0.000 8.376) 8.376 3.623 ( 0.000 0.000 22.618) 22.618 3.979 ( 0.000 0.000 2.914) 2.914 4.193 ( 0.000 0.000 13.864) 13.864 4.222 ( 0.000 0.000 5.963) 5.963 4.246 ( 0.000 0.000 -0.551) 0.551 4.469 ( 0.000 0.000 4.724) 4.724 4.596 ( 0.000 0.000 -4.245) 4.245 4.759 ( 0.000 0.000 -4.852) 4.852 4.780 ( 0.000 0.000 -10.545) 10.545 4.823 ( 0.000 0.000 -5.759) 5.759 5.095 ( 0.000 0.000 -8.370) 8.370 5.196 ( 0.000 0.000 -10.296) 10.296 5.335 ( 0.000 0.000 -10.355) 10.355 5.442 ( 0.000 0.000 -12.357) 12.357 5.942 ( 0.000 0.000 -8.549) 8.549 6.012 ( 0.000 0.000 5.438) 5.438 6.111 ( 0.000 0.000 -0.094) 0.094 6.174 ( 0.000 0.000 -1.958) 1.958 6.262 ( 0.000 0.000 -1.602) 1.602 6.577 ( 0.000 0.000 -3.129) 3.129 6.615 ( 0.000 0.000 7.273) 7.273 6.697 ( 0.000 0.000 -0.320) 0.320 6.955 ( 0.000 0.000 8.120) 8.120 7.008 ( 0.000 0.000 2.101) 2.101 7.043 ( 0.000 0.000 -3.173) 3.173 7.178 ( 0.000 0.000 -8.765) 8.765 7.297 ( 0.000 0.000 -0.849) 0.849 7.591 ( 0.000 0.000 2.254) 2.254 7.607 ( 0.000 0.000 0.183) 0.183 7.902 ( 0.000 0.000 -5.987) 5.987 7.939 ( 0.000 0.000 -3.909) 3.909 8.045 ( 0.000 0.000 -2.189) 2.189 8.176 ( 0.000 0.000 0.222) 0.222 8.225 ( 0.000 0.000 -0.383) 0.383 8.332 ( 0.000 0.000 -3.179) 3.179 8.414 ( 0.000 0.000 7.788) 7.788 8.506 ( 0.000 0.000 -12.252) 12.252 8.575 ( 0.000 0.000 -3.320) 3.320 8.629 ( 0.000 0.000 -1.040) 1.040 8.663 ( 0.000 0.000 -3.826) 3.826 8.790 ( 0.000 0.000 2.280) 2.280 8.804 ( 0.000 0.000 -11.737) 11.737 8.948 ( 0.000 0.000 1.131) 1.131 9.069 ( 0.000 0.000 -3.619) 3.619 9.350 ( 0.000 0.000 5.431) 5.431 9.373 ( 0.000 0.000 -4.042) 4.042 9.412 ( 0.000 0.000 -1.578) 1.578 9.446 ( 0.000 0.000 0.538) 0.538 9.675 ( 0.000 0.000 -3.581) 3.581 9.821 ( 0.000 0.000 -0.961) 0.961 9.905 ( 0.000 0.000 -8.967) 8.967 9.915 ( 0.000 0.000 -0.586) 0.586 10.128 ( 0.000 0.000 -16.205) 16.205 10.143 ( 0.000 0.000 -8.933) 8.933 10.218 ( 0.000 0.000 -10.407) 10.407 10.346 ( 0.000 0.000 -5.248) 5.248 10.486 ( 0.000 0.000 -9.878) 9.878 10.570 ( 0.000 0.000 1.412) 1.412 10.578 ( 0.000 0.000 -6.092) 6.092 10.760 ( 0.000 0.000 -3.046) 3.046 10.896 ( 0.000 0.000 -6.407) 6.407 10.966 ( 0.000 0.000 -6.309) 6.309 10.997 ( 0.000 0.000 -6.044) 6.044 11.042 ( 0.000 0.000 -7.064) 7.064 11.312 ( 0.000 0.000 -4.903) 4.903 11.340 ( 0.000 0.000 1.290) 1.290 11.390 ( 0.000 0.000 0.496) 0.496 11.596 ( 0.000 0.000 -0.637) 0.637 11.649 ( 0.000 0.000 -7.620) 7.620 11.801 ( 0.000 0.000 -1.933) 1.933 11.896 ( 0.000 0.000 -7.622) 7.622 12.079 ( 0.000 0.000 -2.120) 2.120 12.250 ( 0.000 0.000 10.809) 10.809 12.279 ( 0.000 0.000 0.507) 0.507 12.580 ( 0.000 0.000 14.543) 14.543 12.598 ( 0.000 0.000 0.782) 0.782 12.698 ( 0.000 0.000 6.520) 6.520 12.800 ( 0.000 0.000 -5.852) 5.852 12.852 ( 0.000 0.000 3.974) 3.974 13.437 ( 0.000 0.000 -4.691) 4.691 13.556 ( 0.000 0.000 0.847) 0.847 13.588 ( 0.000 0.000 7.495) 7.495 13.713 ( 0.000 0.000 19.816) 19.816 13.892 ( 0.000 0.000 6.896) 6.896 14.081 ( 0.000 0.000 1.781) 1.781 14.251 ( 0.000 0.000 7.176) 7.176 14.354 ( 0.000 0.000 4.024) 4.024 14.363 ( 0.000 0.000 10.956) 10.956 14.392 ( 0.000 0.000 2.576) 2.576 14.546 ( 0.000 0.000 -14.035) 14.035 15.168 ( 0.000 0.000 -3.714) 3.714 15.267 ( 0.000 0.000 22.784) 22.784 15.465 ( 0.000 0.000 -4.490) 4.490 15.525 ( 0.000 0.000 19.650) 19.650 15.992 ( 0.000 0.000 -12.354) 12.354 16.660 ( 0.000 0.000 -8.086) 8.086 16.923 ( 0.000 0.000 14.091) 14.091 17.218 ( 0.000 0.000 4.205) 4.205 17.268 ( 0.000 0.000 6.660) 6.660 17.288 ( 0.000 0.000 -4.884) 4.884 17.794 ( 0.000 0.000 -9.529) 9.529 17.907 ( 0.000 0.000 6.107) 6.107 18.407 ( 0.000 0.000 4.905) 4.905 18.486 ( 0.000 0.000 0.009) 0.009 18.516 ( 0.000 0.000 4.097) 4.097 18.537 ( 0.000 0.000 7.173) 7.173 19.575 ( 0.000 0.000 23.418) 23.418 19.918 ( 0.000 0.000 -19.498) 19.498 20.036 ( 0.000 0.000 -16.259) 16.259 20.061 ( 0.000 0.000 -10.189) 10.189 21.528 ( 0.000 0.000 -7.643) 7.643 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 25.566 0.000 23.033) 34.411 1.698 ( 12.502 0.000 31.760) 34.132 2.636 ( -2.996 0.000 10.908) 11.312 2.678 ( -3.177 0.000 13.622) 13.988 2.858 ( 7.081 0.000 48.724) 49.236 3.149 ( -5.736 0.000 8.786) 10.492 3.166 ( -4.602 0.000 15.712) 16.372 3.448 ( -3.464 0.000 9.535) 10.144 3.526 ( 1.504 0.000 6.756) 6.922 3.790 ( 4.069 0.000 9.908) 10.711 3.946 ( -2.680 0.000 4.759) 5.462 4.164 ( -4.516 0.000 7.894) 9.094 4.164 ( -0.078 0.000 1.988) 1.990 4.296 ( 2.466 0.000 7.753) 8.135 4.335 ( -10.977 0.000 7.020) 13.029 4.664 ( 4.769 0.000 -3.607) 5.980 4.717 ( -5.849 0.000 -7.905) 9.834 4.770 ( 2.244 0.000 -7.195) 7.537 4.821 ( -0.927 0.000 -6.052) 6.123 5.105 ( 1.017 0.000 -8.087) 8.151 5.266 ( 3.956 0.000 -9.163) 9.981 5.316 ( 0.804 0.000 -10.433) 10.463 5.357 ( -7.358 0.000 -12.085) 14.148 5.864 ( -5.908 0.000 -7.512) 9.556 6.081 ( -0.531 0.000 -1.141) 1.258 6.103 ( 5.508 0.000 2.761) 6.161 6.264 ( 1.234 0.000 2.284) 2.596 6.313 ( 8.414 0.000 0.523) 8.430 6.560 ( -4.751 0.000 7.709) 9.056 6.648 ( 2.952 0.000 -1.074) 3.141 6.731 ( 4.211 0.000 -1.080) 4.347 6.903 ( -1.074 0.000 2.184) 2.434 6.998 ( -1.518 0.000 -7.693) 7.841 7.071 ( 4.518 0.000 4.103) 6.103 7.219 ( -1.468 0.000 -5.877) 6.058 7.277 ( 0.622 0.000 -1.960) 2.056 7.571 ( -1.372 0.000 1.403) 1.962 7.603 ( -0.444 0.000 -1.688) 1.746 7.896 ( -3.679 0.000 -5.062) 6.258 7.915 ( 1.229 0.000 -4.938) 5.089 8.056 ( 2.277 0.000 -1.875) 2.950 8.136 ( -4.488 0.000 0.568) 4.524 8.230 ( -0.115 0.000 3.089) 3.091 8.386 ( 1.126 0.000 -1.091) 1.567 8.408 ( 1.536 0.000 2.881) 3.265 8.508 ( -0.156 0.000 -10.809) 10.810 8.531 ( -0.388 0.000 -3.906) 3.925 8.636 ( 1.361 0.000 -4.097) 4.317 8.723 ( 0.780 0.000 -6.780) 6.825 8.814 ( 1.341 0.000 3.729) 3.963 8.857 ( 5.961 0.000 -6.639) 8.923 8.982 ( 0.448 0.000 -0.868) 0.976 9.100 ( 2.476 0.000 -3.036) 3.918 9.249 ( -7.080 0.000 0.511) 7.098 9.259 ( -3.150 0.000 4.009) 5.099 9.424 ( -1.579 0.000 3.516) 3.854 9.517 ( 5.389 0.000 0.494) 5.412 9.672 ( -2.880 0.000 -3.168) 4.281 9.768 ( -8.325 0.000 -2.380) 8.658 9.943 ( 9.327 0.000 -11.494) 14.803 9.978 ( 3.407 0.000 -7.841) 8.549 10.053 ( -9.649 0.000 -3.555) 10.283 10.121 ( 0.248 0.000 -10.484) 10.487 10.147 ( 1.480 0.000 -18.747) 18.805 10.461 ( 5.649 0.000 -3.983) 6.912 10.484 ( -2.623 0.000 0.067) 2.624 10.542 ( 5.902 0.000 -9.252) 10.974 10.667 ( -3.576 0.000 -7.836) 8.613 10.750 ( 4.131 0.000 -3.721) 5.559 10.850 ( -4.417 0.000 -6.680) 8.009 10.876 ( -0.079 0.000 -5.569) 5.570 11.061 ( -0.413 0.000 -10.726) 10.734 11.169 ( 6.330 0.000 -1.193) 6.442 11.258 ( -4.543 0.000 -0.975) 4.646 11.365 ( 2.728 0.000 -3.021) 4.070 11.407 ( -0.800 0.000 2.352) 2.484 11.556 ( -2.360 0.000 -8.352) 8.679 11.563 ( -1.671 0.000 0.585) 1.771 11.796 ( -0.468 0.000 0.142) 0.489 11.914 ( -1.784 0.000 -8.090) 8.285 12.092 ( 0.803 0.000 0.215) 0.832 12.230 ( -5.150 0.000 3.562) 6.262 12.380 ( 6.337 0.000 -0.673) 6.372 12.514 ( -4.535 0.000 9.033) 10.107 12.516 ( -1.621 0.000 1.478) 2.193 12.630 ( -0.823 0.000 2.980) 3.092 12.854 ( 3.298 0.000 1.110) 3.480 12.907 ( 2.140 0.000 3.400) 4.018 13.470 ( 2.795 0.000 0.414) 2.826 13.570 ( 1.267 0.000 5.704) 5.843 13.618 ( -0.933 0.000 16.285) 16.311 13.738 ( 6.127 0.000 4.977) 7.894 13.949 ( -5.438 0.000 4.048) 6.779 14.023 ( -0.442 0.000 5.121) 5.140 14.191 ( -3.427 0.000 11.478) 11.978 14.311 ( -0.380 0.000 6.635) 6.646 14.364 ( 3.556 0.000 4.405) 5.661 14.525 ( -1.667 0.000 -7.963) 8.136 14.533 ( 7.289 0.000 7.748) 10.638 14.986 ( -12.678 0.000 -2.585) 12.939 15.109 ( -8.703 0.000 15.370) 17.663 15.281 ( -11.734 0.000 1.253) 11.800 15.728 ( 12.915 0.000 19.811) 23.648 16.015 ( 1.608 0.000 -9.906) 10.036 16.800 ( 1.397 0.000 5.363) 5.542 17.043 ( -10.747 0.000 -3.701) 11.366 17.099 ( 17.837 0.000 -7.816) 19.474 17.256 ( 0.989 0.000 12.049) 12.090 17.444 ( 7.335 0.000 -1.326) 7.454 17.727 ( -4.438 0.000 -0.966) 4.542 17.901 ( -1.253 0.000 3.341) 3.568 18.260 ( -8.263 0.000 0.444) 8.275 18.448 ( 4.292 0.000 -0.893) 4.384 18.699 ( 11.160 0.000 8.018) 13.742 18.794 ( 16.235 0.000 1.302) 16.287 19.507 ( -5.819 0.000 21.949) 22.707 19.563 ( -20.181 0.000 -17.349) 26.613 19.936 ( -9.244 0.000 -9.185) 13.031 20.384 ( 17.340 0.000 -16.421) 23.881 21.374 ( -12.585 0.000 -7.003) 14.402 ======================= Grid point 72 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 18.395 0.000 23.345) 29.721 2.151 ( 21.152 0.000 19.111) 28.507 2.434 ( -15.070 0.000 16.143) 22.084 2.525 ( -11.989 0.000 16.925) 20.741 3.035 ( 3.048 0.000 20.836) 21.058 3.068 ( -2.681 0.000 20.492) 20.667 3.180 ( 13.557 0.000 18.325) 22.795 3.422 ( -3.371 0.000 3.606) 4.936 3.582 ( 4.011 0.000 8.821) 9.690 3.718 ( -9.162 0.000 8.275) 12.346 3.903 ( 0.312 0.000 7.120) 7.127 4.021 ( -9.894 0.000 7.365) 12.335 4.179 ( -0.303 0.000 12.003) 12.007 4.189 ( 0.673 0.000 1.737) 1.863 4.364 ( 5.686 0.000 5.588) 7.973 4.543 ( -9.772 0.000 -3.050) 10.237 4.730 ( 2.156 0.000 -4.754) 5.221 4.780 ( -2.511 0.000 -5.777) 6.299 4.905 ( 9.410 0.000 -8.694) 12.812 5.096 ( -5.623 0.000 -8.450) 10.150 5.209 ( -2.315 0.000 -10.362) 10.617 5.239 ( -2.576 0.000 -8.946) 9.310 5.479 ( 10.170 0.000 -9.483) 13.905 5.695 ( -9.720 0.000 -9.025) 13.264 6.111 ( 3.230 0.000 1.363) 3.505 6.173 ( -0.354 0.000 2.551) 2.576 6.310 ( 2.339 0.000 7.435) 7.794 6.378 ( -2.393 0.000 5.330) 5.842 6.523 ( 3.838 0.000 5.016) 6.316 6.643 ( -4.381 0.000 2.348) 4.971 6.830 ( 6.982 0.000 -0.742) 7.021 6.960 ( 3.965 0.000 -6.374) 7.507 6.972 ( -2.835 0.000 -9.020) 9.455 7.064 ( -8.351 0.000 -2.603) 8.747 7.251 ( 12.050 0.000 1.592) 12.155 7.374 ( 4.305 0.000 -4.204) 6.017 7.525 ( -3.293 0.000 -0.177) 3.298 7.562 ( -4.066 0.000 -4.488) 6.056 7.841 ( 0.070 0.000 -2.911) 2.911 7.899 ( -3.558 0.000 -2.378) 4.279 8.072 ( -1.532 0.000 -1.216) 1.956 8.075 ( -1.370 0.000 -0.899) 1.638 8.233 ( 4.110 0.000 -1.445) 4.357 8.347 ( -4.666 0.000 -3.387) 5.766 8.462 ( 3.044 0.000 -5.709) 6.470 8.499 ( -0.463 0.000 -5.209) 5.230 8.596 ( 5.093 0.000 2.696) 5.763 8.671 ( 0.742 0.000 -6.454) 6.496 8.706 ( -0.962 0.000 -3.841) 3.959 8.750 ( -6.554 0.000 6.143) 8.983 8.978 ( 3.416 0.000 -3.769) 5.087 8.992 ( 1.104 0.000 0.761) 1.341 9.106 ( -0.869 0.000 4.422) 4.507 9.127 ( -3.432 0.000 2.846) 4.458 9.332 ( 8.623 0.000 -2.133) 8.883 9.435 ( 0.875 0.000 -0.083) 0.878 9.542 ( -3.459 0.000 -1.436) 3.745 9.565 ( -6.355 0.000 -5.807) 8.609 9.701 ( 3.860 0.000 -4.844) 6.194 9.838 ( -8.653 0.000 -1.978) 8.876 10.045 ( 1.054 0.000 -17.828) 17.859 10.050 ( 1.660 0.000 -14.942) 15.034 10.159 ( 4.127 0.000 -0.812) 4.206 10.242 ( 0.231 0.000 -5.930) 5.935 10.508 ( 5.847 0.000 -10.981) 12.441 10.548 ( 2.267 0.000 -8.671) 8.962 10.621 ( 4.188 0.000 -3.971) 5.772 10.639 ( 3.001 0.000 -7.634) 8.203 10.753 ( -5.660 0.000 -3.646) 6.733 10.841 ( -2.716 0.000 -2.858) 3.943 10.908 ( 3.040 0.000 -7.416) 8.015 10.918 ( -6.357 0.000 -14.595) 15.920 11.187 ( -1.215 0.000 -1.885) 2.242 11.209 ( -1.947 0.000 -0.637) 2.049 11.384 ( -0.103 0.000 1.393) 1.396 11.397 ( -0.532 0.000 -2.226) 2.289 11.573 ( 1.770 0.000 -1.555) 2.356 11.582 ( 1.874 0.000 1.723) 2.546 11.804 ( 2.476 0.000 2.684) 3.652 11.875 ( -2.049 0.000 -1.925) 2.811 12.032 ( -3.845 0.000 -4.396) 5.840 12.063 ( -6.738 0.000 -7.974) 10.440 12.415 ( 0.453 0.000 -1.334) 1.409 12.438 ( -2.094 0.000 2.914) 3.588 12.681 ( 10.813 0.000 1.933) 10.985 12.729 ( 6.970 0.000 4.520) 8.307 12.863 ( -3.115 0.000 3.465) 4.660 12.885 ( -4.281 0.000 5.246) 6.771 13.533 ( 2.956 0.000 7.669) 8.219 13.587 ( -0.755 0.000 9.623) 9.652 13.622 ( 3.274 0.000 10.502) 11.000 13.748 ( -8.899 0.000 5.237) 10.326 13.881 ( 4.514 0.000 5.325) 6.981 13.958 ( -4.459 0.000 7.065) 8.354 14.175 ( 2.821 0.000 12.214) 12.535 14.279 ( -5.175 0.000 14.788) 15.667 14.494 ( 8.001 0.000 0.991) 8.062 14.564 ( 3.552 0.000 -2.165) 4.160 14.652 ( 3.988 0.000 7.341) 8.354 14.767 ( -8.249 0.000 -5.836) 10.105 14.986 ( -2.356 0.000 5.804) 6.264 15.047 ( -8.630 0.000 5.543) 10.257 15.964 ( 8.063 0.000 11.563) 14.097 16.042 ( 0.047 0.000 -2.477) 2.478 16.779 ( -0.807 0.000 9.190) 9.226 16.840 ( -7.104 0.000 0.851) 7.154 17.292 ( 2.397 0.000 8.280) 8.620 17.328 ( 1.371 0.000 -2.658) 2.991 17.587 ( 6.210 0.000 0.767) 6.257 17.685 ( -1.736 0.000 -1.611) 2.368 17.901 ( 5.011 0.000 2.626) 5.657 18.080 ( -9.097 0.000 -2.835) 9.529 18.682 ( 16.124 0.000 -11.614) 19.872 18.916 ( 5.746 0.000 4.324) 7.191 19.097 ( 6.571 0.000 6.457) 9.213 19.151 ( -15.425 0.000 -7.305) 17.068 19.412 ( 2.520 0.000 9.776) 10.095 19.668 ( -15.162 0.000 -5.914) 16.275 20.739 ( 16.218 0.000 -13.864) 21.336 21.071 ( -15.263 0.000 -9.805) 18.141 ======================= Grid point 75 (28/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.000 12.698 25.297) 28.305 1.775 ( 0.000 19.475 30.497) 36.184 2.663 ( 0.000 -1.537 8.818) 8.951 2.758 ( 0.000 7.162 13.485) 15.269 2.996 ( 0.000 18.074 49.090) 52.312 3.141 ( 0.000 -2.381 2.240) 3.269 3.321 ( 0.000 4.045 15.587) 16.103 3.488 ( 0.000 0.553 7.398) 7.418 3.632 ( 0.000 0.850 21.108) 21.125 3.667 ( 0.000 1.263 9.132) 9.219 3.978 ( 0.000 -0.406 3.687) 3.709 4.101 ( 0.000 -2.417 7.965) 8.323 4.143 ( 0.000 -5.731 7.482) 9.425 4.258 ( 0.000 -0.197 8.097) 8.099 4.441 ( 0.000 -14.330 -5.776) 15.450 4.551 ( 0.000 4.051 -2.036) 4.534 4.561 ( 0.000 -11.601 -3.406) 12.090 4.829 ( 0.000 1.949 -5.556) 5.888 4.851 ( 0.000 1.819 -10.203) 10.364 5.125 ( 0.000 0.089 -7.169) 7.170 5.249 ( 0.000 -6.049 -8.073) 10.087 5.273 ( 0.000 6.130 -10.496) 12.155 5.470 ( 0.000 0.426 -5.432) 5.449 5.853 ( 0.000 -10.572 -11.297) 15.472 6.015 ( 0.000 0.898 1.342) 1.615 6.125 ( 0.000 -2.815 0.692) 2.898 6.157 ( 0.000 3.962 1.079) 4.106 6.242 ( 0.000 -0.606 -0.230) 0.648 6.483 ( 0.000 -4.121 -1.402) 4.353 6.659 ( 0.000 -3.784 0.562) 3.825 6.673 ( 0.000 0.641 7.372) 7.400 6.967 ( 0.000 1.752 5.107) 5.399 7.026 ( 0.000 4.390 -0.743) 4.453 7.147 ( 0.000 7.613 -5.502) 9.393 7.178 ( 0.000 -1.383 -7.997) 8.115 7.292 ( 0.000 -0.398 -1.038) 1.112 7.536 ( 0.000 -1.816 -0.444) 1.869 7.708 ( 0.000 5.628 2.522) 6.167 7.766 ( 0.000 -5.261 -1.018) 5.359 8.040 ( 0.000 -5.366 -1.822) 5.667 8.061 ( 0.000 2.901 -5.353) 6.089 8.125 ( 0.000 -0.774 -2.192) 2.324 8.167 ( 0.000 -1.793 -7.292) 7.510 8.345 ( 0.000 -2.128 -3.321) 3.944 8.365 ( 0.000 -5.940 6.124) 8.531 8.433 ( 0.000 -3.021 -10.885) 11.297 8.556 ( 0.000 -2.635 -5.515) 6.112 8.597 ( 0.000 0.898 -3.915) 4.017 8.711 ( 0.000 -4.401 -6.035) 7.469 8.734 ( 0.000 1.665 -0.690) 1.802 8.866 ( 0.000 3.658 0.684) 3.721 9.006 ( 0.000 -1.363 -1.819) 2.274 9.027 ( 0.000 2.197 -2.054) 3.008 9.208 ( 0.000 -4.848 1.420) 5.051 9.300 ( 0.000 -7.290 3.171) 7.949 9.507 ( 0.000 0.660 -2.324) 2.416 9.526 ( 0.000 4.482 -3.883) 5.930 9.636 ( 0.000 -1.343 -7.888) 8.001 9.765 ( 0.000 -1.091 -2.605) 2.825 9.865 ( 0.000 -3.748 -0.573) 3.791 9.966 ( 0.000 3.547 -4.264) 5.546 10.103 ( 0.000 1.229 -16.824) 16.869 10.194 ( 0.000 -2.586 -0.372) 2.613 10.228 ( 0.000 4.550 -9.736) 10.746 10.335 ( 0.000 0.412 -13.258) 13.264 10.476 ( 0.000 4.692 -4.336) 6.389 10.597 ( 0.000 1.902 -2.049) 2.796 10.606 ( 0.000 0.175 -9.194) 9.195 10.827 ( 0.000 -2.557 -6.274) 6.776 10.961 ( 0.000 -3.719 -2.256) 4.350 11.000 ( 0.000 9.391 -5.439) 10.852 11.038 ( 0.000 1.720 -7.660) 7.851 11.101 ( 0.000 10.350 -4.325) 11.218 11.221 ( 0.000 -3.821 -0.429) 3.845 11.309 ( 0.000 -0.226 -2.758) 2.767 11.545 ( 0.000 7.061 0.731) 7.099 11.588 ( 0.000 1.702 0.341) 1.736 11.738 ( 0.000 -5.115 -1.252) 5.266 11.752 ( 0.000 7.962 -10.849) 13.457 11.913 ( 0.000 0.768 -6.262) 6.309 12.076 ( 0.000 1.280 -1.391) 1.891 12.266 ( 0.000 -1.256 -0.363) 1.307 12.292 ( 0.000 3.489 8.038) 8.763 12.521 ( 0.000 -2.556 9.731) 10.061 12.606 ( 0.000 -6.081 4.420) 7.518 12.625 ( 0.000 0.486 0.969) 1.084 12.776 ( 0.000 -2.444 -5.230) 5.773 12.930 ( 0.000 4.887 2.936) 5.701 13.389 ( 0.000 -3.366 -2.832) 4.399 13.617 ( 0.000 3.792 7.926) 8.786 13.621 ( 0.000 4.805 6.763) 8.296 13.790 ( 0.000 7.029 12.432) 14.281 13.891 ( 0.000 -2.637 13.479) 13.735 14.110 ( 0.000 2.998 5.372) 6.152 14.128 ( 0.000 -7.879 4.483) 9.065 14.318 ( 0.000 -1.924 10.195) 10.375 14.362 ( 0.000 -2.484 1.841) 3.092 14.464 ( 0.000 5.650 3.627) 6.714 14.563 ( 0.000 1.186 -11.214) 11.277 14.987 ( 0.000 -12.819 5.201) 13.834 15.334 ( 0.000 3.889 5.878) 7.048 15.494 ( 0.000 2.951 11.334) 11.712 15.539 ( 0.000 1.246 16.290) 16.338 15.975 ( 0.000 -2.051 -11.168) 11.355 16.670 ( 0.000 1.247 -7.236) 7.342 17.014 ( 0.000 7.184 11.597) 13.642 17.191 ( 0.000 -5.092 2.851) 5.836 17.328 ( 0.000 3.863 -4.418) 5.869 17.392 ( 0.000 14.197 -0.543) 14.207 17.808 ( 0.000 1.422 -7.192) 7.331 17.829 ( 0.000 -6.221 5.590) 8.364 18.328 ( 0.000 -7.366 5.699) 9.313 18.368 ( 0.000 -6.961 -0.195) 6.963 18.614 ( 0.000 6.098 7.894) 9.975 18.632 ( 0.000 6.318 5.570) 8.423 19.348 ( 0.000 -17.378 13.351) 21.915 19.913 ( 0.000 -2.235 -19.263) 19.393 19.965 ( 0.000 -5.743 -15.795) 16.806 20.232 ( 0.000 13.905 -2.023) 14.052 21.413 ( 0.000 -10.070 -4.055) 10.856 ======================= Grid point 76 (29/72) ======================= q-point: ( 0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 16.129 6.971 24.666) 30.285 1.953 ( 16.094 18.550 24.938) 35.000 2.659 ( -6.435 2.149 12.827) 14.511 2.719 ( 1.286 3.721 9.320) 10.118 3.066 ( 4.435 17.041 39.601) 43.340 3.121 ( 0.087 0.920 8.891) 8.939 3.250 ( -4.900 5.197 20.506) 21.715 3.487 ( -1.415 0.508 10.719) 10.824 3.522 ( -1.716 2.204 8.694) 9.131 3.756 ( 0.980 -3.884 8.692) 9.570 3.924 ( -4.022 -1.871 4.937) 6.637 4.095 ( -0.932 -3.430 7.978) 8.734 4.144 ( -0.749 -3.296 7.193) 7.948 4.257 ( 0.251 -0.063 8.049) 8.053 4.352 ( -8.316 -2.584 0.039) 8.709 4.493 ( 0.126 -11.852 -5.072) 12.893 4.650 ( 3.352 -4.449 -2.682) 6.183 4.794 ( -1.836 2.105 -7.064) 7.596 4.882 ( 1.613 2.733 -8.297) 8.883 5.090 ( -2.417 -0.754 -7.266) 7.695 5.206 ( -3.034 -5.389 -7.713) 9.887 5.328 ( 3.695 2.730 -8.240) 9.434 5.453 ( -1.370 3.237 -6.394) 7.297 5.809 ( -3.930 -6.537 -10.160) 12.705 6.054 ( 2.367 -0.389 -1.158) 2.664 6.143 ( 3.650 1.649 1.763) 4.377 6.235 ( 4.124 -0.575 3.641) 5.531 6.297 ( 4.544 -1.504 0.830) 4.858 6.508 ( 0.292 -2.323 0.417) 2.378 6.653 ( -0.624 -1.855 4.727) 5.116 6.676 ( 3.559 -4.741 -0.487) 5.948 6.913 ( -4.478 4.076 -0.534) 6.079 7.067 ( 2.833 2.520 1.348) 4.024 7.092 ( -3.058 2.235 -3.806) 5.370 7.226 ( 2.640 -1.468 -4.627) 5.526 7.268 ( -1.674 2.652 -4.779) 5.716 7.507 ( -2.008 -2.625 -1.295) 3.550 7.683 ( -2.805 0.674 2.660) 3.923 7.786 ( 1.664 -1.136 -4.161) 4.624 7.965 ( -4.983 -2.807 -0.722) 5.765 8.015 ( -1.324 -1.382 -2.704) 3.313 8.105 ( -1.698 -1.657 -6.368) 6.796 8.224 ( 1.249 -2.415 -0.797) 2.834 8.348 ( 0.949 -5.503 -7.133) 9.059 8.385 ( 0.847 -1.865 0.113) 2.051 8.480 ( 3.203 -1.775 -3.924) 5.368 8.570 ( 1.259 2.586 -4.494) 5.336 8.633 ( -2.286 -0.013 -3.202) 3.934 8.651 ( 1.721 -2.723 -3.883) 5.045 8.790 ( 2.774 -2.945 -2.460) 4.735 8.902 ( -0.445 -1.726 -0.305) 1.808 8.929 ( 2.419 2.190 1.075) 3.435 9.147 ( 4.604 1.018 -4.979) 6.858 9.226 ( -1.475 -7.141 1.113) 7.376 9.280 ( -0.619 3.225 2.733) 4.272 9.420 ( -5.628 -2.456 -0.091) 6.141 9.505 ( 0.154 5.099 0.188) 5.105 9.657 ( -0.042 -2.295 -7.598) 7.937 9.799 ( 1.644 0.105 -2.617) 3.092 9.860 ( 0.464 -1.755 -6.127) 6.390 9.996 ( 0.950 0.728 -4.015) 4.190 10.074 ( -0.632 -0.946 -9.020) 9.091 10.184 ( -0.543 3.196 -9.128) 9.687 10.208 ( -3.298 6.404 -17.579) 18.998 10.319 ( 3.416 -5.307 -3.714) 7.323 10.460 ( -0.288 -1.755 -9.676) 9.838 10.582 ( 2.614 4.811 0.772) 5.529 10.684 ( -2.450 -4.318 -6.701) 8.339 10.792 ( 0.264 1.999 -6.450) 6.758 10.836 ( -7.885 4.906 -7.281) 11.801 10.981 ( -0.102 0.293 -2.687) 2.705 11.059 ( 1.576 2.710 -8.940) 9.474 11.182 ( 0.339 0.954 -4.182) 4.303 11.277 ( -0.126 1.161 2.653) 2.898 11.338 ( 6.212 1.517 -2.746) 6.960 11.502 ( -3.429 4.393 0.850) 5.637 11.533 ( -2.769 1.377 -2.947) 4.272 11.690 ( -1.846 7.422 -4.949) 9.110 11.777 ( 2.654 -0.070 -0.264) 2.668 11.968 ( 0.535 3.474 -8.789) 9.466 12.110 ( 2.722 2.626 -0.407) 3.804 12.255 ( -3.512 2.009 2.850) 4.949 12.354 ( 5.927 -2.374 -0.362) 6.395 12.489 ( -0.738 0.110 5.500) 5.550 12.536 ( -2.275 -0.168 3.999) 4.604 12.630 ( -2.231 0.036 1.463) 2.668 12.776 ( 2.981 -5.241 1.170) 6.142 12.951 ( -0.074 2.155 1.887) 2.865 13.420 ( 0.204 -1.524 3.322) 3.660 13.560 ( 3.924 -1.251 5.648) 6.990 13.710 ( -4.304 3.889 10.731) 12.199 13.769 ( 3.255 3.569 7.516) 8.935 13.935 ( 0.154 -5.068 8.553) 9.943 13.980 ( -7.312 2.686 9.006) 11.907 14.178 ( 2.404 -1.191 8.804) 9.204 14.314 ( -2.935 -1.873 4.421) 5.627 14.375 ( 4.807 0.916 5.570) 7.414 14.493 ( 3.154 -0.488 -1.577) 3.559 14.577 ( 1.006 2.710 1.509) 3.261 14.894 ( -7.031 -7.131 -0.738) 10.042 15.165 ( -8.324 3.265 10.484) 13.779 15.324 ( -11.719 4.107 5.083) 13.417 15.769 ( 12.698 2.657 17.310) 21.632 16.025 ( 3.793 0.796 -8.157) 9.031 16.804 ( 6.975 -0.851 -3.940) 8.056 16.975 ( -3.720 0.083 5.991) 7.052 17.134 ( -1.865 1.927 4.004) 4.820 17.331 ( -1.547 1.374 -3.183) 3.797 17.496 ( 7.836 7.783 -2.332) 11.288 17.761 ( -1.819 1.988 0.924) 2.848 17.849 ( 1.354 -2.330 2.753) 3.853 18.297 ( -2.814 0.411 -1.017) 3.021 18.413 ( 0.690 -2.350 1.505) 2.875 18.542 ( 7.352 -8.104 3.189) 11.397 18.918 ( 14.485 5.129 8.453) 17.538 19.282 ( -6.130 -16.290 11.410) 20.812 19.577 ( -15.335 0.730 -16.907) 22.837 20.112 ( -9.041 12.978 -2.109) 15.957 20.319 ( 16.203 -5.562 -15.450) 23.069 21.279 ( -11.339 -8.630 -4.662) 14.993 ======================= Grid point 77 (30/72) ======================= q-point: ( 0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 17.326 2.849 21.449) 27.719 2.346 ( 16.534 12.616 20.120) 28.938 2.413 ( -13.000 1.954 17.771) 22.105 2.671 ( -9.861 9.966 14.507) 20.174 3.080 ( 3.173 4.074 13.895) 14.823 3.184 ( -0.793 7.606 13.851) 15.822 3.300 ( 9.108 11.456 20.102) 24.865 3.442 ( -2.721 0.329 8.066) 8.519 3.559 ( 4.859 -0.728 9.892) 11.045 3.700 ( -5.066 -2.024 4.832) 7.288 3.847 ( -2.346 -5.055 8.546) 10.203 3.966 ( -9.975 -2.881 11.398) 15.418 4.130 ( 0.362 -4.200 10.567) 11.377 4.203 ( -2.774 -0.029 6.275) 6.861 4.336 ( 4.312 -3.137 1.787) 5.624 4.482 ( -1.733 -3.405 -3.755) 5.357 4.673 ( -0.846 -5.447 -6.546) 8.558 4.765 ( -0.850 2.150 -4.368) 4.942 4.940 ( 4.176 1.664 -7.172) 8.464 5.037 ( -3.270 -4.891 -6.585) 8.830 5.167 ( 0.184 -3.343 -6.263) 7.101 5.323 ( -3.338 3.898 -4.710) 6.966 5.505 ( 5.694 0.511 -8.090) 9.906 5.698 ( -5.845 -0.287 -9.835) 11.444 6.107 ( 2.594 0.575 -1.120) 2.883 6.196 ( -0.168 1.820 1.412) 2.310 6.312 ( 1.707 -0.468 5.516) 5.794 6.366 ( 2.599 -0.488 4.937) 5.601 6.511 ( 2.271 -0.844 3.188) 4.004 6.638 ( -3.804 -0.644 4.239) 5.732 6.786 ( 5.501 -4.302 -0.482) 7.000 6.851 ( 0.530 -3.240 -8.842) 9.432 6.969 ( -6.553 -2.148 -4.875) 8.445 7.155 ( -1.204 1.771 -4.586) 5.062 7.239 ( 7.843 1.280 3.062) 8.516 7.336 ( 3.180 -1.180 -5.368) 6.350 7.458 ( -3.164 -3.206 -2.558) 5.180 7.594 ( -4.336 -1.372 0.457) 4.571 7.812 ( -0.921 -0.055 -2.635) 2.791 7.866 ( -1.995 -2.151 -5.483) 6.218 8.018 ( 1.214 -1.123 -1.734) 2.396 8.071 ( -1.755 -3.827 -5.317) 6.782 8.247 ( 1.794 -0.623 -0.851) 2.081 8.315 ( -3.543 -2.213 -6.342) 7.594 8.402 ( 0.758 -3.119 -0.201) 3.216 8.532 ( 1.771 -0.721 -1.397) 2.368 8.585 ( 0.389 -4.478 -7.319) 8.589 8.614 ( -1.048 -3.903 -4.425) 5.993 8.696 ( 4.127 3.938 1.248) 5.839 8.795 ( -3.718 1.395 2.543) 4.715 8.936 ( 3.248 -0.685 1.235) 3.541 9.001 ( 3.461 -1.445 0.177) 3.754 9.124 ( -3.837 -1.668 2.220) 4.736 9.193 ( -4.405 3.496 -6.757) 8.791 9.297 ( 4.545 1.392 1.094) 4.878 9.360 ( -0.367 -3.106 -0.599) 3.184 9.528 ( 0.921 -0.117 -0.101) 0.934 9.624 ( -2.838 1.885 -0.878) 3.519 9.806 ( 2.691 4.179 -10.837) 11.923 9.887 ( -2.745 -3.596 -11.625) 12.474 9.984 ( 1.629 -0.061 -8.172) 8.333 10.068 ( -5.221 5.692 -6.712) 10.232 10.143 ( 3.738 -0.970 -2.206) 4.447 10.282 ( 5.982 0.251 -10.811) 12.358 10.378 ( -0.399 -4.701 -4.519) 6.533 10.508 ( 1.851 -0.367 -12.315) 12.459 10.595 ( -1.014 -9.110 -8.910) 12.784 10.666 ( 3.024 0.170 -5.224) 6.039 10.698 ( -1.175 3.868 -7.304) 8.348 10.780 ( -3.216 -0.804 -5.189) 6.157 10.962 ( -6.949 5.641 -7.097) 11.423 11.047 ( 2.355 2.242 -2.475) 4.086 11.151 ( 0.591 -1.084 -4.262) 4.438 11.228 ( -4.976 0.360 -3.949) 6.362 11.431 ( 2.504 4.403 2.498) 5.647 11.471 ( -0.598 5.355 2.759) 6.053 11.553 ( 3.644 0.402 -2.154) 4.252 11.651 ( -1.653 4.514 -1.209) 4.957 11.813 ( -0.158 3.725 1.880) 4.176 11.992 ( 0.191 2.438 -10.655) 10.932 12.080 ( 0.024 6.933 -2.388) 7.332 12.169 ( -4.395 8.485 0.361) 9.562 12.422 ( -0.171 2.601 -2.510) 3.618 12.471 ( -0.823 2.214 1.327) 2.710 12.619 ( 9.653 -5.487 1.145) 11.163 12.713 ( 6.601 -1.546 4.871) 8.348 12.787 ( -2.161 -5.584 5.031) 7.821 12.886 ( -6.140 -1.141 4.057) 7.447 13.454 ( 4.246 -3.935 7.337) 9.346 13.585 ( -6.277 -3.135 10.241) 12.414 13.661 ( 0.482 1.502 6.007) 6.211 13.742 ( -0.839 1.007 10.813) 10.893 13.899 ( 1.186 3.295 9.386) 10.018 13.968 ( -1.399 0.029 5.123) 5.311 14.114 ( -1.903 -2.517 5.407) 6.261 14.337 ( 1.873 -1.288 14.238) 14.418 14.464 ( -0.157 2.340 -3.267) 4.021 14.535 ( 1.249 -0.582 4.782) 4.977 14.689 ( 10.281 -0.584 3.634) 10.920 14.759 ( -3.422 -1.218 -4.804) 6.023 15.002 ( -12.368 4.790 9.020) 16.040 15.114 ( -2.685 2.708 4.067) 5.575 15.997 ( 7.848 2.782 10.356) 13.288 16.088 ( 0.860 3.773 1.979) 4.346 16.834 ( -1.387 5.386 4.490) 7.147 16.899 ( -2.901 4.483 0.630) 5.377 17.161 ( 3.513 -6.553 1.981) 7.694 17.253 ( -4.868 -6.420 -0.928) 8.110 17.638 ( 5.043 3.264 3.603) 7.005 17.733 ( -2.405 1.654 3.765) 4.764 17.951 ( 8.383 6.270 -1.731) 10.611 18.156 ( -8.205 5.796 -1.407) 10.143 18.576 ( 10.449 -9.816 -7.474) 16.168 18.716 ( 6.660 -12.385 -2.831) 14.345 19.046 ( -7.790 -8.635 2.477) 11.891 19.121 ( -4.857 -6.098 11.552) 13.937 19.477 ( 9.218 10.500 -6.590) 15.448 19.845 ( -14.216 13.247 -1.121) 19.464 20.660 ( 15.516 -7.235 -12.955) 21.470 20.996 ( -14.425 -7.108 -8.118) 18.014 ======================= Grid point 80 (31/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.000 19.260 16.562) 25.402 2.259 ( 0.000 26.027 23.230) 34.886 2.512 ( 0.000 -12.779 5.693) 13.990 2.999 ( 0.000 15.814 10.690) 19.088 3.087 ( 0.000 -6.014 8.777) 10.640 3.379 ( 0.000 0.722 15.783) 15.800 3.430 ( 0.000 19.688 34.329) 39.575 3.542 ( 0.000 2.507 8.536) 8.897 3.564 ( 0.000 -6.042 13.871) 15.129 3.680 ( 0.000 5.019 16.383) 17.135 3.968 ( 0.000 3.536 9.941) 10.551 3.977 ( 0.000 -21.142 0.381) 21.146 4.132 ( 0.000 4.122 11.858) 12.554 4.162 ( 0.000 -3.698 7.553) 8.409 4.277 ( 0.000 -1.795 1.992) 2.681 4.389 ( 0.000 -2.886 -2.995) 4.160 