----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:43:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.445363410019022 0.000000000000000 0.000000000000000 b 0.000000000000000 6.226986240000001 0.000000000000000 c -3.877383718262200 0.000000000000000 8.510741515322913 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 2 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 *3 Pb 0.38159105337992 0.08982607034574 0.78947443809875 207.200 4 Pb 0.61840894662008 0.58982607034574 0.71052556190125 207.200 5 Pb 0.61840894662008 0.91017392965426 0.21052556190125 207.200 6 Pb 0.38159105337992 0.41017392965426 0.28947443809875 207.200 *7 As 0.20379099650225 0.98134089476179 0.40213756570962 74.922 8 As 0.79620900349775 0.48134089476179 0.09786243429038 74.922 9 As 0.79620900349775 0.01865910523821 0.59786243429038 74.922 10 As 0.20379099650225 0.51865910523821 0.90213756570962 74.922 *11 O 0.28069584928445 0.76177301048594 0.51834231776732 15.999 12 O 0.71930415071555 0.26177301048594 0.98165768223268 15.999 13 O 0.71930415071555 0.23822698951406 0.48165768223268 15.999 14 O 0.28069584928445 0.73822698951406 0.01834231776732 15.999 *15 O 0.25696223357354 0.29679706656362 0.02266318982053 15.999 16 O 0.74303776642646 0.79679706656362 0.47733681017947 15.999 17 O 0.74303776642646 0.70320293343638 0.97733681017947 15.999 18 O 0.25696223357354 0.20320293343638 0.52266318982053 15.999 *19 O 0.67654117668708 0.97184791860813 0.71764912097158 15.999 20 O 0.32345882331292 0.47184791860813 0.78235087902842 15.999 21 O 0.32345882331292 0.02815208139187 0.28235087902842 15.999 22 O 0.67654117668708 0.52815208139187 0.21764912097158 15.999 *23 O 0.96351750674420 0.96360750377051 0.27694178401594 15.999 24 O 0.03648249325580 0.46360750377051 0.22305821598406 15.999 25 O 0.03648249325580 0.03639249622949 0.72305821598406 15.999 26 O 0.96351750674420 0.53639249622949 0.77694178401594 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.445363410019022 0.000000000000000 0.000000000000000 b 0.000000000000000 6.226986240000001 0.000000000000000 c -3.877383718262200 0.000000000000000 8.510741515322913 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 2 *3 Pb 0.38159105337992 0.08982607034574 0.78947443809875 207.200 > 3 4 Pb 0.61840894662008 0.58982607034574 0.71052556190125 207.200 > 4 5 Pb 0.61840894662008 0.91017392965426 0.21052556190125 207.200 > 5 6 Pb 0.38159105337992 0.41017392965426 0.28947443809875 207.200 > 6 *7 As 0.20379099650225 0.98134089476179 0.40213756570962 74.922 > 7 8 As 0.79620900349775 0.48134089476179 0.09786243429038 74.922 > 8 9 As 0.79620900349775 0.01865910523821 0.59786243429038 74.922 > 9 10 As 0.20379099650225 0.51865910523821 0.90213756570962 74.922 > 10 *11 O 0.28069584928445 0.76177301048594 0.51834231776732 15.999 > 11 12 O 0.71930415071555 0.26177301048594 0.98165768223268 15.999 > 12 13 O 0.71930415071555 0.23822698951406 0.48165768223268 15.999 > 13 14 O 0.28069584928445 0.73822698951406 0.01834231776732 15.999 > 14 *15 O 0.25696223357354 0.29679706656362 0.02266318982053 15.999 > 15 16 O 0.74303776642646 0.79679706656362 0.47733681017947 15.999 > 16 17 O 0.74303776642646 0.70320293343638 0.97733681017947 15.999 > 17 