4.600 ( 0.000 2.753 -5.159) 5.847 4.818 ( 0.000 -4.267 -6.243) 7.562 4.908 ( 0.000 3.888 -4.735) 6.126 5.025 ( 0.000 -9.751 2.099) 9.975 5.150 ( 0.000 -2.449 -5.666) 6.172 5.374 ( 0.000 0.835 -10.830) 10.862 5.465 ( 0.000 0.368 -4.048) 4.065 5.553 ( 0.000 -14.309 -10.034) 17.477 6.050 ( 0.000 1.995 -2.395) 3.117 6.098 ( 0.000 -0.705 1.539) 1.692 6.240 ( 0.000 0.512 -1.073) 1.189 6.250 ( 0.000 4.187 1.440) 4.427 6.421 ( 0.000 -1.946 -2.378) 3.073 6.561 ( 0.000 -5.301 0.363) 5.313 6.689 ( 0.000 2.968 3.530) 4.612 6.955 ( 0.000 -4.998 -3.839) 6.303 7.134 ( 0.000 4.844 -0.402) 4.861 7.181 ( 0.000 3.026 -0.610) 3.087 7.287 ( 0.000 0.875 -0.958) 1.298 7.335 ( 0.000 9.717 -7.982) 12.575 7.504 ( 0.000 -1.695 -0.325) 1.726 7.676 ( 0.000 -4.469 -0.828) 4.545 7.793 ( 0.000 1.817 -0.105) 1.820 7.918 ( 0.000 -2.062 -3.711) 4.246 8.021 ( 0.000 -8.665 -5.344) 10.180 8.065 ( 0.000 -5.626 -6.128) 8.319 8.185 ( 0.000 -0.144 2.547) 2.552 8.243 ( 0.000 -3.628 -9.655) 10.314 8.247 ( 0.000 0.149 -2.446) 2.451 8.436 ( 0.000 -0.777 -5.325) 5.382 8.530 ( 0.000 -5.300 -1.935) 5.642 8.535 ( 0.000 0.315 -3.765) 3.779 8.703 ( 0.000 -3.286 -3.516) 4.813 8.726 ( 0.000 3.647 -5.111) 6.278 8.893 ( 0.000 3.013 -6.116) 6.818 8.942 ( 0.000 -7.836 -1.880) 8.059 9.065 ( 0.000 0.493 -4.628) 4.655 9.191 ( 0.000 5.985 3.158) 6.767 9.242 ( 0.000 0.956 -1.972) 2.191 9.476 ( 0.000 -4.748 -2.123) 5.201 9.585 ( 0.000 3.010 -0.058) 3.011 9.597 ( 0.000 -1.307 -8.586) 8.685 9.775 ( 0.000 -4.497 0.727) 4.555 9.790 ( 0.000 -0.173 -6.680) 6.682 10.001 ( 0.000 1.048 -1.968) 2.230 10.074 ( 0.000 -3.779 -2.835) 4.724 10.226 ( 0.000 5.598 -11.174) 12.498 10.325 ( 0.000 1.249 -0.554) 1.367 10.418 ( 0.000 5.206 -11.476) 12.602 10.506 ( 0.000 0.927 -12.750) 12.783 10.607 ( 0.000 0.110 -9.297) 9.298 10.610 ( 0.000 0.483 -3.608) 3.640 10.795 ( 0.000 -1.074 -2.632) 2.843 10.861 ( 0.000 -5.468 -1.184) 5.595 11.119 ( 0.000 3.580 -6.404) 7.337 11.128 ( 0.000 4.630 -4.263) 6.294 11.211 ( 0.000 2.564 -0.284) 2.580 11.235 ( 0.000 2.226 -1.186) 2.523 11.313 ( 0.000 1.085 -2.586) 2.805 11.525 ( 0.000 -7.913 0.008) 7.913 11.675 ( 0.000 5.787 -1.847) 6.075 11.736 ( 0.000 3.997 -1.546) 4.286 11.904 ( 0.000 5.316 -10.055) 11.374 11.922 ( 0.000 0.976 -3.985) 4.102 12.148 ( 0.000 4.523 -3.721) 5.856 12.235 ( 0.000 -1.698 -1.280) 2.127 12.367 ( 0.000 3.235 7.083) 7.786 12.476 ( 0.000 -2.624 7.812) 8.241 12.506 ( 0.000 -2.504 0.504) 2.554 12.644 ( 0.000 -1.595 -6.290) 6.489 12.740 ( 0.000 3.453 -3.380) 4.832 12.999 ( 0.000 0.452 -1.968) 2.019 13.338 ( 0.000 0.069 4.755) 4.755 13.655 ( 0.000 -6.860 10.236) 12.322 13.724 ( 0.000 4.957 8.756) 10.061 13.806 ( 0.000 0.728 16.356) 16.372 13.948 ( 0.000 6.885 5.126) 8.583 14.014 ( 0.000 -3.015 1.640) 3.432 14.201 ( 0.000 5.498 13.974) 15.017 14.300 ( 0.000 -0.188 9.355) 9.357 14.315 ( 0.000 -1.192 2.766) 3.012 14.503 ( 0.000 -3.090 7.376) 7.997 14.583 ( 0.000 0.862 -6.379) 6.437 14.749 ( 0.000 -9.335 6.498) 11.374 15.414 ( 0.000 4.955 2.453) 5.529 15.559 ( 0.000 0.130 8.484) 8.485 15.604 ( 0.000 7.157 10.009) 12.305 15.896 ( 0.000 -5.711 -6.341) 8.533 16.719 ( 0.000 3.611 -5.481) 6.564 16.976 ( 0.000 -8.284 -2.746) 8.727 17.284 ( 0.000 11.374 15.230) 19.008 17.439 ( 0.000 6.712 -4.251) 7.945 17.673 ( 0.000 8.661 -10.391) 13.527 17.702 ( 0.000 -5.771 6.289) 8.536 17.862 ( 0.000 4.352 -3.278) 5.449 18.139 ( 0.000 -10.148 4.523) 11.110 18.260 ( 0.000 -0.071 3.238) 3.239 18.719 ( 0.000 2.109 10.909) 11.111 18.746 ( 0.000 4.563 8.704) 9.827 18.960 ( 0.000 -18.919 6.790) 20.101 19.851 ( 0.000 -3.070 -20.582) 20.810 19.856 ( 0.000 -4.102 -17.754) 18.222 20.540 ( 0.000 15.789 1.390) 15.850 21.163 ( 0.000 -13.953 -0.208) 13.955 ======================= Grid point 81 (32/72) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 10.967 16.936 17.417) 26.655 2.382 ( 10.754 22.284 20.813) 32.333 2.585 ( 4.502 -10.225 6.535) 12.943 2.886 ( -6.569 11.836 11.370) 17.678 3.121 ( 0.767 -1.266 7.392) 7.538 3.331 ( -5.773 1.887 23.851) 24.612 3.425 ( 0.886 3.428 19.257) 19.580 3.510 ( 0.434 1.612 12.037) 12.152 3.585 ( 1.281 9.438 14.919) 17.700 3.664 ( -3.543 1.257 9.883) 10.574 3.883 ( -6.340 -4.052 9.314) 11.973 3.979 ( 0.649 -6.640 5.614) 8.719 4.121 ( -0.267 -2.683 8.110) 8.547 4.195 ( 0.061 -2.282 5.259) 5.734 4.264 ( -1.242 -0.436 2.781) 3.077 4.433 ( 3.977 1.526 1.259) 4.441 4.567 ( -1.649 -1.789 -2.790) 3.702 4.831 ( 0.163 -0.832 -4.849) 4.923 4.892 ( -1.100 0.202 -5.393) 5.507 4.996 ( -2.379 -8.713 1.629) 9.177 5.145 ( -0.241 -0.431 -6.384) 6.403 5.360 ( -1.145 0.230 -5.740) 5.857 5.458 ( -0.257 -2.308 -6.712) 7.102 5.598 ( 2.942 -10.655 -10.340) 15.136 6.082 ( 2.613 1.768 -2.441) 3.989 6.150 ( 4.352 -0.109 1.774) 4.701 6.261 ( 1.838 0.022 -0.006) 1.838 6.299 ( 4.050 3.839 1.877) 5.888 6.479 ( 4.043 -1.246 -3.159) 5.280 6.560 ( 1.203 -4.806 -0.155) 4.957 6.633 ( -3.500 0.473 1.530) 3.849 6.962 ( -1.665 -3.987 -1.745) 4.660 7.079 ( -5.269 1.075 -2.425) 5.899 7.147 ( -3.722 4.904 1.045) 6.244 7.216 ( -0.596 0.689 -3.085) 3.217 7.387 ( 0.984 6.553 -4.649) 8.095 7.477 ( -1.674 0.088 -2.069) 2.663 7.623 ( -3.789 -2.751 0.096) 4.683 7.819 ( -0.054 -1.957 -2.167) 2.921 7.866 ( -0.391 -2.137 -4.500) 4.997 7.997 ( -2.282 -4.737 -4.453) 6.890 8.081 ( 0.584 1.475 -5.571) 5.792 8.161 ( -2.001 -1.189 -7.755) 8.097 8.261 ( 0.167 -3.357 -5.192) 6.185 8.305 ( 5.315 -4.164 1.739) 6.973 8.457 ( 1.575 -0.647 -3.222) 3.644 8.496 ( -3.021 -5.960 -1.920) 6.953 8.576 ( 1.299 -2.600 -3.438) 4.502 8.714 ( 0.392 0.848 -3.910) 4.020 8.776 ( 6.176 1.448 -2.890) 6.971 8.873 ( -1.576 2.560 -3.706) 4.772 8.992 ( -0.602 0.034 -2.978) 3.039 9.021 ( 2.128 -7.569 1.790) 8.064 9.177 ( 1.464 2.263 -1.678) 3.174 9.352 ( 3.218 1.090 -6.419) 7.262 9.374 ( -6.203 -1.844 -0.979) 6.545 9.512 ( -1.648 -6.265 -3.552) 7.388 9.595 ( -2.021 0.185 -3.401) 3.961 9.801 ( 2.585 0.823 -2.474) 3.671 9.876 ( 1.340 -0.822 -4.074) 4.367 10.005 ( 2.506 1.948 -5.623) 6.457 10.105 ( 0.503 1.885 -1.891) 2.717 10.173 ( -2.889 -1.993 -3.403) 4.889 10.255 ( -0.941 3.581 -11.730) 12.300 10.390 ( -1.144 4.626 -9.936) 11.019 10.461 ( -2.692 0.953 -11.289) 11.645 10.607 ( -1.464 -0.957 -8.280) 8.463 10.691 ( 2.411 3.400 -3.799) 5.640 10.814 ( 1.357 1.346 -2.044) 2.799 10.914 ( 0.440 -0.042 -3.858) 3.883 10.968 ( -5.554 1.621 -3.851) 6.950 11.088 ( -2.779 0.862 -6.814) 7.409 11.207 ( -1.013 0.668 -7.133) 7.235 11.273 ( 1.878 -2.003 0.378) 2.772 11.392 ( 4.247 2.510 2.854) 5.700 11.505 ( 0.159 -2.201 0.558) 2.276 11.634 ( -2.551 6.130 -0.050) 6.639 11.803 ( -0.394 4.940 -5.223) 7.200 11.836 ( 2.307 3.526 -3.332) 5.372 12.007 ( 2.572 0.152 -8.855) 9.222 12.169 ( 1.411 1.231 -1.758) 2.568 12.287 ( 3.829 0.689 -1.563) 4.193 12.352 ( -2.175 3.586 1.049) 4.323 12.446 ( 3.527 -2.953 9.279) 10.357 12.544 ( -0.510 -1.210 3.730) 3.954 12.628 ( -1.343 -4.878 -3.140) 5.955 12.729 ( 0.814 6.775 -1.179) 6.925 12.990 ( -2.472 1.667 0.950) 3.129 13.378 ( 3.362 -3.340 2.069) 5.171 13.581 ( -3.194 3.119 6.087) 7.548 13.649 ( -7.059 -7.834 14.101) 17.608 13.836 ( 0.796 3.737 4.645) 6.015 13.940 ( 3.014 2.678 8.562) 9.464 14.069 ( -5.710 4.519 12.350) 14.337 14.148 ( 0.071 -0.378 7.470) 7.480 14.280 ( -0.707 0.190 1.488) 1.659 14.392 ( 6.610 0.674 7.729) 10.192 14.467 ( -0.318 -2.480 3.722) 4.484 14.590 ( 2.722 -4.489 7.927) 9.508 14.799 ( 0.150 0.726 -2.293) 2.410 15.177 ( -10.867 -2.087 1.426) 11.157 15.430 ( -12.286 5.386 8.098) 15.669 15.817 ( 12.985 2.079 14.501) 19.576 16.031 ( 9.149 -0.366 -6.146) 11.028 16.793 ( 5.719 0.875 -4.833) 7.538 16.983 ( -0.129 -2.630 -0.883) 2.777 17.219 ( -4.197 7.337 10.856) 13.759 17.373 ( -6.912 3.969 -8.042) 11.323 17.661 ( 0.771 6.511 -0.063) 6.557 17.721 ( 0.679 -3.514 5.961) 6.953 17.923 ( 6.464 5.154 -3.693) 9.055 18.211 ( 4.749 -7.672 -0.438) 9.033 18.300 ( 2.882 -2.568 2.053) 4.372 18.562 ( -5.050 6.653 6.189) 10.395 18.909 ( -1.716 -13.567 6.659) 15.210 18.929 ( 3.664 -9.643 11.284) 15.289 19.651 ( -4.196 6.406 -19.449) 20.902 20.149 ( 14.261 -7.777 -14.760) 21.948 20.424 ( -10.110 14.442 0.538) 17.637 21.056 ( -9.459 -12.609 -1.371) 15.822 ======================= Grid point 82 (33/72) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 14.825 12.484 17.436) 26.070 2.486 ( -12.827 4.861 14.828) 20.200 2.642 ( 11.350 14.477 16.638) 24.804 2.876 ( -0.151 9.889 11.822) 15.413 3.114 ( 3.515 -1.096 11.211) 11.800 3.244 ( -3.288 -5.435 16.143) 17.348 3.418 ( -3.073 0.206 8.211) 8.770 3.488 ( -3.894 -0.105 10.123) 10.847 3.564 ( 0.492 -6.057 5.277) 8.048 3.663 ( 1.541 6.028 10.779) 12.445 3.806 ( 2.956 6.663 15.607) 17.225 3.956 ( -5.503 0.563 5.726) 7.961 4.097 ( -0.802 -6.447 1.601) 6.691 4.151 ( -2.206 2.798 10.134) 10.742 4.249 ( -0.292 -0.444 6.932) 6.952 4.509 ( 1.410 2.573 1.535) 3.311 4.586 ( 3.667 -3.637 2.141) 5.591 4.796 ( -2.823 -0.316 0.952) 2.996 4.879 ( -0.333 -4.485 -8.762) 9.849 4.944 ( -2.005 -6.565 -1.429) 7.012 5.165 ( 2.149 4.179 -6.649) 8.142 5.319 ( -2.480 -1.595 1.226) 3.194 5.463 ( 0.526 -4.611 -8.284) 9.495 5.640 ( 0.822 -5.829 -11.645) 13.049 6.131 ( 1.434 0.766 -1.590) 2.274 6.250 ( 3.728 3.197 -1.821) 5.238 6.288 ( 1.578 -0.974 3.955) 4.369 6.376 ( -0.524 1.229 0.428) 1.403 6.518 ( 2.911 1.939 1.911) 3.985 6.606 ( 1.563 -1.630 -0.109) 2.261 6.661 ( 4.617 -5.910 -2.079) 7.783 6.866 ( -8.062 -5.476 -2.310) 10.016 6.909 ( -4.099 3.455 -4.158) 6.784 7.136 ( -0.928 -0.335 -3.632) 3.764 7.242 ( 4.286 0.101 0.916) 4.384 7.363 ( -3.364 -0.748 2.096) 4.033 7.466 ( 0.307 -1.282 -1.494) 1.992 7.537 ( -3.259 3.609 -7.101) 8.607 7.795 ( -0.637 -0.992 -3.919) 4.093 7.904 ( 1.647 1.973 -5.942) 6.475 7.970 ( -0.851 -2.004 -6.357) 6.719 8.046 ( -0.861 3.078 -4.360) 5.406 8.181 ( 2.341 -5.418 -5.648) 8.169 8.244 ( -2.481 -4.136 -2.759) 5.556 8.344 ( -0.900 -3.123 -0.801) 3.347 8.450 ( -1.687 -6.803 -2.140) 7.328 8.475 ( 1.135 -3.474 -1.616) 3.996 8.596 ( 1.334 1.974 -4.771) 5.333 8.741 ( 1.789 -1.129 1.675) 2.698 8.812 ( -3.297 0.782 1.180) 3.588 8.927 ( 6.801 -0.957 -1.526) 7.035 8.986 ( 0.952 -0.840 -2.603) 2.896 9.081 ( -0.421 -0.121 -0.504) 0.668 9.146 ( -3.566 -6.009 -6.750) 9.715 9.325 ( 1.415 0.262 1.792) 2.298 9.388 ( 0.376 1.312 -3.719) 3.962 9.515 ( 2.057 -0.028 0.376) 2.091 9.582 ( -0.140 -5.481 -4.097) 6.844 9.772 ( -1.773 -1.867 -9.598) 9.937 9.860 ( -2.742 3.749 -5.227) 6.992 10.021 ( -2.224 -0.781 -10.868) 11.120 10.146 ( 2.350 -3.390 -5.888) 7.189 10.191 ( 3.290 4.412 -3.029) 6.282 10.223 ( -0.122 4.147 -2.596) 4.894 10.430 ( 3.834 -1.878 -14.634) 15.244 10.486 ( 1.242 2.085 -13.273) 13.493 10.542 ( -2.309 3.033 -8.441) 9.262 10.686 ( -2.351 0.864 -1.951) 3.175 10.736 ( -5.151 1.189 -4.902) 7.210 10.836 ( -0.562 5.407 -4.123) 6.823 10.991 ( -1.813 -2.037 -7.855) 8.315 11.068 ( 1.789 0.871 1.978) 2.805 11.177 ( 0.241 1.438 -9.929) 10.035 11.260 ( -3.714 5.255 -1.593) 6.629 11.483 ( 4.500 -1.820 3.247) 5.840 11.537 ( 0.932 0.497 6.013) 6.106 11.606 ( -0.011 5.217 -0.775) 5.274 11.749 ( -1.797 4.681 -6.773) 8.427 11.911 ( 1.707 4.388 1.824) 5.050 12.031 ( -1.184 1.192 -9.702) 9.846 12.182 ( 2.088 2.964 -8.274) 9.033 12.279 ( -0.601 2.986 4.660) 5.567 12.454 ( 5.723 -5.072 -2.230) 7.965 12.489 ( 0.522 0.197 1.847) 1.930 12.572 ( 1.624 0.896 5.334) 5.648 12.637 ( -0.957 -5.711 3.299) 6.664 12.710 ( 0.774 -1.102 6.516) 6.654 12.906 ( -4.342 6.716 2.430) 8.358 13.418 ( 0.358 -0.256 6.063) 6.079 13.479 ( -6.037 -4.981 10.334) 12.963 13.630 ( 6.289 -4.948 3.442) 8.711 13.792 ( -6.077 2.244 2.201) 6.841 13.986 ( 1.376 4.652 11.561) 12.538 14.009 ( -0.127 5.515 8.925) 10.492 14.107 ( 0.775 0.734 4.041) 4.179 14.261 ( -2.820 -3.329 5.909) 7.346 14.455 ( 1.527 -5.479 5.126) 7.656 14.583 ( 2.785 -3.086 -1.127) 4.307 14.628 ( -1.957 4.693 4.969) 7.110 14.796 ( 8.179 3.764 2.743) 9.412 15.064 ( -2.928 -3.718 5.223) 7.048 15.147 ( -11.869 3.674 6.606) 14.072 16.053 ( 9.061 2.072 13.724) 16.575 16.159 ( 0.705 2.798 4.222) 5.114 16.907 ( 4.996 -2.143 -3.428) 6.427 16.976 ( -0.109 5.782 -2.866) 6.454 17.141 ( -5.170 -0.371 -6.033) 7.953 17.208 ( -4.419 6.825 1.493) 8.267 17.700 ( 1.943 3.502 6.850) 7.935 17.736 ( 0.294 -0.523 7.460) 7.485 18.090 ( 8.035 2.454 -3.616) 9.147 18.236 ( -3.619 -0.861 -4.099) 5.535 18.357 ( 2.376 -5.864 -0.267) 6.333 18.558 ( 3.500 -0.038 -0.427) 3.526 18.809 ( -4.793 -13.489 3.674) 14.779 18.936 ( -2.714 -10.906 7.932) 13.756 19.735 ( 9.942 12.653 -8.301) 18.106 20.131 ( -13.209 13.936 -1.187) 19.238 20.477 ( 14.186 -9.670 -10.855) 20.312 20.803 ( -13.410 -11.080 -4.773) 18.038 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 0.000 -19.172 9.292) 21.305 2.168 ( 0.000 19.172 9.292) 21.305 2.780 ( 0.000 -22.631 18.858) 29.458 2.780 ( 0.000 22.631 18.858) 29.458 3.322 ( 0.000 -10.594 9.573) 14.279 3.322 ( 0.000 10.594 9.573) 14.279 3.537 ( 0.000 -0.423 9.645) 9.654 3.537 ( 0.000 0.423 9.645) 9.654 3.610 ( 0.000 -8.082 10.332) 13.117 3.610 ( 0.000 8.082 10.332) 13.117 3.953 ( 0.000 -15.256 15.065) 21.441 3.953 ( 0.000 15.256 15.065) 21.441 4.152 ( 0.000 -9.046 2.989) 9.527 4.152 ( 0.000 9.046 2.989) 9.527 4.287 ( 0.000 -10.508 14.197) 17.663 4.287 ( 0.000 10.508 14.197) 17.663 4.723 ( 0.000 -8.178 -3.480) 8.888 4.723 ( 0.000 8.178 -3.480) 8.888 4.914 ( 0.000 -2.994 -0.891) 3.124 4.914 ( 0.000 2.994 -0.891) 3.124 5.191 ( 0.000 -8.225 -7.451) 11.098 5.191 ( 0.000 8.225 -7.451) 11.098 5.481 ( 0.000 -0.029 -9.488) 9.488 5.481 ( 0.000 0.029 -9.488) 9.488 6.081 ( 0.000 -0.942 -0.697) 1.172 6.081 ( 0.000 0.942 -0.697) 1.172 6.266 ( 0.000 -1.287 0.368) 1.338 6.266 ( 0.000 1.287 0.368) 1.338 6.455 ( 0.000 -4.707 -1.430) 4.919 6.455 ( 0.000 4.707 -1.430) 4.919 6.808 ( 0.000 -7.298 -3.182) 7.962 6.808 ( 0.000 7.298 -3.182) 7.962 7.202 ( 0.000 -1.582 -0.755) 1.753 7.202 ( 0.000 1.582 -0.755) 1.753 7.376 ( 0.000 -5.493 -0.258) 5.500 7.376 ( 0.000 5.493 -0.258) 5.500 7.561 ( 0.000 -6.714 -2.936) 7.328 7.561 ( 0.000 6.714 -2.936) 7.328 7.848 ( 0.000 -5.571 -2.994) 6.324 7.848 ( 0.000 5.571 -2.994) 6.324 7.949 ( 0.000 -2.852 -6.604) 7.194 7.949 ( 0.000 2.852 -6.604) 7.194 8.188 ( 0.000 -2.422 -2.863) 3.750 8.188 ( 0.000 2.422 -2.863) 3.750 8.338 ( 0.000 -5.838 -3.264) 6.688 8.338 ( 0.000 5.838 -3.264) 6.688 8.519 ( 0.000 -2.051 -1.477) 2.528 8.519 ( 0.000 2.051 -1.477) 2.528 8.708 ( 0.000 -3.786 -6.558) 7.573 8.708 ( 0.000 3.786 -6.558) 7.573 8.901 ( 0.000 -2.005 -3.156) 3.739 8.901 ( 0.000 2.005 -3.156) 3.739 9.158 ( 0.000 -7.621 -10.119) 12.668 9.158 ( 0.000 7.621 -10.119) 12.668 9.346 ( 0.000 -7.561 0.294) 7.567 9.346 ( 0.000 7.561 0.294) 7.567 9.627 ( 0.000 -0.349 -1.115) 1.168 9.627 ( 0.000 0.349 -1.115) 1.168 9.725 ( 0.000 -1.203 -3.012) 3.244 9.725 ( 0.000 1.203 -3.012) 3.244 10.032 ( 0.000 -0.775 -0.053) 0.777 10.032 ( 0.000 0.775 -0.053) 0.777 10.296 ( 0.000 -1.132 -5.346) 5.465 10.296 ( 0.000 1.132 -5.346) 5.465 10.510 ( 0.000 -1.950 -12.171) 12.326 10.510 ( 0.000 1.950 -12.171) 12.326 10.615 ( 0.000 -0.077 -5.998) 5.998 10.615 ( 0.000 0.077 -5.998) 5.998 10.785 ( 0.000 -0.701 -1.345) 1.517 10.785 ( 0.000 0.701 -1.345) 1.517 11.165 ( 0.000 -1.122 -4.381) 4.523 11.165 ( 0.000 1.122 -4.381) 4.523 11.254 ( 0.000 -0.013 -2.653) 2.653 11.254 ( 0.000 0.013 -2.653) 2.653 11.372 ( 0.000 -5.447 0.438) 5.464 11.372 ( 0.000 5.447 0.438) 5.464 11.762 ( 0.000 -1.514 -2.741) 3.132 11.762 ( 0.000 1.514 -2.741) 3.132 11.953 ( 0.000 -0.267 -6.701) 6.706 11.953 ( 0.000 0.267 -6.701) 6.706 12.204 ( 0.000 -0.708 -2.513) 2.611 12.204 ( 0.000 0.708 -2.513) 2.611 12.417 ( 0.000 -1.870 7.562) 7.789 12.417 ( 0.000 1.870 7.562) 7.789 12.545 ( 0.000 -5.238 -3.918) 6.542 12.545 ( 0.000 5.238 -3.918) 6.542 12.905 ( 0.000 -8.562 -6.361) 10.666 12.905 ( 0.000 8.562 -6.361) 10.666 13.446 ( 0.000 -9.118 12.830) 15.740 13.446 ( 0.000 9.118 12.830) 15.740 13.809 ( 0.000 -1.612 8.512) 8.664 13.809 ( 0.000 1.612 8.512) 8.664 14.009 ( 0.000 -0.175 2.597) 2.603 14.009 ( 0.000 0.175 2.597) 2.603 14.284 ( 0.000 -1.486 8.866) 8.990 14.284 ( 0.000 1.486 8.866) 8.990 14.376 ( 0.000 -6.929 14.737) 16.285 14.376 ( 0.000 6.929 14.737) 16.285 14.620 ( 0.000 -1.773 -1.110) 2.092 14.620 ( 0.000 1.773 -1.110) 2.092 15.520 ( 0.000 -1.832 1.669) 2.478 15.520 ( 0.000 1.832 1.669) 2.478 15.757 ( 0.000 -5.837 2.353) 6.294 15.757 ( 0.000 5.837 2.353) 6.294 16.819 ( 0.000 -6.278 -3.637) 7.255 16.819 ( 0.000 6.278 -3.637) 7.255 17.490 ( 0.000 -5.443 5.679) 7.866 17.490 ( 0.000 5.443 5.679) 7.866 17.666 ( 0.000 -4.067 -1.449) 4.318 17.666 ( 0.000 4.067 -1.449) 4.318 17.962 ( 0.000 -6.173 -0.446) 6.189 17.962 ( 0.000 6.173 -0.446) 6.189 18.485 ( 0.000 -18.709 5.660) 19.546 18.485 ( 0.000 18.709 5.660) 19.546 18.806 ( 0.000 -1.198 10.200) 10.270 18.806 ( 0.000 1.198 10.200) 10.270 19.815 ( 0.000 -0.001 -20.572) 20.572 19.815 ( 0.000 0.001 -20.572) 20.572 20.861 ( 0.000 -15.345 1.462) 15.414 20.861 ( 0.000 15.345 1.462) 15.414 ======================= Grid point 87 (35/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 6.551 0.000 10.579) 12.444 2.313 ( 10.175 -0.000 9.308) 13.790 2.800 ( 2.550 0.000 14.555) 14.777 2.863 ( 7.043 -0.000 19.535) 20.765 3.206 ( -9.484 -0.000 16.003) 18.602 3.255 ( -4.868 0.000 6.789) 8.354 3.412 ( -6.460 0.000 14.165) 15.569 3.522 ( -3.081 0.000 11.854) 12.248 3.626 ( 2.026 -0.000 0.966) 2.245 3.707 ( 3.442 0.000 10.958) 11.486 3.851 ( -4.658 -0.000 10.517) 11.502 4.078 ( 5.744 -0.000 12.972) 14.187 4.118 ( -3.866 0.000 10.335) 11.034 4.149 ( -0.529 -0.000 2.936) 2.984 4.199 ( -1.207 -0.000 5.879) 6.001 4.408 ( 6.180 0.000 15.690) 16.863 4.613 ( -4.451 0.000 -2.212) 4.971 4.778 ( 0.043 0.000 2.692) 2.693 4.887 ( -2.335 0.000 -2.210) 3.215 4.905 ( -1.329 0.000 -3.098) 3.371 5.196 ( 2.363 -0.000 -8.466) 8.790 5.238 ( 2.550 0.000 -4.775) 5.413 5.450 ( -1.838 0.000 -10.458) 10.618 5.510 ( 1.423 0.000 -9.074) 9.185 6.095 ( 1.962 0.000 0.069) 1.964 6.154 ( 5.426 0.000 -2.242) 5.871 6.250 ( 1.080 0.000 2.259) 2.504 6.371 ( 5.082 0.000 0.344) 5.094 6.468 ( 3.883 0.000 -3.361) 5.136 6.487 ( 2.042 0.000 -0.824) 2.202 6.669 ( -6.396 0.000 -4.319) 7.718 6.872 ( -1.444 0.000 0.362) 1.488 7.105 ( -7.761 0.000 -1.495) 7.904 7.178 ( 0.660 0.000 -3.624) 3.684 7.268 ( -5.808 0.000 0.096) 5.809 7.437 ( 0.026 0.000 5.105) 5.105 7.487 ( -4.433 0.000 -2.390) 5.036 7.645 ( 3.712 0.000 -6.793) 7.741 7.751 ( -5.850 0.000 -8.978) 10.716 7.827 ( 1.094 0.000 -2.607) 2.827 7.934 ( 4.696 0.000 -3.957) 6.140 8.108 ( 2.197 0.000 -10.916) 11.135 8.167 ( 0.191 0.000 -3.892) 3.897 8.210 ( -0.567 0.000 -1.407) 1.517 8.312 ( 0.942 0.000 -2.115) 2.315 8.346 ( -2.378 -0.000 1.953) 3.077 8.492 ( -2.479 0.000 0.679) 2.571 8.535 ( 2.812 0.000 -4.127) 4.994 8.749 ( 0.794 0.000 -8.369) 8.407 8.765 ( 5.004 -0.000 -5.912) 7.746 8.893 ( 3.588 0.000 -1.140) 3.765 8.960 ( 2.299 0.000 -4.261) 4.842 8.994 ( -6.265 0.000 -0.578) 6.292 9.214 ( -5.293 -0.000 -9.175) 10.592 9.334 ( -0.599 0.000 2.030) 2.117 9.354 ( 2.520 0.000 -6.822) 7.273 9.421 ( -3.411 0.000 -0.529) 3.452 9.624 ( -2.461 0.000 -4.586) 5.205 9.789 ( -0.911 -0.000 -2.833) 2.975 9.881 ( 7.900 0.000 1.075) 7.973 10.028 ( 2.793 0.000 -4.831) 5.580 10.108 ( 1.185 0.000 0.410) 1.254 10.160 ( -3.003 0.000 -5.205) 6.009 10.325 ( -2.351 0.000 -13.411) 13.615 10.435 ( -5.219 -0.000 -9.456) 10.800 10.458 ( 0.383 0.000 -9.038) 9.046 10.603 ( -0.734 0.000 -9.634) 9.662 10.730 ( 3.629 0.000 -3.781) 5.241 10.823 ( 0.663 0.000 0.916) 1.131 10.918 ( 10.582 0.000 -3.144) 11.039 10.988 ( -10.591 0.000 -4.437) 11.482 11.121 ( -5.147 0.000 -3.797) 6.396 11.196 ( 1.929 -0.000 -10.896) 11.066 11.232 ( -2.564 0.000 -3.567) 4.393 11.428 ( 2.549 0.000 7.066) 7.512 11.464 ( 4.326 0.000 2.823) 5.165 11.715 ( -2.713 0.000 -0.115) 2.716 11.847 ( 5.665 0.000 -1.111) 5.773 11.901 ( -4.222 0.000 -13.659) 14.296 11.989 ( 2.303 0.000 -5.597) 6.052 12.168 ( -0.350 0.000 0.216) 0.411 12.304 ( 4.192 0.000 -6.502) 7.736 12.393 ( 5.456 0.000 9.413) 10.881 12.447 ( -5.050 -0.000 2.910) 5.829 12.506 ( -2.625 0.000 -2.512) 3.633 12.545 ( 2.778 0.000 4.354) 5.164 12.853 ( -4.489 0.000 0.162) 4.492 13.003 ( 5.563 0.000 -6.821) 8.802 13.336 ( -1.839 0.000 9.923) 10.092 13.531 ( -0.738 0.000 10.457) 10.483 13.633 ( -8.276 0.000 5.463) 9.916 13.886 ( -1.679 0.000 0.623) 1.791 13.971 ( 6.095 0.000 5.725) 8.363 14.061 ( -1.355 -0.000 9.397) 9.494 14.262 ( -1.542 0.000 7.556) 7.712 14.264 ( -9.469 -0.000 16.061) 18.644 14.395 ( 0.406 0.000 7.569) 7.580 14.402 ( 5.856 -0.000 4.921) 7.649 14.518 ( 8.008 0.000 5.216) 9.557 14.836 ( 6.781 0.000 2.368) 7.183 15.138 ( -17.491 0.000 -5.221) 18.253 15.494 ( -13.153 0.000 7.407) 15.095 15.840 ( 12.678 0.000 14.419) 19.200 16.023 ( 12.591 0.000 -6.254) 14.058 16.823 ( 1.755 0.000 -1.294) 2.180 16.925 ( 6.556 0.000 -4.858) 8.160 17.305 ( -8.369 0.000 1.636) 8.528 17.473 ( -9.835 -0.000 -3.307) 10.376 17.652 ( 6.425 0.000 7.428) 9.821 17.734 ( 0.924 0.000 3.038) 3.175 17.966 ( 2.769 0.000 -2.122) 3.489 18.070 ( 5.265 0.000 -2.545) 5.848 18.484 ( 0.653 -0.000 2.822) 2.896 18.496 ( 0.463 0.000 6.361) 6.378 18.761 ( -2.577 0.000 6.232) 6.744 18.794 ( -2.682 0.000 10.549) 10.884 19.753 ( 2.327 0.000 -19.285) 19.425 20.037 ( 12.814 0.000 -14.696) 19.498 20.656 ( -13.734 0.000 0.537) 13.744 20.843 ( -6.095 -0.000 0.516) 6.117 ======================= Grid point 89 (36/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 5.422 0.000 13.574) 14.617 2.510 ( 6.132 -0.000 11.240) 12.804 2.872 ( 3.496 0.000 7.104) 7.918 3.014 ( -5.510 -0.000 17.301) 18.158 3.068 ( 9.592 0.000 15.655) 18.360 3.143 ( -4.808 0.000 6.870) 8.386 3.311 ( -2.477 -0.000 20.187) 20.339 3.393 ( -8.276 0.000 17.377) 19.247 3.667 ( 2.047 -0.000 -2.750) 3.428 3.750 ( 0.895 0.000 7.892) 7.942 3.751 ( -4.208 -0.000 0.939) 4.311 4.049 ( -1.610 0.000 15.894) 15.975 4.131 ( -0.583 -0.000 6.270) 6.297 4.161 ( 1.598 0.000 7.597) 7.763 4.198 ( 0.191 -0.000 -1.055) 1.072 4.553 ( -1.237 0.000 5.854) 5.983 4.558 ( 7.103 -0.000 17.362) 18.759 4.740 ( -3.435 0.000 8.578) 9.240 4.842 ( -1.327 0.000 -4.849) 5.028 4.851 ( -2.644 0.000 -8.132) 8.551 5.271 ( 3.734 -0.000 -10.016) 10.689 5.286 ( 1.544 0.000 1.083) 1.886 5.399 ( -2.672 0.000 -10.303) 10.644 5.532 ( 0.506 -0.000 -10.695) 10.707 6.136 ( 1.299 0.000 -0.976) 1.625 6.275 ( 0.707 -0.000 4.215) 4.274 6.287 ( 6.566 0.000 -3.447) 7.416 6.410 ( -2.887 0.000 -3.557) 4.581 6.555 ( 4.196 -0.000 1.908) 4.609 6.570 ( 3.056 0.000 -0.621) 3.119 6.613 ( 1.861 0.000 -3.992) 4.405 6.765 ( -6.167 0.000 -1.445) 6.334 6.961 ( -3.737 0.000 -1.804) 4.150 7.152 ( -4.278 0.000 -4.392) 6.131 7.258 ( 5.616 0.000 0.494) 5.638 7.355 ( -5.467 -0.000 0.196) 5.471 7.378 ( -4.781 0.000 4.951) 6.883 7.707 ( -0.042 -0.000 -10.422) 10.422 7.715 ( 2.283 0.000 -9.688) 9.953 7.887 ( 4.666 0.000 -3.033) 5.565 8.032 ( -8.303 0.000 -5.521) 9.971 8.049 ( 6.401 -0.000 -3.222) 7.166 8.151 ( -0.603 0.000 -10.876) 10.893 8.188 ( -2.959 0.000 -2.761) 4.047 8.271 ( 0.742 -0.000 1.733) 1.885 8.388 ( -6.691 0.000 2.561) 7.165 8.422 ( 5.027 0.000 -1.726) 5.316 8.632 ( 4.338 0.000 -6.775) 8.045 8.724 ( -1.165 0.000 0.957) 1.508 8.835 ( -5.720 0.000 -0.434) 5.737 8.881 ( 5.295 -0.000 -6.021) 8.018 8.970 ( -2.147 0.000 -4.342) 4.844 9.052 ( 5.337 0.000 2.235) 5.786 9.108 ( -2.345 0.000 -6.537) 6.945 9.326 ( -0.369 0.000 3.430) 3.450 9.393 ( 0.315 0.000 -2.772) 2.790 9.450 ( 4.029 0.000 -1.317) 4.239 9.605 ( 0.336 0.000 -5.215) 5.226 9.729 ( -2.779 -0.000 -7.022) 7.552 9.976 ( 0.748 0.000 -2.167) 2.292 9.986 ( -3.349 -0.000 -13.213) 13.630 10.046 ( -2.757 0.000 0.145) 2.760 10.277 ( 8.018 0.000 -9.892) 12.734 10.286 ( -1.473 0.000 -9.457) 9.571 10.397 ( 0.742 0.000 -15.513) 15.531 10.492 ( 0.615 0.000 -4.207) 4.251 10.577 ( -1.895 0.000 -11.134) 11.294 10.699 ( -3.166 0.000 4.105) 5.184 10.767 ( -5.092 0.000 -8.678) 10.061 10.883 ( 3.989 0.000 -1.984) 4.455 10.988 ( -6.326 0.000 -4.962) 8.040 11.066 ( 0.907 0.000 -8.391) 8.440 11.219 ( 0.897 0.000 -4.302) 4.394 11.356 ( 9.387 0.000 -7.368) 11.934 11.413 ( -2.742 -0.000 8.429) 8.864 11.524 ( 0.500 0.000 6.661) 6.679 11.678 ( -0.308 0.000 2.078) 2.101 11.812 ( -2.970 0.000 -11.446) 11.825 11.952 ( 3.173 0.000 1.284) 3.423 12.032 ( -0.032 0.000 -7.243) 7.244 12.206 ( 5.578 0.000 -5.317) 7.707 12.355 ( -2.969 0.000 1.388) 3.277 12.369 ( 1.830 -0.000 -4.468) 4.828 12.453 ( -1.274 0.000 -3.123) 3.373 12.574 ( 0.140 0.000 11.202) 11.203 12.576 ( 7.545 -0.000 5.816) 9.526 12.684 ( -8.884 0.000 11.757) 14.736 13.053 ( -1.921 0.000 1.567) 2.479 13.370 ( 3.863 0.000 4.914) 6.250 13.476 ( -6.234 0.000 3.051) 6.941 13.532 ( 3.783 0.000 4.823) 6.130 13.816 ( -6.551 0.000 -2.985) 7.199 14.063 ( 2.198 0.000 14.877) 15.039 14.072 ( 5.483 -0.000 3.209) 6.353 14.174 ( -1.290 0.000 10.066) 10.148 14.186 ( -4.575 -0.000 6.188) 7.696 14.359 ( -1.981 0.000 8.329) 8.561 14.528 ( 3.932 0.000 -4.737) 6.157 14.707 ( 1.650 0.000 9.441) 9.585 14.916 ( 4.085 -0.000 -2.047) 4.569 14.920 ( 1.733 0.000 7.325) 7.527 15.197 ( -14.601 0.000 7.323) 16.334 16.072 ( 9.392 0.000 16.164) 18.694 16.191 ( 0.767 0.000 3.916) 3.990 16.878 ( 4.329 0.000 -3.923) 5.842 17.042 ( 3.402 0.000 -5.846) 6.764 17.130 ( -8.339 0.000 -11.003) 13.806 17.335 ( -2.357 0.000 1.587) 2.842 17.724 ( 0.187 0.000 7.532) 7.535 17.767 ( 2.402 0.000 8.918) 9.236 18.037 ( 2.719 0.000 -3.127) 4.144 18.139 ( 1.262 0.000 -6.260) 6.386 18.510 ( 1.315 -0.000 0.333) 1.356 18.511 ( 0.982 0.000 5.780) 5.863 18.710 ( -3.882 -0.000 5.002) 6.332 18.712 ( -1.664 0.000 4.158) 4.479 19.898 ( 9.336 0.000 -9.255) 13.146 20.332 ( 14.526 -0.000 -8.227) 16.694 20.342 ( -13.460 0.000 -3.950) 14.027 20.634 ( -12.780 -0.000 -2.112) 12.954 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.000 0.000 27.326) 27.326 2.261 ( 0.000 0.000 32.173) 32.173 2.863 ( 0.000 0.000 10.713) 10.713 3.042 ( 0.000 0.000 18.483) 18.483 3.315 ( 0.000 0.000 4.948) 4.948 3.367 ( 0.000 0.000 6.913) 6.913 3.516 ( 0.000 0.000 2.677) 2.677 3.693 ( 0.000 0.000 17.505) 17.505 3.769 ( 0.000 0.000 5.181) 5.181 3.978 ( 0.000 0.000 11.466) 11.466 4.172 ( 0.000 0.000 4.387) 4.387 4.278 ( 0.000 0.000 -8.298) 8.298 4.351 ( 0.000 0.000 25.303) 25.303 4.374 ( 0.000 0.000 1.030) 1.030 4.490 ( 0.000 0.000 -6.248) 6.248 4.526 ( 0.000 0.000 1.510) 1.510 4.622 ( 0.000 0.000 0.912) 0.912 4.865 ( 0.000 0.000 9.580) 9.580 4.872 ( 0.000 0.000 12.571) 12.571 4.905 ( 0.000 0.000 -10.328) 10.328 4.992 ( 0.000 0.000 -6.835) 6.835 5.105 ( 0.000 0.000 -7.706) 7.706 5.183 ( 0.000 0.000 -9.976) 9.976 5.671 ( 0.000 0.000 -15.786) 15.786 6.085 ( 0.000 0.000 -2.268) 2.268 6.128 ( 0.000 0.000 -2.834) 2.834 6.168 ( 0.000 0.000 9.220) 9.220 6.300 ( 0.000 0.000 3.710) 3.710 6.526 ( 0.000 0.000 -1.281) 1.281 6.644 ( 0.000 0.000 -2.582) 2.582 6.658 ( 0.000 0.000 -2.616) 2.616 6.962 ( 0.000 0.000 -10.256) 10.256 7.017 ( 0.000 0.000 -1.676) 1.676 7.121 ( 0.000 0.000 8.721) 8.721 7.173 ( 0.000 0.000 11.468) 11.468 7.271 ( 0.000 0.000 -1.914) 1.914 7.579 ( 0.000 0.000 -3.704) 3.704 7.637 ( 0.000 0.000 2.865) 2.865 7.759 ( 0.000 0.000 -14.267) 14.267 7.766 ( 0.000 0.000 -6.922) 6.922 7.993 ( 0.000 0.000 -3.304) 3.304 8.167 ( 0.000 0.000 -3.632) 3.632 8.199 ( 0.000 0.000 -2.073) 2.073 8.228 ( 0.000 0.000 -4.418) 4.418 8.335 ( 0.000 0.000 -3.808) 3.808 8.456 ( 0.000 0.000 -1.793) 1.793 8.504 ( 0.000 0.000 -4.536) 4.536 8.577 ( 0.000 0.000 -4.381) 4.381 8.607 ( 0.000 0.000 -4.154) 4.154 8.698 ( 0.000 0.000 3.864) 3.864 8.872 ( 0.000 0.000 4.467) 4.467 8.971 ( 0.000 0.000 -0.218) 0.218 8.980 ( 0.000 0.000 -2.310) 2.310 9.290 ( 0.000 0.000 -10.951) 10.951 9.294 ( 0.000 0.000 -1.209) 1.209 9.331 ( 0.000 0.000 -6.672) 6.672 9.390 ( 0.000 0.000 -13.851) 13.851 9.523 ( 0.000 0.000 -3.431) 3.431 9.741 ( 0.000 0.000 -8.080) 8.080 9.790 ( 0.000 0.000 -10.381) 10.381 9.832 ( 0.000 0.000 1.465) 1.465 9.870 ( 0.000 0.000 -4.375) 4.375 9.985 ( 0.000 0.000 -2.338) 2.338 10.054 ( 0.000 0.000 -5.412) 5.412 10.295 ( 0.000 0.000 0.229) 0.229 10.414 ( 0.000 0.000 -0.003) 0.003 10.549 ( 0.000 0.000 -2.373) 2.373 10.552 ( 0.000 0.000 -5.962) 5.962 10.603 ( 0.000 0.000 -4.854) 4.854 10.815 ( 0.000 0.000 -8.427) 8.427 10.822 ( 0.000 0.000 -10.022) 10.022 10.837 ( 0.000 0.000 -8.077) 8.077 10.901 ( 0.000 0.000 3.368) 3.368 11.108 ( 0.000 0.000 -9.628) 9.628 11.364 ( 0.000 0.000 0.252) 0.252 11.417 ( 0.000 0.000 0.900) 0.900 11.625 ( 0.000 0.000 2.992) 2.992 11.675 ( 0.000 0.000 4.601) 4.601 11.708 ( 0.000 0.000 -11.182) 11.182 11.801 ( 0.000 0.000 1.180) 1.180 12.042 ( 0.000 0.000 0.187) 0.187 12.286 ( 0.000 0.000 -0.271) 0.271 12.401 ( 0.000 0.000 4.174) 4.174 12.621 ( 0.000 0.000 1.563) 1.563 12.664 ( 0.000 0.000 -5.628) 5.628 12.919 ( 0.000 0.000 16.067) 16.067 12.931 ( 0.000 0.000 15.071) 15.071 12.932 ( 0.000 0.000 2.950) 2.950 13.381 ( 0.000 0.000 0.772) 0.772 13.583 ( 0.000 0.000 1.769) 1.769 13.733 ( 0.000 0.000 5.886) 5.886 13.968 ( 0.000 0.000 0.284) 0.284 14.078 ( 0.000 0.000 -1.102) 1.102 14.163 ( 0.000 0.000 21.661) 21.661 14.240 ( 0.000 0.000 -1.224) 1.224 14.347 ( 0.000 0.000 -3.986) 3.986 14.374 ( 0.000 0.000 -2.372) 2.372 14.439 ( 0.000 0.000 2.074) 2.074 14.704 ( 0.000 0.000 14.987) 14.987 15.079 ( 0.000 0.000 -5.369) 5.369 15.398 ( 0.000 0.000 -2.373) 2.373 15.713 ( 0.000 0.000 -13.537) 13.537 15.720 ( 0.000 0.000 20.136) 20.136 15.923 ( 0.000 0.000 17.838) 17.838 16.547 ( 0.000 0.000 -3.275) 3.275 17.033 ( 0.000 0.000 -6.407) 6.407 17.162 ( 0.000 0.000 -2.635) 2.635 17.169 ( 0.000 0.000 -5.585) 5.585 17.555 ( 0.000 0.000 13.532) 13.532 17.724 ( 0.000 0.000 6.012) 6.012 18.027 ( 0.000 0.000 5.103) 5.103 18.418 ( 0.000 0.000 -6.202) 6.202 18.513 ( 0.000 0.000 2.407) 2.407 18.580 ( 0.000 0.000 1.885) 1.885 18.656 ( 0.000 0.000 4.109) 4.109 19.529 ( 0.000 0.000 -16.121) 16.121 19.738 ( 0.000 0.000 -10.988) 10.988 19.837 ( 0.000 0.000 -11.134) 11.134 20.047 ( 0.000 0.000 21.896) 21.896 21.340 ( 0.000 0.000 -10.509) 10.509 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 18.610 0.000 23.506) 29.981 2.337 ( 6.915 0.000 29.808) 30.600 2.864 ( -0.601 0.000 11.892) 11.907 3.003 ( -3.657 0.000 17.179) 17.564 3.289 ( -5.450 0.000 9.267) 10.751 3.346 ( 2.017 0.000 5.906) 6.241 3.527 ( 0.431 0.000 3.919) 3.943 3.676 ( -6.873 0.000 9.285) 11.552 3.732 ( 3.576 0.000 14.809) 15.235 3.955 ( -3.067 0.000 6.340) 7.043 4.086 ( -4.454 0.000 -3.112) 5.433 4.278 ( -1.981 0.000 18.999) 19.102 4.302 ( -5.374 0.000 -4.206) 6.824 4.389 ( 3.467 0.000 -0.330) 3.483 4.459 ( -4.277 0.000 5.866) 7.260 4.573 ( 3.939 0.000 2.204) 4.513 4.589 ( -2.574 0.000 -3.147) 4.065 4.823 ( -1.904 0.000 3.322) 3.829 4.861 ( 0.158 0.000 9.713) 9.714 4.965 ( 2.810 0.000 -2.517) 3.772 5.066 ( 4.372 0.000 -9.341) 10.313 5.111 ( 2.236 0.000 -3.926) 4.518 5.119 ( -5.364 0.000 -6.217) 8.212 5.622 ( -4.851 0.000 -14.179) 14.986 6.063 ( 1.442 0.000 -0.787) 1.643 6.219 ( 3.822 0.000 7.688) 8.586 6.282 ( 9.730 0.000 -3.672) 10.400 6.339 ( 3.943 0.000 3.975) 5.599 6.594 ( 4.787 0.000 -3.000) 5.649 6.606 ( -2.891 0.000 -2.343) 3.721 6.691 ( 3.261 0.000 -1.596) 3.630 6.952 ( -5.382 0.000 0.396) 5.396 6.957 ( -3.987 0.000 1.432) 4.236 7.046 ( 0.086 0.000 -5.402) 5.403 7.220 ( 3.364 0.000 8.586) 9.222 7.278 ( -1.508 0.000 -0.352) 1.549 7.543 ( -5.830 0.000 -4.681) 7.477 7.552 ( -1.752 0.000 -2.806) 3.308 7.790 ( 0.917 0.000 -4.265) 4.362 7.791 ( 1.259 0.000 -6.787) 6.903 8.020 ( 3.055 0.000 -2.629) 4.030 8.138 ( -4.654 0.000 -1.138) 4.791 8.212 ( 3.300 0.000 -5.792) 6.666 8.222 ( -1.592 0.000 -9.472) 9.605 8.378 ( 3.951 0.000 -3.161) 5.060 8.420 ( -10.827 0.000 0.265) 10.831 8.511 ( 4.108 0.000 -0.943) 4.215 8.580 ( 0.094 0.000 -2.448) 2.449 8.589 ( 6.613 0.000 -3.398) 7.434 8.813 ( 4.030 0.000 1.721) 4.382 8.898 ( 1.609 0.000 2.430) 2.915 8.972 ( -0.260 0.000 0.497) 0.561 8.981 ( 3.120 0.000 -7.341) 7.977 9.253 ( -1.569 0.000 -1.145) 1.942 9.258 ( 0.189 0.000 -4.677) 4.681 9.444 ( -6.232 0.000 -11.361) 12.958 9.462 ( 6.817 0.000 -7.801) 10.360 9.471 ( 2.044 0.000 -5.319) 5.698 9.650 ( -6.709 0.000 -6.026) 9.018 9.682 ( -3.152 0.000 -11.888) 12.298 9.800 ( -7.630 0.000 -7.432) 10.651 9.855 ( 1.286 0.000 -5.109) 5.268 10.008 ( -5.162 0.000 -2.638) 5.797 10.045 ( 7.423 0.000 3.235) 8.097 10.354 ( 3.683 0.000 -8.002) 8.809 10.417 ( -1.298 0.000 -2.504) 2.821 10.424 ( -7.291 0.000 -11.195) 13.360 10.514 ( 0.638 0.000 -0.679) 0.932 10.720 ( 5.667 0.000 -1.310) 5.816 10.742 ( -1.603 0.000 -3.403) 3.761 10.793 ( -0.772 0.000 -3.399) 3.485 10.854 ( -1.146 0.000 -6.472) 6.572 11.095 ( 10.575 0.000 -3.886) 11.266 11.116 ( 0.284 0.000 -8.299) 8.304 11.337 ( -2.712 0.000 0.034) 2.712 11.448 ( -0.207 0.000 -2.437) 2.445 11.564 ( -3.702 0.000 0.191) 3.707 11.603 ( -0.356 0.000 2.370) 2.397 11.749 ( 1.513 0.000 -0.802) 1.712 11.827 ( 1.876 0.000 1.627) 2.484 12.092 ( 3.042 0.000 -1.364) 3.334 12.268 ( -13.026 0.000 2.010) 13.180 12.350 ( 3.212 0.000 -2.111) 3.843 12.562 ( -1.115 0.000 2.797) 3.011 12.593 ( -6.104 0.000 -2.598) 6.634 12.785 ( -1.635 0.000 13.307) 13.408 13.002 ( 4.753 0.000 4.848) 6.789 13.029 ( 3.156 0.000 13.240) 13.611 13.449 ( 5.558 0.000 -0.658) 5.597 13.685 ( 5.449 0.000 4.801) 7.262 13.777 ( 3.846 0.000 5.052) 6.350 13.908 ( -6.576 0.000 -5.411) 8.516 14.039 ( -6.849 0.000 15.518) 16.962 14.160 ( 4.104 0.000 7.096) 8.198 14.328 ( 4.283 0.000 5.964) 7.343 14.336 ( 3.926 0.000 -2.708) 4.770 14.426 ( 3.669 0.000 -2.082) 4.218 14.440 ( 0.544 0.000 2.814) 2.866 14.763 ( 4.937 0.000 11.154) 12.198 14.929 ( -11.591 0.000 -2.843) 11.934 15.286 ( -7.652 0.000 -0.799) 7.694 15.474 ( -15.597 0.000 18.929) 24.527 15.791 ( 5.136 0.000 -11.204) 12.325 16.072 ( 5.910 0.000 11.803) 13.200 16.704 ( 11.562 0.000 -6.947) 13.489 16.992 ( -6.529 0.000 0.181) 6.531 17.110 ( 6.676 0.000 -3.356) 7.472 17.318 ( 4.798 0.000 -4.395) 6.507 17.569 ( 1.896 0.000 11.564) 11.718 17.710 ( -0.895 0.000 4.058) 4.156 17.989 ( -2.498 0.000 5.168) 5.740 18.256 ( -9.466 0.000 -2.517) 9.795 18.492 ( -0.891 0.000 4.046) 4.143 18.732 ( 6.461 0.000 -6.612) 9.245 18.798 ( 11.662 0.000 -0.890) 11.695 19.312 ( -9.745 0.000 -4.114) 10.578 19.720 ( -6.121 0.000 -10.712) 12.338 19.960 ( -7.976 0.000 21.199) 22.650 20.070 ( 17.812 0.000 -13.130) 22.128 21.198 ( -12.521 0.000 -9.928) 15.979 ======================= Grid point 107 (39/72) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 10.740 0.000 23.867) 26.172 2.535 ( 18.609 0.000 18.645) 26.343 2.779 ( -7.519 0.000 17.024) 18.610 2.873 ( -9.453 0.000 17.029) 19.477 3.242 ( 2.350 0.000 8.330) 8.655 3.336 ( -4.019 0.000 7.100) 8.158 3.533 ( 0.605 0.000 7.612) 7.636 3.564 ( -2.701 0.000 9.161) 9.551 3.806 ( 2.174 0.000 10.661) 10.880 3.860 ( -4.321 0.000 6.126) 7.497 4.068 ( 3.834 0.000 -8.418) 9.250 4.187 ( -5.491 0.000 -9.231) 10.741 4.253 ( 0.444 0.000 17.763) 17.768 4.328 ( -6.482 0.000 15.014) 16.354 4.443 ( 2.417 0.000 -0.310) 2.436 4.515 ( -4.109 0.000 -2.689) 4.910 4.693 ( 6.604 0.000 -0.927) 6.668 4.792 ( -2.086 0.000 4.235) 4.721 4.876 ( 1.430 0.000 5.117) 5.313 4.949 ( -5.199 0.000 -10.663) 11.863 5.052 ( 1.000 0.000 6.522) 6.598 5.078 ( -0.859 0.000 -0.360) 0.932 5.267 ( 9.532 0.000 -9.217) 13.260 5.470 ( -9.052 0.000 -11.515) 14.647 6.150 ( 6.078 0.000 2.024) 6.406 6.256 ( -1.963 0.000 4.629) 5.028 6.443 ( 4.123 0.000 -1.373) 4.346 6.445 ( 3.912 0.000 4.010) 5.603 6.562 ( 0.670 0.000 -0.441) 0.802 6.624 ( -2.333 0.000 -1.129) 2.592 6.814 ( 6.918 0.000 -1.791) 7.146 6.855 ( -1.881 0.000 -0.044) 1.882 6.889 ( -1.638 0.000 0.815) 1.830 6.994 ( -6.436 0.000 -4.346) 7.766 7.284 ( 2.528 0.000 -5.621) 6.163 7.298 ( 2.895 0.000 -1.844) 3.433 7.464 ( -0.463 0.000 -0.989) 1.092 7.511 ( -2.517 0.000 -0.386) 2.546 7.796 ( 0.514 0.000 -1.362) 1.456 7.808 ( 0.277 0.000 -6.384) 6.390 8.038 ( -3.505 0.000 -3.315) 4.824 8.047 ( -2.420 0.000 -2.474) 3.461 8.186 ( -1.418 0.000 -7.520) 7.653 8.191 ( -4.049 0.000 -1.198) 4.223 8.345 ( 5.490 0.000 -5.303) 7.633 8.428 ( -0.807 0.000 -4.940) 5.005 8.576 ( 1.576 0.000 -1.828) 2.413 8.583 ( 0.352 0.000 -0.076) 0.360 8.752 ( 7.006 0.000 4.515) 8.334 8.868 ( -4.177 0.000 1.967) 4.617 8.901 ( 6.120 0.000 -3.017) 6.823 8.991 ( 0.460 0.000 1.283) 1.363 9.082 ( 3.765 0.000 -7.429) 8.329 9.173 ( -7.147 0.000 -0.548) 7.168 9.292 ( 3.296 0.000 -3.102) 4.526 9.337 ( 1.157 0.000 -11.243) 11.303 9.408 ( -6.613 0.000 -5.354) 8.509 9.450 ( -8.018 0.000 -4.127) 9.018 9.601 ( 4.424 0.000 -8.186) 9.305 9.689 ( -0.870 0.000 -12.161) 12.192 9.771 ( 4.141 0.000 -7.506) 8.573 9.871 ( -5.132 0.000 0.444) 5.151 9.959 ( 7.411 0.000 -15.881) 17.525 10.114 ( -3.317 0.000 -9.130) 9.714 10.301 ( -3.226 0.000 -9.540) 10.070 10.306 ( -3.903 0.000 -9.918) 10.658 10.508 ( 8.666 0.000 -0.653) 8.691 10.589 ( 4.578 0.000 1.438) 4.799 10.726 ( -5.549 0.000 -0.419) 5.565 10.746 ( -2.922 0.000 -2.286) 3.710 10.810 ( 2.479 0.000 -2.453) 3.488 10.812 ( 0.201 0.000 -0.675) 0.704 11.128 ( 1.914 0.000 -3.400) 3.901 11.198 ( -2.773 0.000 -0.986) 2.943 11.302 ( 2.430 0.000 -5.729) 6.223 11.378 ( -4.286 0.000 -4.749) 6.397 11.566 ( 2.825 0.000 -5.088) 5.820 11.622 ( -0.276 0.000 -2.093) 2.111 11.824 ( 4.839 0.000 6.460) 8.071 11.887 ( 4.336 0.000 2.744) 5.131 11.982 ( -9.862 0.000 5.174) 11.137 12.049 ( -6.880 0.000 1.567) 7.056 12.384 ( 2.120 0.000 -1.517) 2.607 12.461 ( -5.173 0.000 -0.706) 5.221 12.678 ( 8.902 0.000 -1.204) 8.983 12.803 ( -1.131 0.000 2.997) 3.204 13.067 ( 1.309 0.000 14.010) 14.071 13.078 ( 1.502 0.000 10.911) 11.014 13.568 ( 5.223 0.000 -1.494) 5.433 13.689 ( -5.828 0.000 -1.551) 6.031 13.816 ( 0.225 0.000 4.009) 4.016 13.836 ( -0.416 0.000 5.944) 5.959 13.988 ( 4.435 0.000 8.635) 9.707 14.121 ( -5.461 0.000 7.109) 8.964 14.367 ( -0.243 0.000 8.486) 8.489 14.369 ( -0.829 0.000 0.752) 1.119 14.516 ( 6.854 0.000 0.601) 6.880 14.664 ( 8.547 0.000 0.862) 8.590 14.706 ( -2.807 0.000 5.516) 6.189 14.859 ( 1.482 0.000 7.792) 7.932 15.132 ( -5.832 0.000 3.062) 6.587 15.162 ( -11.556 0.000 12.321) 16.893 15.919 ( 7.298 0.000 -8.394) 11.123 16.073 ( -5.473 0.000 -1.230) 5.610 16.895 ( 4.856 0.000 -1.519) 5.088 16.927 ( -0.242 0.000 5.978) 5.982 17.259 ( 5.986 0.000 -0.332) 5.996 17.344 ( -1.940 0.000 -2.020) 2.801 17.645 ( 4.400 0.000 5.698) 7.199 17.701 ( -0.504 0.000 1.639) 1.714 17.964 ( 1.294 0.000 2.465) 2.784 18.070 ( -7.796 0.000 -1.030) 7.864 18.525 ( 4.979 0.000 -1.782) 5.289 18.691 ( -8.656 0.000 -12.602) 15.288 19.079 ( 13.448 0.000 -5.368) 14.480 19.258 ( -0.430 0.000 2.483) 2.520 19.590 ( -1.836 0.000 2.469) 3.077 19.739 ( -11.664 0.000 18.337) 21.732 20.465 ( 19.123 0.000 -12.348) 22.763 20.863 ( -18.107 0.000 -10.400) 20.881 ======================= Grid point 110 (40/72) ======================= q-point: ( 0.00 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 0.000 6.361 24.740) 25.545 2.389 ( 0.000 12.214 28.609) 31.107 2.845 ( 0.000 -3.696 9.946) 10.610 3.077 ( 0.000 4.561 17.096) 17.694 3.223 ( 0.000 -1.034 5.657) 5.751 3.539 ( 0.000 1.818 -0.761) 1.971 3.577 ( 0.000 9.410 10.000) 13.731 3.766 ( 0.000 7.640 18.680) 20.182 3.777 ( 0.000 2.107 1.477) 2.573 3.949 ( 0.000 -2.084 9.327) 9.557 4.182 ( 0.000 -0.009 5.709) 5.709 4.221 ( 0.000 -5.498 -7.072) 8.958 4.329 ( 0.000 -8.184 4.120) 9.163 4.404 ( 0.000 5.846 26.971) 27.597 4.418 ( 0.000 -3.439 1.814) 3.888 4.544 ( 0.000 4.925 -4.826) 6.895 4.554 ( 0.000 -10.761 0.645) 10.780 4.763 ( 0.000 -1.036 5.084) 5.188 4.832 ( 0.000 -2.199 11.823) 12.026 4.950 ( 0.000 3.055 -8.921) 9.430 5.048 ( 0.000 -1.730 -9.402) 9.559 5.064 ( 0.000 5.200 -6.977) 8.702 5.393 ( 0.000 9.921 -0.281) 9.925 5.572 ( 0.000 -9.588 -14.824) 17.655 6.046 ( 0.000 -2.848 0.485) 2.889 6.109 ( 0.000 -1.526 -2.453) 2.888 6.192 ( 0.000 2.206 3.384) 4.040 6.288 ( 0.000 -0.482 4.000) 4.029 6.476 ( 0.000 -2.982 1.195) 3.213 6.631 ( 0.000 -3.073 -2.455) 3.933 6.704 ( 0.000 2.821 -4.268) 5.116 6.935 ( 0.000 -2.864 -8.124) 8.614 7.036 ( 0.000 2.907 -0.038) 2.907 7.140 ( 0.000 1.565 6.092) 6.290 7.177 ( 0.000 1.762 6.790) 7.015 7.263 ( 0.000 -1.531 -0.369) 1.575 7.519 ( 0.000 -2.120 -1.244) 2.458 7.697 ( 0.000 -3.956 -8.661) 9.521 7.727 ( 0.000 4.540 -1.150) 4.683 7.797 ( 0.000 0.978 -13.912) 13.946 7.986 ( 0.000 -1.851 -2.879) 3.423 8.084 ( 0.000 -6.397 -3.415) 7.252 8.093 ( 0.000 -7.183 -1.251) 7.291 8.254 ( 0.000 -1.200 -4.180) 4.349 8.304 ( 0.000 -0.870 -3.330) 3.442 8.437 ( 0.000 -3.488 -4.493) 5.688 8.456 ( 0.000 -4.314 1.484) 4.562 8.514 ( 0.000 0.909 -3.867) 3.973 8.611 ( 0.000 0.168 -3.248) 3.252 8.708 ( 0.000 -2.392 -3.455) 4.202 8.847 ( 0.000 -4.259 0.523) 4.291 8.990 ( 0.000 -0.885 -1.054) 1.376 9.015 ( 0.000 3.479 1.019) 3.625 9.242 ( 0.000 -4.251 2.064) 4.725 9.281 ( 0.000 -1.068 -8.696) 8.761 9.365 ( 0.000 -4.358 -13.264) 13.962 9.378 ( 0.000 4.591 -9.631) 10.669 9.484 ( 0.000 -0.098 -4.590) 4.591 9.684 ( 0.000 -3.273 -7.379) 8.072 9.698 ( 0.000 -5.122 -10.052) 11.281 9.837 ( 0.000 -2.152 -9.294) 9.540 9.915 ( 0.000 4.497 2.662) 5.226 10.063 ( 0.000 6.469 -6.280) 9.015 10.064 ( 0.000 4.978 -1.229) 5.127 10.330 ( 0.000 -2.608 4.067) 4.831 10.402 ( 0.000 2.180 -3.643) 4.246 10.524 ( 0.000 -2.774 -1.137) 2.998 10.544 ( 0.000 -0.575 -4.706) 4.741 10.688 ( 0.000 2.649 -7.111) 7.589 10.804 ( 0.000 -0.804 -9.708) 9.741 10.859 ( 0.000 3.463 -8.524) 9.201 10.862 ( 0.000 7.980 -5.986) 9.976 11.020 ( 0.000 6.686 -5.408) 8.599 11.204 ( 0.000 8.173 -3.205) 8.779 11.269 ( 0.000 -3.883 4.453) 5.908 11.538 ( 0.000 5.899 -3.181) 6.702 11.619 ( 0.000 -0.523 1.760) 1.836 11.700 ( 0.000 -1.320 -6.429) 6.563 11.725 ( 0.000 5.050 4.185) 6.559 11.804 ( 0.000 0.481 -0.948) 1.063 12.049 ( 0.000 1.184 0.611) 1.332 12.239 ( 0.000 -3.959 -1.941) 4.409 12.412 ( 0.000 0.811 3.836) 3.921 12.589 ( 0.000 -1.962 0.378) 1.998 12.665 ( 0.000 -0.278 -2.556) 2.571 12.800 ( 0.000 -7.061 12.034) 13.953 12.862 ( 0.000 -4.759 14.729) 15.479 12.984 ( 0.000 -0.059 2.043) 2.044 13.398 ( 0.000 2.809 4.329) 5.161 13.687 ( 0.000 8.416 1.630) 8.572 13.754 ( 0.000 1.821 4.739) 5.077 14.028 ( 0.000 2.234 -0.749) 2.356 14.050 ( 0.000 -3.488 9.591) 10.206 14.144 ( 0.000 2.034 -1.517) 2.537 14.147 ( 0.000 -5.315 2.074) 5.705 14.411 ( 0.000 4.299 -3.452) 5.513 14.422 ( 0.000 0.647 2.784) 2.858 14.527 ( 0.000 9.450 9.612) 13.480 14.640 ( 0.000 -4.378 11.321) 12.138 15.012 ( 0.000 -8.218 -1.233) 8.310 15.377 ( 0.000 2.210 1.795) 2.847 15.621 ( 0.000 -6.738 -10.617) 12.574 15.848 ( 0.000 7.602 17.885) 19.434 15.989 ( 0.000 4.203 14.822) 15.406 16.569 ( 0.000 2.252 -2.810) 3.601 17.008 ( 0.000 -3.516 -6.930) 7.771 17.205 ( 0.000 3.348 -6.388) 7.212 17.218 ( 0.000 6.296 -5.085) 8.093 17.544 ( 0.000 0.636 11.731) 11.749 17.777 ( 0.000 4.284 6.613) 7.880 17.943 ( 0.000 -6.239 4.779) 7.859 18.394 ( 0.000 -4.645 -1.305) 4.825 18.404 ( 0.000 -5.512 3.408) 6.481 18.712 ( 0.000 8.135 1.577) 8.287 18.718 ( 0.000 6.791 1.340) 6.922 19.404 ( 0.000 -14.050 -9.808) 17.135 19.617 ( 0.000 -10.449 -6.028) 12.064 19.664 ( 0.000 -6.728 -11.339) 13.185 20.296 ( 0.000 15.277 9.104) 17.784 21.279 ( 0.000 -5.821 -8.523) 10.321 ======================= Grid point 111 (41/72) ======================= q-point: ( 0.20 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 14.919 3.592 23.047) 27.688 2.477 ( 8.359 12.450 25.410) 29.505 2.882 ( 2.679 -1.091 10.453) 10.846 3.007 ( -6.124 2.668 16.913) 18.185 3.226 ( 0.393 0.341 6.518) 6.539 3.513 ( -2.320 3.588 4.232) 6.013 3.584 ( -0.394 8.319 7.451) 11.175 3.709 ( -3.880 3.690 7.620) 9.313 3.792 ( -0.360 5.430 13.678) 14.721 3.884 ( -4.432 -4.187 7.196) 9.432 4.104 ( -3.122 0.044 -2.364) 3.917 4.210 ( -2.236 -5.549 -3.949) 7.168 4.300 ( -4.470 -0.955 13.496) 14.249 4.341 ( -0.084 -7.095 10.889) 12.997 4.473 ( -0.586 1.588 2.399) 2.936 4.536 ( -0.619 2.232 0.491) 2.368 4.590 ( 2.305 -7.670 3.961) 8.935 4.704 ( -2.452 0.458 2.185) 3.316 4.857 ( -0.322 -0.095 3.500) 3.516 4.943 ( 1.018 -0.259 -3.779) 3.922 5.047 ( 0.743 0.184 -2.702) 2.809 5.145 ( 6.192 4.575 -7.317) 10.621 5.369 ( -2.401 10.845 0.283) 11.111 5.551 ( -2.428 -7.061 -13.585) 15.502 6.039 ( 1.460 -1.655 -0.484) 2.259 6.192 ( 4.733 -2.313 2.214) 5.714 6.279 ( 6.753 -0.355 -0.986) 6.834 6.332 ( 4.623 -0.278 3.777) 5.976 6.511 ( 1.507 -3.169 1.356) 3.762 6.626 ( 1.006 -2.856 -3.485) 4.617 6.694 ( 0.406 -0.951 -2.476) 2.683 6.916 ( -7.124 1.646 1.480) 7.460 7.022 ( -0.088 0.232 -2.746) 2.757 7.056 ( -1.360 2.281 -2.960) 3.976 7.216 ( -0.123 -0.800 2.545) 2.671 7.249 ( -0.246 -0.518 2.948) 3.004 7.480 ( -2.317 -2.742 -1.087) 3.751 7.622 ( -3.961 2.614 -8.357) 9.611 7.743 ( -0.528 -2.574 -0.342) 2.650 7.826 ( 0.979 1.619 -10.153) 10.328 7.974 ( -1.170 -3.504 -3.314) 4.963 8.029 ( -2.327 -9.785 -0.574) 10.074 8.135 ( 2.329 -4.845 -4.992) 7.336 8.271 ( -0.002 -2.157 -3.273) 3.920 8.301 ( -0.055 -0.487 -4.913) 4.937 8.415 ( -1.805 -1.245 -2.582) 3.387 8.505 ( 1.700 -1.279 -2.411) 3.216 8.562 ( 0.720 -1.644 -2.456) 3.042 8.600 ( 7.023 2.261 -2.421) 7.765 8.788 ( 2.830 -2.242 1.620) 3.958 8.865 ( 2.793 -5.780 -2.224) 6.794 8.954 ( 0.500 1.326 -0.134) 1.423 9.053 ( -0.028 4.178 -2.795) 5.027 9.223 ( 0.092 -6.402 -2.964) 7.056 9.279 ( -0.413 0.795 -4.369) 4.460 9.359 ( -4.142 -2.961 -3.411) 6.128 9.426 ( 2.481 -2.990 -13.536) 14.083 9.505 ( 4.330 1.357 -8.667) 9.783 9.623 ( -4.045 0.618 -8.033) 9.015 9.699 ( -1.050 -1.992 -7.524) 7.854 9.788 ( -0.741 -0.402 -7.948) 7.993 9.897 ( -7.776 2.940 -7.969) 11.515 10.009 ( -2.557 3.552 -6.372) 7.730 10.097 ( 7.402 3.248 4.001) 9.019 10.280 ( -1.488 -2.410 -4.750) 5.530 10.334 ( -4.744 -1.217 -1.663) 5.172 10.529 ( -5.204 -1.469 -7.927) 9.596 10.590 ( 1.868 3.946 -0.686) 4.420 10.662 ( -0.885 2.522 -4.686) 5.394 10.760 ( -3.594 -1.027 -4.476) 5.831 10.815 ( 3.151 2.589 -5.739) 7.040 10.907 ( 1.212 1.991 -6.477) 6.883 11.080 ( 2.309 4.177 -4.246) 6.388 11.239 ( 0.035 4.687 -3.244) 5.700 11.333 ( 4.174 3.710 0.746) 5.634 11.539 ( -2.302 0.504 1.437) 2.761 11.594 ( 0.580 4.714 1.229) 4.906 11.641 ( 0.917 4.754 -0.559) 4.874 11.782 ( 1.809 2.760 -1.253) 3.530 11.820 ( 1.587 -0.262 -0.358) 1.648 12.103 ( 3.948 1.475 -0.998) 4.331 12.279 ( -4.003 -1.374 0.029) 4.232 12.315 ( -2.162 -0.472 -1.374) 2.605 12.550 ( -2.915 -0.210 0.849) 3.043 12.592 ( -4.513 -0.042 0.479) 4.538 12.762 ( -0.560 -2.946 10.903) 11.308 12.929 ( 5.782 -5.572 10.841) 13.491 13.045 ( 3.095 0.775 6.133) 6.913 13.448 ( 3.252 -0.385 1.735) 3.706 13.646 ( 1.033 -1.561 4.176) 4.576 13.824 ( -1.205 2.754 0.542) 3.055 13.968 ( -4.638 2.478 0.188) 5.262 14.004 ( -3.294 0.810 9.565) 10.149 14.155 ( 3.508 -1.997 4.789) 6.263 14.259 ( 6.986 -3.886 0.729) 8.028 14.348 ( -3.023 -1.361 0.525) 3.356 14.483 ( 3.041 5.201 7.007) 9.241 14.525 ( 1.518 7.274 3.080) 8.044 14.713 ( 4.556 -2.451 7.370) 9.005 14.887 ( -8.151 -5.003 1.995) 9.770 15.277 ( -6.798 0.965 2.554) 7.326 15.579 ( -13.390 6.719 14.907) 21.134 15.766 ( 6.571 -1.376 -9.440) 11.584 16.143 ( 6.422 5.153 11.865) 14.442 16.690 ( 9.336 -0.622 -4.755) 10.495 16.995 ( -2.914 -0.517 -0.751) 3.053 17.130 ( -0.250 0.982 -6.024) 6.109 17.359 ( 7.174 4.841 -4.567) 9.785 17.537 ( -0.384 -0.989 10.892) 10.944 17.759 ( -0.743 3.271 3.065) 4.544 17.949 ( 0.605 -2.750 5.401) 6.091 18.281 ( -7.772 0.813 -2.472) 8.196 18.449 ( 0.837 -4.978 1.368) 5.230 18.589 ( 0.422 -3.442 1.983) 3.995 19.007 ( 12.507 11.874 -6.534) 18.442 19.232 ( -9.078 -8.096 -3.402) 12.630 19.470 ( -4.719 -16.165 0.338) 16.843 19.996 ( 17.661 -5.260 -12.028) 22.005 20.197 ( -8.592 13.871 8.421) 18.361 21.143 ( -12.063 -5.273 -8.257) 15.540 ======================= Grid point 112 (42/72) ======================= q-point: ( 0.40 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 13.330 0.607 21.651) 25.433 2.719 ( 11.701 9.161 17.058) 22.623 2.807 ( -8.626 1.910 19.710) 21.600 2.928 ( -2.632 6.220 12.460) 14.173 3.268 ( 4.289 2.900 7.248) 8.907 3.418 ( -6.526 6.265 7.764) 11.921 3.556 ( -0.929 1.235 5.906) 6.105 3.610 ( -5.029 1.363 7.423) 9.069 3.768 ( 0.658 -3.201 6.237) 7.041 3.833 ( -1.942 2.062 10.773) 11.139 4.111 ( 3.148 1.797 -5.093) 6.251 4.166 ( -1.542 -3.147 -5.410) 6.446 4.234 ( -0.494 -2.559 14.768) 14.997 4.308 ( -3.877 -1.067 13.238) 13.835 4.423 ( -1.969 -2.428 0.355) 3.146 4.502 ( -1.747 -0.032 -0.561) 1.835 4.631 ( 1.350 -7.195 4.064) 8.373 4.670 ( -1.164 0.281 -0.581) 1.331 4.860 ( 1.043 1.887 -0.690) 2.264 4.940 ( -1.331 -2.985 -3.875) 5.069 5.119 ( 4.978 4.191 7.149) 9.667 5.262 ( -0.127 8.429 -0.236) 8.433 5.324 ( 3.272 5.497 -5.923) 8.718 5.458 ( -6.175 -1.676 -11.490) 13.152 6.112 ( 4.562 -2.285 1.433) 5.300 6.237 ( -1.104 -1.888 2.278) 3.158 6.402 ( 3.649 -3.517 -3.489) 6.153 6.434 ( 1.945 -2.020 4.447) 5.258 6.537 ( 3.381 0.077 2.889) 4.448 6.667 ( 0.615 -0.555 -5.304) 5.368 6.743 ( 2.615 -4.876 3.077) 6.331 6.803 ( -0.547 -0.541 0.442) 0.887 6.887 ( -6.704 -1.062 -0.531) 6.808 7.048 ( -4.346 2.247 -5.319) 7.227 7.206 ( 2.109 -3.026 -6.919) 7.841 7.315 ( 3.062 -0.816 0.138) 3.172 7.464 ( 1.696 0.296 2.651) 3.160 7.546 ( -3.605 2.784 -5.573) 7.198 7.722 ( 0.067 -4.640 -0.447) 4.662 7.796 ( -3.851 -2.962 -4.919) 6.913 7.961 ( -0.192 -4.954 -3.135) 5.865 7.992 ( -0.119 -4.699 -1.663) 4.986 8.161 ( -2.701 -1.547 -4.841) 5.756 8.228 ( 0.738 -3.437 -3.202) 4.755 8.320 ( 0.667 1.834 -11.027) 11.198 8.401 ( -0.062 -1.051 -2.301) 2.530 8.522 ( 0.406 -4.262 -1.086) 4.417 8.583 ( 0.702 -0.561 1.129) 1.443 8.750 ( 4.204 0.435 2.215) 4.772 8.858 ( 5.092 -2.353 0.681) 5.650 8.928 ( 1.810 0.409 -0.578) 1.943 8.983 ( 1.247 -0.519 0.077) 1.353 9.043 ( -1.032 -1.178 -7.450) 7.612 9.148 ( -7.346 -3.043 -0.699) 7.982 9.281 ( 3.267 -0.333 -4.650) 5.693 9.334 ( 2.866 0.473 -3.125) 4.267 9.449 ( -3.397 0.805 -10.173) 10.756 9.499 ( -2.385 1.410 -10.516) 10.875 9.541 ( -4.394 -1.639 -9.929) 10.980 9.667 ( -0.291 -2.043 -10.657) 10.855 9.764 ( 0.222 -1.855 -4.178) 4.577 9.934 ( 7.670 0.383 -15.643) 17.427 10.002 ( 2.094 7.501 -6.316) 10.027 10.135 ( -6.754 2.461 -9.583) 11.980 10.241 ( 0.180 -2.867 -3.877) 4.826 10.311 ( 1.261 0.936 -5.580) 5.797 10.447 ( -2.179 -7.846 -1.162) 8.225 10.590 ( 0.694 0.339 -2.307) 2.433 10.641 ( 1.398 1.922 0.497) 2.429 10.709 ( -2.306 -1.600 -2.761) 3.938 10.833 ( -6.313 4.080 -1.338) 7.635 10.951 ( 5.778 2.641 -5.388) 8.330 11.090 ( 0.491 -0.757 -3.643) 3.752 11.186 ( -3.936 0.761 -0.010) 4.009 11.409 ( 2.084 6.596 -2.788) 7.458 11.496 ( -1.133 7.759 -0.657) 7.869 11.633 ( 3.638 5.158 0.047) 6.312 11.683 ( 0.324 5.698 -0.853) 5.771 11.825 ( 2.841 -0.190 4.325) 5.178 11.880 ( 2.093 0.266 -0.857) 2.278 12.001 ( -9.404 2.404 3.840) 10.438 12.221 ( 0.762 14.363 -1.074) 14.423 12.346 ( 1.366 -2.773 -2.716) 4.115 12.472 ( -2.693 0.201 -1.364) 3.026 12.628 ( 6.300 -3.779 0.685) 7.378 12.759 ( -2.619 -4.542 1.447) 5.439 13.025 ( 3.646 -3.341 14.827) 15.630 13.081 ( -0.148 -0.010 11.552) 11.553 13.494 ( 1.466 -5.493 -2.102) 6.061 13.684 ( -4.137 -2.785 -1.580) 5.231 13.750 ( 2.672 -2.198 3.713) 5.075 13.915 ( -0.462 4.883 4.710) 6.800 13.996 ( 1.953 -0.562 5.948) 6.286 14.143 ( -4.578 1.274 7.160) 8.594 14.235 ( -3.455 -5.433 5.099) 8.213 14.404 ( 3.943 -2.696 4.995) 6.911 14.544 ( 2.660 4.628 1.567) 5.563 14.623 ( 1.350 -2.451 1.614) 3.230 14.687 ( -2.782 -2.319 2.581) 4.447 14.907 ( 10.280 4.728 12.099) 16.566 15.174 ( -2.196 2.413 2.341) 4.016 15.254 ( -15.554 7.404 14.021) 22.211 15.939 ( 7.823 2.629 -8.704) 11.995 16.172 ( -3.241 7.572 -0.412) 8.247 16.871 ( 6.410 -1.909 -2.076) 7.003 16.948 ( -1.151 1.380 3.479) 3.915 17.128 ( -0.468 -7.107 -0.194) 7.125 17.399 ( -2.456 -0.027 10.849) 11.124 17.635 ( 8.033 3.400 -4.414) 9.776 17.760 ( -0.318 2.834 -0.611) 2.917 17.976 ( 2.723 1.146 2.874) 4.121 18.105 ( -8.030 2.457 -4.613) 9.581 18.471 ( 1.801 -5.459 -1.694) 5.993 18.604 ( -1.578 -5.181 -3.568) 6.486 19.029 ( -0.658 -6.071 -4.903) 7.831 19.230 ( -2.493 -6.664 -3.491) 7.926 19.524 ( 12.591 2.704 10.858) 16.844 19.922 ( -14.075 11.801 9.055) 20.479 20.403 ( 18.469 -5.641 -11.508) 22.480 20.819 ( -17.294 -4.346 -9.033) 19.989 ======================= Grid point 115 (43/72) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 11.669 18.841) 22.162 2.665 ( 0.000 -7.607 11.829) 14.064 2.745 ( 0.000 16.330 20.330) 26.077 3.238 ( 0.000 10.430 12.000) 15.900 3.269 ( 0.000 3.689 8.514) 9.279 3.573 ( 0.000 0.550 -0.003) 0.550 3.584 ( 0.000 -6.859 7.234) 9.969 3.805 ( 0.000 -7.702 4.670) 9.007 3.893 ( 0.000 0.751 8.127) 8.162 4.003 ( 0.000 10.739 12.894) 16.780 4.022 ( 0.000 -10.260 2.491) 10.558 4.179 ( 0.000 0.454 6.018) 6.035 4.189 ( 0.000 -2.599 -2.147) 3.371 4.365 ( 0.000 3.366 2.091) 3.963 4.471 ( 0.000 -1.419 8.109) 8.232 4.556 ( 0.000 6.650 19.278) 20.393 4.647 ( 0.000 4.381 7.932) 9.061 4.743 ( 0.000 -1.438 2.723) 3.080 4.835 ( 0.000 3.341 5.501) 6.436 4.977 ( 0.000 -1.092 -9.289) 9.353 5.019 ( 0.000 -0.672 -2.866) 2.943 5.158 ( 0.000 1.952 -6.644) 6.925 5.329 ( 0.000 -10.471 -10.185) 14.608 5.483 ( 0.000 -1.610 6.029) 6.240 6.006 ( 0.000 -0.532 -1.104) 1.225 6.073 ( 0.000 -2.117 -3.129) 3.778 6.264 ( 0.000 4.994 -0.577) 5.028 6.296 ( 0.000 1.357 5.116) 5.293 6.421 ( 0.000 -2.654 2.705) 3.790 6.534 ( 0.000 -5.941 -2.828) 6.580 6.719 ( 0.000 -0.208 -2.279) 2.288 6.847 ( 0.000 -5.359 -5.377) 7.591 7.128 ( 0.000 3.692 -2.253) 4.325 7.208 ( 0.000 6.865 0.335) 6.873 7.220 ( 0.000 -1.948 0.055) 1.949 7.258 ( 0.000 5.474 1.969) 5.817 7.495 ( 0.000 -1.165 -0.448) 1.249 7.595 ( 0.000 -6.059 -10.215) 11.877 7.781 ( 0.000 0.760 -2.296) 2.418 7.798 ( 0.000 -1.274 -9.771) 9.853 7.843 ( 0.000 -7.590 -2.400) 7.961 7.923 ( 0.000 -8.235 -4.993) 9.630 8.097 ( 0.000 4.790 -4.449) 6.537 8.200 ( 0.000 -2.241 1.768) 2.854 8.314 ( 0.000 0.656 -6.499) 6.532 8.350 ( 0.000 -3.764 2.554) 4.549 8.423 ( 0.000 0.246 -4.429) 4.436 8.506 ( 0.000 -1.666 -1.331) 2.132 8.602 ( 0.000 -2.095 -6.593) 6.917 8.608 ( 0.000 -6.103 -5.436) 8.173 8.783 ( 0.000 -0.856 -2.690) 2.822 8.885 ( 0.000 -6.957 -2.875) 7.528 9.023 ( 0.000 -1.283 -0.460) 1.363 9.192 ( 0.000 -5.814 -3.551) 6.812 9.227 ( 0.000 3.077 -0.819) 3.184 9.350 ( 0.000 -0.054 -9.918) 9.918 9.460 ( 0.000 -1.306 -6.950) 7.072 9.488 ( 0.000 4.324 -11.263) 12.065 9.642 ( 0.000 -0.042 -5.380) 5.380 9.714 ( 0.000 5.341 -14.460) 15.415 9.771 ( 0.000 -2.678 -5.262) 5.904 10.004 ( 0.000 0.305 1.316) 1.351 10.171 ( 0.000 4.481 -5.335) 6.967 10.179 ( 0.000 3.914 -8.431) 9.295 10.287 ( 0.000 -1.316 2.762) 3.060 10.328 ( 0.000 -5.364 -6.581) 8.490 10.539 ( 0.000 3.388 0.596) 3.440 10.570 ( 0.000 2.731 -1.477) 3.104 10.733 ( 0.000 1.732 -3.354) 3.775 10.776 ( 0.000 -1.832 -5.491) 5.788 10.977 ( 0.000 5.587 -7.771) 9.571 10.981 ( 0.000 3.563 -7.387) 8.201 11.144 ( 0.000 5.254 -5.911) 7.908 11.225 ( 0.000 -0.675 3.346) 3.414 11.357 ( 0.000 5.216 3.770) 6.436 11.558 ( 0.000 -5.201 0.962) 5.289 11.620 ( 0.000 1.559 -2.692) 3.110 11.687 ( 0.000 1.220 -5.142) 5.284 11.834 ( 0.000 2.610 -2.278) 3.465 11.850 ( 0.000 5.326 2.342) 5.818 12.091 ( 0.000 2.290 -0.471) 2.338 12.164 ( 0.000 -2.839 -4.015) 4.917 12.429 ( 0.000 1.103 2.175) 2.439 12.540 ( 0.000 -3.283 -2.177) 3.939 12.667 ( 0.000 0.221 4.809) 4.815 12.680 ( 0.000 -3.923 11.637) 12.280 12.782 ( 0.000 -1.022 9.457) 9.512 12.947 ( 0.000 -3.321 -2.519) 4.169 13.490 ( 0.000 5.802 8.341) 10.160 13.764 ( 0.000 -2.712 2.635) 3.781 13.852 ( 0.000 5.734 1.921) 6.047 13.944 ( 0.000 -5.356 -4.740) 7.152 14.011 ( 0.000 0.968 2.912) 3.069 14.120 ( 0.000 -0.725 9.657) 9.684 14.229 ( 0.000 5.456 -0.482) 5.477 14.452 ( 0.000 3.412 2.066) 3.989 14.454 ( 0.000 -3.196 3.729) 4.911 14.603 ( 0.000 2.326 2.524) 3.432 14.707 ( 0.000 6.667 15.417) 16.797 14.832 ( 0.000 -7.406 1.454) 7.548 15.433 ( 0.000 1.519 4.231) 4.496 15.495 ( 0.000 -4.824 -8.992) 10.204 15.958 ( 0.000 3.744 18.552) 18.926 16.044 ( 0.000 0.753 15.316) 15.334 16.640 ( 0.000 4.679 -2.090) 5.124 16.893 ( 0.000 -6.957 -4.219) 8.137 17.289 ( 0.000 4.452 -8.695) 9.768 17.355 ( 0.000 4.272 -11.152) 11.943 17.633 ( 0.000 8.095 7.021) 10.715 17.834 ( 0.000 -3.830 5.574) 6.763 17.880 ( 0.000 5.649 6.618) 8.701 18.230 ( 0.000 -10.267 2.897) 10.668 18.356 ( 0.000 2.754 5.508) 6.159 18.881 ( 0.000 8.103 2.624) 8.517 18.882 ( 0.000 5.914 2.084) 6.270 19.021 ( 0.000 -19.288 -1.077) 19.318 19.451 ( 0.000 -6.957 -14.467) 16.053 19.499 ( 0.000 -8.476 -13.939) 16.313 20.600 ( 0.000 14.431 4.431) 15.096 21.114 ( 0.000 -10.131 -4.250) 10.987 ======================= Grid point 116 (44/72) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 11.419 9.878 18.493) 23.873 2.736 ( 5.899 -5.337 11.762) 14.200 2.818 ( 6.448 13.467 17.905) 23.314 3.154 ( -6.377 10.140 13.402) 17.975 3.279 ( 0.447 3.391 8.926) 9.559 3.531 ( -0.991 -1.620 0.064) 1.901 3.618 ( -1.059 -4.834 5.914) 7.711 3.767 ( -5.552 -4.096 8.895) 11.257 3.839 ( -3.194 2.573 9.468) 10.318 3.925 ( -4.055 -3.575 4.924) 7.312 4.046 ( 0.192 0.680 6.402) 6.441 4.116 ( -2.191 0.849 1.533) 2.806 4.200 ( -0.687 -1.881 2.675) 3.342 4.320 ( -2.323 2.520 8.104) 8.799 4.470 ( -0.792 0.651 6.869) 6.945 4.574 ( -2.873 2.102 6.361) 7.290 4.611 ( 1.988 3.617 6.271) 7.507 4.760 ( -3.269 3.078 -4.278) 6.201 4.829 ( 2.234 -0.847 7.806) 8.163 4.977 ( -0.804 2.483 -4.850) 5.508 5.050 ( 3.896 -0.704 4.579) 6.053 5.206 ( 4.014 1.170 -6.538) 7.761 5.342 ( 0.794 -10.017 -9.018) 13.502 5.487 ( -0.039 -0.673 5.954) 5.992 6.028 ( 2.610 0.887 -2.274) 3.573 6.137 ( 4.213 -3.181 -1.773) 5.568 6.283 ( 1.942 1.708 -2.263) 3.437 6.343 ( 3.545 1.282 5.193) 6.417 6.475 ( 4.311 -0.990 2.543) 5.102 6.531 ( 0.731 -5.421 -2.073) 5.850 6.637 ( -3.473 -3.136 -1.864) 5.037 6.938 ( -2.249 -3.399 -0.782) 4.151 7.014 ( -0.628 3.024 -4.169) 5.188 7.122 ( -5.880 0.878 -1.892) 6.239 7.186 ( -4.522 1.841 -1.291) 5.050 7.323 ( 2.496 5.892 0.021) 6.398 7.459 ( -1.404 1.143 -0.011) 1.810 7.599 ( -0.890 -4.509 -6.190) 7.710 7.704 ( -2.466 -4.986 -7.831) 9.606 7.784 ( -2.169 -3.214 -1.336) 4.101 7.860 ( -0.950 -3.925 -4.841) 6.305 7.925 ( 0.514 -3.926 -6.725) 7.804 8.056 ( -1.890 0.960 -3.077) 3.736 8.205 ( 0.394 -2.837 -0.104) 2.866 8.317 ( 0.999 0.470 -3.616) 3.781 8.407 ( 2.558 0.130 -1.403) 2.920 8.456 ( -0.008 -3.023 -3.332) 4.499 8.517 ( 1.291 -2.209 -1.831) 3.146 8.644 ( 6.499 0.518 -4.973) 8.200 8.706 ( 6.222 -5.200 -1.940) 8.338 8.791 ( 0.836 -0.450 -2.137) 2.339 8.908 ( 1.640 -6.042 -3.653) 7.249 9.069 ( 3.516 -3.718 -0.727) 5.168 9.116 ( -4.387 -0.012 -2.268) 4.938 9.260 ( 1.718 -1.813 -4.345) 5.012 9.318 ( -5.065 -1.082 -4.362) 6.772 9.379 ( 1.856 -1.108 -8.413) 8.687 9.515 ( -2.585 -1.358 -10.293) 10.699 9.660 ( -4.105 1.969 -9.649) 10.669 9.698 ( 2.416 1.095 -10.663) 10.988 9.779 ( 0.365 2.441 -7.580) 7.972 9.943 ( -5.675 0.551 -10.441) 11.896 10.103 ( -4.983 3.673 -7.364) 9.620 10.171 ( 2.301 2.241 0.898) 3.335 10.256 ( 2.716 1.171 -2.693) 4.000 10.335 ( -1.800 -0.182 -1.254) 2.201 10.488 ( -7.248 -0.356 -3.059) 7.875 10.635 ( 3.109 1.136 -3.295) 4.670 10.745 ( -3.161 2.280 -5.544) 6.777 10.783 ( -4.792 2.729 -5.550) 7.824 10.868 ( 3.561 5.583 -3.969) 7.720 10.952 ( 0.977 1.716 -4.950) 5.329 11.133 ( -1.766 -0.853 -1.312) 2.360 11.273 ( -2.920 -1.262 1.805) 3.657 11.458 ( 7.286 6.465 2.159) 9.977 11.551 ( 3.665 2.423 0.641) 4.440 11.657 ( 0.777 1.692 -1.280) 2.259 11.720 ( 0.151 1.978 1.647) 2.578 11.799 ( 3.783 -1.037 -1.925) 4.370 11.882 ( 0.003 4.912 -2.389) 5.462 12.140 ( 3.559 1.336 -1.891) 4.246 12.207 ( 2.645 -3.457 -3.388) 5.516 12.353 ( -4.500 2.586 0.055) 5.190 12.535 ( -1.201 -2.566 -0.505) 2.878 12.634 ( -0.793 -0.817 4.775) 4.909 12.686 ( -0.412 2.358 6.949) 7.350 12.841 ( 5.723 -1.887 9.936) 11.620 13.030 ( 4.985 -2.991 2.394) 6.287 13.447 ( -2.909 1.159 4.981) 5.883 13.645 ( -6.388 1.114 1.994) 6.784 13.843 ( -4.258 -1.297 2.191) 4.962 13.922 ( -1.672 -6.371 3.141) 7.297 14.069 ( -2.548 1.694 2.811) 4.155 14.127 ( 3.533 -0.477 -0.379) 3.585 14.211 ( 2.624 3.523 0.851) 4.474 14.359 ( -4.073 1.590 3.111) 5.366 14.536 ( 3.184 1.384 4.971) 6.063 14.636 ( 2.880 -0.844 7.625) 8.194 14.747 ( -3.946 -1.053 1.894) 4.502 14.807 ( 5.180 6.711 11.689) 14.440 15.262 ( -7.484 -4.070 6.693) 10.834 15.690 ( -3.025 4.093 6.693) 8.409 15.757 ( 2.415 0.254 -1.347) 2.777 16.220 ( 7.911 1.968 13.635) 15.886 16.714 ( 6.112 3.380 -2.591) 7.449 16.936 ( 2.739 -5.018 -2.426) 6.210 17.145 ( -7.882 0.622 -7.982) 11.235 17.486 ( 4.537 5.930 -1.080) 7.545 17.587 ( -1.232 5.383 2.217) 5.950 17.812 ( -0.772 1.863 2.715) 3.382 17.914 ( 2.791 -0.529 3.487) 4.497 18.218 ( -2.476 -7.365 -0.550) 7.790 18.371 ( 1.240 1.845 4.559) 5.072 18.647 ( -6.962 6.954 1.863) 10.015 18.962 ( -5.448 -16.974 -2.400) 17.988 19.134 ( -4.771 -9.130 1.221) 10.374 19.286 ( 12.935 7.310 -7.331) 16.568 19.854 ( 18.867 -7.789 -12.241) 23.801 20.478 ( -11.094 13.280 4.533) 17.888 20.993 ( -10.879 -9.106 -4.502) 14.884 ======================= Grid point 117 (45/72) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 13.273 7.468 17.735) 23.377 2.805 ( -4.803 -1.690 15.375) 16.196 2.921 ( 1.880 10.065 13.404) 16.867 3.104 ( 5.134 9.149 11.315) 15.431 3.325 ( 4.530 2.070 9.714) 10.917 3.475 ( -9.023 -8.344 6.175) 13.754 3.527 ( -0.279 1.293 0.501) 1.414 3.637 ( -7.864 7.351 6.630) 12.643 3.753 ( -1.086 -0.564 10.549) 10.619 3.886 ( -0.804 -7.017 9.722) 12.017 4.056 ( 0.606 -4.845 1.464) 5.098 4.087 ( -1.317 2.303 3.525) 4.412 4.202 ( 2.135 1.221 10.729) 11.007 4.316 ( 1.453 0.206 4.711) 4.935 4.400 ( -5.110 1.234 4.033) 6.625 4.546 ( -0.357 4.260 -0.651) 4.324 4.623 ( -0.367 3.512 -2.846) 4.536 4.686 ( -2.071 0.099 -2.684) 3.391 4.875 ( 2.023 -0.650 4.389) 4.876 4.949 ( -1.894 4.346 1.031) 4.852 5.162 ( 5.192 -0.357 12.300) 13.355 5.289 ( 2.204 -2.151 -4.250) 5.249 5.345 ( 0.034 -5.998 -10.820) 12.371 5.464 ( -1.869 1.728 6.660) 7.130 6.101 ( 3.282 1.207 -1.100) 3.666 6.204 ( 1.582 -0.965 -1.792) 2.578 6.309 ( -0.234 -4.249 -5.385) 6.863 6.395 ( 0.894 -1.572 5.230) 5.534 6.546 ( 3.557 -0.537 0.100) 3.599 6.599 ( 0.677 -2.231 0.302) 2.351 6.651 ( 6.436 -4.329 0.496) 7.772 6.796 ( -5.440 -2.415 -1.955) 6.265 6.910 ( -6.452 2.875 2.176) 7.391 7.046 ( -6.894 0.167 -4.268) 8.110 7.197 ( 7.380 0.604 -7.911) 10.836 7.323 ( -2.693 2.746 -3.707) 5.342 7.476 ( 2.746 -0.312 4.305) 5.116 7.549 ( -3.601 -3.084 0.135) 4.743 7.671 ( -0.380 -2.599 -8.461) 8.860 7.710 ( -3.527 -1.082 -6.066) 7.100 7.863 ( 0.671 -3.015 -2.285) 3.842 7.955 ( 1.593 0.589 -3.459) 3.853 8.052 ( 2.581 -6.598 -5.879) 9.206 8.186 ( -4.893 -1.182 -3.537) 6.152 8.316 ( 2.186 -3.095 -1.777) 4.185 8.412 ( -2.976 0.787 -2.610) 4.036 8.436 ( -0.713 -2.614 -1.079) 2.917 8.569 ( 2.619 -0.774 -0.150) 2.735 8.762 ( 3.202 0.566 -0.325) 3.268 8.800 ( 2.949 -2.027 -0.248) 3.587 8.886 ( 6.307 -4.725 -1.908) 8.109 8.933 ( 0.930 -4.711 -3.029) 5.678 9.029 ( -4.537 -2.436 -3.825) 6.415 9.081 ( -2.722 0.055 -1.058) 2.921 9.291 ( 3.921 0.959 -4.860) 6.318 9.334 ( 2.756 0.183 -4.577) 5.346 9.419 ( 1.705 -3.736 -9.747) 10.577 9.470 ( -0.185 -1.380 -7.273) 7.405 9.556 ( -5.653 0.616 -11.846) 13.140 9.652 ( -6.404 0.202 -8.236) 10.434 9.735 ( -0.027 1.964 -12.417) 12.571 9.926 ( 4.500 -2.742 -14.599) 15.521 10.120 ( -5.332 3.096 -9.474) 11.304 10.178 ( 0.421 1.617 -4.939) 5.214 10.236 ( 2.594 0.180 -3.743) 4.557 10.312 ( -1.947 1.076 -2.791) 3.569 10.380 ( -1.464 0.751 -3.810) 4.150 10.611 ( -1.705 1.185 -2.193) 3.020 10.699 ( -1.754 1.130 -3.001) 3.655 10.769 ( 1.271 8.062 -0.111) 8.163 10.850 ( -2.308 -1.526 -4.007) 4.870 11.009 ( -1.698 1.095 -5.167) 5.548 11.103 ( 4.771 3.701 -1.624) 6.253 11.219 ( -4.028 1.763 2.745) 5.184 11.507 ( -0.915 3.021 -2.422) 3.979 11.639 ( 4.664 4.299 2.498) 6.817 11.732 ( 3.424 3.704 6.369) 8.125 11.747 ( 1.504 1.561 6.374) 6.732 11.860 ( 0.321 1.680 -4.519) 4.832 11.884 ( 0.332 0.619 -3.820) 3.884 12.094 ( -4.205 6.345 1.991) 7.868 12.286 ( 2.694 -2.755 -4.005) 5.557 12.383 ( 6.306 -2.675 -3.487) 7.686 12.494 ( -2.737 -1.462 0.156) 3.107 12.635 ( -0.352 -1.843 0.688) 1.998 12.689 ( 0.449 11.457 1.946) 11.630 12.948 ( 3.782 -3.844 13.122) 14.187 13.069 ( -1.444 -1.350 11.509) 11.678 13.393 ( -2.011 -3.682 -3.700) 5.594 13.603 ( 2.300 -3.493 -2.273) 4.760 13.730 ( -3.435 -1.618 1.726) 4.171 13.826 ( -5.681 -10.260 7.046) 13.682 14.061 ( 2.101 5.281 0.141) 5.685 14.174 ( 0.540 3.396 4.743) 5.859 14.227 ( -3.246 2.064 3.700) 5.337 14.364 ( 4.868 -0.954 5.169) 7.165 14.521 ( -5.357 -3.860 -0.577) 6.628 14.577 ( -0.788 -3.960 5.287) 6.652 14.774 ( -0.587 10.150 7.416) 12.584 15.002 ( 14.464 3.705 14.069) 20.516 15.176 ( -1.060 -3.191 5.824) 6.725 15.391 ( -15.563 5.149 15.332) 22.445 16.010 ( 10.520 3.440 -9.931) 14.870 16.303 ( -0.594 4.271 2.190) 4.837 16.845 ( 5.350 -0.013 -2.740) 6.011 16.947 ( -2.506 -1.712 -1.203) 3.265 17.027 ( -1.989 -2.547 1.969) 3.784 17.415 ( -4.191 2.995 13.889) 14.813 17.736 ( 8.632 5.172 -7.797) 12.730 17.817 ( 0.203 3.003 -2.493) 3.908 17.971 ( 2.657 -3.225 -1.775) 4.540 18.103 ( -7.249 -3.939 -6.943) 10.783 18.396 ( 0.776 1.953 3.464) 4.052 18.580 ( -0.610 3.676 2.466) 4.469 18.838 ( -4.133 -11.840 -1.552) 12.636 19.007 ( -3.516 -12.834 -1.708) 13.416 19.679 ( 18.796 9.216 3.272) 21.188 20.158 ( -14.461 10.469 3.558) 18.204 20.264 ( 16.052 -6.797 -8.872) 19.560 20.693 ( -16.081 -7.518 -5.771) 18.666 ======================= Grid point 120 (46/72) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 0.000 -13.956 13.256) 19.248 2.402 ( 0.000 13.956 13.256) 19.248 3.162 ( 0.000 -17.890 17.278) 24.871 3.162 ( 0.000 17.890 17.278) 24.871 3.453 ( 0.000 -7.158 3.630) 8.025 3.453 ( 0.000 7.158 3.630) 8.025 3.568 ( 0.000 -4.245 3.424) 5.454 3.568 ( 0.000 4.245 3.424) 5.454 3.929 ( 0.000 -2.233 8.089) 8.392 3.929 ( 0.000 2.233 8.089) 8.392 4.151 ( 0.000 -1.594 -1.724) 2.348 4.151 ( 0.000 1.594 -1.724) 2.348 4.276 ( 0.000 -9.683 13.688) 16.766 4.276 ( 0.000 9.683 13.688) 16.766 4.583 ( 0.000 -4.933 7.652) 9.105 4.583 ( 0.000 4.933 7.652) 9.105 4.712 ( 0.000 -0.708 6.534) 6.572 4.712 ( 0.000 0.708 6.534) 6.572 4.928 ( 0.000 -3.197 -4.319) 5.374 4.928 ( 0.000 3.197 -4.319) 5.374 5.038 ( 0.000 -4.781 -2.643) 5.463 5.038 ( 0.000 4.781 -2.643) 5.463 5.366 ( 0.000 -7.600 3.379) 8.317 5.366 ( 0.000 7.600 3.379) 8.317 6.025 ( 0.000 -2.108 -2.971) 3.643 6.025 ( 0.000 2.108 -2.971) 3.643 6.338 ( 0.000 -1.581 4.396) 4.671 6.338 ( 0.000 1.581 4.396) 4.671 6.410 ( 0.000 -5.128 -2.148) 5.559 6.410 ( 0.000 5.128 -2.148) 5.559 6.748 ( 0.000 -2.389 -3.233) 4.020 6.748 ( 0.000 2.389 -3.233) 4.020 7.181 ( 0.000 -1.795 -1.871) 2.593 7.181 ( 0.000 1.795 -1.871) 2.593 7.341 ( 0.000 -0.418 -2.913) 2.943 7.341 ( 0.000 0.418 -2.913) 2.943 7.478 ( 0.000 -2.507 -3.342) 4.178 7.478 ( 0.000 2.507 -3.342) 4.178 7.759 ( 0.000 -0.167 -4.783) 4.786 7.759 ( 0.000 0.167 -4.783) 4.786 7.812 ( 0.000 -1.934 -4.159) 4.587 7.812 ( 0.000 1.934 -4.159) 4.587 8.169 ( 0.000 -1.083 -0.347) 1.137 8.169 ( 0.000 1.083 -0.347) 1.137 8.315 ( 0.000 -0.063 -1.135) 1.137 8.315 ( 0.000 0.063 -1.135) 1.137 8.479 ( 0.000 -2.617 -4.338) 5.066 8.479 ( 0.000 2.617 -4.338) 5.066 8.527 ( 0.000 -0.288 -7.116) 7.122 8.527 ( 0.000 0.288 -7.116) 7.122 8.797 ( 0.000 -1.994 -5.463) 5.816 8.797 ( 0.000 1.994 -5.463) 5.816 9.062 ( 0.000 -5.268 -0.966) 5.356 9.062 ( 0.000 5.268 -0.966) 5.356 9.304 ( 0.000 -3.369 -5.137) 6.143 9.304 ( 0.000 3.369 -5.137) 6.143 9.494 ( 0.000 -1.981 -11.183) 11.357 9.494 ( 0.000 1.981 -11.183) 11.357 9.692 ( 0.000 -3.463 -1.410) 3.739 9.692 ( 0.000 3.463 -1.410) 3.739 9.886 ( 0.000 -8.619 -11.398) 14.290 9.886 ( 0.000 8.619 -11.398) 14.290 10.227 ( 0.000 -0.563 -3.793) 3.834 10.227 ( 0.000 0.563 -3.793) 3.834 10.273 ( 0.000 -0.001 -5.145) 5.145 10.273 ( 0.000 0.001 -5.145) 5.145 10.600 ( 0.000 -0.500 1.756) 1.826 10.600 ( 0.000 0.500 1.756) 1.826 10.748 ( 0.000 -0.137 -2.634) 2.637 10.748 ( 0.000 0.137 -2.634) 2.637 11.028 ( 0.000 -0.107 -6.973) 6.974 11.028 ( 0.000 0.107 -6.973) 6.974 11.216 ( 0.000 -0.281 -1.337) 1.366 11.216 ( 0.000 0.281 -1.337) 1.366 11.435 ( 0.000 -4.143 4.969) 6.469 11.435 ( 0.000 4.143 4.969) 6.469 11.677 ( 0.000 -2.556 -5.885) 6.416 11.677 ( 0.000 2.556 -5.885) 6.416 11.888 ( 0.000 -0.738 -0.152) 0.754 11.888 ( 0.000 0.738 -0.152) 0.754 12.125 ( 0.000 -1.198 -2.879) 3.118 12.125 ( 0.000 1.198 -2.879) 3.118 12.469 ( 0.000 -3.011 -0.396) 3.037 12.469 ( 0.000 3.011 -0.396) 3.037 12.651 ( 0.000 -0.167 9.800) 9.801 12.651 ( 0.000 0.167 9.800) 9.801 12.851 ( 0.000 -5.664 0.862) 5.729 12.851 ( 0.000 5.664 0.862) 5.729 13.632 ( 0.000 -7.411 5.064) 8.976 13.632 ( 0.000 7.411 5.064) 8.976 13.900 ( 0.000 -0.539 -2.363) 2.423 13.900 ( 0.000 0.539 -2.363) 2.423 14.076 ( 0.000 -3.433 6.874) 7.683 14.076 ( 0.000 3.433 6.874) 7.683 14.342 ( 0.000 -4.686 1.784) 5.014 14.342 ( 0.000 4.686 1.784) 5.014 14.573 ( 0.000 -6.279 2.176) 6.645 14.573 ( 0.000 6.279 2.176) 6.645 14.769 ( 0.000 -0.002 9.685) 9.685 14.769 ( 0.000 0.002 9.685) 9.685 15.442 ( 0.000 -0.047 -1.268) 1.269 15.442 ( 0.000 0.047 -1.268) 1.269 16.022 ( 0.000 -0.984 16.832) 16.860 16.022 ( 0.000 0.984 16.832) 16.860 16.754 ( 0.000 -6.356 -2.145) 6.708 16.754 ( 0.000 6.356 -2.145) 6.708 17.366 ( 0.000 -1.031 -11.270) 11.317 17.366 ( 0.000 1.031 -11.270) 11.317 17.772 ( 0.000 -3.122 5.055) 5.942 17.772 ( 0.000 3.122 5.055) 5.942 18.021 ( 0.000 -8.723 5.747) 10.445 18.021 ( 0.000 8.723 5.747) 10.445 18.577 ( 0.000 -18.027 3.019) 18.278 18.577 ( 0.000 18.027 3.019) 18.278 18.997 ( 0.000 -0.276 6.281) 6.287 18.997 ( 0.000 0.276 6.281) 6.287 19.375 ( 0.000 -0.366 -19.083) 19.087 19.375 ( 0.000 0.366 -19.083) 19.087 20.878 ( 0.000 -12.691 0.257) 12.694 20.878 ( 0.000 12.691 0.257) 12.694 ======================= Grid point 122 (47/72) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 8.596 -0.000 14.850) 17.158 2.520 ( 9.226 0.000 11.177) 14.493 3.107 ( -2.000 0.000 14.748) 14.883 3.249 ( 5.163 -0.000 17.567) 18.310 3.380 ( -4.851 -0.000 5.997) 7.713 3.426 ( -5.663 0.000 6.891) 8.920 3.556 ( 1.070 0.000 -1.274) 1.664 3.603 ( 2.612 0.000 7.242) 7.699 3.817 ( -5.925 0.000 8.477) 10.342 3.945 ( -2.250 0.000 5.553) 5.992 4.053 ( -8.068 -0.000 3.570) 8.822 4.146 ( 0.313 0.000 -0.669) 0.739 4.261 ( 0.675 -0.000 8.761) 8.787 4.326 ( 1.234 0.000 10.129) 10.204 4.470 ( -5.729 0.000 13.925) 15.058 4.621 ( 0.585 0.000 -4.550) 4.588 4.655 ( -0.156 0.000 5.399) 5.401 4.809 ( 2.033 0.000 6.802) 7.099 4.812 ( -5.607 -0.000 -6.939) 8.921 5.017 ( 3.628 0.000 6.556) 7.493 5.038 ( 1.645 -0.000 -2.957) 3.384 5.129 ( 6.522 0.000 -4.268) 7.795 5.307 ( -2.430 0.000 0.424) 2.466 5.433 ( 2.793 0.000 7.965) 8.441 6.066 ( 3.999 0.000 -4.887) 6.315 6.072 ( 3.266 0.000 -1.048) 3.430 6.338 ( -1.599 -0.000 -3.599) 3.938 6.355 ( 1.431 0.000 5.243) 5.435 6.452 ( 3.348 0.000 -1.650) 3.733 6.460 ( 6.582 -0.000 2.217) 6.945 6.606 ( -5.430 0.000 -1.940) 5.766 6.886 ( 1.970 0.000 0.189) 1.979 7.079 ( -9.380 -0.000 -1.457) 9.492 7.080 ( -1.916 0.000 -6.254) 6.541 7.245 ( -4.987 0.000 -0.945) 5.075 7.447 ( 2.188 0.000 -9.004) 9.266 7.471 ( -1.075 -0.000 -0.666) 1.264 7.531 ( 3.488 0.000 1.073) 3.649 7.574 ( -7.039 -0.000 -5.409) 8.877 7.776 ( 0.318 0.000 -1.743) 1.772 7.837 ( 3.580 -0.000 -4.642) 5.862 7.843 ( -2.760 0.000 -9.909) 10.287 8.132 ( 0.429 0.000 -0.319) 0.535 8.145 ( -5.623 -0.000 -3.496) 6.622 8.340 ( 3.493 0.000 0.325) 3.508 8.368 ( -2.979 0.000 -1.831) 3.496 8.441 ( 3.955 0.000 -3.805) 5.488 8.490 ( 0.913 0.000 -2.476) 2.639 8.636 ( 8.158 0.000 -4.951) 9.543 8.640 ( 6.805 -0.000 -2.392) 7.213 8.808 ( 1.467 0.000 -4.339) 4.581 8.821 ( 0.818 -0.000 -7.222) 7.269 9.056 ( 1.960 0.000 1.957) 2.769 9.064 ( -2.694 -0.000 -3.001) 4.033 9.249 ( 0.509 0.000 -5.755) 5.778 9.344 ( -0.201 0.000 -1.431) 1.445 9.362 ( -3.683 -0.000 -6.807) 7.740 9.475 ( -3.929 -0.000 -9.488) 10.269 9.685 ( -4.121 0.000 -7.814) 8.834 9.714 ( 2.815 0.000 -15.204) 15.463 9.827 ( -4.109 0.000 -6.399) 7.604 9.937 ( -1.794 0.000 -12.644) 12.770 10.134 ( -2.786 0.000 -3.348) 4.355 10.195 ( -0.673 0.000 -6.727) 6.760 10.277 ( 3.149 0.000 -6.382) 7.117 10.331 ( 2.235 -0.000 2.399) 3.279 10.497 ( -10.541 0.000 0.542) 10.555 10.637 ( 5.042 0.000 -5.720) 7.625 10.781 ( -12.324 -0.000 -8.189) 14.797 10.814 ( 0.607 0.000 -1.229) 1.371 10.924 ( 12.222 0.000 -4.329) 12.966 11.049 ( -0.842 0.000 -0.063) 0.844 11.055 ( -4.734 -0.000 -3.846) 6.100 11.235 ( -4.757 0.000 4.628) 6.637 11.548 ( 5.410 0.000 3.751) 6.584 11.573 ( 11.248 0.000 3.788) 11.869 11.694 ( -2.663 0.000 -4.735) 5.432 11.732 ( 3.869 -0.000 -7.596) 8.525 11.777 ( -0.742 0.000 5.933) 5.980 11.937 ( 0.376 -0.000 -1.873) 1.911 12.146 ( 3.258 0.000 -7.760) 8.416 12.172 ( 1.940 -0.000 0.660) 2.049 12.424 ( -3.831 0.000 -0.131) 3.834 12.449 ( -1.879 -0.000 -0.276) 1.899 12.588 ( -0.158 0.000 6.181) 6.183 12.761 ( 5.018 0.000 11.418) 12.472 12.912 ( 5.412 0.000 -0.973) 5.499 12.915 ( 4.769 -0.000 4.217) 6.367 13.483 ( -6.997 0.000 4.213) 8.168 13.681 ( -2.869 0.000 3.136) 4.251 13.748 ( -11.150 0.000 5.011) 12.224 13.865 ( -2.871 0.000 -1.300) 3.152 14.065 ( 0.928 0.000 3.159) 3.292 14.148 ( 5.122 0.000 -1.886) 5.458 14.278 ( 1.181 0.000 1.419) 1.846 14.392 ( -7.162 0.000 0.198) 7.165 14.547 ( 0.702 0.000 5.637) 5.681 14.593 ( -2.564 -0.000 5.940) 6.470 14.710 ( 9.323 0.000 9.162) 13.071 14.972 ( 7.730 0.000 11.054) 13.488 15.159 ( -12.273 -0.000 8.687) 15.036 15.741 ( 15.016 0.000 -10.698) 18.437 15.756 ( -13.793 0.000 16.104) 21.203 16.236 ( 8.421 0.000 14.325) 16.617 16.796 ( 4.203 0.000 -1.173) 4.363 16.838 ( 5.615 0.000 -2.939) 6.338 17.150 ( -10.006 0.000 -8.969) 13.437 17.588 ( 10.866 0.000 -10.607) 15.185 17.618 ( -8.584 0.000 9.301) 12.657 17.845 ( 1.848 0.000 4.404) 4.776 17.922 ( -2.916 0.000 -1.677) 3.364 18.098 ( 0.339 0.000 4.427) 4.440 18.526 ( -1.757 0.000 1.394) 2.243 18.607 ( 0.583 0.000 3.830) 3.874 18.827 ( -6.046 0.000 -0.705) 6.087 18.956 ( -10.763 0.000 1.684) 10.894 19.411 ( 15.483 0.000 -9.583) 18.209 19.745 ( 19.377 0.000 -11.678) 22.624 20.681 ( -14.345 0.000 1.607) 14.435 20.832 ( -7.806 -0.000 -1.391) 7.929 ======================= Grid point 124 (48/72) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 8.600 0.000 17.557) 19.550 2.717 ( 7.005 -0.000 9.438) 11.754 3.080 ( -0.549 0.000 13.510) 13.521 3.241 ( -7.279 -0.000 8.181) 10.950 3.268 ( -4.497 0.000 5.935) 7.446 3.384 ( 4.349 -0.000 12.836) 13.553 3.599 ( 2.807 0.000 -0.922) 2.954 3.670 ( 2.695 -0.000 13.720) 13.982 3.718 ( -3.022 0.000 5.703) 6.454 3.855 ( -8.408 -0.000 9.986) 13.054 3.880 ( -2.493 0.000 3.838) 4.577 4.186 ( 3.076 0.000 -1.139) 3.280 4.275 ( 0.346 0.000 8.329) 8.336 4.301 ( -3.424 -0.000 4.361) 5.545 4.405 ( -0.913 0.000 14.258) 14.287 4.600 ( -1.246 0.000 -11.001) 11.071 4.661 ( 0.692 0.000 -2.111) 2.221 4.712 ( -3.351 0.000 -2.100) 3.955 4.845 ( 1.382 -0.000 3.509) 3.771 5.072 ( 1.352 0.000 17.555) 17.607 5.090 ( 2.280 -0.000 -3.758) 4.396 5.259 ( 4.262 -0.000 -6.502) 7.775 5.262 ( -1.609 0.000 0.303) 1.637 5.464 ( 0.147 0.000 12.332) 12.333 6.131 ( 1.745 -0.000 0.459) 1.804 6.174 ( 5.746 0.000 -6.151) 8.417 6.286 ( -3.799 0.000 -6.510) 7.537 6.369 ( 0.093 0.000 3.056) 3.057 6.526 ( -1.004 0.000 -1.166) 1.539 6.570 ( 7.710 0.000 0.174) 7.712 6.621 ( 5.061 0.000 1.887) 5.402 6.760 ( -9.420 0.000 1.233) 9.500 6.932 ( -0.997 0.000 -1.812) 2.068 7.073 ( -10.195 0.000 -2.236) 10.437 7.206 ( 9.565 0.000 -6.766) 11.716 7.394 ( -6.822 0.000 -8.672) 11.034 7.419 ( -1.497 -0.000 4.412) 4.659 7.524 ( -0.443 0.000 -6.174) 6.190 7.605 ( 2.359 0.000 4.719) 5.276 7.741 ( -1.806 0.000 -15.660) 15.764 7.845 ( 2.327 0.000 -2.735) 3.591 7.951 ( 6.730 0.000 -5.292) 8.561 7.999 ( -5.877 0.000 -3.078) 6.634 8.151 ( -3.073 0.000 -2.234) 3.799 8.283 ( 0.393 0.000 0.350) 0.527 8.398 ( 1.579 0.000 -0.709) 1.731 8.426 ( -5.992 -0.000 -0.517) 6.014 8.557 ( 4.282 0.000 -1.892) 4.681 8.759 ( 3.356 0.000 1.607) 3.720 8.794 ( 5.699 0.000 -2.068) 6.063 8.828 ( 0.426 0.000 -1.371) 1.436 8.857 ( 1.539 -0.000 -5.363) 5.580 8.985 ( -3.545 0.000 -4.406) 5.655 9.102 ( 0.471 0.000 0.493) 0.682 9.313 ( -0.882 0.000 -4.828) 4.908 9.328 ( 4.824 -0.000 -5.389) 7.233 9.374 ( 5.126 0.000 -7.596) 9.164 9.458 ( 1.239 0.000 -8.726) 8.814 9.563 ( -8.051 0.000 -10.069) 12.892 9.665 ( -6.616 0.000 -9.267) 11.387 9.764 ( 0.837 0.000 -14.014) 14.039 9.882 ( 3.109 0.000 -14.686) 15.012 10.125 ( -15.864 0.000 -8.407) 17.954 10.205 ( 5.553 0.000 -0.004) 5.553 10.262 ( 5.116 -0.000 -3.691) 6.308 10.324 ( 0.352 0.000 -11.830) 11.836 10.386 ( -4.228 0.000 -1.482) 4.480 10.640 ( -1.407 0.000 -1.035) 1.747 10.704 ( 0.676 0.000 -5.256) 5.299 10.803 ( -1.833 0.000 -2.810) 3.355 10.917 ( -3.185 -0.000 -3.928) 5.056 10.981 ( 0.088 0.000 -1.326) 1.329 11.201 ( -0.095 0.000 3.973) 3.974 11.214 ( 6.460 0.000 -3.577) 7.384 11.528 ( -5.153 0.000 0.895) 5.231 11.669 ( 5.080 0.000 4.945) 7.089 11.782 ( 4.509 0.000 7.580) 8.820 11.798 ( 1.660 -0.000 -11.798) 11.914 11.815 ( 1.012 0.000 11.328) 11.374 11.919 ( -1.605 -0.000 -4.988) 5.240 12.186 ( 0.280 0.000 3.080) 3.093 12.245 ( 4.825 0.000 -7.487) 8.907 12.375 ( -0.839 0.000 1.239) 1.497 12.388 ( -3.146 -0.000 -1.783) 3.616 12.632 ( 2.680 0.000 -0.186) 2.687 12.849 ( 4.152 0.000 13.234) 13.870 12.957 ( -2.615 -0.000 12.507) 12.777 13.026 ( 3.217 0.000 -3.899) 5.055 13.354 ( -3.670 0.000 -3.601) 5.142 13.584 ( -3.261 0.000 4.316) 5.410 13.619 ( 0.734 -0.000 3.320) 3.400 13.755 ( -7.100 0.000 -2.130) 7.413 14.120 ( 4.412 0.000 1.154) 4.560 14.237 ( 2.550 -0.000 5.792) 6.328 14.251 ( -7.135 0.000 0.912) 7.193 14.350 ( 5.297 0.000 -1.546) 5.518 14.485 ( -6.802 0.000 5.493) 8.743 14.513 ( -0.300 -0.000 6.519) 6.526 14.948 ( -2.328 -0.000 7.342) 7.702 15.045 ( 13.077 0.000 16.151) 20.781 15.075 ( 2.325 -0.000 9.236) 9.524 15.445 ( -14.818 0.000 15.540) 21.472 16.049 ( 11.759 0.000 -10.665) 15.875 16.343 ( 0.695 0.000 3.705) 3.770 16.850 ( -0.206 0.000 -2.160) 2.169 16.940 ( 2.986 0.000 -3.397) 4.522 16.989 ( -3.614 0.000 2.274) 4.271 17.473 ( -3.843 0.000 10.517) 11.197 17.806 ( 7.675 0.000 -8.937) 11.781 17.870 ( 2.573 -0.000 3.842) 4.624 17.892 ( -0.405 0.000 -10.495) 10.503 18.023 ( -6.872 0.000 0.109) 6.873 18.516 ( 0.328 -0.000 0.570) 0.658 18.613 ( 0.301 0.000 3.398) 3.412 18.743 ( -2.054 -0.000 -0.959) 2.267 18.766 ( -5.580 0.000 0.412) 5.595 19.800 ( 18.837 0.000 -0.118) 18.837 20.157 ( 18.470 -0.000 -7.705) 20.013 20.316 ( -18.286 0.000 1.083) 18.318 20.578 ( -14.882 -0.000 -3.096) 15.200 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 0.000 0.000 23.876) 23.876 2.865 ( 0.000 0.000 26.002) 26.002 3.046 ( 0.000 0.000 3.164) 3.164 3.408 ( 0.000 0.000 2.127) 2.127 3.415 ( 0.000 0.000 -4.540) 4.540 3.435 ( 0.000 0.000 19.028) 19.028 3.504 ( 0.000 0.000 5.023) 5.023 3.842 ( 0.000 0.000 2.911) 2.911 3.997 ( 0.000 0.000 10.804) 10.804 4.065 ( 0.000 0.000 -9.179) 9.179 4.154 ( 0.000 0.000 6.975) 6.975 4.164 ( 0.000 0.000 0.421) 0.421 4.179 ( 0.000 0.000 -13.310) 13.310 4.293 ( 0.000 0.000 -10.854) 10.854 4.562 ( 0.000 0.000 0.843) 0.843 4.616 ( 0.000 0.000 -13.049) 13.049 4.657 ( 0.000 0.000 -1.606) 1.606 4.722 ( 0.000 0.000 -14.124) 14.124 4.797 ( 0.000 0.000 5.078) 5.078 5.094 ( 0.000 0.000 1.760) 1.760 5.166 ( 0.000 0.000 7.971) 7.971 5.228 ( 0.000 0.000 25.214) 25.214 5.320 ( 0.000 0.000 16.620) 16.620 5.389 ( 0.000 0.000 -7.516) 7.516 6.034 ( 0.000 0.000 -2.343) 2.343 6.053 ( 0.000 0.000 -4.056) 4.056 6.341 ( 0.000 0.000 5.768) 5.768 6.381 ( 0.000 0.000 3.260) 3.260 6.533 ( 0.000 0.000 2.131) 2.131 6.616 ( 0.000 0.000 -1.041) 1.041 6.618 ( 0.000 0.000 1.942) 1.942 6.789 ( 0.000 0.000 -6.310) 6.310 6.961 ( 0.000 0.000 -2.580) 2.580 7.227 ( 0.000 0.000 -11.686) 11.686 7.241 ( 0.000 0.000 -0.128) 0.128 7.284 ( 0.000 0.000 4.218) 4.218 7.497 ( 0.000 0.000 -1.163) 1.163 7.593 ( 0.000 0.000 5.065) 5.065 7.638 ( 0.000 0.000 -5.065) 5.065 7.703 ( 0.000 0.000 2.595) 2.595 7.895 ( 0.000 0.000 -5.283) 5.283 8.022 ( 0.000 0.000 -9.098) 9.098 8.152 ( 0.000 0.000 -1.970) 1.970 8.168 ( 0.000 0.000 -2.856) 2.856 8.309 ( 0.000 0.000 1.445) 1.445 8.390 ( 0.000 0.000 -4.435) 4.435 8.422 ( 0.000 0.000 -2.334) 2.334 8.463 ( 0.000 0.000 -5.885) 5.885 8.635 ( 0.000 0.000 3.415) 3.415 8.697 ( 0.000 0.000 -1.207) 1.207 8.861 ( 0.000 0.000 -8.377) 8.377 8.914 ( 0.000 0.000 -1.058) 1.058 8.944 ( 0.000 0.000 -4.939) 4.939 9.026 ( 0.000 0.000 -11.721) 11.721 9.178 ( 0.000 0.000 -1.975) 1.975 9.313 ( 0.000 0.000 8.446) 8.446 9.349 ( 0.000 0.000 1.848) 1.848 9.510 ( 0.000 0.000 -8.994) 8.994 9.523 ( 0.000 0.000 1.297) 1.297 9.637 ( 0.000 0.000 -4.905) 4.905 9.853 ( 0.000 0.000 -0.312) 0.312 9.863 ( 0.000 0.000 1.284) 1.284 9.951 ( 0.000 0.000 -2.775) 2.775 9.967 ( 0.000 0.000 -4.425) 4.425 10.323 ( 0.000 0.000 -10.974) 10.974 10.345 ( 0.000 0.000 4.043) 4.043 10.348 ( 0.000 0.000 -10.218) 10.218 10.421 ( 0.000 0.000 0.259) 0.259 10.645 ( 0.000 0.000 -6.659) 6.659 10.670 ( 0.000 0.000 4.015) 4.015 10.686 ( 0.000 0.000 -6.594) 6.594 10.736 ( 0.000 0.000 -0.865) 0.865 11.004 ( 0.000 0.000 -0.061) 0.061 11.008 ( 0.000 0.000 7.280) 7.280 11.324 ( 0.000 0.000 -4.472) 4.472 11.334 ( 0.000 0.000 -11.069) 11.069 11.563 ( 0.000 0.000 1.088) 1.088 11.699 ( 0.000 0.000 3.817) 3.817 11.725 ( 0.000 0.000 -0.711) 0.711 11.810 ( 0.000 0.000 -0.824) 0.824 12.093 ( 0.000 0.000 3.992) 3.992 12.254 ( 0.000 0.000 -2.863) 2.863 12.458 ( 0.000 0.000 2.054) 2.054 12.564 ( 0.000 0.000 -3.934) 3.934 12.690 ( 0.000 0.000 5.519) 5.519 12.933 ( 0.000 0.000 -3.067) 3.067 13.223 ( 0.000 0.000 12.670) 12.670 13.240 ( 0.000 0.000 13.217) 13.217 13.477 ( 0.000 0.000 7.730) 7.730 13.630 ( 0.000 0.000 2.760) 2.760 13.774 ( 0.000 0.000 -2.585) 2.585 13.893 ( 0.000 0.000 -7.371) 7.371 14.094 ( 0.000 0.000 2.758) 2.758 14.247 ( 0.000 0.000 -4.679) 4.679 14.265 ( 0.000 0.000 3.853) 3.853 14.407 ( 0.000 0.000 0.078) 0.078 14.419 ( 0.000 0.000 6.782) 6.782 14.622 ( 0.000 0.000 16.827) 16.827 14.920 ( 0.000 0.000 -10.703) 10.703 14.921 ( 0.000 0.000 5.309) 5.309 15.357 ( 0.000 0.000 -1.558) 1.558 15.475 ( 0.000 0.000 -8.931) 8.931 16.047 ( 0.000 0.000 11.037) 11.037 16.190 ( 0.000 0.000 6.481) 6.481 16.520 ( 0.000 0.000 0.728) 0.728 16.790 ( 0.000 0.000 -12.823) 12.823 17.128 ( 0.000 0.000 3.217) 3.217 17.186 ( 0.000 0.000 5.625) 5.625 17.709 ( 0.000 0.000 0.367) 0.367 17.931 ( 0.000 0.000 10.431) 10.431 18.101 ( 0.000 0.000 1.776) 1.776 18.131 ( 0.000 0.000 -19.575) 19.575 18.578 ( 0.000 0.000 3.731) 3.731 18.662 ( 0.000 0.000 8.716) 8.716 18.697 ( 0.000 0.000 -0.165) 0.165 19.250 ( 0.000 0.000 -13.451) 13.451 19.611 ( 0.000 0.000 -2.149) 2.149 19.655 ( 0.000 0.000 -5.357) 5.357 20.463 ( 0.000 0.000 18.463) 18.463 21.099 ( 0.000 0.000 -12.902) 12.902 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 13.972 0.000 21.662) 25.777 2.900 ( 3.231 0.000 24.358) 24.572 3.092 ( 3.059 0.000 7.678) 8.265 3.335 ( -4.477 0.000 12.160) 12.958 3.426 ( 1.026 0.000 -5.270) 5.369 3.469 ( -1.802 0.000 4.216) 4.585 3.471 ( 0.614 0.000 6.837) 6.864 3.826 ( -2.008 0.000 5.950) 6.280 3.942 ( -4.287 0.000 -0.171) 4.290 4.050 ( 0.037 0.000 5.973) 5.973 4.053 ( -6.138 0.000 -6.058) 8.624 4.113 ( -5.798 0.000 0.482) 5.818 4.205 ( 1.781 0.000 -5.171) 5.469 4.323 ( 0.241 0.000 -11.385) 11.388 4.503 ( -2.686 0.000 3.003) 4.029 4.609 ( -1.174 0.000 -10.591) 10.656 4.675 ( -0.153 0.000 -9.079) 9.080 4.746 ( -3.265 0.000 2.135) 3.901 4.763 ( 3.597 0.000 -8.208) 8.962 4.999 ( -5.588 0.000 0.876) 5.656 5.214 ( -0.219 0.000 21.579) 21.581 5.250 ( 4.009 0.000 8.749) 9.624 5.353 ( 2.018 0.000 16.761) 16.882 5.386 ( -0.469 0.000 -4.031) 4.058 6.048 ( 3.946 0.000 -0.349) 3.961 6.178 ( 8.160 0.000 -5.815) 10.020 6.352 ( 0.319 0.000 3.448) 3.462 6.402 ( 1.741 0.000 1.683) 2.422 6.560 ( 3.286 0.000 0.593) 3.339 6.610 ( 0.596 0.000 4.817) 4.854 6.680 ( 4.525 0.000 -0.187) 4.529 6.848 ( 3.857 0.000 -6.011) 7.142 6.949 ( -0.791 0.000 -0.988) 1.266 7.077 ( -9.172 0.000 2.870) 9.611 7.212 ( -2.074 0.000 -10.953) 11.147 7.234 ( -5.723 0.000 -4.233) 7.118 7.534 ( 0.656 0.000 2.504) 2.589 7.564 ( -1.084 0.000 8.482) 8.551 7.665 ( 0.547 0.000 -4.589) 4.622 7.740 ( 1.610 0.000 -1.054) 1.924 7.929 ( 2.998 0.000 -5.219) 6.019 8.055 ( 4.967 0.000 -8.484) 9.831 8.066 ( -5.134 0.000 -2.329) 5.638 8.163 ( -2.318 0.000 -0.954) 2.507 8.327 ( 1.583 0.000 -0.419) 1.637 8.393 ( -3.101 0.000 -1.373) 3.391 8.498 ( 3.047 0.000 -5.342) 6.150 8.498 ( 4.988 0.000 -2.563) 5.608 8.590 ( 2.785 0.000 3.669) 4.606 8.802 ( 5.744 0.000 -4.223) 7.129 8.846 ( -1.015 0.000 -6.149) 6.233 8.878 ( -2.390 0.000 -1.581) 2.866 8.950 ( 2.408 0.000 -3.580) 4.315 9.109 ( 4.747 0.000 -10.505) 11.527 9.165 ( -0.957 0.000 -2.287) 2.480 9.310 ( 0.513 0.000 0.374) 0.635 9.329 ( -2.313 0.000 -2.930) 3.733 9.397 ( -7.746 0.000 -3.618) 8.549 9.534 ( -0.738 0.000 1.093) 1.319 9.567 ( -5.771 0.000 -5.224) 7.785 9.757 ( -4.931 0.000 3.057) 5.801 9.770 ( -6.894 0.000 -6.022) 9.153 9.950 ( -2.674 0.000 -4.680) 5.390 10.037 ( -1.382 0.000 -6.038) 6.194 10.223 ( -1.924 0.000 -2.798) 3.396 10.269 ( -0.072 0.000 1.966) 1.967 10.395 ( -0.418 0.000 -0.399) 0.578 10.500 ( 6.776 0.000 -5.665) 8.832 10.650 ( 0.192 0.000 0.238) 0.306 10.703 ( 4.966 0.000 -1.330) 5.141 10.769 ( 2.305 0.000 -1.008) 2.516 10.781 ( 4.367 0.000 -1.795) 4.722 10.985 ( -0.638 0.000 -3.093) 3.159 11.083 ( 4.217 0.000 2.699) 5.007 11.281 ( -4.705 0.000 -12.369) 13.234 11.303 ( -2.287 0.000 -4.122) 4.714 11.544 ( -1.201 0.000 3.531) 3.730 11.664 ( -2.571 0.000 3.878) 4.652 11.812 ( 6.228 0.000 -2.003) 6.542 11.822 ( 0.854 0.000 -2.083) 2.251 12.096 ( 1.360 0.000 4.431) 4.635 12.298 ( 2.831 0.000 -2.972) 4.105 12.350 ( -8.177 0.000 5.343) 9.768 12.530 ( -3.628 0.000 -3.249) 4.870 12.653 ( -1.454 0.000 6.592) 6.751 13.005 ( 5.830 0.000 -5.566) 8.060 13.051 ( -7.864 0.000 12.425) 14.705 13.297 ( 0.894 0.000 9.797) 9.838 13.528 ( 4.288 0.000 8.429) 9.457 13.723 ( 0.646 0.000 -1.962) 2.066 13.804 ( -1.715 0.000 -2.991) 3.448 13.828 ( 3.957 0.000 -1.393) 4.195 14.242 ( -2.079 0.000 6.469) 6.794 14.253 ( 9.787 0.000 0.942) 9.832 14.308 ( 2.342 0.000 -0.365) 2.370 14.430 ( 1.981 0.000 -0.910) 2.180 14.445 ( 6.885 0.000 6.388) 9.392 14.591 ( -2.150 0.000 14.495) 14.654 14.835 ( -6.228 0.000 -6.984) 9.358 14.916 ( -0.257 0.000 2.698) 2.711 15.279 ( -4.357 0.000 1.319) 4.553 15.569 ( 5.873 0.000 -10.430) 11.970 15.832 ( -15.887 0.000 14.692) 21.639 16.170 ( -5.498 0.000 -1.570) 5.717 16.622 ( 8.683 0.000 -0.727) 8.713 16.896 ( 9.490 0.000 -13.050) 16.136 17.066 ( -2.401 0.000 6.216) 6.663 17.291 ( 5.262 0.000 2.623) 5.880 17.699 ( -0.608 0.000 0.234) 0.652 17.898 ( -3.068 0.000 10.606) 11.041 18.069 ( -4.704 0.000 -15.176) 15.888 18.078 ( -2.105 0.000 2.490) 3.260 18.581 ( -0.176 0.000 4.445) 4.448 18.668 ( -0.616 0.000 5.953) 5.985 18.757 ( 6.038 0.000 -3.102) 6.789 19.213 ( -2.414 0.000 -10.795) 11.062 19.611 ( 2.842 0.000 2.173) 3.577 19.857 ( 15.296 0.000 -7.975) 17.250 20.362 ( -9.250 0.000 17.812) 20.070 20.970 ( -11.691 0.000 -12.236) 16.923 ======================= Grid point 142 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 15.495 0.000 17.978) 23.734 2.989 ( 4.528 0.000 19.909) 20.418 3.112 ( -1.195 0.000 14.594) 14.643 3.217 ( -7.594 0.000 15.948) 17.664 3.396 ( -0.869 0.000 4.409) 4.494 3.434 ( -3.540 0.000 2.156) 4.145 3.565 ( 8.311 0.000 -3.983) 9.216 3.732 ( -6.605 0.000 5.475) 8.579 3.875 ( -0.955 0.000 -5.500) 5.582 3.930 ( -5.741 0.000 -11.617) 12.958 4.034 ( 0.306 0.000 9.984) 9.988 4.059 ( -0.205 0.000 11.606) 11.608 4.213 ( 0.429 0.000 -8.982) 8.993 4.273 ( -4.130 0.000 -10.586) 11.363 4.497 ( 1.906 0.000 1.738) 2.579 4.556 ( -3.215 0.000 -1.074) 3.389 4.679 ( 0.939 0.000 -9.721) 9.766 4.705 ( -1.166 0.000 -8.706) 8.784 4.829 ( 2.512 0.000 -5.768) 6.292 4.891 ( -4.051 0.000 -0.848) 4.139 5.236 ( 2.159 0.000 14.147) 14.311 5.283 ( -1.238 0.000 7.593) 7.693 5.379 ( 0.258 0.000 7.810) 7.815 5.381 ( 0.493 0.000 14.274) 14.282 6.183 ( 7.688 0.000 1.333) 7.803 6.318 ( -4.112 0.000 1.050) 4.243 6.338 ( 6.025 0.000 -6.198) 8.644 6.417 ( -1.324 0.000 -3.071) 3.344 6.659 ( 4.328 0.000 2.728) 5.116 6.666 ( 3.424 0.000 8.465) 9.131 6.775 ( 4.481 0.000 -0.732) 4.540 6.856 ( -3.651 0.000 -1.238) 3.855 6.932 ( -0.728 0.000 1.534) 1.698 6.958 ( -2.115 0.000 0.700) 2.228 7.121 ( -3.125 0.000 -9.018) 9.544 7.140 ( -3.627 0.000 -9.118) 9.813 7.538 ( 1.043 0.000 2.133) 2.375 7.558 ( -0.277 0.000 5.559) 5.566 7.665 ( 0.854 0.000 -5.921) 5.983 7.724 ( -3.196 0.000 -5.161) 6.071 7.984 ( 1.430 0.000 -2.459) 2.845 7.989 ( -0.918 0.000 0.584) 1.088 8.132 ( 0.409 0.000 -0.075) 0.416 8.175 ( 1.072 0.000 -5.929) 6.025 8.278 ( -1.745 0.000 4.789) 5.097 8.330 ( -1.916 0.000 -1.849) 2.663 8.570 ( 2.865 0.000 -3.564) 4.573 8.579 ( 2.320 0.000 -1.089) 2.563 8.742 ( 6.742 0.000 -3.207) 7.466 8.818 ( -1.900 0.000 -4.196) 4.606 8.876 ( 5.780 0.000 0.300) 5.787 8.930 ( 4.163 0.000 -5.446) 6.855 8.974 ( -0.770 0.000 -5.048) 5.107 9.092 ( -9.325 0.000 -1.986) 9.534 9.188 ( 2.748 0.000 -5.110) 5.801 9.243 ( -3.123 0.000 -1.811) 3.610 9.287 ( 0.711 0.000 -4.183) 4.243 9.369 ( 4.571 0.000 -8.859) 9.969 9.409 ( -7.609 0.000 -4.841) 9.018 9.505 ( -4.925 0.000 -7.397) 8.886 9.689 ( 3.353 0.000 -6.195) 7.044 9.725 ( 2.927 0.000 0.854) 3.049 9.842 ( -6.670 0.000 -5.554) 8.679 9.869 ( -10.809 0.000 -8.742) 13.902 10.239 ( 2.013 0.000 4.938) 5.333 10.269 ( -0.720 0.000 3.753) 3.821 10.536 ( 9.378 0.000 -1.058) 9.437 10.625 ( 4.560 0.000 -3.637) 5.833 10.665 ( 0.626 0.000 -0.107) 0.635 10.744 ( -1.814 0.000 2.236) 2.879 10.810 ( 0.815 0.000 0.805) 1.146 10.824 ( -0.987 0.000 3.077) 3.231 11.021 ( 5.333 0.000 -7.201) 8.961 11.114 ( -1.175 0.000 -4.581) 4.730 11.191 ( -2.735 0.000 -11.701) 12.016 11.217 ( -5.156 0.000 -4.841) 7.072 11.540 ( 1.491 0.000 5.100) 5.314 11.601 ( -3.503 0.000 3.249) 4.778 11.856 ( 2.623 0.000 -4.180) 4.935 11.896 ( 0.432 0.000 -5.152) 5.170 12.140 ( 2.383 0.000 8.858) 9.173 12.205 ( -4.531 0.000 10.989) 11.887 12.355 ( 2.691 0.000 -1.790) 3.232 12.431 ( -4.709 0.000 -2.033) 5.129 12.706 ( 6.990 0.000 5.715) 9.029 12.890 ( -8.560 0.000 6.941) 11.020 13.154 ( 7.739 0.000 -6.557) 10.143 13.286 ( -3.258 0.000 1.343) 3.524 13.606 ( 1.896 0.000 8.087) 8.306 13.631 ( -2.816 0.000 1.473) 3.178 13.861 ( 2.656 0.000 -0.719) 2.752 13.888 ( 0.776 0.000 -0.544) 0.948 14.202 ( -0.319 0.000 10.113) 10.118 14.254 ( -4.180 0.000 7.005) 8.157 14.422 ( 5.545 0.000 2.164) 5.952 14.476 ( 0.893 0.000 -1.879) 2.080 14.573 ( 1.649 0.000 9.010) 9.159 14.644 ( -0.734 0.000 0.196) 0.759 14.796 ( 8.926 0.000 -0.641) 8.948 14.912 ( -0.813 0.000 -2.289) 2.429 15.233 ( 2.263 0.000 8.574) 8.868 15.463 ( -17.257 0.000 15.403) 23.131 15.721 ( 9.389 0.000 -10.806) 14.315 15.963 ( -12.371 0.000 -8.221) 14.853 16.830 ( 9.822 0.000 -1.158) 9.890 16.997 ( -5.354 0.000 2.431) 5.880 17.143 ( 12.138 0.000 -11.948) 17.032 17.327 ( -3.545 0.000 -3.709) 5.130 17.713 ( 2.737 0.000 2.933) 4.012 17.807 ( -5.173 0.000 9.131) 10.494 17.995 ( -1.065 0.000 -5.018) 5.130 18.022 ( -2.710 0.000 1.662) 3.179 18.582 ( 0.866 0.000 6.061) 6.122 18.624 ( -2.767 0.000 6.000) 6.608 18.931 ( 9.484 0.000 -8.585) 12.793 19.117 ( -7.245 0.000 -12.078) 14.084 19.784 ( 13.097 0.000 12.160) 17.872 20.097 ( -14.926 0.000 16.001) 21.882 20.233 ( 19.411 0.000 -10.437) 22.038 20.642 ( -18.393 0.000 -11.245) 21.558 ======================= Grid point 145 (52/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 0.000 2.472 22.222) 22.359 2.914 ( 0.000 4.609 19.661) 20.194 3.031 ( 0.000 -1.734 6.743) 6.962 3.344 ( 0.000 -0.291 4.346) 4.356 3.379 ( 0.000 -0.625 5.411) 5.447 3.520 ( 0.000 5.528 9.494) 10.986 3.698 ( 0.000 9.413 -3.479) 10.035 3.811 ( 0.000 -0.381 6.888) 6.899 4.003 ( 0.000 -0.256 5.080) 5.087 4.058 ( 0.000 -2.026 -6.569) 6.874 4.124 ( 0.000 1.414 9.086) 9.195 4.166 ( 0.000 -1.215 -11.318) 11.383 4.226 ( 0.000 1.675 2.624) 3.113 4.358 ( 0.000 6.738 -9.898) 11.974 4.502 ( 0.000 -3.879 -2.853) 4.816 4.543 ( 0.000 -7.350 -2.386) 7.728 4.672 ( 0.000 1.357 -3.459) 3.716 4.715 ( 0.000 -1.714 -6.554) 6.774 4.788 ( 0.000 1.914 -5.349) 5.681 5.040 ( 0.000 -3.701 -0.542) 3.740 5.137 ( 0.000 1.299 13.570) 13.632 5.296 ( 0.000 2.681 17.750) 17.951 5.359 ( 0.000 -0.548 4.397) 4.431 5.500 ( 0.000 10.634 9.102) 13.998 6.024 ( 0.000 -1.038 -1.903) 2.168 6.038 ( 0.000 -1.438 -3.873) 4.131 6.294 ( 0.000 -3.027 5.363) 6.158 6.369 ( 0.000 -0.272 2.983) 2.995 6.535 ( 0.000 -0.933 3.824) 3.936 6.592 ( 0.000 -3.195 -0.722) 3.275 6.623 ( 0.000 0.676 -1.539) 1.681 6.781 ( 0.000 -1.132 -6.690) 6.785 6.990 ( 0.000 2.678 -2.490) 3.657 7.160 ( 0.000 -2.267 -6.237) 6.637 7.299 ( 0.000 2.014 -4.068) 4.539 7.304 ( 0.000 1.292 5.440) 5.591 7.481 ( 0.000 -0.639 -0.979) 1.169 7.497 ( 0.000 -5.396 1.115) 5.510 7.699 ( 0.000 2.669 -0.113) 2.672 7.707 ( 0.000 -0.119 0.132) 0.178 7.899 ( 0.000 0.117 -5.232) 5.233 7.961 ( 0.000 -6.157 -7.904) 10.019 8.081 ( 0.000 -6.352 0.270) 6.357 8.160 ( 0.000 -0.017 -3.851) 3.851 8.297 ( 0.000 -1.002 0.919) 1.360 8.347 ( 0.000 -4.745 -4.189) 6.329 8.405 ( 0.000 0.530 -4.916) 4.945 8.453 ( 0.000 -1.244 -1.873) 2.248 8.611 ( 0.000 -2.310 1.739) 2.891 8.639 ( 0.000 -5.470 -1.340) 5.631 8.879 ( 0.000 -3.173 -0.085) 3.174 8.897 ( 0.000 1.567 -9.309) 9.440 8.990 ( 0.000 2.553 -5.399) 5.972 9.033 ( 0.000 0.387 -10.585) 10.592 9.125 ( 0.000 -4.023 -3.690) 5.459 9.198 ( 0.000 -6.798 -1.580) 6.979 9.299 ( 0.000 -3.327 -0.241) 3.336 9.490 ( 0.000 -4.448 2.545) 5.125 9.558 ( 0.000 1.709 -2.017) 2.644 9.593 ( 0.000 -6.938 -2.254) 7.295 9.657 ( 0.000 -2.013 -8.034) 8.282 9.861 ( 0.000 -0.067 -12.186) 12.186 10.049 ( 0.000 8.591 7.825) 11.620 10.122 ( 0.000 5.287 4.777) 7.125 10.364 ( 0.000 2.316 -0.878) 2.477 10.383 ( 0.000 -0.921 -0.092) 0.925 10.423 ( 0.000 0.448 -4.076) 4.100 10.470 ( 0.000 0.754 -4.034) 4.104 10.546 ( 0.000 3.872 -6.080) 7.208 10.605 ( 0.000 1.200 -9.430) 9.506 10.757 ( 0.000 0.728 -1.875) 2.011 10.772 ( 0.000 4.154 -2.929) 5.082 10.990 ( 0.000 4.832 3.874) 6.193 11.202 ( 0.000 10.536 2.938) 10.938 11.335 ( 0.000 -0.050 -2.760) 2.760 11.404 ( 0.000 5.495 -6.375) 8.416 11.571 ( 0.000 1.167 -2.495) 2.755 11.656 ( 0.000 -2.514 0.722) 2.616 11.782 ( 0.000 3.928 0.852) 4.019 11.812 ( 0.000 0.127 -0.050) 0.137 12.102 ( 0.000 0.911 3.359) 3.481 12.199 ( 0.000 -4.366 -1.885) 4.756 12.470 ( 0.000 0.907 2.153) 2.336 12.553 ( 0.000 -1.049 -2.352) 2.575 12.707 ( 0.000 1.707 5.219) 5.491 12.907 ( 0.000 -1.674 -1.333) 2.140 13.122 ( 0.000 -10.663 9.662) 14.389 13.140 ( 0.000 -7.164 10.817) 12.974 13.527 ( 0.000 6.459 7.355) 9.789 13.742 ( 0.000 6.911 4.273) 8.125 13.778 ( 0.000 0.916 -2.822) 2.967 13.952 ( 0.000 -1.130 -4.519) 4.658 14.088 ( 0.000 -1.681 -1.203) 2.067 14.175 ( 0.000 1.836 -2.622) 3.201 14.274 ( 0.000 -3.618 11.318) 11.882 14.333 ( 0.000 2.470 -0.279) 2.485 14.432 ( 0.000 0.272 -0.883) 0.924 14.741 ( 0.000 -7.392 -3.531) 8.192 14.816 ( 0.000 11.471 14.051) 18.139 14.995 ( 0.000 -4.082 0.925) 4.185 15.397 ( 0.000 6.407 -0.673) 6.443 15.411 ( 0.000 -4.427 -7.628) 8.820 16.148 ( 0.000 7.593 10.378) 12.859 16.250 ( 0.000 4.655 7.605) 8.917 16.553 ( 0.000 3.196 1.233) 3.425 16.806 ( 0.000 1.182 -11.221) 11.283 17.134 ( 0.000 0.554 1.174) 1.298 17.179 ( 0.000 -0.503 3.591) 3.626 17.678 ( 0.000 -1.715 1.490) 2.272 17.982 ( 0.000 -5.557 -3.496) 6.565 17.985 ( 0.000 4.212 9.313) 10.221 18.228 ( 0.000 2.792 -11.472) 11.806 18.505 ( 0.000 -4.090 6.406) 7.600 18.695 ( 0.000 0.747 -2.276) 2.395 18.733 ( 0.000 4.579 3.202) 5.587 19.176 ( 0.000 -7.480 -11.748) 13.927 19.538 ( 0.000 -6.702 -1.847) 6.952 19.540 ( 0.000 -9.397 -1.835) 9.574 20.549 ( 0.000 7.322 13.822) 15.642 21.076 ( 0.000 -2.356 -11.094) 11.342 ======================= Grid point 146 (53/72) ======================= q-point: ( 0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 12.498 1.219 20.593) 24.119 2.958 ( 3.874 5.387 19.376) 20.481 3.091 ( 4.929 -1.052 8.222) 9.644 3.304 ( -3.030 -0.610 8.430) 8.979 3.393 ( 0.095 0.974 6.846) 6.915 3.479 ( -1.893 3.647 1.978) 4.561 3.694 ( -1.471 10.503 -2.083) 10.808 3.826 ( 1.170 -0.065 6.433) 6.539 3.920 ( -7.006 -2.421 1.579) 7.579 3.986 ( -5.488 -2.598 -4.787) 7.732 4.083 ( -1.940 1.702 3.668) 4.485 4.137 ( -1.936 3.934 4.814) 6.512 4.268 ( 1.467 -2.377 -6.869) 7.416 4.328 ( -2.763 5.369 -7.597) 9.704 4.484 ( -2.131 -1.324 2.205) 3.340 4.527 ( -0.017 -6.577 -7.136) 9.705 4.636 ( -3.906 -3.461 -1.861) 5.541 4.743 ( 2.308 -0.974 -5.209) 5.780 4.774 ( -0.899 2.778 -7.694) 8.230 4.964 ( -3.491 -1.894 -1.120) 4.127 5.213 ( 2.931 1.727 12.950) 13.390 5.319 ( 2.738 3.377 15.952) 16.534 5.369 ( 0.911 0.084 3.529) 3.646 5.508 ( 0.096 10.376 9.960) 14.383 6.031 ( 3.482 -1.597 -0.014) 3.831 6.153 ( 7.027 -2.342 -4.720) 8.783 6.310 ( 0.802 -3.162 3.464) 4.758 6.398 ( 2.846 0.195 1.541) 3.242 6.561 ( 1.551 -0.658 0.750) 1.844 6.586 ( 1.399 -1.944 3.342) 4.111 6.657 ( 3.151 -2.621 -0.309) 4.110 6.845 ( 3.934 -0.463 -6.841) 7.905 6.964 ( -1.885 1.008 -0.984) 2.353 7.085 ( -8.156 0.863 1.868) 8.412 7.151 ( -6.186 -3.022 -7.402) 10.109 7.274 ( -3.224 2.410 -4.734) 6.214 7.486 ( -0.597 -2.857 4.089) 5.024 7.560 ( 1.516 -1.861 2.980) 3.826 7.662 ( 0.059 -1.138 -2.475) 2.724 7.738 ( -0.683 0.690 -1.690) 1.949 7.912 ( 2.221 -2.220 -3.483) 4.690 8.001 ( 1.430 -5.211 -3.804) 6.608 8.038 ( -0.705 -3.507 -2.742) 4.507 8.154 ( -1.312 0.227 -3.149) 3.419 8.284 ( -0.620 -2.675 0.218) 2.754 8.375 ( 0.970 -2.166 -1.467) 2.790 8.452 ( 2.734 -1.364 -5.016) 5.873 8.511 ( 3.166 -0.274 -0.927) 3.310 8.585 ( 4.661 -1.380 1.899) 5.219 8.750 ( 5.819 -3.961 -4.308) 8.253 8.842 ( -3.100 -2.230 -2.744) 4.702 8.914 ( 1.344 1.819 -5.791) 6.217 8.956 ( 0.504 1.033 -5.783) 5.896 9.084 ( 0.375 -5.118 -6.319) 8.140 9.131 ( 1.323 -0.552 -6.421) 6.579 9.228 ( 3.021 -4.443 -5.102) 7.410 9.309 ( 0.915 -2.506 -2.364) 3.565 9.392 ( -7.648 -1.761 2.502) 8.238 9.508 ( -3.537 -0.157 -2.160) 4.147 9.607 ( -3.373 -0.732 -4.697) 5.829 9.654 ( 1.390 -2.724 -5.822) 6.576 9.808 ( -7.126 -0.715 -4.216) 8.311 9.888 ( -5.649 -0.198 -2.730) 6.277 10.128 ( -10.080 3.849 -8.584) 13.788 10.205 ( -1.580 0.526 2.111) 2.689 10.293 ( -1.469 1.220 1.352) 2.340 10.445 ( 0.407 1.144 -0.784) 1.445 10.538 ( 1.650 1.479 -3.566) 4.198 10.616 ( 5.086 1.958 -0.241) 5.455 10.717 ( -1.713 0.137 1.827) 2.509 10.744 ( 5.189 0.506 -3.333) 6.188 10.825 ( 5.623 2.896 -2.346) 6.746 11.021 ( 1.106 6.720 -1.125) 6.903 11.205 ( 0.713 7.200 0.573) 7.258 11.325 ( -2.063 5.570 -4.150) 7.246 11.431 ( 1.093 7.076 -6.561) 9.711 11.597 ( 2.741 4.719 0.046) 5.458 11.645 ( -1.269 -2.065 2.490) 3.475 11.779 ( 1.255 -0.699 -2.076) 2.525 11.860 ( 4.319 2.200 -0.337) 4.859 12.106 ( 1.424 0.770 3.623) 3.969 12.258 ( 3.310 -3.385 -1.648) 5.013 12.358 ( -7.842 0.767 4.377) 9.014 12.517 ( -4.173 -0.281 -2.655) 4.954 12.673 ( -1.315 1.804 6.471) 6.845 12.947 ( -0.503 -3.871 3.254) 5.082 13.051 ( 0.456 -2.926 4.048) 5.015 13.216 ( 3.650 -6.140 8.121) 10.816 13.544 ( 1.425 1.363 6.966) 7.239 13.702 ( -3.285 -1.252 -0.114) 3.517 13.787 ( -2.163 0.584 -1.808) 2.879 13.913 ( -1.314 3.330 -4.097) 5.441 14.129 ( 3.306 -5.605 2.365) 6.924 14.228 ( 4.207 -4.695 0.548) 6.328 14.312 ( 1.901 -1.342 5.044) 5.555 14.372 ( 3.624 0.258 5.264) 6.396 14.491 ( 4.725 3.639 -2.052) 6.307 14.706 ( -1.680 -1.457 -0.493) 2.278 14.788 ( -3.188 7.503 9.384) 12.431 14.985 ( 1.356 0.850 4.743) 5.005 15.304 ( -4.778 3.871 0.558) 6.174 15.533 ( 7.460 -1.552 -8.974) 11.773 15.927 ( -15.449 7.099 13.777) 21.883 16.253 ( -4.542 6.601 -1.020) 8.077 16.640 ( 7.566 1.786 0.230) 7.777 16.903 ( 7.866 0.175 -10.062) 12.773 17.086 ( -1.089 1.941 3.885) 4.477 17.274 ( 5.406 -1.098 0.818) 5.577 17.670 ( -0.750 -2.106 0.546) 2.302 17.917 ( -4.824 0.887 7.910) 9.307 17.999 ( 0.256 -2.429 -3.153) 3.988 18.139 ( -6.723 1.995 -6.771) 9.748 18.511 ( 0.154 -4.349 5.492) 7.007 18.660 ( -0.563 -0.577 4.934) 4.999 18.811 ( 3.155 3.074 -6.823) 8.121 19.144 ( -2.171 -6.801 -10.061) 12.336 19.525 ( 5.857 -6.734 6.327) 10.940 19.798 ( 16.482 -5.198 -7.353) 18.781 20.443 ( -9.765 6.841 13.447) 17.972 20.948 ( -11.548 -2.177 -10.574) 15.809 ======================= Grid point 147 (54/72) ======================= q-point: ( 0.40 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 11.835 -1.196 18.309) 21.834 3.061 ( 5.064 4.322 15.521) 16.889 3.157 ( -2.152 1.443 13.759) 14.001 3.221 ( -2.401 3.392 14.762) 15.336 3.409 ( 2.575 3.052 5.153) 6.519 3.475 ( -0.440 1.232 -1.574) 2.046 3.632 ( -1.845 5.278 1.043) 5.687 3.732 ( -8.610 -2.721 3.239) 9.593 3.863 ( 1.701 0.664 -0.540) 1.904 3.909 ( -2.034 -0.918 -7.250) 7.585 4.049 ( -0.670 3.697 3.318) 5.013 4.124 ( 0.556 3.450 9.411) 10.039 4.219 ( -3.836 -1.483 -5.762) 7.079 4.297 ( -1.004 3.351 -11.359) 11.886 4.445 ( -0.888 -3.267 4.522) 5.649 4.524 ( -0.373 -3.895 -3.973) 5.576 4.571 ( -1.434 -5.423 -1.374) 5.775 4.755 ( -0.743 0.003 -5.316) 5.367 4.777 ( 0.826 -0.060 -7.879) 7.922 4.923 ( -0.703 0.881 -6.517) 6.614 5.243 ( 0.618 1.169 10.915) 10.995 5.363 ( 0.263 4.890 10.309) 11.413 5.411 ( 2.864 3.907 10.765) 11.805 5.492 ( -1.401 8.664 10.332) 13.556 6.148 ( 6.260 -2.938 1.796) 7.145 6.275 ( 2.793 -4.157 -3.018) 5.847 6.291 ( -2.226 -2.840 0.272) 3.619 6.457 ( 1.372 2.127 -3.162) 4.050 6.613 ( 4.084 -3.374 3.003) 6.089 6.657 ( 2.385 -1.703 4.586) 5.443 6.735 ( 3.815 -3.561 -0.372) 5.232 6.835 ( -2.507 -1.362 0.307) 2.869 6.942 ( -3.325 0.257 2.951) 4.453 6.961 ( -2.766 1.010 -2.205) 3.679 7.038 ( -1.657 -4.723 -8.660) 10.003 7.191 ( -3.811 2.472 -9.042) 10.118 7.474 ( 0.422 -3.331 3.030) 4.523 7.586 ( 0.661 0.021 2.816) 2.893 7.658 ( -0.465 -1.315 -5.384) 5.561 7.708 ( -1.211 -1.553 -3.865) 4.338 7.951 ( 1.238 -2.148 2.407) 3.455 7.983 ( -0.005 -1.698 -0.099) 1.701 8.090 ( 1.315 -6.541 -5.680) 8.762 8.124 ( -1.482 -1.565 -0.363) 2.186 8.245 ( -2.070 -0.628 2.695) 3.456 8.359 ( -0.866 1.782 0.296) 2.003 8.531 ( 4.018 -3.083 -1.808) 5.378 8.574 ( 1.640 -1.357 -2.170) 3.040 8.728 ( 3.299 -0.759 -3.085) 4.580 8.812 ( 4.074 -0.639 -4.240) 5.915 8.859 ( 2.706 -3.741 -5.981) 7.556 8.925 ( 0.631 2.049 -3.483) 4.090 9.009 ( 2.289 1.093 -2.816) 3.790 9.063 ( -2.443 -4.545 -3.834) 6.429 9.146 ( -2.063 -3.131 -6.821) 7.784 9.240 ( -1.122 -0.404 0.594) 1.332 9.297 ( 1.552 -0.334 -5.144) 5.384 9.320 ( 0.494 -0.492 -7.282) 7.316 9.398 ( -6.391 -0.716 -3.960) 7.553 9.515 ( -6.831 -1.730 -4.992) 8.636 9.607 ( 1.556 -4.849 -8.235) 9.683 9.751 ( 1.567 0.358 -4.362) 4.649 9.826 ( -3.828 1.656 -6.782) 7.962 9.912 ( -6.625 2.189 -9.938) 12.143 10.221 ( 4.223 -0.032 1.778) 4.582 10.313 ( -1.547 1.067 3.676) 4.129 10.450 ( 0.146 -6.511 -0.566) 6.537 10.538 ( 0.501 -1.403 -5.696) 5.888 10.652 ( -1.484 -3.322 1.474) 3.925 10.736 ( 4.484 5.163 5.939) 9.057 10.835 ( -0.092 0.141 0.618) 0.640 10.926 ( 0.041 5.624 3.223) 6.482 10.973 ( 1.103 0.497 -6.408) 6.522 11.223 ( -0.368 7.962 2.355) 8.311 11.332 ( 2.389 12.325 -8.662) 15.252 11.440 ( -1.065 11.149 -5.757) 12.593 11.532 ( -2.863 -0.474 1.243) 3.157 11.675 ( 0.374 6.780 2.487) 7.232 11.805 ( 0.526 -3.128 -5.855) 6.659 11.991 ( 5.594 7.195 -0.123) 9.115 12.152 ( 1.967 0.846 2.322) 3.158 12.197 ( -4.796 0.121 10.252) 11.319 12.326 ( 1.944 -1.497 -0.994) 2.647 12.431 ( -2.724 0.201 -2.602) 3.773 12.697 ( 4.157 -0.462 7.064) 8.209 12.838 ( -7.665 -4.900 7.558) 11.827 13.155 ( 6.671 -0.203 -6.588) 9.378 13.267 ( -0.399 -2.004 2.151) 2.966 13.515 ( -4.333 -6.458 6.508) 10.141 13.621 ( -1.034 -3.154 1.775) 3.764 13.792 ( 1.809 -4.882 -0.693) 5.252 13.907 ( -0.380 0.775 -3.653) 3.753 14.174 ( 2.889 -2.020 8.484) 9.187 14.261 ( -3.599 -1.059 6.539) 7.538 14.357 ( 2.586 -2.760 4.621) 5.972 14.452 ( 4.583 -3.432 -0.066) 5.726 14.554 ( -2.012 -1.994 -1.663) 3.285 14.693 ( 1.215 -3.981 -1.680) 4.489 14.746 ( -0.655 9.274 9.732) 13.460 15.081 ( 5.088 9.730 0.482) 10.991 15.257 ( 3.842 2.803 9.245) 10.396 15.555 ( -15.874 7.563 14.344) 22.693 15.742 ( 9.466 2.376 -9.819) 13.844 16.063 ( -11.259 7.863 -8.684) 16.248 16.828 ( 9.113 -0.089 0.320) 9.119 16.980 ( -3.858 -1.671 1.699) 4.535 17.149 ( 6.928 0.788 -5.098) 8.638 17.363 ( 1.363 3.031 -9.423) 9.992 17.668 ( 2.441 -3.416 3.128) 5.236 17.794 ( -6.905 -1.302 8.834) 11.287 17.974 ( -2.345 -1.101 -6.033) 6.566 18.037 ( -1.464 0.167 0.639) 1.605 18.509 ( -0.115 -3.692 5.915) 6.973 18.654 ( -0.333 0.424 6.697) 6.719 18.879 ( 3.606 -4.749 -8.775) 10.610 19.070 ( -4.189 -5.181 -10.469) 12.409 19.773 ( 15.427 0.096 11.898) 19.483 20.154 ( -8.132 3.260 8.705) 12.351 20.197 ( 11.898 -1.788 -5.575) 13.261 20.625 ( -17.733 -1.754 -9.865) 20.368 ======================= Grid point 150 (55/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 0.000 6.352 18.265) 19.338 2.881 ( 0.000 -8.297 7.650) 11.286 3.132 ( 0.000 12.239 15.294) 19.588 3.403 ( 0.000 4.568 3.081) 5.509 3.405 ( 0.000 2.963 2.573) 3.924 3.645 ( 0.000 6.137 10.019) 11.749 3.670 ( 0.000 -6.624 -2.872) 7.220 3.844 ( 0.000 -6.241 5.148) 8.090 3.970 ( 0.000 -2.065 1.827) 2.758 4.032 ( 0.000 2.046 -1.104) 2.325 4.121 ( 0.000 -3.827 -3.484) 5.175 4.180 ( 0.000 0.491 4.745) 4.770 4.283 ( 0.000 6.158 5.896) 8.525 4.410 ( 0.000 2.140 0.084) 2.141 4.499 ( 0.000 5.492 -10.680) 12.009 4.500 ( 0.000 -0.546 -3.480) 3.523 4.674 ( 0.000 -1.476 -5.404) 5.602 4.703 ( 0.000 1.143 -5.041) 5.169 4.857 ( 0.000 3.240 -6.411) 7.184 4.950 ( 0.000 -5.039 -6.446) 8.181 5.174 ( 0.000 1.288 15.860) 15.912 5.246 ( 0.000 -3.326 11.634) 12.101 5.463 ( 0.000 7.151 20.339) 21.560 5.639 ( 0.000 2.010 7.162) 7.439 6.000 ( 0.000 -0.804 -0.193) 0.827 6.006 ( 0.000 -1.313 -2.694) 2.997 6.274 ( 0.000 1.558 2.653) 3.076 6.387 ( 0.000 1.709 1.869) 2.532 6.485 ( 0.000 -6.297 -0.147) 6.299 6.494 ( 0.000 -2.442 3.402) 4.188 6.636 ( 0.000 0.416 -3.629) 3.653 6.729 ( 0.000 -3.823 -6.272) 7.346 7.052 ( 0.000 2.833 -2.951) 4.091 7.138 ( 0.000 -0.968 -6.216) 6.291 7.323 ( 0.000 1.174 6.287) 6.396 7.331 ( 0.000 1.565 0.264) 1.587 7.426 ( 0.000 -0.794 1.108) 1.363 7.483 ( 0.000 -0.210 -0.870) 0.895 7.694 ( 0.000 -0.764 -4.297) 4.364 7.726 ( 0.000 -0.760 -0.970) 1.232 7.817 ( 0.000 -5.874 -4.484) 7.389 7.844 ( 0.000 -5.973 0.823) 6.029 8.019 ( 0.000 3.083 -1.902) 3.623 8.165 ( 0.000 0.177 -4.551) 4.554 8.267 ( 0.000 -2.004 0.747) 2.139 8.279 ( 0.000 -2.250 -5.084) 5.559 8.392 ( 0.000 -1.755 -6.962) 7.179 8.408 ( 0.000 -3.221 -0.342) 3.239 8.524 ( 0.000 -4.518 -1.512) 4.764 8.543 ( 0.000 -4.112 0.035) 4.112 8.778 ( 0.000 -5.356 -0.187) 5.359 8.819 ( 0.000 -7.222 -5.293) 8.954 8.991 ( 0.000 -2.086 -4.569) 5.023 9.029 ( 0.000 -1.424 -8.688) 8.804 9.102 ( 0.000 1.307 -11.371) 11.445 9.115 ( 0.000 -0.053 -8.710) 8.710 9.295 ( 0.000 1.714 -1.624) 2.361 9.385 ( 0.000 -3.815 0.403) 3.836 9.555 ( 0.000 3.633 -2.083) 4.187 9.604 ( 0.000 3.396 -0.260) 3.406 9.675 ( 0.000 1.599 -4.468) 4.745 9.836 ( 0.000 -2.967 -13.366) 13.692 10.107 ( 0.000 -5.171 -0.962) 5.260 10.141 ( 0.000 -6.665 -0.750) 6.708 10.281 ( 0.000 2.878 4.057) 4.974 10.344 ( 0.000 0.485 1.526) 1.601 10.535 ( 0.000 6.359 -1.888) 6.634 10.567 ( 0.000 4.982 2.159) 5.430 10.648 ( 0.000 4.134 -5.217) 6.656 10.686 ( 0.000 1.666 -3.770) 4.122 10.812 ( 0.000 5.197 -6.208) 8.096 10.850 ( 0.000 3.159 -5.848) 6.647 11.125 ( 0.000 7.301 4.613) 8.636 11.323 ( 0.000 -1.120 3.694) 3.860 11.394 ( 0.000 7.760 1.009) 7.825 11.502 ( 0.000 3.290 -5.528) 6.433 11.586 ( 0.000 -0.288 -2.774) 2.789 11.611 ( 0.000 -1.724 0.425) 1.776 11.823 ( 0.000 1.323 0.162) 1.332 11.860 ( 0.000 2.711 -1.803) 3.256 12.123 ( 0.000 0.737 2.019) 2.149 12.125 ( 0.000 -2.019 0.182) 2.027 12.483 ( 0.000 0.265 2.482) 2.496 12.522 ( 0.000 -1.852 0.170) 1.860 12.754 ( 0.000 2.234 4.829) 5.320 12.862 ( 0.000 -4.907 4.539) 6.684 12.938 ( 0.000 -3.273 2.718) 4.254 12.991 ( 0.000 -5.844 7.585) 9.575 13.641 ( 0.000 3.092 6.103) 6.841 13.782 ( 0.000 -3.401 -0.889) 3.515 13.818 ( 0.000 -0.221 -2.771) 2.780 13.826 ( 0.000 -4.607 -5.021) 6.814 14.094 ( 0.000 5.197 4.079) 6.606 14.258 ( 0.000 1.265 3.134) 3.380 14.302 ( 0.000 3.353 6.557) 7.365 14.405 ( 0.000 3.564 -5.344) 6.423 14.467 ( 0.000 4.163 0.190) 4.167 14.626 ( 0.000 -3.078 -1.678) 3.506 14.856 ( 0.000 -6.509 1.843) 6.765 14.932 ( 0.000 -1.607 3.688) 4.023 15.406 ( 0.000 5.270 2.531) 5.846 15.538 ( 0.000 4.675 3.497) 5.839 16.277 ( 0.000 4.306 11.166) 11.968 16.325 ( 0.000 2.006 9.733) 9.938 16.643 ( 0.000 5.286 2.064) 5.674 16.812 ( 0.000 -1.299 -4.992) 5.158 17.148 ( 0.000 0.840 -3.112) 3.224 17.173 ( 0.000 -0.106 -2.642) 2.644 17.687 ( 0.000 3.212 -0.239) 3.221 17.891 ( 0.000 -3.984 -1.758) 4.354 18.073 ( 0.000 4.067 8.208) 9.161 18.211 ( 0.000 -3.488 -4.319) 5.552 18.470 ( 0.000 1.670 5.459) 5.709 18.742 ( 0.000 1.834 -9.896) 10.064 18.829 ( 0.000 4.657 -4.214) 6.281 18.961 ( 0.000 -11.211 -5.151) 12.338 19.351 ( 0.000 -8.042 1.468) 8.175 19.373 ( 0.000 -8.394 -0.080) 8.394 20.716 ( 0.000 8.406 6.583) 10.677 21.001 ( 0.000 -4.971 -6.437) 8.133 ======================= Grid point 151 (56/72) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 10.308 5.130 17.365) 20.836 2.961 ( 6.810 -7.314 8.595) 13.182 3.169 ( 3.309 11.000 14.512) 18.508 3.349 ( -2.428 4.410 5.698) 7.604 3.460 ( 2.215 3.641 0.066) 4.262 3.561 ( -5.106 4.012 10.752) 12.561 3.708 ( -0.148 -5.095 -0.628) 5.136 3.819 ( -0.459 -6.005 -1.804) 6.287 3.914 ( -5.392 1.643 4.861) 7.444 3.975 ( -4.481 2.096 -0.069) 4.948 4.094 ( -1.546 -4.037 0.973) 4.431 4.167 ( -2.156 -0.407 1.914) 2.911 4.290 ( 0.780 6.181 4.383) 7.617 4.396 ( -1.738 0.453 -2.877) 3.392 4.447 ( -2.615 2.787 -5.510) 6.706 4.494 ( -2.130 0.277 -3.209) 3.861 4.596 ( -3.901 0.525 -5.004) 6.367 4.735 ( -0.437 0.290 -3.824) 3.859 4.846 ( -0.519 1.544 -5.228) 5.476 4.908 ( -0.843 -2.472 -8.714) 9.097 5.223 ( 2.414 -1.507 12.780) 13.093 5.347 ( 7.928 1.459 12.348) 14.746 5.445 ( -0.732 5.105 17.652) 18.390 5.667 ( 1.190 4.021 7.860) 8.909 6.002 ( 2.785 -0.561 0.151) 2.845 6.097 ( 5.345 -2.645 -2.110) 6.326 6.267 ( -0.803 -0.275 2.194) 2.352 6.413 ( 2.013 0.145 -0.872) 2.198 6.501 ( 1.585 -4.317 1.701) 4.903 6.547 ( 4.470 -1.929 2.560) 5.501 6.601 ( -0.774 -1.851 -0.089) 2.009 6.818 ( 5.874 -2.105 -9.106) 11.039 6.973 ( -6.778 0.142 -0.783) 6.825 7.064 ( -6.477 -2.474 -4.622) 8.333 7.182 ( -7.730 5.376 1.065) 9.476 7.339 ( -1.781 3.582 -0.779) 4.076 7.440 ( -1.864 -1.718 0.098) 2.537 7.507 ( 2.421 -2.566 0.817) 3.621 7.605 ( -1.757 -3.768 -1.637) 4.468 7.741 ( -4.048 -2.648 -5.887) 7.619 7.845 ( 3.867 -2.476 0.659) 4.639 7.859 ( 1.205 -6.016 2.075) 6.477 8.011 ( -0.469 1.598 -0.261) 1.686 8.169 ( -1.483 0.191 -5.116) 5.330 8.232 ( 0.772 -1.759 -1.317) 2.329 8.343 ( 3.484 -2.004 -4.494) 6.029 8.414 ( 2.100 -2.066 -1.627) 3.366 8.475 ( 2.493 -2.652 -0.509) 3.675 8.561 ( 7.173 -0.997 -2.302) 7.599 8.661 ( 6.803 -4.148 -2.335) 8.303 8.776 ( -0.420 -3.206 -2.159) 3.888 8.840 ( 2.244 -7.330 -5.320) 9.331 8.977 ( -0.378 0.357 -6.619) 6.640 9.009 ( -1.655 -1.682 -7.087) 7.469 9.100 ( 1.536 -1.973 -7.799) 8.190 9.176 ( 3.210 -0.233 -10.370) 10.858 9.279 ( -1.230 -0.330 0.655) 1.432 9.358 ( -2.599 -1.421 0.192) 2.968 9.507 ( -3.004 1.404 -3.099) 4.538 9.573 ( -3.789 -0.610 -3.092) 4.928 9.695 ( -1.898 3.655 -4.228) 5.903 9.771 ( -6.422 -2.684 -7.531) 10.255 9.919 ( -4.424 1.713 -5.582) 7.325 10.086 ( -5.131 -4.623 -7.827) 10.438 10.266 ( -4.173 1.420 1.773) 4.752 10.315 ( -8.114 2.024 -2.571) 8.749 10.453 ( 0.693 2.546 -0.370) 2.664 10.566 ( 1.190 -0.111 -2.584) 2.847 10.701 ( 2.511 3.467 2.440) 4.927 10.736 ( 0.558 1.920 -0.526) 2.068 10.822 ( 0.632 5.207 -0.801) 5.306 10.904 ( 5.602 5.213 -0.395) 7.663 11.128 ( -1.264 2.202 1.386) 2.892 11.325 ( -1.209 3.356 1.567) 3.896 11.450 ( 3.445 6.360 -2.778) 7.748 11.542 ( 6.721 3.508 -1.510) 7.731 11.611 ( -1.143 -0.187 -1.216) 1.679 11.673 ( 4.462 1.643 -3.582) 5.953 11.784 ( 0.207 1.333 -0.676) 1.509 11.910 ( 5.067 1.285 -0.810) 5.290 12.108 ( -0.008 -0.680 2.829) 2.910 12.194 ( 3.343 -2.026 -0.163) 3.912 12.392 ( -4.946 2.948 3.930) 6.972 12.536 ( -0.492 0.862 -0.671) 1.198 12.726 ( -1.137 2.059 6.175) 6.608 12.834 ( -3.886 -4.621 7.098) 9.318 12.992 ( 5.685 -1.143 1.715) 6.047 13.085 ( 6.412 -6.686 2.694) 9.647 13.562 ( -5.983 -0.074 5.850) 8.368 13.680 ( -7.343 -0.690 1.491) 7.525 13.800 ( -4.557 0.294 -4.133) 6.159 13.893 ( 1.084 -4.693 -5.485) 7.300 14.075 ( 0.275 -1.300 0.187) 1.342 14.122 ( -1.304 -3.305 0.170) 3.557 14.325 ( 1.210 2.551 5.955) 6.590 14.386 ( 0.548 0.290 2.019) 2.112 14.565 ( 1.189 3.243 -0.388) 3.476 14.664 ( 0.128 -1.201 -1.916) 2.265 14.887 ( 6.498 -0.370 8.065) 10.364 15.047 ( 6.820 6.641 7.536) 12.142 15.373 ( -3.356 1.710 3.407) 5.079 15.562 ( 5.371 3.570 -4.034) 7.607 16.050 ( -14.465 4.189 14.417) 20.848 16.373 ( -2.577 4.115 0.579) 4.890 16.698 ( 5.162 3.932 1.263) 6.611 16.882 ( 4.795 -2.456 -3.117) 6.224 17.115 ( 0.967 0.059 3.988) 4.104 17.284 ( 6.564 2.398 -8.212) 10.784 17.648 ( -2.729 0.558 -1.370) 3.105 17.898 ( -0.876 -2.187 -0.438) 2.397 17.986 ( -6.028 -0.121 5.300) 8.027 18.153 ( -5.496 -0.057 -4.396) 7.038 18.473 ( 0.371 1.408 5.264) 5.462 18.669 ( -2.399 1.824 0.755) 3.106 18.809 ( -3.159 -4.634 -8.464) 10.153 18.961 ( -2.048 -9.291 -8.143) 12.523 19.422 ( 14.279 -2.047 8.791) 16.893 19.675 ( 18.630 -6.126 -5.759) 20.440 20.598 ( -10.883 7.697 6.704) 14.921 20.880 ( -11.057 -4.487 -6.311) 13.499 ======================= Grid point 152 (57/72) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 10.304 2.491 15.092) 18.443 3.107 ( 5.057 -2.089 12.696) 13.825 3.216 ( -3.274 7.410 13.585) 15.817 3.309 ( 2.408 3.151 8.402) 9.291 3.478 ( -0.593 0.551 1.055) 1.329 3.506 ( -0.941 2.175 1.789) 2.969 3.631 ( -1.985 -0.850 9.629) 9.868 3.757 ( -8.125 5.004 4.331) 10.479 3.858 ( -0.008 -1.924 -1.128) 2.231 3.926 ( 2.262 0.735 -7.414) 7.786 4.084 ( 1.449 -5.984 4.144) 7.421 4.128 ( -1.247 0.366 2.891) 3.170 4.212 ( -6.927 3.021 -7.323) 10.523 4.379 ( 0.225 -0.772 -3.675) 3.762 4.405 ( -1.896 -1.627 -3.639) 4.414 4.467 ( 0.657 5.670 4.428) 7.224 4.536 ( -1.843 0.374 -0.202) 1.891 4.699 ( -1.418 -1.159 -4.069) 4.462 4.855 ( 0.576 2.606 -5.514) 6.126 4.913 ( 0.468 -1.022 -12.901) 12.950 5.256 ( 0.743 -0.262 14.027) 14.049 5.442 ( 0.195 2.932 14.445) 14.741 5.504 ( 5.513 4.150 12.028) 13.867 5.659 ( -1.595 6.378 7.867) 10.252 6.097 ( 5.085 -1.386 1.133) 5.391 6.193 ( 2.645 -3.473 -0.715) 4.424 6.225 ( -3.068 -2.639 0.382) 4.065 6.448 ( 0.904 -5.424 -4.340) 7.005 6.540 ( 2.016 -1.296 2.778) 3.669 6.623 ( 2.351 -0.825 2.482) 3.517 6.667 ( 3.760 -2.433 1.284) 4.659 6.812 ( -2.657 -1.191 1.622) 3.333 6.909 ( -4.997 -2.851 -3.859) 6.928 6.975 ( 4.509 -1.179 -10.477) 11.467 7.022 ( -7.333 4.295 2.550) 8.872 7.240 ( -5.119 2.180 -7.170) 9.076 7.427 ( 0.490 -0.911 0.166) 1.048 7.540 ( -0.254 -4.291 0.488) 4.327 7.603 ( 1.610 -4.879 -1.254) 5.289 7.663 ( -2.854 -1.311 -3.978) 5.068 7.911 ( 3.884 -1.656 2.056) 4.696 7.923 ( 3.198 -3.164 2.743) 5.269 7.984 ( -2.272 -1.832 1.491) 3.277 8.111 ( -3.741 -0.628 -3.017) 4.847 8.257 ( 1.580 1.119 -2.224) 2.949 8.382 ( -2.251 0.282 1.222) 2.577 8.452 ( 3.440 -3.838 0.582) 5.187 8.525 ( 1.394 -2.952 -3.910) 5.094 8.721 ( 5.521 -0.211 -3.770) 6.689 8.777 ( 3.636 -2.302 -4.704) 6.376 8.801 ( 2.164 -1.975 -5.862) 6.554 8.891 ( 1.514 -6.657 -2.571) 7.295 8.964 ( 0.080 -0.230 -3.591) 3.599 9.021 ( 2.254 -0.857 -3.780) 4.483 9.099 ( -3.070 -1.291 -7.438) 8.150 9.214 ( 2.093 -2.221 -5.599) 6.377 9.282 ( 0.065 -0.516 -3.660) 3.696 9.305 ( -0.493 -1.368 -4.970) 5.179 9.393 ( -7.885 0.440 -4.008) 8.856 9.492 ( -4.661 0.320 -7.518) 8.852 9.572 ( -1.442 1.106 -3.082) 3.578 9.707 ( 1.688 -3.231 -6.321) 7.297 9.891 ( -8.520 1.828 -11.113) 14.122 9.951 ( -1.302 2.179 -13.000) 13.246 10.229 ( 4.937 0.073 1.211) 5.084 10.291 ( 2.890 -1.155 1.833) 3.611 10.397 ( -6.173 1.823 2.381) 6.863 10.598 ( -0.170 1.602 -5.147) 5.393 10.634 ( -2.947 3.846 2.049) 5.261 10.793 ( 1.427 -2.231 -1.587) 3.087 10.839 ( 1.338 3.105 5.279) 6.269 10.968 ( -2.064 -0.514 -1.038) 2.367 11.114 ( 3.960 9.753 5.219) 11.749 11.332 ( -0.882 2.723 6.342) 6.958 11.464 ( -2.525 1.116 -0.242) 2.771 11.596 ( 2.251 2.693 -8.978) 9.640 11.636 ( 0.611 7.773 -6.018) 9.850 11.731 ( 2.977 1.108 -6.559) 7.288 11.815 ( -0.038 2.682 0.924) 2.837 12.079 ( 2.435 -1.155 4.362) 5.127 12.157 ( 9.031 2.209 2.279) 9.573 12.223 ( 0.067 1.785 5.448) 5.733 12.357 ( 2.531 2.842 0.895) 3.910 12.495 ( -4.986 5.272 -1.263) 7.365 12.697 ( -5.061 -5.282 7.630) 10.570 12.742 ( 0.199 4.497 5.220) 6.893 13.121 ( 5.119 -3.705 -3.929) 7.441 13.198 ( 4.057 -4.986 0.230) 6.432 13.382 ( -9.862 -5.785 4.731) 12.374 13.558 ( -2.732 -0.480 2.492) 3.729 13.691 ( -2.634 -4.464 -3.895) 6.484 13.866 ( -1.703 -6.579 -5.104) 8.499 14.122 ( 4.692 -0.901 6.047) 7.707 14.234 ( 3.151 -0.704 2.834) 4.296 14.332 ( 0.566 -2.035 1.680) 2.699 14.408 ( 1.907 0.479 5.405) 5.751 14.521 ( -4.742 -0.545 -2.032) 5.188 14.632 ( -0.725 -2.156 -0.449) 2.319 14.968 ( -0.554 10.465 10.440) 14.792 15.222 ( 5.032 3.963 3.445) 7.273 15.340 ( 6.699 4.082 11.662) 14.055 15.707 ( -13.732 6.231 13.524) 20.255 15.802 ( 11.003 2.698 -8.345) 14.071 16.209 ( -10.729 5.384 -8.792) 14.879 16.830 ( 6.067 0.122 2.552) 6.584 16.941 ( -0.351 -1.482 2.571) 2.988 17.165 ( 2.378 0.255 3.625) 4.343 17.426 ( 5.182 2.761 -17.049) 18.032 17.619 ( 1.779 -0.813 0.703) 2.079 17.769 ( -9.033 -0.696 7.442) 11.724 17.942 ( 1.046 -2.652 -5.387) 6.095 18.026 ( -5.205 -0.371 -1.322) 5.383 18.486 ( 0.631 1.696 5.255) 5.558 18.652 ( 0.063 0.491 4.358) 4.386 18.754 ( -1.426 -7.030 -5.725) 9.178 18.910 ( -1.807 -9.592 -6.415) 11.680 19.810 ( 19.398 3.109 7.754) 21.120 20.093 ( 19.289 -4.525 -6.601) 20.883 20.286 ( -17.014 5.842 6.815) 19.237 20.568 ( -16.895 -3.640 -6.359) 18.415 ======================= Grid point 155 (58/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 0.000 -9.531 13.378) 16.426 2.688 ( 0.000 9.531 13.378) 16.426 3.411 ( 0.000 -10.512 1.911) 10.684 3.411 ( 0.000 10.512 1.911) 10.684 3.477 ( 0.000 -5.742 3.114) 6.532 3.477 ( 0.000 5.742 3.114) 6.532 3.736 ( 0.000 -2.839 11.920) 12.254 3.736 ( 0.000 2.839 11.920) 12.254 3.975 ( 0.000 -3.512 0.205) 3.518 3.975 ( 0.000 3.512 0.205) 3.518 4.135 ( 0.000 -3.086 -0.419) 3.114 4.135 ( 0.000 3.086 -0.419) 3.114 4.428 ( 0.000 -5.667 2.518) 6.201 4.428 ( 0.000 5.667 2.518) 6.201 4.535 ( 0.000 -3.342 -10.549) 11.066 4.535 ( 0.000 3.342 -10.549) 11.066 4.679 ( 0.000 -2.358 -4.921) 5.457 4.679 ( 0.000 2.358 -4.921) 5.457 4.888 ( 0.000 -0.267 -3.440) 3.450 4.888 ( 0.000 0.267 -3.440) 3.450 5.198 ( 0.000 -0.920 16.752) 16.777 5.198 ( 0.000 0.920 16.752) 16.777 5.596 ( 0.000 -4.654 11.656) 12.550 5.596 ( 0.000 4.654 11.656) 12.550 5.994 ( 0.000 -0.000 -0.043) 0.043 5.994 ( 0.000 0.000 -0.043) 0.043 6.347 ( 0.000 -4.948 -0.849) 5.021 6.347 ( 0.000 4.948 -0.849) 5.021 6.448 ( 0.000 -2.084 3.279) 3.885 6.448 ( 0.000 2.084 3.279) 3.885 6.657 ( 0.000 -1.638 -4.665) 4.944 6.657 ( 0.000 1.638 -4.665) 4.944 7.100 ( 0.000 -2.172 -4.274) 4.794 7.100 ( 0.000 2.172 -4.274) 4.794 7.353 ( 0.000 -0.483 3.880) 3.910 7.353 ( 0.000 0.483 3.880) 3.910 7.451 ( 0.000 -2.217 -0.403) 2.253 7.451 ( 0.000 2.217 -0.403) 2.253 7.683 ( 0.000 -0.265 -4.695) 4.703 7.683 ( 0.000 0.265 -4.695) 4.703 7.773 ( 0.000 -0.064 2.193) 2.194 7.773 ( 0.000 0.064 2.193) 2.194 8.129 ( 0.000 -5.110 -4.337) 6.702 8.129 ( 0.000 5.110 -4.337) 6.702 8.243 ( 0.000 -0.723 -5.185) 5.236 8.243 ( 0.000 0.723 -5.185) 5.236 8.359 ( 0.000 -0.001 -1.969) 1.969 8.359 ( 0.000 0.001 -1.969) 1.969 8.484 ( 0.000 -0.293 -0.128) 0.320 8.484 ( 0.000 0.293 -0.128) 0.320 8.726 ( 0.000 -0.938 -3.071) 3.211 8.726 ( 0.000 0.938 -3.071) 3.211 8.984 ( 0.000 -1.590 -7.091) 7.267 8.984 ( 0.000 1.590 -7.091) 7.267 9.125 ( 0.000 -0.009 -10.935) 10.935 9.125 ( 0.000 0.009 -10.935) 10.935 9.332 ( 0.000 -1.701 -0.688) 1.834 9.332 ( 0.000 1.701 -0.688) 1.834 9.652 ( 0.000 -0.831 -3.697) 3.790 9.652 ( 0.000 0.831 -3.697) 3.790 9.728 ( 0.000 -5.951 -3.246) 6.778 9.728 ( 0.000 5.951 -3.246) 6.778 10.037 ( 0.000 -0.017 -7.292) 7.292 10.037 ( 0.000 0.017 -7.292) 7.292 10.343 ( 0.000 -0.917 4.316) 4.413 10.343 ( 0.000 0.917 4.316) 4.413 10.620 ( 0.000 -0.234 -0.325) 0.400 10.620 ( 0.000 0.234 -0.325) 0.400 10.685 ( 0.000 -0.205 -2.447) 2.456 10.685 ( 0.000 0.205 -2.447) 2.456 10.885 ( 0.000 -0.080 -6.324) 6.325 10.885 ( 0.000 0.080 -6.324) 6.325 11.263 ( 0.000 -4.211 5.127) 6.635 11.263 ( 0.000 4.211 5.127) 6.635 11.501 ( 0.000 -2.726 -0.592) 2.790 11.501 ( 0.000 2.726 -0.592) 2.790 11.589 ( 0.000 -0.506 -1.176) 1.280 11.589 ( 0.000 0.506 -1.176) 1.280 11.863 ( 0.000 -1.494 -2.027) 2.519 11.863 ( 0.000 1.494 -2.027) 2.519 12.121 ( 0.000 -0.452 1.285) 1.362 12.121 ( 0.000 0.452 1.285) 1.362 12.491 ( 0.000 -0.906 1.876) 2.083 12.491 ( 0.000 0.906 1.876) 2.083 12.781 ( 0.000 -0.844 3.900) 3.990 12.781 ( 0.000 0.844 3.900) 3.990 12.935 ( 0.000 -0.577 5.036) 5.069 12.935 ( 0.000 0.577 5.036) 5.069 13.679 ( 0.000 -2.559 -0.060) 2.560 13.679 ( 0.000 2.559 -0.060) 2.560 13.809 ( 0.000 -0.008 -3.843) 3.843 13.809 ( 0.000 0.008 -3.843) 3.843 14.224 ( 0.000 -4.800 5.857) 7.573 14.224 ( 0.000 4.800 5.857) 7.573 14.366 ( 0.000 -2.912 0.313) 2.929 14.366 ( 0.000 2.912 0.313) 2.929 14.586 ( 0.000 -4.644 -0.515) 4.672 14.586 ( 0.000 4.644 -0.515) 4.672 14.831 ( 0.000 -3.655 -1.013) 3.793 14.831 ( 0.000 3.655 -1.013) 3.793 15.536 ( 0.000 -4.191 7.321) 8.435 15.536 ( 0.000 4.191 7.321) 8.435 16.330 ( 0.000 -0.369 11.289) 11.295 16.330 ( 0.000 0.369 11.289) 11.295 16.748 ( 0.000 -4.549 0.868) 4.631 16.748 ( 0.000 4.549 0.868) 4.631 17.166 ( 0.000 -0.187 -5.677) 5.680 17.166 ( 0.000 0.187 -5.677) 5.680 17.792 ( 0.000 -5.370 -2.817) 6.064 17.792 ( 0.000 5.370 -2.817) 6.064 18.141 ( 0.000 -2.254 4.366) 4.913 18.141 ( 0.000 2.254 4.366) 4.913 18.603 ( 0.000 -10.734 -0.598) 10.751 18.603 ( 0.000 10.734 -0.598) 10.751 18.892 ( 0.000 -0.059 -10.556) 10.556 18.892 ( 0.000 0.059 -10.556) 10.556 19.261 ( 0.000 -0.129 3.717) 3.719 19.261 ( 0.000 0.129 3.717) 3.719 20.876 ( 0.000 -7.115 -0.266) 7.120 20.876 ( 0.000 7.115 -0.266) 7.120 ======================= Grid point 157 (59/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 7.347 -0.000 12.420) 14.430 2.801 ( 9.712 0.000 13.903) 16.959 3.359 ( -2.063 0.000 8.148) 8.405 3.437 ( 0.859 -0.000 -2.028) 2.203 3.504 ( 0.711 -0.000 4.243) 4.302 3.508 ( 0.007 0.000 2.119) 2.119 3.684 ( -1.395 -0.000 14.733) 14.799 3.723 ( -0.694 0.000 5.094) 5.141 3.943 ( -6.071 -0.000 4.919) 7.814 3.944 ( -0.965 0.000 -0.505) 1.089 4.060 ( -3.048 -0.000 -0.269) 3.060 4.158 ( -0.480 0.000 0.012) 0.480 4.354 ( -3.167 -0.000 -1.277) 3.414 4.446 ( -1.819 0.000 -0.584) 1.911 4.468 ( -6.011 -0.000 -7.089) 9.294 4.499 ( -1.438 0.000 -10.858) 10.953 4.642 ( -3.297 0.000 0.781) 3.388 4.741 ( 4.520 0.000 -7.781) 8.999 4.797 ( -3.951 0.000 0.471) 3.979 4.913 ( 0.485 0.000 -7.302) 7.318 5.198 ( 2.581 0.000 16.857) 17.053 5.367 ( 9.717 0.000 14.231) 17.231 5.509 ( -2.844 -0.000 14.129) 14.413 5.694 ( 3.509 0.000 9.072) 9.727 6.003 ( 2.747 0.000 -0.091) 2.748 6.065 ( 4.342 0.000 0.085) 4.343 6.296 ( -3.185 0.000 0.436) 3.214 6.356 ( -0.199 0.000 -2.473) 2.481 6.501 ( 4.003 0.000 3.603) 5.386 6.503 ( 4.277 -0.000 1.616) 4.572 6.584 ( -1.103 0.000 0.241) 1.129 6.788 ( 7.284 0.000 -9.230) 11.758 6.982 ( -8.173 0.000 -2.085) 8.435 7.026 ( -7.609 0.000 -3.236) 8.269 7.282 ( -7.284 0.000 3.709) 8.174 7.349 ( -1.332 0.000 0.364) 1.381 7.443 ( 0.228 0.000 -0.395) 0.456 7.471 ( -0.173 0.000 -5.295) 5.298 7.554 ( -4.588 -0.000 0.753) 4.649 7.683 ( -0.954 0.000 -5.329) 5.414 7.783 ( 3.443 0.000 0.689) 3.511 7.843 ( 1.735 0.000 4.557) 4.876 8.080 ( -4.473 0.000 -2.639) 5.194 8.117 ( -0.609 -0.000 -1.951) 2.044 8.247 ( 0.137 0.000 -6.419) 6.420 8.288 ( 4.851 0.000 -4.162) 6.391 8.397 ( 5.334 0.000 -0.573) 5.365 8.442 ( 1.621 0.000 -1.545) 2.239 8.542 ( 7.505 0.000 -2.604) 7.944 8.613 ( 7.566 0.000 -1.174) 7.657 8.740 ( 1.944 0.000 -3.731) 4.207 8.755 ( 2.017 -0.000 -2.765) 3.422 8.977 ( -0.911 0.000 -6.976) 7.035 8.981 ( 0.531 0.000 -7.854) 7.872 9.091 ( -0.142 0.000 -7.045) 7.046 9.178 ( 2.174 0.000 -12.565) 12.752 9.282 ( -2.382 0.000 2.095) 3.173 9.341 ( -1.237 0.000 -1.679) 2.085 9.544 ( -5.437 0.000 -1.230) 5.575 9.566 ( -6.184 0.000 -3.700) 7.206 9.724 ( -3.046 0.000 -7.014) 7.647 9.741 ( -6.240 0.000 -3.557) 7.183 9.952 ( 1.397 0.000 -9.648) 9.748 10.016 ( -1.410 -0.000 -8.483) 8.599 10.276 ( -4.358 0.000 3.193) 5.403 10.342 ( -9.655 0.000 -2.689) 10.023 10.518 ( -3.604 -0.000 -0.416) 3.628 10.533 ( 1.956 0.000 -3.840) 4.309 10.738 ( -0.550 0.000 2.784) 2.838 10.763 ( 1.887 0.000 -2.883) 3.446 10.865 ( 7.640 0.000 0.470) 7.654 11.004 ( -2.757 0.000 -1.436) 3.108 11.124 ( -0.941 0.000 6.421) 6.489 11.345 ( -2.141 0.000 4.060) 4.590 11.559 ( 10.303 -0.000 -2.896) 10.702 11.562 ( 4.311 0.000 -1.849) 4.690 11.636 ( -0.991 0.000 -2.829) 2.997 11.640 ( 2.204 -0.000 -1.690) 2.777 11.851 ( 7.262 0.000 -1.808) 7.484 11.876 ( -1.601 -0.000 -3.310) 3.677 12.101 ( -0.233 0.000 4.382) 4.388 12.179 ( 3.060 0.000 -0.156) 3.064 12.480 ( -1.146 0.000 4.771) 4.907 12.485 ( 0.236 -0.000 3.558) 3.565 12.694 ( -3.329 0.000 6.281) 7.108 12.899 ( 6.283 -0.000 0.841) 6.339 12.943 ( 0.674 0.000 2.146) 2.249 13.003 ( 4.902 0.000 3.306) 5.913 13.555 ( -8.669 0.000 3.984) 9.541 13.687 ( -1.762 0.000 -1.159) 2.109 13.785 ( -8.087 -0.000 -1.864) 8.299 13.824 ( -2.411 0.000 -3.250) 4.046 14.063 ( 1.031 0.000 -2.399) 2.611 14.092 ( -5.140 -0.000 -0.775) 5.199 14.373 ( 2.789 -0.000 4.682) 5.450 14.377 ( -2.629 0.000 0.363) 2.654 14.626 ( -2.133 0.000 -0.469) 2.183 14.628 ( -1.119 -0.000 1.969) 2.265 14.878 ( 14.461 0.000 7.808) 16.434 15.129 ( 13.756 0.000 0.536) 13.766 15.389 ( -7.669 0.000 11.105) 13.496 15.606 ( 4.396 0.000 -1.834) 4.763 16.091 ( -13.683 0.000 14.981) 20.290 16.412 ( -1.361 0.000 1.909) 2.345 16.768 ( 2.406 0.000 -0.981) 2.598 16.829 ( 5.378 0.000 1.995) 5.736 17.108 ( 0.926 0.000 5.075) 5.159 17.321 ( 8.099 0.000 -13.169) 15.460 17.671 ( -5.443 -0.000 -3.235) 6.332 17.865 ( 1.702 0.000 -3.550) 3.937 17.977 ( -9.706 0.000 6.782) 11.841 18.155 ( -3.692 0.000 -0.200) 3.697 18.547 ( -1.608 0.000 0.924) 1.855 18.640 ( 0.546 0.000 -0.923) 1.072 18.761 ( -4.246 0.000 -3.299) 5.377 18.836 ( -6.260 0.000 -7.803) 10.003 19.422 ( 18.131 0.000 5.731) 19.015 19.595 ( 20.024 0.000 -3.802) 20.382 20.716 ( -12.857 0.000 1.755) 12.976 20.795 ( -9.344 -0.000 -2.034) 9.563 ======================= Grid point 159 (60/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 5.965 0.000 11.492) 12.948 3.056 ( 12.947 0.000 15.063) 19.862 3.339 ( 0.334 -0.000 7.448) 7.456 3.358 ( -9.723 0.000 3.844) 10.455 3.436 ( -5.176 0.000 13.484) 14.443 3.494 ( 1.074 0.000 -1.687) 2.000 3.724 ( 3.140 -0.000 13.098) 13.469 3.798 ( -4.969 0.000 2.850) 5.728 3.810 ( 7.700 0.000 -3.677) 8.533 3.922 ( -1.715 0.000 1.396) 2.212 3.997 ( -2.684 -0.000 3.800) 4.652 4.112 ( -3.971 0.000 -3.191) 5.094 4.293 ( -2.011 0.000 -9.876) 10.079 4.305 ( -5.225 -0.000 -3.404) 6.236 4.433 ( -0.424 0.000 -4.856) 4.875 4.504 ( 1.642 0.000 -2.369) 2.883 4.560 ( -3.493 0.000 0.901) 3.607 4.751 ( -0.815 0.000 1.641) 1.832 4.832 ( 3.266 0.000 -4.291) 5.393 4.910 ( -0.842 0.000 -12.245) 12.274 5.246 ( 1.380 0.000 16.428) 16.486 5.476 ( -0.578 0.000 16.423) 16.433 5.549 ( 6.187 0.000 12.086) 13.577 5.725 ( -0.399 0.000 8.245) 8.255 6.093 ( 5.054 0.000 -0.287) 5.062 6.148 ( 2.723 0.000 0.954) 2.885 6.213 ( -4.669 0.000 0.107) 4.671 6.342 ( -0.866 0.000 -4.748) 4.826 6.546 ( 1.566 0.000 2.691) 3.114 6.605 ( 5.677 0.000 2.083) 6.048 6.654 ( 3.124 0.000 1.961) 3.688 6.790 ( -7.705 0.000 1.009) 7.771 6.877 ( -2.651 0.000 -3.062) 4.050 6.965 ( 6.895 0.000 -12.910) 14.636 7.084 ( -9.157 0.000 2.923) 9.612 7.260 ( -5.878 0.000 -5.738) 8.214 7.460 ( 1.559 0.000 0.454) 1.624 7.468 ( 0.298 0.000 -5.562) 5.570 7.500 ( -1.948 0.000 1.779) 2.638 7.664 ( -0.688 0.000 -2.912) 2.993 7.885 ( 5.211 0.000 0.102) 5.212 7.896 ( 3.343 0.000 3.452) 4.806 7.983 ( -4.098 0.000 3.581) 5.442 8.091 ( -2.955 -0.000 -2.631) 3.957 8.269 ( 3.278 0.000 -2.538) 4.146 8.394 ( -4.950 0.000 0.668) 4.995 8.399 ( 3.916 -0.000 -0.144) 3.919 8.486 ( 2.178 0.000 -4.751) 5.227 8.716 ( 7.651 0.000 -4.442) 8.847 8.748 ( 4.200 -0.000 -3.569) 5.511 8.775 ( 0.927 0.000 -4.636) 4.728 8.823 ( 1.756 -0.000 -2.753) 3.266 8.948 ( -1.683 0.000 2.010) 2.621 9.012 ( 2.021 0.000 -6.731) 7.028 9.094 ( 1.193 0.000 -11.096) 11.160 9.189 ( -2.327 0.000 -7.181) 7.549 9.279 ( 2.213 0.000 -2.145) 3.082 9.289 ( -1.284 -0.000 -4.482) 4.662 9.400 ( -8.889 0.000 -3.850) 9.687 9.499 ( -2.073 0.000 -9.265) 9.494 9.600 ( -3.693 0.000 -1.274) 3.907 9.657 ( 4.212 -0.000 -6.678) 7.896 9.903 ( -12.709 0.000 -11.578) 17.192 9.978 ( -0.818 0.000 -16.370) 16.390 10.240 ( 6.200 0.000 2.744) 6.780 10.277 ( 3.913 0.000 3.554) 5.286 10.429 ( -8.056 0.000 3.738) 8.881 10.609 ( 4.015 0.000 -4.186) 5.800 10.704 ( -1.235 0.000 3.561) 3.769 10.761 ( -4.587 0.000 -2.733) 5.339 10.858 ( -3.892 0.000 1.145) 4.057 10.965 ( 3.713 0.000 -0.614) 3.764 11.240 ( 5.125 0.000 5.715) 7.677 11.350 ( 1.004 -0.000 8.826) 8.882 11.490 ( -5.444 0.000 -3.158) 6.294 11.561 ( -1.574 0.000 -7.711) 7.870 11.728 ( 2.421 0.000 -3.053) 3.896 11.779 ( 5.375 0.000 -8.498) 10.055 11.835 ( -0.682 0.000 -0.948) 1.168 12.027 ( 1.669 0.000 -4.521) 4.820 12.205 ( 13.569 0.000 11.844) 18.011 12.258 ( 4.619 0.000 3.436) 5.757 12.442 ( -3.001 0.000 5.616) 6.368 12.463 ( -4.628 -0.000 8.875) 10.009 12.636 ( -1.840 0.000 3.573) 4.019 12.918 ( -2.736 0.000 -5.426) 6.077 13.028 ( 5.717 0.000 -0.648) 5.754 13.099 ( 2.809 0.000 -0.199) 2.816 13.322 ( -10.579 0.000 4.009) 11.313 13.623 ( -1.759 0.000 -3.720) 4.115 13.624 ( -3.732 -0.000 0.924) 3.845 13.727 ( -3.771 0.000 -1.055) 3.916 14.140 ( 6.443 0.000 1.170) 6.549 14.214 ( 7.661 -0.000 -3.402) 8.383 14.299 ( -5.771 0.000 4.044) 7.047 14.426 ( 2.409 0.000 5.827) 6.306 14.527 ( -6.213 0.000 -1.177) 6.324 14.603 ( 0.065 -0.000 1.730) 1.731 15.094 ( 0.706 -0.000 7.458) 7.492 15.259 ( 0.502 0.000 5.362) 5.386 15.380 ( 10.843 0.000 14.899) 18.427 15.776 ( -14.940 0.000 15.501) 21.529 15.830 ( 14.001 0.000 -9.507) 16.924 16.264 ( -10.745 0.000 -8.423) 13.653 16.828 ( 2.497 0.000 2.906) 3.831 16.931 ( 3.209 0.000 3.024) 4.410 17.161 ( 1.964 0.000 7.426) 7.682 17.460 ( 3.819 0.000 -20.014) 20.375 17.619 ( 1.961 0.000 -2.071) 2.852 17.765 ( -9.440 0.000 6.752) 11.607 17.901 ( 3.357 0.000 -2.993) 4.497 18.026 ( -7.252 0.000 -2.228) 7.587 18.540 ( 0.417 -0.000 1.846) 1.893 18.637 ( -0.345 0.000 -1.048) 1.103 18.710 ( -1.075 0.000 -0.990) 1.461 18.749 ( -1.870 0.000 -1.426) 2.352 19.857 ( 20.912 0.000 4.457) 21.381 20.033 ( 19.702 -0.000 -4.542) 20.219 20.366 ( -18.721 0.000 3.333) 19.015 20.511 ( -15.990 -0.000 -3.386) 16.345 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 0.000 0.000 -18.208) 18.208 2.852 ( 0.000 0.000 18.208) 18.208 3.293 ( 0.000 0.000 -14.273) 14.273 3.293 ( 0.000 0.000 14.273) 14.273 3.488 ( 0.000 0.000 -6.578) 6.578 3.488 ( 0.000 0.000 6.578) 6.578 3.786 ( 0.000 0.000 -13.343) 13.343 3.786 ( 0.000 0.000 13.343) 13.343 4.001 ( 0.000 0.000 -3.005) 3.005 4.001 ( 0.000 0.000 3.005) 3.005 4.064 ( 0.000 0.000 -7.174) 7.174 4.064 ( 0.000 0.000 7.174) 7.174 4.350 ( 0.000 0.000 -11.134) 11.134 4.350 ( 0.000 0.000 11.134) 11.134 4.382 ( 0.000 0.000 -15.149) 15.149 4.382 ( 0.000 0.000 15.149) 15.149 4.614 ( 0.000 0.000 -1.276) 1.276 4.614 ( 0.000 0.000 1.276) 1.276 4.942 ( 0.000 0.000 -9.558) 9.558 4.942 ( 0.000 0.000 9.558) 9.558 5.329 ( 0.000 0.000 -4.649) 4.649 5.329 ( 0.000 0.000 4.649) 4.649 5.523 ( 0.000 0.000 -0.490) 0.490 5.523 ( 0.000 0.000 0.490) 0.490 6.001 ( 0.000 0.000 -0.024) 0.024 6.001 ( 0.000 0.000 0.024) 0.024 6.399 ( 0.000 0.000 -1.157) 1.157 6.399 ( 0.000 0.000 1.157) 1.157 6.594 ( 0.000 0.000 -2.323) 2.323 6.594 ( 0.000 0.000 2.323) 2.323 6.698 ( 0.000 0.000 -3.791) 3.791 6.698 ( 0.000 0.000 3.791) 3.791 6.983 ( 0.000 0.000 -6.912) 6.912 6.983 ( 0.000 0.000 6.912) 6.912 7.271 ( 0.000 0.000 -2.434) 2.434 7.271 ( 0.000 0.000 2.434) 2.434 7.557 ( 0.000 0.000 -3.664) 3.664 7.557 ( 0.000 0.000 3.664) 3.664 7.710 ( 0.000 0.000 -2.641) 2.641 7.710 ( 0.000 0.000 2.641) 2.641 7.861 ( 0.000 0.000 -4.035) 4.035 7.861 ( 0.000 0.000 4.035) 4.035 8.133 ( 0.000 0.000 -0.174) 0.174 8.133 ( 0.000 0.000 0.174) 0.174 8.362 ( 0.000 0.000 -3.545) 3.545 8.362 ( 0.000 0.000 3.545) 3.545 8.364 ( 0.000 0.000 -1.840) 1.840 8.364 ( 0.000 0.000 1.840) 1.840 8.684 ( 0.000 0.000 -1.125) 1.125 8.684 ( 0.000 0.000 1.125) 1.125 8.830 ( 0.000 0.000 -5.036) 5.036 8.830 ( 0.000 0.000 5.036) 5.036 8.884 ( 0.000 0.000 -1.561) 1.561 8.884 ( 0.000 0.000 1.561) 1.561 9.214 ( 0.000 0.000 -5.435) 5.435 9.214 ( 0.000 0.000 5.435) 5.435 9.523 ( 0.000 0.000 -8.237) 8.237 9.523 ( 0.000 0.000 8.237) 8.237 9.541 ( 0.000 0.000 -1.711) 1.711 9.541 ( 0.000 0.000 1.711) 1.711 9.867 ( 0.000 0.000 -3.233) 3.233 9.867 ( 0.000 0.000 3.233) 3.233 9.883 ( 0.000 0.000 -1.893) 1.893 9.883 ( 0.000 0.000 1.893) 1.893 10.219 ( 0.000 0.000 -0.988) 0.988 10.219 ( 0.000 0.000 0.988) 0.988 10.418 ( 0.000 0.000 -1.755) 1.755 10.418 ( 0.000 0.000 1.755) 1.755 10.586 ( 0.000 0.000 -1.677) 1.677 10.586 ( 0.000 0.000 1.677) 1.677 10.721 ( 0.000 0.000 -1.190) 1.190 10.721 ( 0.000 0.000 1.190) 1.190 11.103 ( 0.000 0.000 -9.126) 9.126 11.103 ( 0.000 0.000 9.126) 9.126 11.183 ( 0.000 0.000 -8.677) 8.677 11.183 ( 0.000 0.000 8.677) 8.677 11.652 ( 0.000 0.000 -5.382) 5.382 11.652 ( 0.000 0.000 5.382) 5.382 11.769 ( 0.000 0.000 -2.881) 2.881 11.769 ( 0.000 0.000 2.881) 2.881 12.180 ( 0.000 0.000 -4.112) 4.112 12.180 ( 0.000 0.000 4.112) 4.112 12.501 ( 0.000 0.000 -2.360) 2.360 12.501 ( 0.000 0.000 2.360) 2.360 12.825 ( 0.000 0.000 -6.704) 6.704 12.825 ( 0.000 0.000 6.704) 6.704 13.386 ( 0.000 0.000 -1.195) 1.195 13.386 ( 0.000 0.000 1.195) 1.195 13.652 ( 0.000 0.000 -8.245) 8.245 13.652 ( 0.000 0.000 8.245) 8.245 13.719 ( 0.000 0.000 -7.358) 7.358 13.719 ( 0.000 0.000 7.358) 7.358 14.164 ( 0.000 0.000 -3.653) 3.653 14.164 ( 0.000 0.000 3.653) 3.653 14.358 ( 0.000 0.000 -4.100) 4.100 14.358 ( 0.000 0.000 4.100) 4.100 14.649 ( 0.000 0.000 -14.197) 14.197 14.649 ( 0.000 0.000 14.197) 14.197 14.895 ( 0.000 0.000 -7.972) 7.972 14.895 ( 0.000 0.000 7.972) 7.972 15.359 ( 0.000 0.000 -2.479) 2.479 15.359 ( 0.000 0.000 2.479) 2.479 16.195 ( 0.000 0.000 -4.176) 4.176 16.195 ( 0.000 0.000 4.176) 4.176 16.589 ( 0.000 0.000 -6.386) 6.386 16.589 ( 0.000 0.000 6.386) 6.386 17.256 ( 0.000 0.000 -4.282) 4.282 17.256 ( 0.000 0.000 4.282) 4.282 17.759 ( 0.000 0.000 -11.825) 11.825 17.759 ( 0.000 0.000 11.825) 11.825 18.083 ( 0.000 0.000 -3.957) 3.957 18.083 ( 0.000 0.000 3.957) 3.957 18.656 ( 0.000 0.000 -3.414) 3.414 18.656 ( 0.000 0.000 3.414) 3.414 18.937 ( 0.000 0.000 -16.025) 16.025 18.937 ( 0.000 0.000 16.025) 16.025 19.603 ( 0.000 0.000 -0.755) 0.755 19.603 ( 0.000 0.000 0.755) 0.755 20.809 ( 0.000 0.000 -15.380) 15.380 20.809 ( 0.000 0.000 15.380) 15.380 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 10.803 0.000 -16.445) 19.676 2.974 ( 10.803 0.000 16.445) 19.676 3.299 ( 0.588 0.000 -13.047) 13.060 3.299 ( 0.588 0.000 13.047) 13.060 3.458 ( -2.509 0.000 -6.240) 6.725 3.458 ( -2.509 0.000 6.240) 6.725 3.723 ( -5.316 0.000 -14.148) 15.113 3.723 ( -5.316 0.000 14.148) 15.113 3.979 ( -1.813 0.000 -6.552) 6.798 3.979 ( -1.813 0.000 6.552) 6.798 4.053 ( -1.947 0.000 -9.777) 9.969 4.053 ( -1.947 0.000 9.777) 9.969 4.340 ( -0.323 0.000 -12.515) 12.519 4.340 ( -0.323 0.000 12.515) 12.519 4.382 ( 0.095 0.000 -14.320) 14.320 4.382 ( 0.095 0.000 14.320) 14.320 4.619 ( 0.500 0.000 -6.154) 6.174 4.619 ( 0.500 0.000 6.154) 6.174 4.868 ( -5.776 0.000 -8.782) 10.511 4.868 ( -5.776 0.000 8.782) 10.511 5.379 ( 3.598 0.000 -3.254) 4.852 5.379 ( 3.598 0.000 3.254) 4.852 5.514 ( -0.812 0.000 -4.086) 4.166 5.514 ( -0.812 0.000 4.086) 4.166 6.074 ( 6.359 0.000 -3.470) 7.244 6.074 ( 6.359 0.000 3.470) 7.244 6.394 ( -0.727 0.000 -1.877) 2.013 6.394 ( -0.727 0.000 1.877) 2.013 6.629 ( 3.263 0.000 -4.845) 5.841 6.629 ( 3.263 0.000 4.845) 5.841 6.741 ( 3.861 0.000 -5.619) 6.818 6.741 ( 3.861 0.000 5.619) 6.818 6.997 ( 0.820 0.000 -7.041) 7.088 6.997 ( 0.820 0.000 7.041) 7.088 7.139 ( -8.846 0.000 -4.027) 9.720 7.139 ( -8.846 0.000 4.027) 9.720 7.604 ( -0.108 0.000 -2.750) 2.752 7.604 ( -0.108 0.000 2.750) 2.752 7.702 ( -1.310 0.000 -3.753) 3.975 7.702 ( -1.310 0.000 3.753) 3.975 7.901 ( 5.305 0.000 -4.433) 6.913 7.901 ( 5.305 0.000 4.433) 6.913 8.095 ( -2.501 0.000 -4.404) 5.064 8.095 ( -2.501 0.000 4.404) 5.064 8.387 ( 1.961 0.000 -5.005) 5.375 8.387 ( 1.961 0.000 5.005) 5.375 8.418 ( 3.565 0.000 -3.510) 5.003 8.418 ( 3.565 0.000 3.510) 5.003 8.692 ( 1.379 0.000 -5.802) 5.964 8.692 ( 1.379 0.000 5.802) 5.964 8.832 ( 0.049 0.000 -5.672) 5.672 8.832 ( 0.049 0.000 5.672) 5.672 8.923 ( 3.545 0.000 -6.203) 7.144 8.923 ( 3.545 0.000 6.203) 7.144 9.185 ( -2.121 0.000 -4.224) 4.727 9.185 ( -2.121 0.000 4.224) 4.727 9.422 ( -6.680 0.000 -7.779) 10.254 9.422 ( -6.680 0.000 7.779) 10.254 9.491 ( -5.280 0.000 -6.986) 8.756 9.491 ( -5.280 0.000 6.986) 8.756 9.786 ( -5.790 0.000 -8.418) 10.217 9.786 ( -5.790 0.000 8.418) 10.217 9.883 ( -2.386 0.000 -7.867) 8.221 9.883 ( -2.386 0.000 7.867) 8.221 10.321 ( 6.724 0.000 -8.921) 11.172 10.321 ( 6.724 0.000 8.921) 11.172 10.349 ( -0.279 0.000 -4.242) 4.252 10.349 ( -0.279 0.000 4.242) 4.252 10.717 ( 0.329 0.000 -3.804) 3.819 10.717 ( 0.329 0.000 3.804) 3.819 10.719 ( 8.103 0.000 -3.328) 8.760 10.719 ( 8.103 0.000 3.328) 8.760 11.050 ( -4.657 0.000 -8.688) 9.858 11.050 ( -4.657 0.000 8.688) 9.858 11.184 ( -0.828 0.000 -6.362) 6.416 11.184 ( -0.828 0.000 6.362) 6.416 11.679 ( 2.076 0.000 -8.241) 8.498 11.679 ( 2.076 0.000 8.241) 8.498 11.753 ( -1.305 0.000 -4.297) 4.491 11.753 ( -1.305 0.000 4.297) 4.491 12.216 ( 3.094 0.000 -5.295) 6.133 12.216 ( 3.094 0.000 5.295) 6.133 12.454 ( -3.925 0.000 -4.371) 5.875 12.454 ( -3.925 0.000 4.371) 5.875 12.830 ( 1.314 0.000 -9.827) 9.915 12.830 ( 1.314 0.000 9.827) 9.915 13.290 ( -7.301 0.000 -9.349) 11.862 13.290 ( -7.301 0.000 9.349) 11.862 13.719 ( 5.101 0.000 -8.454) 9.873 13.719 ( 5.101 0.000 8.454) 9.873 13.740 ( 0.969 0.000 -4.032) 4.147 13.740 ( 0.969 0.000 4.032) 4.147 14.277 ( 8.580 0.000 -1.764) 8.759 14.277 ( 8.580 0.000 1.764) 8.759 14.363 ( 0.433 0.000 -5.021) 5.039 14.363 ( 0.433 0.000 5.021) 5.039 14.645 ( 0.491 0.000 -10.791) 10.802 14.645 ( 0.491 0.000 10.791) 10.802 14.851 ( -3.458 0.000 -8.869) 9.519 14.851 ( -3.458 0.000 8.869) 9.519 15.373 ( 1.692 0.000 -7.800) 7.981 15.373 ( 1.692 0.000 7.800) 7.981 16.062 ( -11.783 0.000 -8.160) 14.332 16.062 ( -11.783 0.000 8.160) 14.332 16.683 ( 8.381 0.000 -6.819) 10.805 16.683 ( 8.381 0.000 6.819) 10.805 17.244 ( -2.135 0.000 -9.352) 9.592 17.244 ( -2.135 0.000 9.352) 9.592 17.772 ( 1.929 0.000 -10.952) 11.120 17.772 ( 1.929 0.000 10.952) 11.120 18.061 ( -2.268 0.000 -4.485) 5.026 18.061 ( -2.268 0.000 4.485) 5.026 18.675 ( 1.992 0.000 -4.563) 4.979 18.675 ( 1.992 0.000 4.563) 4.979 18.919 ( -2.087 0.000 -15.445) 15.586 18.919 ( -2.087 0.000 15.445) 15.586 19.716 ( 10.525 0.000 -6.227) 12.229 19.716 ( 10.525 0.000 6.227) 12.229 20.694 ( -10.501 0.000 -14.678) 18.047 20.694 ( -10.501 0.000 14.678) 18.047 ======================= Grid point 179 (63/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 11.477 0.000 -10.633) 15.646 3.241 ( 11.477 0.000 10.633) 15.646 3.315 ( 0.696 0.000 -10.215) 10.239 3.315 ( 0.696 0.000 10.215) 10.239 3.417 ( 0.475 0.000 -6.912) 6.928 3.417 ( 0.475 0.000 6.912) 6.928 3.570 ( -9.387 0.000 -14.169) 16.997 3.570 ( -9.387 0.000 14.169) 16.997 3.948 ( -0.412 0.000 -10.389) 10.397 3.948 ( -0.412 0.000 10.389) 10.397 3.982 ( -3.532 0.000 -10.841) 11.402 3.982 ( -3.532 0.000 10.841) 11.402 4.352 ( 1.281 0.000 -13.936) 13.995 4.352 ( 1.281 0.000 13.936) 13.995 4.378 ( -0.777 0.000 -13.708) 13.730 4.378 ( -0.777 0.000 13.708) 13.730 4.649 ( 2.792 0.000 -8.228) 8.689 4.649 ( 2.792 0.000 8.228) 8.689 4.741 ( -5.648 0.000 -8.301) 10.040 4.741 ( -5.648 0.000 8.301) 10.040 5.447 ( 2.660 0.000 -4.144) 4.924 5.447 ( 2.660 0.000 4.144) 4.924 5.490 ( -1.475 0.000 -5.233) 5.437 5.490 ( -1.475 0.000 5.233) 5.437 6.231 ( 7.389 0.000 -3.910) 8.360 6.231 ( 7.389 0.000 3.910) 8.360 6.351 ( -3.708 0.000 -3.032) 4.790 6.351 ( -3.708 0.000 3.032) 4.790 6.731 ( 6.185 0.000 -4.208) 7.481 6.731 ( 6.185 0.000 4.208) 7.481 6.824 ( 1.277 0.000 -4.701) 4.871 6.824 ( 1.277 0.000 4.701) 4.871 6.973 ( -4.574 0.000 -3.619) 5.833 6.973 ( -4.574 0.000 3.619) 5.833 6.989 ( -1.952 0.000 -5.269) 5.619 6.989 ( -1.952 0.000 5.269) 5.619 7.582 ( 0.258 0.000 -2.839) 2.851 7.582 ( 0.258 0.000 2.839) 2.851 7.638 ( -4.156 0.000 -3.305) 5.310 7.638 ( -4.156 0.000 3.305) 5.310 8.023 ( 4.193 0.000 -6.343) 7.603 8.023 ( 4.193 0.000 6.343) 7.603 8.064 ( -0.651 0.000 -5.562) 5.600 8.064 ( -0.651 0.000 5.562) 5.600 8.429 ( 1.753 0.000 -8.746) 8.920 8.429 ( 1.753 0.000 8.746) 8.920 8.454 ( -0.283 0.000 -9.411) 9.416 8.454 ( -0.283 0.000 9.411) 9.416 8.762 ( 4.421 0.000 -5.598) 7.133 8.762 ( 4.421 0.000 5.598) 7.133 8.824 ( -1.184 0.000 -5.969) 6.086 8.824 ( -1.184 0.000 5.969) 6.086 9.027 ( 6.183 0.000 -9.733) 11.531 9.027 ( 6.183 0.000 9.733) 11.531 9.140 ( -2.914 0.000 -5.317) 6.063 9.140 ( -2.914 0.000 5.317) 6.063 9.311 ( -3.071 0.000 -3.372) 4.560 9.311 ( -3.071 0.000 3.372) 4.560 9.338 ( -6.575 0.000 -6.756) 9.428 9.338 ( -6.575 0.000 6.756) 9.428 9.717 ( -0.564 0.000 -5.617) 5.645 9.717 ( -0.564 0.000 5.617) 5.645 9.769 ( -5.485 0.000 -2.868) 6.189 9.769 ( -5.485 0.000 2.868) 6.189 10.410 ( 3.258 0.000 -8.754) 9.340 10.410 ( 3.258 0.000 8.754) 9.340 10.425 ( 2.254 0.000 -11.221) 11.445 10.425 ( 2.254 0.000 11.221) 11.445 10.764 ( 4.258 0.000 -5.186) 6.710 10.764 ( 4.258 0.000 5.186) 6.710 10.852 ( 0.242 0.000 -6.681) 6.686 10.852 ( 0.242 0.000 6.681) 6.686 10.968 ( 1.931 0.000 -8.718) 8.929 10.968 ( 1.931 0.000 8.718) 8.929 11.108 ( -6.561 0.000 -3.937) 7.651 11.108 ( -6.561 0.000 3.937) 7.651 11.716 ( 1.103 0.000 -10.225) 10.284 11.716 ( 1.103 0.000 10.225) 10.284 11.730 ( -0.665 0.000 -7.423) 7.452 11.730 ( -0.665 0.000 7.423) 7.452 12.290 ( 3.499 0.000 -4.937) 6.051 12.290 ( 3.499 0.000 4.937) 6.051 12.365 ( -3.927 0.000 -4.889) 6.271 12.365 ( -3.927 0.000 4.889) 6.271 12.918 ( 7.227 0.000 -13.210) 15.058 12.918 ( 7.227 0.000 13.210) 15.058 13.108 ( -9.656 0.000 -12.938) 16.144 13.108 ( -9.656 0.000 12.938) 16.144 13.773 ( 2.321 0.000 -7.529) 7.879 13.773 ( 2.321 0.000 7.529) 7.879 13.798 ( 1.192 0.000 -7.970) 8.059 13.798 ( 1.192 0.000 7.970) 8.059 14.378 ( 1.043 0.000 -6.880) 6.958 14.378 ( 1.043 0.000 6.880) 6.958 14.391 ( 1.059 0.000 -5.049) 5.159 14.391 ( 1.059 0.000 5.049) 5.159 14.708 ( 4.579 0.000 -5.578) 7.217 14.708 ( 4.579 0.000 5.578) 7.217 14.782 ( -2.812 0.000 -9.524) 9.930 14.782 ( -2.812 0.000 9.524) 9.930 15.472 ( 9.031 0.000 -13.047) 15.868 15.472 ( 9.031 0.000 13.047) 15.868 15.753 ( -15.863 0.000 -12.299) 20.072 15.753 ( -15.863 0.000 12.299) 20.072 16.905 ( 11.650 0.000 -8.606) 14.483 16.905 ( 11.650 0.000 8.606) 14.483 17.130 ( -8.679 0.000 -10.774) 13.835 17.130 ( -8.679 0.000 10.774) 13.835 17.856 ( 5.689 0.000 -8.529) 10.252 17.856 ( 5.689 0.000 8.529) 10.252 17.980 ( -5.295 0.000 -5.958) 7.970 17.980 ( -5.295 0.000 5.958) 7.970 18.744 ( 4.407 0.000 -9.070) 10.084 18.744 ( 4.407 0.000 9.070) 10.084 18.845 ( -4.608 0.000 -13.369) 14.141 18.845 ( -4.608 0.000 13.369) 14.141 20.021 ( 17.214 0.000 -10.702) 20.269 20.021 ( 17.214 0.000 10.702) 20.269 20.394 ( -17.012 0.000 -13.052) 21.442 20.394 ( -17.012 0.000 13.052) 21.442 ======================= Grid point 185 (64/72) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 0.000 -0.538 -16.322) 16.330 2.841 ( 0.000 -0.538 16.322) 16.330 3.301 ( 0.000 1.620 -10.151) 10.280 3.301 ( 0.000 1.620 10.151) 10.280 3.520 ( 0.000 1.288 -10.638) 10.716 3.520 ( 0.000 1.288 10.638) 10.716 3.815 ( 0.000 2.794 -12.474) 12.784 3.815 ( 0.000 2.794 12.474) 12.784 4.025 ( 0.000 -1.026 -1.232) 1.604 4.025 ( 0.000 -1.026 1.232) 1.604 4.081 ( 0.000 4.548 -8.399) 9.552 4.081 ( 0.000 4.548 8.399) 9.552 4.315 ( 0.000 -0.775 -8.419) 8.455 4.315 ( 0.000 -0.775 8.419) 8.455 4.435 ( 0.000 1.768 -11.582) 11.716 4.435 ( 0.000 1.768 11.582) 11.716 4.611 ( 0.000 0.849 -0.693) 1.096 4.611 ( 0.000 0.849 0.693) 1.096 4.868 ( 0.000 -5.705 -9.221) 10.843 4.868 ( 0.000 -5.705 9.221) 10.843 5.340 ( 0.000 1.661 -4.210) 4.526 5.340 ( 0.000 1.661 4.210) 4.526 5.615 ( 0.000 6.514 -2.254) 6.893 5.615 ( 0.000 6.514 2.254) 6.893 5.991 ( 0.000 -0.837 -0.311) 0.893 5.991 ( 0.000 -0.837 0.311) 0.893 6.377 ( 0.000 -1.491 -2.212) 2.668 6.377 ( 0.000 -1.491 2.212) 2.668 6.583 ( 0.000 -1.820 -1.267) 2.217 6.583 ( 0.000 -1.820 1.267) 2.217 6.669 ( 0.000 -2.301 -4.186) 4.777 6.669 ( 0.000 -2.301 4.186) 4.777 6.998 ( 0.000 1.588 -4.817) 5.072 6.998 ( 0.000 1.588 4.817) 5.072 7.299 ( 0.000 2.595 -2.721) 3.760 7.299 ( 0.000 2.595 2.721) 3.760 7.518 ( 0.000 -2.868 -1.431) 3.206 7.518 ( 0.000 -2.868 1.431) 3.206 7.722 ( 0.000 -0.194 -0.245) 0.313 7.722 ( 0.000 -0.194 0.245) 0.313 7.839 ( 0.000 -1.968 -1.393) 2.412 7.839 ( 0.000 -1.968 1.393) 2.412 8.103 ( 0.000 -1.883 -1.885) 2.665 8.103 ( 0.000 -1.883 1.885) 2.665 8.291 ( 0.000 -3.713 -0.507) 3.747 8.291 ( 0.000 -3.713 0.507) 3.747 8.397 ( 0.000 0.060 -2.638) 2.639 8.397 ( 0.000 0.060 2.638) 2.639 8.644 ( 0.000 -4.403 -0.326) 4.415 8.644 ( 0.000 -4.403 0.326) 4.415 8.804 ( 0.000 -1.430 -2.272) 2.685 8.804 ( 0.000 -1.430 2.272) 2.685 8.917 ( 0.000 1.457 -0.164) 1.466 8.917 ( 0.000 1.457 0.164) 1.466 9.130 ( 0.000 -7.164 -2.489) 7.584 9.130 ( 0.000 -7.164 2.489) 7.584 9.437 ( 0.000 -6.274 -10.142) 11.925 9.437 ( 0.000 -6.274 10.142) 11.925 9.550 ( 0.000 -0.227 -0.546) 0.591 9.550 ( 0.000 -0.227 0.546) 0.591 9.647 ( 0.000 -3.664 -7.000) 7.901 9.647 ( 0.000 -3.664 7.000) 7.901 10.196 ( 0.000 12.043 -1.737) 12.168 10.196 ( 0.000 12.043 1.737) 12.168 10.310 ( 0.000 5.161 -2.433) 5.706 10.310 ( 0.000 5.161 2.433) 5.706 10.418 ( 0.000 -8.326 -1.186) 8.410 10.418 ( 0.000 -8.326 1.186) 8.410 10.493 ( 0.000 6.168 -0.305) 6.176 10.493 ( 0.000 6.168 0.305) 6.176 10.739 ( 0.000 0.315 -0.116) 0.336 10.739 ( 0.000 0.315 0.116) 0.336 11.143 ( 0.000 4.976 -9.925) 11.102 11.143 ( 0.000 4.976 9.925) 11.102 11.308 ( 0.000 8.110 -6.104) 10.150 11.308 ( 0.000 8.110 6.104) 10.150 11.614 ( 0.000 -2.437 -4.201) 4.857 11.614 ( 0.000 -2.437 4.201) 4.857 11.797 ( 0.000 1.805 -1.071) 2.099 11.797 ( 0.000 1.805 1.071) 2.099 12.159 ( 0.000 -1.530 -2.171) 2.656 12.159 ( 0.000 -1.530 2.171) 2.656 12.511 ( 0.000 0.751 -1.948) 2.087 12.511 ( 0.000 0.751 1.948) 2.087 12.829 ( 0.000 0.702 -5.675) 5.718 12.829 ( 0.000 0.702 5.675) 5.718 13.248 ( 0.000 -11.238 -1.095) 11.291 13.248 ( 0.000 -11.238 1.095) 11.291 13.675 ( 0.000 3.838 -6.339) 7.411 13.675 ( 0.000 3.838 6.339) 7.411 13.848 ( 0.000 5.142 -5.590) 7.595 13.848 ( 0.000 5.142 5.590) 7.595 14.094 ( 0.000 -2.894 -2.549) 3.857 14.094 ( 0.000 -2.894 2.549) 3.857 14.383 ( 0.000 1.358 -2.913) 3.214 14.383 ( 0.000 1.358 2.913) 3.214 14.545 ( 0.000 -4.740 -12.969) 13.808 14.545 ( 0.000 -4.740 12.969) 13.808 15.001 ( 0.000 1.913 -2.870) 3.449 15.001 ( 0.000 1.913 2.870) 3.449 15.353 ( 0.000 3.559 -1.824) 3.999 15.353 ( 0.000 3.559 1.824) 3.999 16.283 ( 0.000 6.946 -3.197) 7.647 16.283 ( 0.000 6.946 3.197) 7.647 16.621 ( 0.000 3.042 -5.973) 6.703 16.621 ( 0.000 3.042 5.973) 6.703 17.228 ( 0.000 -2.496 -3.591) 4.374 17.228 ( 0.000 -2.496 3.591) 4.374 17.757 ( 0.000 -0.246 -11.030) 11.033 17.757 ( 0.000 -0.246 11.030) 11.033 18.106 ( 0.000 2.060 -3.424) 3.996 18.106 ( 0.000 2.060 3.424) 3.996 18.627 ( 0.000 -2.334 -4.621) 5.177 18.627 ( 0.000 -2.334 4.621) 5.177 18.911 ( 0.000 -2.588 -12.829) 13.087 18.911 ( 0.000 -2.588 12.829) 13.087 19.529 ( 0.000 -6.611 -0.045) 6.612 19.529 ( 0.000 -6.611 0.045) 6.612 20.828 ( 0.000 1.569 -12.948) 13.042 20.828 ( 0.000 1.569 12.948) 13.042 ======================= Grid point 187 (65/72) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 9.784 -1.236 -14.624) 17.638 2.954 ( 9.784 -1.236 14.624) 17.638 3.318 ( 1.586 2.240 -9.040) 9.447 3.318 ( 1.586 2.240 9.040) 9.447 3.500 ( -1.685 2.435 -9.840) 10.275 3.500 ( -1.685 2.435 9.840) 10.275 3.744 ( -5.752 2.000 -11.343) 12.875 3.744 ( -5.752 2.000 11.343) 12.875 3.987 ( -2.923 -0.278 -6.463) 7.099 3.987 ( -2.923 -0.278 6.463) 7.099 4.086 ( -1.212 3.440 -8.472) 9.224 4.086 ( -1.212 3.440 8.472) 9.224 4.299 ( -0.567 -1.339 -10.352) 10.454 4.299 ( -0.567 -1.339 10.352) 10.454 4.440 ( 0.341 2.859 -11.676) 12.026 4.440 ( 0.341 2.859 11.676) 12.026 4.609 ( -0.115 -0.216 -5.632) 5.637 4.609 ( -0.115 -0.216 5.632) 5.637 4.808 ( -4.647 -4.663 -8.554) 10.794 4.808 ( -4.647 -4.663 8.554) 10.794 5.393 ( 4.021 1.980 -3.721) 5.826 5.393 ( 4.021 1.980 3.721) 5.826 5.599 ( -1.304 6.221 -4.598) 7.845 5.599 ( -1.304 6.221 4.598) 7.845 6.063 ( 6.058 -1.010 -3.456) 7.047 6.063 ( 6.058 -1.010 3.456) 7.047 6.378 ( -0.117 -1.264 -2.802) 3.077 6.378 ( -0.117 -1.264 2.802) 3.077 6.608 ( 2.319 -2.262 -3.440) 4.726 6.608 ( 2.319 -2.262 3.440) 4.726 6.713 ( 3.992 -2.442 -5.677) 7.357 6.713 ( 3.992 -2.442 5.677) 7.357 6.991 ( -1.667 -0.488 -4.706) 5.016 6.991 ( -1.667 -0.488 4.706) 5.016 7.162 ( -8.037 2.564 -4.868) 9.740 7.162 ( -8.037 2.564 4.868) 9.740 7.575 ( 1.109 -2.329 -2.263) 3.431 7.575 ( 1.109 -2.329 2.263) 3.431 7.689 ( -3.182 -2.105 -3.312) 5.052 7.689 ( -3.182 -2.105 3.312) 5.052 7.895 ( 5.559 -0.838 -3.542) 6.644 7.895 ( 5.559 -0.838 3.542) 6.644 8.080 ( -1.547 -0.833 -4.472) 4.805 8.080 ( -1.547 -0.833 4.472) 4.805 8.319 ( 2.475 -4.046 -3.149) 5.693 8.319 ( 2.475 -4.046 3.149) 5.693 8.449 ( 3.498 0.682 -3.778) 5.194 8.449 ( 3.498 0.682 3.778) 5.194 8.670 ( 2.135 -2.750 -4.501) 5.691 8.670 ( 2.135 -2.750 4.501) 5.691 8.791 ( -0.067 -2.755 -2.844) 3.960 8.791 ( -0.067 -2.755 2.844) 3.960 8.939 ( 1.344 0.410 -4.149) 4.381 8.939 ( 1.344 0.410 4.149) 4.381 9.123 ( 0.334 -5.324 -2.794) 6.022 9.123 ( 0.334 -5.324 2.794) 6.022 9.390 ( -4.190 -1.951 -6.444) 7.930 9.390 ( -4.190 -1.951 6.444) 7.930 9.518 ( -3.308 0.638 -4.686) 5.771 9.518 ( -3.308 0.638 4.686) 5.771 9.652 ( -1.069 -5.325 -7.629) 9.365 9.652 ( -1.069 -5.325 7.629) 9.365 9.953 ( -12.070 2.697 -6.571) 14.005 9.953 ( -12.070 2.697 6.571) 14.005 10.274 ( -2.230 -1.523 -3.870) 4.719 10.274 ( -2.230 -1.523 3.870) 4.719 10.480 ( 1.188 3.438 -3.089) 4.772 10.480 ( 1.188 3.438 3.089) 4.772 10.655 ( 9.506 3.434 -4.376) 11.014 10.655 ( 9.506 3.434 4.376) 11.014 10.771 ( 3.362 1.345 -2.747) 4.545 10.771 ( 3.362 1.345 2.747) 4.545 11.103 ( -3.185 6.197 -8.430) 10.937 11.103 ( -3.185 6.197 8.430) 10.937 11.327 ( 1.252 8.856 -5.040) 10.266 11.327 ( 1.252 8.856 5.040) 10.266 11.640 ( 1.853 -1.829 -3.602) 4.445 11.640 ( 1.853 -1.829 3.602) 4.445 11.790 ( 0.040 2.434 -4.162) 4.822 11.790 ( 0.040 2.434 4.162) 4.822 12.204 ( 3.494 -1.150 -4.002) 5.436 12.204 ( 3.494 -1.150 4.002) 5.436 12.448 ( -4.976 0.010 -4.012) 6.392 12.448 ( -4.976 0.010 4.012) 6.392 12.840 ( 1.549 1.209 -8.792) 9.009 12.840 ( 1.549 1.209 8.792) 9.009 13.222 ( -3.478 -7.139 -7.490) 10.916 13.222 ( -3.478 -7.139 7.490) 10.916 13.661 ( -0.034 -0.407 -3.419) 3.443 13.661 ( -0.034 -0.407 3.419) 3.443 13.816 ( -2.075 1.379 -4.223) 4.903 13.816 ( -2.075 1.379 4.223) 4.903 14.183 ( 6.416 -5.493 -3.144) 9.012 14.183 ( 6.416 -5.493 3.144) 9.012 14.411 ( 2.157 1.290 -4.223) 4.915 14.411 ( 2.157 1.290 4.223) 4.915 14.567 ( 1.408 -2.167 -9.396) 9.745 14.567 ( 1.408 -2.167 9.396) 9.745 14.984 ( -1.081 6.610 -5.773) 8.843 14.984 ( -1.081 6.610 5.773) 8.843 15.367 ( 2.237 1.739 -6.508) 7.098 15.367 ( 2.237 1.739 6.508) 7.098 16.151 ( -11.660 7.087 -8.075) 15.855 16.151 ( -11.660 7.087 8.075) 15.855 16.711 ( 8.019 2.738 -6.903) 10.929 16.711 ( 8.019 2.738 6.903) 10.929 17.229 ( -1.045 -1.435 -8.039) 8.233 17.229 ( -1.045 -1.435 8.039) 8.233 17.755 ( 0.644 -1.412 -10.827) 10.938 17.755 ( 0.644 -1.412 10.827) 10.938 18.075 ( -3.070 0.996 -3.799) 4.985 18.075 ( -3.070 0.996 3.799) 4.985 18.640 ( 1.304 -2.818 -5.904) 6.671 18.640 ( 1.304 -2.818 5.904) 6.671 18.892 ( -1.773 -2.776 -12.169) 12.607 18.892 ( -1.773 -2.776 12.169) 12.607 19.664 ( 12.156 -4.545 -6.420) 14.479 19.664 ( 12.156 -4.545 6.420) 14.479 20.712 ( -10.619 1.468 -12.406) 16.396 20.712 ( -10.619 1.468 12.406) 16.396 ======================= Grid point 189 (66/72) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 8.246 -2.955 -9.204) 12.706 3.177 ( 8.246 -2.955 9.204) 12.706 3.367 ( 2.525 2.491 -7.402) 8.208 3.367 ( 2.525 2.491 7.402) 8.208 3.472 ( 0.845 4.519 -8.778) 9.909 3.472 ( 0.845 4.519 8.778) 9.909 3.597 ( -7.974 2.371 -8.992) 12.250 3.597 ( -7.974 2.371 8.992) 12.250 3.944 ( -0.122 -0.221 -6.916) 6.921 3.944 ( -0.122 -0.221 6.916) 6.921 4.008 ( -4.673 1.524 -8.657) 9.955 4.008 ( -4.673 1.524 8.657) 9.955 4.311 ( 0.961 -1.867 -11.616) 11.804 4.311 ( 0.961 -1.867 11.616) 11.804 4.441 ( -0.253 3.985 -11.959) 12.608 4.441 ( -0.253 3.985 11.959) 12.608 4.622 ( 1.620 -1.370 -6.292) 6.640 4.622 ( 1.620 -1.370 6.292) 6.640 4.710 ( -3.951 -2.663 -8.936) 10.127 4.710 ( -3.951 -2.663 8.936) 10.127 5.473 ( 2.871 2.830 -5.839) 7.096 5.473 ( 2.871 2.830 5.839) 7.096 5.566 ( -1.573 5.864 -4.716) 7.688 5.566 ( -1.573 5.864 4.716) 7.688 6.200 ( 5.441 -2.399 -3.357) 6.829 6.200 ( 5.441 -2.399 3.357) 6.829 6.359 ( -1.772 -0.228 -5.001) 5.310 6.359 ( -1.772 -0.228 5.001) 5.310 6.686 ( 5.024 -3.735 -3.721) 7.283 6.686 ( 5.024 -3.735 3.721) 7.283 6.797 ( 0.628 -2.656 -5.590) 6.221 6.797 ( 0.628 -2.656 5.590) 6.221 6.911 ( -2.543 -2.951 -2.259) 4.503 6.911 ( -2.543 -2.951 2.259) 4.503 7.042 ( -3.747 2.803 -5.408) 7.152 7.042 ( -3.747 2.803 5.408) 7.152 7.568 ( -0.053 -1.470 -4.800) 5.020 7.568 ( -0.053 -1.470 4.800) 5.020 7.620 ( -2.921 -1.669 -2.007) 3.918 7.620 ( -2.921 -1.669 2.007) 3.918 8.002 ( 3.197 -2.307 -2.435) 4.633 8.002 ( 3.197 -2.307 2.435) 4.633 8.062 ( -0.233 -0.027 -5.024) 5.029 8.062 ( -0.233 -0.027 5.024) 5.029 8.377 ( 2.413 -3.131 -8.894) 9.733 8.377 ( 2.413 -3.131 8.894) 9.733 8.482 ( -0.622 0.789 -7.761) 7.826 8.482 ( -0.622 0.789 7.761) 7.826 8.712 ( 1.833 -2.674 -3.577) 4.827 8.712 ( 1.833 -2.674 3.577) 4.827 8.848 ( 3.259 -0.713 -5.746) 6.644 8.848 ( 3.259 -0.713 5.746) 6.644 8.949 ( 0.935 -4.191 -4.822) 6.457 8.949 ( 0.935 -4.191 4.822) 6.457 9.170 ( 2.894 -0.124 -5.241) 5.988 9.170 ( 2.894 -0.124 5.241) 5.988 9.293 ( -3.926 -0.337 -0.785) 4.018 9.293 ( -3.926 -0.337 0.785) 4.018 9.368 ( -8.163 0.757 -4.699) 9.449 9.368 ( -8.163 0.757 4.699) 9.449 9.634 ( 0.498 -3.936 -6.717) 7.801 9.634 ( 0.498 -3.936 6.717) 7.801 9.782 ( -4.811 -0.409 -2.458) 5.418 9.782 ( -4.811 -0.409 2.458) 5.418 10.307 ( 4.951 -3.224 -5.948) 8.384 10.307 ( 4.951 -3.224 5.948) 8.384 10.445 ( -4.533 -1.250 -2.995) 5.575 10.445 ( -4.533 -1.250 2.995) 5.575 10.746 ( 1.010 -2.082 -5.996) 6.427 10.746 ( 1.010 -2.082 5.996) 6.427 10.877 ( 3.892 3.993 -3.716) 6.701 10.877 ( 3.892 3.993 3.716) 6.701 11.078 ( 1.168 11.820 -11.265) 16.370 11.078 ( 1.168 11.820 11.265) 16.370 11.315 ( -2.081 11.415 -5.929) 13.030 11.315 ( -2.081 11.415 5.929) 13.030 11.644 ( -0.986 -4.130 -7.734) 8.822 11.644 ( -0.986 -4.130 7.734) 8.822 11.831 ( 2.594 7.246 -9.714) 12.393 11.831 ( 2.594 7.246 9.714) 12.393 12.272 ( 2.393 -1.288 -4.500) 5.256 12.272 ( 2.393 -1.288 4.500) 5.256 12.355 ( -2.971 -0.068 -5.129) 5.927 12.355 ( -2.971 -0.068 5.129) 5.927 12.915 ( 5.710 -0.319 -12.383) 13.640 12.915 ( 5.710 -0.319 12.383) 13.640 13.084 ( -8.428 -2.497 -13.276) 15.922 13.084 ( -8.428 -2.497 13.276) 15.922 13.689 ( 1.836 -6.525 -7.137) 9.843 13.689 ( 1.836 -6.525 7.137) 9.843 13.785 ( -0.952 -2.482 -7.434) 7.895 13.785 ( -0.952 -2.482 7.434) 7.895 14.313 ( 5.858 -3.653 -4.169) 8.064 14.313 ( 5.858 -3.653 4.169) 8.064 14.418 ( -2.877 -0.013 -3.993) 4.922 14.418 ( -2.877 -0.013 3.993) 4.922 14.593 ( 1.293 -4.237 -6.059) 7.506 14.593 ( 1.293 -4.237 6.059) 7.506 14.964 ( -0.847 10.849 -9.524) 14.461 14.964 ( -0.847 10.849 9.524) 14.461 15.502 ( 10.779 3.188 -12.285) 16.651 15.502 ( 10.779 3.188 12.285) 16.651 15.846 ( -15.375 7.573 -12.237) 21.059 15.846 ( -15.375 7.573 12.237) 21.059 16.924 ( 11.043 1.753 -8.658) 14.141 16.924 ( 11.043 1.753 8.658) 14.141 17.136 ( -7.858 0.476 -10.510) 13.131 17.136 ( -7.858 0.476 10.510) 13.131 17.812 ( 4.227 -3.343 -9.208) 10.669 17.812 ( 4.227 -3.343 9.208) 10.669 17.982 ( -4.939 -0.545 -6.415) 8.115 17.982 ( -4.939 -0.545 6.415) 8.115 18.680 ( 1.933 -4.362 -9.433) 10.571 18.680 ( 1.933 -4.362 9.433) 10.571 18.844 ( -2.124 -1.534 -10.509) 10.831 18.844 ( -2.124 -1.534 10.509) 10.831 19.995 ( 17.649 -1.977 -9.765) 20.267 19.995 ( 17.649 -1.977 9.765) 20.267 20.410 ( -16.764 1.206 -11.222) 20.210 20.410 ( -16.764 1.206 11.222) 20.210 ======================= Grid point 195 (67/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 0.891 -11.311) 11.346 2.846 ( 0.000 0.891 11.311) 11.346 3.351 ( 0.000 1.985 -7.379) 7.641 3.351 ( 0.000 1.985 7.379) 7.641 3.523 ( 0.000 0.153 -8.728) 8.729 3.523 ( 0.000 0.153 8.728) 8.729 3.878 ( 0.000 2.785 -8.658) 9.095 3.878 ( 0.000 2.785 8.658) 9.095 3.998 ( 0.000 -0.331 -0.457) 0.564 3.998 ( 0.000 -0.331 0.457) 0.564 4.165 ( 0.000 0.656 -8.425) 8.450 4.165 ( 0.000 0.656 8.425) 8.450 4.322 ( 0.000 -0.010 -4.221) 4.221 4.322 ( 0.000 -0.010 4.221) 4.221 4.426 ( 0.000 0.289 -2.978) 2.992 4.426 ( 0.000 0.289 2.978) 2.992 4.657 ( 0.000 1.469 -0.178) 1.480 4.657 ( 0.000 1.469 0.178) 1.480 4.799 ( 0.000 0.676 -3.833) 3.892 4.799 ( 0.000 0.676 3.833) 3.892 5.383 ( 0.000 1.918 -2.008) 2.777 5.383 ( 0.000 1.918 2.008) 2.777 5.705 ( 0.000 1.611 -2.541) 3.009 5.705 ( 0.000 1.611 2.541) 3.009 5.987 ( 0.000 0.745 -0.613) 0.965 5.987 ( 0.000 0.745 0.613) 0.965 6.355 ( 0.000 -0.709 -3.748) 3.814 6.355 ( 0.000 -0.709 3.748) 3.814 6.519 ( 0.000 -3.381 -1.251) 3.605 6.519 ( 0.000 -3.381 1.251) 3.605 6.627 ( 0.000 -1.742 -2.851) 3.341 6.627 ( 0.000 -1.742 2.851) 3.341 7.038 ( 0.000 1.722 -2.124) 2.735 7.038 ( 0.000 1.722 2.124) 2.735 7.364 ( 0.000 3.306 -2.200) 3.971 7.364 ( 0.000 3.306 2.200) 3.971 7.469 ( 0.000 -1.558 -0.707) 1.711 7.469 ( 0.000 -1.558 0.707) 1.711 7.665 ( 0.000 -4.608 -2.329) 5.163 7.665 ( 0.000 -4.608 2.329) 5.163 7.818 ( 0.000 0.512 -2.561) 2.612 7.818 ( 0.000 0.512 2.561) 2.612 8.081 ( 0.000 -0.748 -5.653) 5.703 8.081 ( 0.000 -0.748 5.653) 5.703 8.211 ( 0.000 -3.938 -0.333) 3.952 8.211 ( 0.000 -3.938 0.333) 3.952 8.382 ( 0.000 -0.958 -2.426) 2.609 8.382 ( 0.000 -0.958 2.426) 2.609 8.546 ( 0.000 -4.295 -1.416) 4.523 8.546 ( 0.000 -4.295 1.416) 4.523 8.718 ( 0.000 -6.011 -0.640) 6.045 8.718 ( 0.000 -6.011 0.640) 6.045 8.939 ( 0.000 -0.494 -0.574) 0.757 8.939 ( 0.000 -0.494 0.574) 0.757 8.999 ( 0.000 -3.350 -0.942) 3.479 8.999 ( 0.000 -3.350 0.942) 3.479 9.355 ( 0.000 -1.495 -3.882) 4.160 9.355 ( 0.000 -1.495 3.882) 4.160 9.576 ( 0.000 2.720 -2.372) 3.609 9.576 ( 0.000 2.720 2.372) 3.609 9.648 ( 0.000 2.169 -3.551) 4.161 9.648 ( 0.000 2.169 3.551) 4.161 10.108 ( 0.000 -11.554 -1.135) 11.610 10.108 ( 0.000 -11.554 1.135) 11.610 10.368 ( 0.000 3.567 -0.454) 3.596 10.368 ( 0.000 3.567 0.454) 3.596 10.523 ( 0.000 6.248 -3.437) 7.131 10.523 ( 0.000 6.248 3.437) 7.131 10.634 ( 0.000 6.164 -2.064) 6.500 10.634 ( 0.000 6.164 2.064) 6.500 10.760 ( 0.000 2.293 -1.452) 2.715 10.760 ( 0.000 2.293 1.452) 2.715 11.267 ( 0.000 6.046 -7.387) 9.546 11.267 ( 0.000 6.046 7.387) 9.546 11.432 ( 0.000 3.504 -2.233) 4.155 11.432 ( 0.000 3.504 2.233) 4.155 11.590 ( 0.000 0.180 -2.218) 2.225 11.590 ( 0.000 0.180 2.218) 2.225 11.826 ( 0.000 0.946 -0.629) 1.136 11.826 ( 0.000 0.946 0.629) 1.136 12.138 ( 0.000 -0.344 -0.447) 0.564 12.138 ( 0.000 -0.344 0.447) 0.564 12.519 ( 0.000 -0.152 -0.925) 0.937 12.519 ( 0.000 -0.152 0.925) 0.937 12.855 ( 0.000 0.849 -3.949) 4.040 12.855 ( 0.000 0.849 3.949) 4.040 13.030 ( 0.000 -7.652 -3.438) 8.389 13.030 ( 0.000 -7.652 3.438) 8.389 13.739 ( 0.000 -0.310 -3.234) 3.249 13.739 ( 0.000 -0.310 3.234) 3.249 13.778 ( 0.000 -5.329 -0.397) 5.344 13.778 ( 0.000 -5.329 0.397) 5.344 14.194 ( 0.000 8.076 -6.089) 10.115 14.194 ( 0.000 8.076 6.089) 10.115 14.382 ( 0.000 -1.150 -0.494) 1.252 14.382 ( 0.000 -1.150 0.494) 1.252 14.527 ( 0.000 2.358 -6.343) 6.767 14.527 ( 0.000 2.358 6.343) 6.767 14.911 ( 0.000 -7.162 -3.030) 7.777 14.911 ( 0.000 -7.162 3.030) 7.777 15.521 ( 0.000 9.147 -5.035) 10.442 15.521 ( 0.000 9.147 5.035) 10.442 16.408 ( 0.000 4.390 -1.567) 4.661 16.408 ( 0.000 4.390 1.567) 4.661 16.697 ( 0.000 3.705 -4.089) 5.517 16.697 ( 0.000 3.705 4.089) 5.517 17.174 ( 0.000 -2.251 -2.152) 3.114 17.174 ( 0.000 -2.251 2.152) 3.114 17.743 ( 0.000 -1.076 -8.163) 8.234 17.743 ( 0.000 -1.076 8.163) 8.234 18.154 ( 0.000 2.305 -1.187) 2.593 18.154 ( 0.000 2.305 1.187) 2.593 18.588 ( 0.000 -1.026 -6.121) 6.206 18.588 ( 0.000 -1.026 6.121) 6.206 18.840 ( 0.000 -3.897 -4.942) 6.294 18.840 ( 0.000 -3.897 4.942) 6.294 19.382 ( 0.000 -6.502 -0.427) 6.516 19.382 ( 0.000 -6.502 0.427) 6.516 20.859 ( 0.000 1.266 -7.153) 7.264 20.859 ( 0.000 1.266 7.153) 7.264 ======================= Grid point 197 (68/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 8.678 0.402 -10.452) 13.591 2.946 ( 8.678 0.402 10.452) 13.591 3.379 ( 2.448 2.713 -6.494) 7.452 3.379 ( 2.448 2.713 6.494) 7.452 3.518 ( -0.249 -0.097 -10.094) 10.097 3.518 ( -0.249 -0.097 10.094) 10.097 3.805 ( -5.979 3.869 -8.052) 10.750 3.805 ( -5.979 3.869 8.052) 10.750 3.977 ( -1.814 -0.073 -5.058) 5.374 3.977 ( -1.814 -0.073 5.058) 5.374 4.134 ( -3.654 -0.206 -6.452) 7.418 4.134 ( -3.654 -0.206 6.452) 7.418 4.295 ( -2.069 -0.432 -6.482) 6.818 4.295 ( -2.069 -0.432 6.482) 6.818 4.443 ( 1.391 -1.486 -3.012) 3.635 4.443 ( 1.391 -1.486 3.012) 3.635 4.639 ( -1.231 1.758 -5.794) 6.179 4.639 ( -1.231 1.758 5.794) 6.179 4.764 ( -2.424 2.033 -1.906) 3.693 4.764 ( -2.424 2.033 1.906) 3.693 5.445 ( 4.650 2.310 -4.371) 6.788 5.445 ( 4.650 2.310 4.371) 6.788 5.697 ( -0.579 2.645 -5.506) 6.136 5.697 ( -0.579 2.645 5.506) 6.136 6.047 ( 4.931 -0.260 -3.082) 5.821 6.047 ( 4.931 -0.260 3.082) 5.821 6.348 ( -0.856 -1.757 -4.231) 4.661 6.348 ( -0.856 -1.757 4.231) 4.661 6.551 ( 2.568 -2.402 -1.969) 4.030 6.551 ( 2.568 -2.402 1.969) 4.030 6.660 ( 3.571 -2.316 -5.285) 6.786 6.660 ( 3.571 -2.316 5.285) 6.786 6.980 ( -5.695 -0.559 -2.265) 6.154 6.980 ( -5.695 -0.559 2.265) 6.154 7.249 ( -6.598 5.829 -5.029) 10.139 7.249 ( -6.598 5.829 5.029) 10.139 7.512 ( 0.806 -4.378 -2.733) 5.223 7.512 ( 0.806 -4.378 2.733) 5.223 7.623 ( -2.853 -3.132 -4.310) 6.044 7.623 ( -2.853 -3.132 4.310) 6.044 7.869 ( 3.879 -1.258 -1.427) 4.320 7.869 ( 3.879 -1.258 1.427) 4.320 8.075 ( -0.401 0.024 -4.911) 4.927 8.075 ( -0.401 0.024 4.911) 4.927 8.240 ( 2.931 -3.516 -3.057) 5.505 8.240 ( 2.931 -3.516 3.057) 5.505 8.445 ( 4.125 -0.763 -3.465) 5.441 8.445 ( 4.125 -0.763 3.465) 5.441 8.594 ( 4.207 -3.669 -4.583) 7.222 8.594 ( 4.207 -3.669 4.583) 7.222 8.718 ( 0.102 -4.220 -2.510) 4.911 8.718 ( 0.102 -4.220 2.510) 4.911 8.921 ( -0.941 -1.726 -1.234) 2.321 8.921 ( -0.941 -1.726 1.234) 2.321 9.037 ( 3.260 -2.173 -2.024) 4.410 9.037 ( 3.260 -2.173 2.024) 4.410 9.350 ( -0.951 -1.407 -3.163) 3.590 9.350 ( -0.951 -1.407 3.163) 3.590 9.524 ( -4.312 0.612 -2.429) 4.986 9.524 ( -4.312 0.612 2.429) 4.986 9.641 ( -2.770 2.360 -2.538) 4.437 9.641 ( -2.770 2.360 2.538) 4.437 9.932 ( -10.030 -4.116 -5.397) 12.111 9.932 ( -10.030 -4.116 5.397) 12.111 10.284 ( -6.160 2.600 -1.504) 6.853 10.284 ( -6.160 2.600 1.504) 6.853 10.494 ( 1.383 -0.186 -4.035) 4.269 10.494 ( 1.383 -0.186 4.035) 4.269 10.739 ( 1.844 1.528 -1.380) 2.764 10.739 ( 1.844 1.528 1.380) 2.764 10.862 ( 6.931 6.819 -4.149) 10.571 10.862 ( 6.931 6.819 4.149) 10.571 11.233 ( -1.182 5.269 -8.187) 9.808 11.233 ( -1.182 5.269 8.187) 9.808 11.472 ( 3.993 5.774 -4.440) 8.306 11.472 ( 3.993 5.774 4.440) 8.306 11.620 ( 0.090 -0.944 -1.860) 2.088 11.620 ( 0.090 -0.944 1.860) 2.088 11.829 ( 1.837 0.777 -4.686) 5.093 11.829 ( 1.837 0.777 4.686) 5.093 12.177 ( 3.386 -1.012 -1.947) 4.035 12.177 ( 3.386 -1.012 1.947) 4.035 12.483 ( -2.488 3.539 -4.164) 6.005 12.483 ( -2.488 3.539 4.164) 6.005 12.873 ( 1.359 0.924 -5.987) 6.209 12.873 ( 1.359 0.924 5.987) 6.209 13.044 ( 0.454 -7.842 -6.261) 10.045 13.044 ( 0.454 -7.842 6.261) 10.045 13.672 ( -6.180 -0.284 -4.475) 7.635 13.672 ( -6.180 -0.284 4.475) 7.635 13.778 ( -2.592 -3.004 -4.478) 5.983 13.778 ( -2.592 -3.004 4.478) 5.983 14.098 ( 0.335 -3.169 -1.890) 3.705 14.098 ( 0.335 -3.169 1.890) 3.705 14.408 ( 1.883 -0.265 -2.040) 2.789 14.408 ( 1.883 -0.265 2.040) 2.789 14.594 ( 0.334 2.970 -3.831) 4.859 14.594 ( 0.334 2.970 3.831) 4.859 15.037 ( 10.674 0.056 -5.945) 12.218 15.037 ( 10.674 0.056 5.945) 12.218 15.478 ( -2.133 7.018 -5.781) 9.339 15.478 ( -2.133 7.018 5.781) 9.339 16.283 ( -10.895 4.872 -8.222) 14.493 16.283 ( -10.895 4.872 8.222) 14.493 16.782 ( 7.241 3.646 -6.347) 10.296 16.782 ( 7.241 3.646 6.347) 10.296 17.193 ( 0.659 -1.826 -5.050) 5.410 17.193 ( 0.659 -1.826 5.050) 5.410 17.725 ( -0.908 -1.429 -10.473) 10.609 17.725 ( -0.908 -1.429 10.473) 10.609 18.092 ( -5.420 0.730 -3.148) 6.310 18.092 ( -5.420 0.730 3.148) 6.310 18.593 ( 0.519 -1.284 -6.343) 6.493 18.593 ( 0.519 -1.284 6.343) 6.493 18.809 ( -1.971 -4.815 -6.138) 8.046 18.809 ( -1.971 -4.815 6.138) 8.046 19.569 ( 15.723 -3.892 -5.577) 17.131 19.569 ( 15.723 -3.892 5.577) 17.131 20.741 ( -10.855 1.172 -7.048) 12.995 20.741 ( -10.855 1.172 7.048) 12.995 ======================= Grid point 199 (69/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 7.787 -0.496 -8.571) 11.591 3.145 ( 7.787 -0.496 8.571) 11.591 3.412 ( -0.778 1.805 -5.134) 5.497 3.412 ( -0.778 1.805 5.134) 5.497 3.543 ( 3.733 1.636 -12.566) 13.210 3.543 ( 3.733 1.636 12.566) 13.210 3.671 ( -5.781 5.212 -9.046) 11.934 3.671 ( -5.781 5.212 9.046) 11.934 3.943 ( -0.722 0.157 -5.796) 5.842 3.943 ( -0.722 0.157 5.796) 5.842 4.016 ( -5.477 -0.590 -6.657) 8.640 4.016 ( -5.477 -0.590 6.657) 8.640 4.269 ( -0.416 -3.082 -7.650) 8.258 4.269 ( -0.416 -3.082 7.650) 8.258 4.460 ( 0.167 -2.017 -7.024) 7.309 4.460 ( 0.167 -2.017 7.024) 7.309 4.633 ( 0.616 -0.010 -7.879) 7.903 4.633 ( 0.616 -0.010 7.879) 7.903 4.718 ( -1.660 5.978 -5.333) 8.181 4.718 ( -1.660 5.978 5.333) 8.181 5.533 ( 2.868 2.201 -8.397) 9.142 5.533 ( 2.868 2.201 8.397) 9.142 5.683 ( -0.635 4.947 -5.891) 7.719 5.683 ( -0.635 4.947 5.891) 7.719 6.158 ( 4.547 -1.448 -3.276) 5.788 6.158 ( 4.547 -1.448 3.276) 5.788 6.310 ( -2.472 -4.210 -6.490) 8.121 6.310 ( -2.472 -4.210 6.490) 8.121 6.620 ( 4.162 -1.964 -3.558) 5.817 6.620 ( 4.162 -1.964 3.558) 5.817 6.745 ( 0.150 -1.489 -7.210) 7.364 6.745 ( 0.150 -1.489 7.210) 7.364 6.860 ( -1.154 -2.297 -2.721) 3.744 6.860 ( -1.154 -2.297 2.721) 3.744 7.108 ( -6.303 3.669 -5.147) 8.926 7.108 ( -6.303 3.669 5.147) 8.926 7.508 ( -0.107 -4.379 -5.759) 7.235 7.508 ( -0.107 -4.379 5.759) 7.235 7.588 ( -0.828 -1.148 -3.024) 3.339 7.588 ( -0.828 -1.148 3.024) 3.339 7.942 ( 2.529 -2.790 -0.538) 3.804 7.942 ( 2.529 -2.790 0.538) 3.804 8.063 ( -0.795 0.049 -3.296) 3.391 8.063 ( -0.795 0.049 3.296) 3.391 8.320 ( 3.717 -2.289 -7.945) 9.065 8.320 ( 3.717 -2.289 7.945) 9.065 8.471 ( -1.664 -1.648 -4.748) 5.294 8.471 ( -1.664 -1.648 4.748) 5.294 8.676 ( 2.499 -0.960 -2.198) 3.464 8.676 ( 2.499 -0.960 2.198) 3.464 8.768 ( 3.296 -4.294 -5.480) 7.703 8.768 ( 3.296 -4.294 5.480) 7.703 8.925 ( 2.446 0.124 -2.968) 3.848 8.925 ( 2.446 0.124 2.968) 3.848 9.114 ( 2.732 -3.758 -2.792) 5.421 9.114 ( 2.732 -3.758 2.792) 5.421 9.286 ( -4.425 -0.480 -0.987) 4.559 9.286 ( -4.425 -0.480 0.987) 4.559 9.377 ( -8.367 0.567 -3.206) 8.978 9.377 ( -8.367 0.567 3.206) 8.978 9.597 ( 2.666 -0.584 -5.346) 6.002 9.597 ( 2.666 -0.584 5.346) 6.002 9.769 ( -6.853 -0.594 -2.888) 7.461 9.769 ( -6.853 -0.594 2.888) 7.461 10.288 ( 6.635 1.178 -3.036) 7.391 10.288 ( 6.635 1.178 3.036) 7.391 10.469 ( -5.847 2.948 -5.457) 8.524 10.469 ( -5.847 2.948 5.457) 8.524 10.727 ( -1.075 0.184 -5.205) 5.317 10.727 ( -1.075 0.184 5.205) 5.317 10.931 ( 1.815 0.436 -3.190) 3.696 10.931 ( 1.815 0.436 3.190) 3.696 11.309 ( 4.763 8.615 -12.046) 15.557 11.309 ( 4.763 8.615 12.046) 15.557 11.494 ( -1.764 6.440 -7.246) 9.854 11.494 ( -1.764 6.440 7.246) 9.854 11.564 ( -2.927 -2.549 -6.179) 7.297 11.564 ( -2.927 -2.549 6.179) 7.297 11.931 ( 4.687 -0.170 -8.569) 9.769 11.931 ( 4.687 -0.170 8.569) 9.769 12.284 ( 7.092 2.458 -1.547) 7.664 12.284 ( 7.092 2.458 1.547) 7.664 12.423 ( -4.298 7.865 -5.041) 10.283 12.423 ( -4.298 7.865 5.041) 10.283 12.897 ( 0.486 -1.810 -8.768) 8.966 12.897 ( 0.486 -1.810 8.768) 8.966 13.004 ( -3.322 -4.908 -12.338) 13.688 13.004 ( -3.322 -4.908 12.338) 13.688 13.551 ( -2.741 -5.921 -8.683) 10.861 13.551 ( -2.741 -5.921 8.683) 10.861 13.716 ( -1.999 -3.362 -8.504) 9.360 13.716 ( -1.999 -3.362 8.504) 9.360 14.225 ( 8.129 -4.627 -3.407) 9.955 14.225 ( 8.129 -4.627 3.407) 9.955 14.405 ( -3.761 -0.483 -5.139) 6.386 14.405 ( -3.761 -0.483 5.139) 6.386 14.567 ( -0.501 0.660 -5.390) 5.453 14.567 ( -0.501 0.660 5.390) 5.453 15.160 ( -0.180 7.483 -7.501) 10.597 15.160 ( -0.180 7.483 7.501) 10.597 15.588 ( 12.638 4.374 -11.043) 17.344 15.588 ( 12.638 4.374 11.043) 17.344 15.994 ( -14.758 5.854 -11.975) 19.887 15.994 ( -14.758 5.854 11.975) 19.887 16.967 ( 9.498 2.105 -7.896) 12.530 16.967 ( 9.498 2.105 7.896) 12.530 17.143 ( -5.992 0.092 -7.940) 9.947 17.143 ( -5.992 0.092 7.940) 9.947 17.753 ( 3.577 -2.083 -10.916) 11.674 17.753 ( 3.577 -2.083 10.916) 11.674 17.954 ( -6.448 -1.711 -6.602) 9.386 17.954 ( -6.448 -1.711 6.602) 9.386 18.611 ( 0.860 -2.146 -6.588) 6.982 18.611 ( 0.860 -2.146 6.588) 6.982 18.775 ( -1.057 -4.405 -6.264) 7.731 18.775 ( -1.057 -4.405 6.264) 7.731 19.961 ( 19.191 -1.188 -6.709) 20.364 19.961 ( 19.191 -1.188 6.709) 20.364 20.431 ( -16.995 0.786 -6.979) 18.389 20.431 ( -16.995 0.786 6.979) 18.389 ======================= Grid point 205 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 -0.000 0.000) 0.000 3.918 ( 0.000 -0.000 -0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 -0.000 -0.000) 0.000 4.131 ( 0.000 0.000 -0.000) 0.000 4.311 ( 0.000 0.000 -0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 -0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 -0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.447 ( 0.000 0.000 0.000) 0.000 7.447 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 -0.000 0.000) 0.000 7.605 ( 0.000 -0.000 0.000) 0.000 7.837 ( 0.000 0.000 0.000) 0.000 7.837 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 -0.000) 0.000 8.167 ( 0.000 -0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 -0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.397 ( 0.000 0.000 0.000) 0.000 10.397 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 -0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 -0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 11.459 ( 0.000 0.000 0.000) 0.000 11.459 ( 0.000 0.000 0.000) 0.000 11.597 ( 0.000 0.000 0.000) 0.000 11.597 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.837 ( 0.000 -0.000 0.000) 0.000 12.837 ( 0.000 -0.000 0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 13.663 ( 0.000 0.000 0.000) 0.000 13.663 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.365 ( 0.000 0.000 0.000) 0.000 14.365 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 16.452 ( 0.000 0.000 0.000) 0.000 16.452 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 17.150 ( 0.000 0.000 -0.000) 0.000 17.150 ( 0.000 0.000 0.000) 0.000 17.728 ( 0.000 0.000 0.000) 0.000 17.728 ( 0.000 0.000 0.000) 0.000 18.182 ( 0.000 0.000 0.000) 0.000 18.182 ( 0.000 0.000 0.000) 0.000 18.583 ( 0.000 0.000 0.000) 0.000 18.583 ( 0.000 0.000 0.000) 0.000 18.789 ( 0.000 -0.000 0.000) 0.000 18.789 ( 0.000 0.000 0.000) 0.000 19.309 ( 0.000 0.000 0.000) 0.000 19.309 ( 0.000 0.000 0.000) 0.000 20.873 ( 0.000 -0.000 0.000) 0.000 20.873 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 209 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 8.168 0.000 -2.139) 8.443 2.954 ( 8.168 0.000 2.139) 8.443 3.401 ( 3.631 0.000 -1.652) 3.989 3.401 ( 3.631 0.000 1.652) 3.989 3.522 ( -1.411 0.000 -0.588) 1.529 3.522 ( -1.411 0.000 0.588) 1.529 3.867 ( -4.535 -0.000 -3.115) 5.501 3.867 ( -4.535 0.000 3.115) 5.501 3.979 ( -1.773 0.000 -1.733) 2.479 3.979 ( -1.773 0.000 1.733) 2.479 4.103 ( -2.870 0.000 -3.814) 4.773 4.103 ( -2.870 0.000 3.814) 4.773 4.277 ( -3.691 0.000 -5.466) 6.595 4.277 ( -3.691 0.000 5.466) 6.595 4.430 ( -0.576 0.000 -0.148) 0.595 4.430 ( -0.576 0.000 0.148) 0.595 4.659 ( -1.120 0.000 -1.352) 1.756 4.659 ( -1.120 0.000 1.352) 1.756 4.810 ( -0.770 0.000 -2.468) 2.586 4.810 ( -0.770 0.000 2.468) 2.586 5.469 ( 4.768 0.000 -5.570) 7.332 5.469 ( 4.768 0.000 5.570) 7.332 5.718 ( 0.868 0.000 -4.983) 5.058 5.718 ( 0.868 0.000 4.983) 5.058 6.045 ( 3.789 0.000 -2.333) 4.450 6.045 ( 3.789 0.000 2.333) 4.450 6.325 ( -2.126 0.000 -1.044) 2.369 6.325 ( -2.126 0.000 1.044) 2.369 6.528 ( 3.331 0.000 -0.702) 3.404 6.528 ( 3.331 0.000 0.702) 3.404 6.634 ( 3.484 0.000 -4.779) 5.914 6.634 ( 3.484 0.000 4.779) 5.914 6.973 ( -7.136 0.000 -1.309) 7.255 6.973 ( -7.136 0.000 1.309) 7.255 7.361 ( -7.243 0.000 -3.816) 8.187 7.361 ( -7.243 0.000 3.816) 8.187 7.414 ( -0.366 -0.000 -2.846) 2.870 7.414 ( -0.366 0.000 2.846) 2.870 7.591 ( -0.430 0.000 -3.385) 3.412 7.591 ( -0.430 0.000 3.385) 3.412 7.857 ( 1.948 0.000 -3.739) 4.216 7.857 ( 1.948 0.000 3.739) 4.216 8.073 ( 0.440 0.000 -1.544) 1.605 8.073 ( 0.440 0.000 1.544) 1.605 8.198 ( 3.361 -0.000 -2.299) 4.072 8.198 ( 3.361 0.000 2.299) 4.072 8.433 ( 3.955 0.000 -1.890) 4.383 8.433 ( 3.955 0.000 1.890) 4.383 8.553 ( 4.798 0.000 -4.240) 6.403 8.553 ( 4.798 0.000 4.240) 6.403 8.667 ( 1.786 0.000 -1.620) 2.411 8.667 ( 1.786 0.000 1.620) 2.411 8.900 ( -0.583 0.000 -0.356) 0.683 8.900 ( -0.583 0.000 0.356) 0.683 9.020 ( 2.881 0.000 -0.949) 3.033 9.020 ( 2.881 0.000 0.949) 3.033 9.339 ( -0.778 0.000 -0.576) 0.968 9.339 ( -0.778 0.000 0.576) 0.968 9.533 ( -6.025 0.000 -0.773) 6.074 9.533 ( -6.025 0.000 0.773) 6.074 9.679 ( -5.180 0.000 -2.091) 5.586 9.679 ( -5.180 0.000 2.091) 5.586 9.873 ( -3.902 0.000 -3.204) 5.049 9.873 ( -3.902 -0.000 3.204) 5.049 10.322 ( -8.038 0.000 -0.351) 8.046 10.322 ( -8.038 0.000 0.351) 8.046 10.488 ( 1.016 0.000 -0.354) 1.075 10.488 ( 1.016 0.000 0.354) 1.075 10.748 ( 2.297 0.000 -1.044) 2.523 10.748 ( 2.297 0.000 1.044) 2.523 10.946 ( 4.417 0.000 -4.729) 6.471 10.946 ( 4.417 0.000 4.729) 6.471 11.291 ( -0.825 0.000 -8.240) 8.281 11.291 ( -0.825 0.000 8.240) 8.281 11.548 ( 6.731 0.000 -0.433) 6.745 11.548 ( 6.731 0.000 0.433) 6.745 11.597 ( -1.835 0.000 -1.938) 2.669 11.597 ( -1.835 0.000 1.938) 2.669 11.827 ( 0.379 0.000 -0.738) 0.830 11.827 ( 0.379 0.000 0.738) 0.830 12.170 ( 3.439 0.000 -1.299) 3.677 12.170 ( 3.439 0.000 1.299) 3.677 12.542 ( 2.537 0.000 -0.316) 2.556 12.542 ( 2.537 0.000 0.316) 2.556 12.846 ( 0.760 -0.000 -5.786) 5.836 12.846 ( 0.760 0.000 5.786) 5.836 12.986 ( -0.342 0.000 -3.101) 3.120 12.986 ( -0.342 0.000 3.101) 3.120 13.647 ( -4.564 0.000 -3.620) 5.826 13.647 ( -4.564 0.000 3.620) 5.826 13.756 ( -3.866 0.000 -1.374) 4.103 13.756 ( -3.866 0.000 1.374) 4.103 14.061 ( -4.287 0.000 -1.327) 4.488 14.061 ( -4.287 0.000 1.327) 4.488 14.408 ( 1.983 0.000 -1.213) 2.325 14.408 ( 1.983 0.000 1.213) 2.325 14.631 ( -2.067 0.000 -0.996) 2.295 14.631 ( -2.067 0.000 0.996) 2.295 15.035 ( 17.116 0.000 -7.220) 18.576 15.035 ( 17.116 0.000 7.220) 18.576 15.562 ( -4.129 0.000 -4.992) 6.479 15.562 ( -4.129 0.000 4.992) 6.479 16.333 ( -10.203 0.000 -8.386) 13.207 16.333 ( -10.203 0.000 8.386) 13.207 16.827 ( 6.823 0.000 -4.578) 8.216 16.827 ( 6.823 0.000 4.578) 8.216 17.171 ( 1.176 0.000 -0.464) 1.265 17.171 ( 1.176 0.000 0.464) 1.265 17.707 ( -1.160 0.000 -8.558) 8.636 17.707 ( -1.160 0.000 8.558) 8.636 18.102 ( -6.816 0.000 -4.480) 8.157 18.102 ( -6.816 0.000 4.480) 8.157 18.585 ( 0.051 0.000 -2.985) 2.986 18.585 ( 0.051 0.000 2.985) 2.986 18.746 ( -2.163 0.000 -1.574) 2.675 18.746 ( -2.163 0.000 1.574) 2.675 19.527 ( 17.603 0.000 -3.909) 18.032 19.527 ( 17.603 0.000 3.909) 18.032 20.754 ( -10.968 0.000 -1.928) 11.136 20.754 ( -10.968 0.000 1.928) 11.136 ======================= Grid point 213 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 7.411 0.000 -6.664) 9.966 3.142 ( 7.411 0.000 6.664) 9.966 3.431 ( -2.711 -0.000 -2.559) 3.728 3.431 ( -2.711 0.000 2.559) 3.728 3.553 ( 5.963 0.000 -12.430) 13.786 3.553 ( 5.963 0.000 12.430) 13.786 3.753 ( -5.224 -0.000 -9.230) 10.606 3.753 ( -5.224 0.000 9.230) 10.606 3.941 ( -2.320 0.000 -0.299) 2.339 3.941 ( -2.320 0.000 0.299) 2.339 4.007 ( -3.812 0.000 -7.314) 8.247 4.007 ( -3.812 0.000 7.314) 8.247 4.216 ( -1.277 0.000 -4.021) 4.219 4.216 ( -1.277 -0.000 4.021) 4.219 4.432 ( 0.169 0.000 -4.402) 4.405 4.432 ( 0.169 0.000 4.402) 4.405 4.635 ( -0.684 0.000 -8.394) 8.422 4.635 ( -0.684 0.000 8.394) 8.422 4.806 ( 0.004 0.000 -3.061) 3.061 4.806 ( 0.004 0.000 3.061) 3.061 5.553 ( 2.449 0.000 -9.937) 10.234 5.553 ( 2.449 0.000 9.937) 10.234 5.741 ( 0.811 0.000 -6.624) 6.673 5.741 ( 0.811 0.000 6.624) 6.673 6.140 ( 4.815 0.000 -2.501) 5.425 6.140 ( 4.815 0.000 2.501) 5.425 6.254 ( -4.387 0.000 -2.752) 5.178 6.254 ( -4.387 0.000 2.752) 5.178 6.603 ( 4.060 0.000 -2.166) 4.602 6.603 ( 4.060 0.000 2.166) 4.602 6.739 ( 1.407 0.000 -6.541) 6.690 6.739 ( 1.407 0.000 6.541) 6.690 6.828 ( -1.867 0.000 -1.114) 2.174 6.828 ( -1.867 0.000 1.114) 2.174 7.160 ( -8.750 0.000 -3.991) 9.617 7.160 ( -8.750 0.000 3.991) 9.617 7.444 ( 1.848 0.000 -1.294) 2.256 7.444 ( 1.848 0.000 1.294) 2.256 7.575 ( -1.145 0.000 -5.013) 5.142 7.575 ( -1.145 0.000 5.013) 5.142 7.912 ( 2.596 0.000 -0.481) 2.640 7.912 ( 2.596 0.000 0.481) 2.640 8.063 ( -1.157 0.000 -1.209) 1.673 8.063 ( -1.157 0.000 1.209) 1.673 8.294 ( 4.600 0.000 -6.440) 7.914 8.294 ( 4.600 0.000 6.440) 7.914 8.446 ( -2.306 0.000 -2.391) 3.322 8.446 ( -2.306 0.000 2.391) 3.322 8.668 ( 3.281 0.000 -1.185) 3.488 8.668 ( 3.281 0.000 1.185) 3.488 8.724 ( 3.432 0.000 -4.005) 5.275 8.724 ( 3.432 0.000 4.005) 5.275 8.925 ( 3.787 0.000 -1.661) 4.136 8.925 ( 3.787 0.000 1.661) 4.136 9.072 ( 0.811 0.000 -2.922) 3.032 9.072 ( 0.811 0.000 2.922) 3.032 9.281 ( -4.293 0.000 -0.089) 4.294 9.281 ( -4.293 0.000 0.089) 4.294 9.384 ( -7.598 0.000 -2.700) 8.063 9.384 ( -7.598 0.000 2.700) 8.063 9.591 ( 2.419 0.000 -0.721) 2.524 9.591 ( 2.419 0.000 0.721) 2.524 9.762 ( -7.541 0.000 -1.584) 7.705 9.762 ( -7.541 0.000 1.584) 7.705 10.314 ( 6.868 0.000 -1.628) 7.058 10.314 ( 6.868 0.000 1.628) 7.058 10.506 ( -2.692 0.000 -4.553) 5.289 10.506 ( -2.692 0.000 4.553) 5.289 10.735 ( -2.688 0.000 -0.114) 2.691 10.735 ( -2.688 0.000 0.114) 2.691 10.925 ( -0.609 -0.000 -3.456) 3.509 10.925 ( -0.609 0.000 3.456) 3.509 11.391 ( 2.857 0.000 -5.215) 5.946 11.391 ( 2.857 0.000 5.215) 5.946 11.518 ( 0.467 0.000 -2.082) 2.134 11.518 ( 0.467 0.000 2.082) 2.134 11.601 ( -2.917 0.000 -3.214) 4.340 11.601 ( -2.917 0.000 3.214) 4.340 11.897 ( 3.673 0.000 -5.696) 6.778 11.897 ( 3.673 0.000 5.696) 6.778 12.317 ( 10.387 0.000 -1.159) 10.451 12.317 ( 10.387 0.000 1.159) 10.451 12.559 ( -3.383 0.000 -3.092) 4.583 12.559 ( -3.383 0.000 3.092) 4.583 12.850 ( -1.097 0.000 -12.702) 12.749 12.850 ( -1.097 0.000 12.702) 12.749 12.944 ( -2.141 0.000 -10.560) 10.775 12.944 ( -2.141 -0.000 10.560) 10.775 13.485 ( -5.481 0.000 -8.853) 10.412 13.485 ( -5.481 0.000 8.853) 10.412 13.678 ( -1.995 0.000 -3.580) 4.099 13.678 ( -1.995 -0.000 3.580) 4.099 14.169 ( 8.361 0.000 -1.557) 8.505 14.169 ( 8.361 0.000 1.557) 8.505 14.402 ( -3.797 0.000 -5.259) 6.487 14.402 ( -3.797 0.000 5.259) 6.487 14.579 ( -0.789 0.000 -3.708) 3.791 14.579 ( -0.789 0.000 3.708) 3.791 15.240 ( 0.411 0.000 -5.769) 5.783 15.240 ( 0.411 0.000 5.769) 5.783 15.640 ( 13.031 0.000 -10.318) 16.622 15.640 ( 13.031 0.000 10.318) 16.622 16.057 ( -14.490 0.000 -11.716) 18.634 16.057 ( -14.490 0.000 11.716) 18.634 16.991 ( 8.134 0.000 -6.773) 10.585 16.991 ( 8.134 0.000 6.773) 10.585 17.143 ( -4.624 0.000 -0.665) 4.671 17.143 ( -4.624 0.000 0.665) 4.671 17.732 ( 3.910 0.000 -11.252) 11.912 17.732 ( 3.910 0.000 11.252) 11.912 17.934 ( -7.728 0.000 -6.742) 10.255 17.934 ( -7.728 0.000 6.742) 10.255 18.590 ( 0.428 0.000 -2.800) 2.833 18.590 ( 0.428 0.000 2.800) 2.833 18.719 ( -0.660 0.000 -1.373) 1.523 18.719 ( -0.660 0.000 1.373) 1.523 19.949 ( 20.093 0.000 -4.150) 20.517 19.949 ( 20.093 0.000 4.150) 20.517 20.439 ( -17.282 0.000 -3.600) 17.653 20.439 ( -17.282 0.000 3.600) 17.653 =================== 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 3/36000 10.0 3132.213 3656.533 3476.470 0.000 0.000 0.000 3/36000 20.0 532.794 632.865 715.369 0.000 0.000 0.000 3/36000 30.0 141.091 168.825 217.835 0.000 0.000 0.000 3/36000 40.0 57.382 70.162 94.460 0.000 0.000 0.000 3/36000 50.0 29.645 36.921 50.512 0.000 0.000 0.000 3/36000 60.0 17.816 22.516 31.111 0.000 0.000 0.000 3/36000 70.0 11.890 15.193 21.168 0.000 0.000 0.000 3/36000 80.0 8.565 11.031 15.486 0.000 0.000 0.000 3/36000 90.0 6.533 8.459 11.960 0.000 0.000 0.000 3/36000 100.0 5.208 6.765 9.627 0.000 0.000 0.000 3/36000 110.0 4.296 5.590 8.003 0.000 0.000 0.000 3/36000 120.0 3.641 4.740 6.825 0.000 0.000 0.000 3/36000 130.0 3.154 4.104 5.940 0.000 0.000 0.000 3/36000 140.0 2.780 3.614 5.256 0.000 0.000 0.000 3/36000 150.0 2.487 3.227 4.715 0.000 0.000 0.000 3/36000 160.0 2.252 2.915 4.277 0.000 0.000 0.000 3/36000 170.0 2.059 2.659 3.917 0.000 0.000 0.000 3/36000 180.0 1.899 2.445 3.615 0.000 0.000 0.000 3/36000 190.0 1.764 2.264 3.359 0.000 0.000 0.000 3/36000 200.0 1.649 2.110 3.139 0.000 0.000 0.000 3/36000 210.0 1.549 1.976 2.949 0.000 0.000 0.000 3/36000 220.0 1.463 1.859 2.782 0.000 0.000 0.000 3/36000 230.0 1.386 1.756 2.634 0.000 0.000 0.000 3/36000 240.0 1.318 1.665 2.502 0.000 0.000 0.000 3/36000 250.0 1.257 1.583 2.384 0.000 0.000 0.000 3/36000 260.0 1.203 1.510 2.278 0.000 0.000 0.000 3/36000 270.0 1.153 1.443 2.181 0.000 0.000 0.000 3/36000 280.0 1.108 1.383 2.093 0.000 0.000 0.000 3/36000 290.0 1.066 1.327 2.012 0.000 0.000 0.000 3/36000 300.0 1.028 1.277 1.938 0.000 0.000 0.000 3/36000 310.0 0.993 1.230 1.869 0.000 0.000 0.000 3/36000 320.0 0.960 1.187 1.805 0.000 0.000 0.000 3/36000 330.0 0.930 1.146 1.746 0.000 0.000 0.000 3/36000 340.0 0.902 1.109 1.691 0.000 0.000 0.000 3/36000 350.0 0.875 1.074 1.639 0.000 0.000 0.000 3/36000 360.0 0.850 1.042 1.591 0.000 0.000 0.000 3/36000 370.0 0.827 1.011 1.545 0.000 0.000 0.000 3/36000 380.0 0.805 0.982 1.502 0.000 0.000 0.000 3/36000 390.0 0.784 0.955 1.462 0.000 0.000 0.000 3/36000 400.0 0.764 0.930 1.424 0.000 0.000 0.000 3/36000 410.0 0.745 0.905 1.388 0.000 0.000 0.000 3/36000 420.0 0.727 0.883 1.353 0.000 0.000 0.000 3/36000 430.0 0.710 0.861 1.321 0.000 0.000 0.000 3/36000 440.0 0.694 0.840 1.290 0.000 0.000 0.000 3/36000 450.0 0.679 0.821 1.260 0.000 0.000 0.000 3/36000 460.0 0.664 0.802 1.232 0.000 0.000 0.000 3/36000 470.0 0.650 0.784 1.205 0.000 0.000 0.000 3/36000 480.0 0.637 0.767 1.179 0.000 0.000 0.000 3/36000 490.0 0.624 0.751 1.154 0.000 0.000 0.000 3/36000 500.0 0.611 0.735 1.131 0.000 0.000 0.000 3/36000 510.0 0.600 0.720 1.108 0.000 0.000 0.000 3/36000 520.0 0.588 0.706 1.086 0.000 0.000 0.000 3/36000 530.0 0.577 0.692 1.066 0.000 0.000 0.000 3/36000 540.0 0.567 0.679 1.045 0.000 0.000 0.000 3/36000 550.0 0.556 0.666 1.026 0.000 0.000 0.000 3/36000 560.0 0.547 0.654 1.008 0.000 0.000 0.000 3/36000 570.0 0.537 0.642 0.990 0.000 0.000 0.000 3/36000 580.0 0.528 0.631 0.972 0.000 0.000 0.000 3/36000 590.0 0.519 0.620 0.956 0.000 0.000 0.000 3/36000 600.0 0.511 0.609 0.939 0.000 0.000 0.000 3/36000 610.0 0.502 0.599 0.924 0.000 0.000 0.000 3/36000 620.0 0.494 0.589 0.909 0.000 0.000 0.000 3/36000 630.0 0.487 0.579 0.894 0.000 0.000 0.000 3/36000 640.0 0.479 0.570 0.880 0.000 0.000 0.000 3/36000 650.0 0.472 0.561 0.866 0.000 0.000 0.000 3/36000 660.0 0.465 0.553 0.853 0.000 0.000 0.000 3/36000 670.0 0.458 0.544 0.840 0.000 0.000 0.000 3/36000 680.0 0.451 0.536 0.828 0.000 0.000 0.000 3/36000 690.0 0.445 0.528 0.816 0.000 0.000 0.000 3/36000 700.0 0.439 0.520 0.804 0.000 0.000 0.000 3/36000 710.0 0.432 0.513 0.793 0.000 0.000 0.000 3/36000 720.0 0.426 0.506 0.782 0.000 0.000 0.000 3/36000 730.0 0.421 0.499 0.771 0.000 0.000 0.000 3/36000 740.0 0.415 0.492 0.760 0.000 0.000 0.000 3/36000 750.0 0.410 0.485 0.750 0.000 0.000 0.000 3/36000 760.0 0.404 0.479 0.740 0.000 0.000 0.000 3/36000 770.0 0.399 0.473 0.730 0.000 0.000 0.000 3/36000 780.0 0.394 0.466 0.721 0.000 0.000 0.000 3/36000 790.0 0.389 0.460 0.712 0.000 0.000 0.000 3/36000 800.0 0.384 0.455 0.703 0.000 0.000 0.000 3/36000 810.0 0.380 0.449 0.694 0.000 0.000 0.000 3/36000 820.0 0.375 0.443 0.686 0.000 0.000 0.000 3/36000 830.0 0.371 0.438 0.677 0.000 0.000 0.000 3/36000 840.0 0.366 0.433 0.669 0.000 0.000 0.000 3/36000 850.0 0.362 0.428 0.661 0.000 0.000 0.000 3/36000 860.0 0.358 0.423 0.654 0.000 0.000 0.000 3/36000 870.0 0.354 0.418 0.646 0.000 0.000 0.000 3/36000 880.0 0.350 0.413 0.639 0.000 0.000 0.000 3/36000 890.0 0.346 0.408 0.632 0.000 0.000 0.000 3/36000 900.0 0.342 0.404 0.625 0.000 0.000 0.000 3/36000 910.0 0.338 0.399 0.618 0.000 0.000 0.000 3/36000 920.0 0.335 0.395 0.611 0.000 0.000 0.000 3/36000 930.0 0.331 0.390 0.604 0.000 0.000 0.000 3/36000 940.0 0.328 0.386 0.598 0.000 0.000 0.000 3/36000 950.0 0.324 0.382 0.592 0.000 0.000 0.000 3/36000 960.0 0.321 0.378 0.585 0.000 0.000 0.000 3/36000 970.0 0.318 0.374 0.579 0.000 0.000 0.000 3/36000 980.0 0.314 0.370 0.573 0.000 0.000 0.000 3/36000 990.0 0.311 0.367 0.568 0.000 0.000 0.000 3/36000 1000.0 0.308 0.363 0.562 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m5610.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:46:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|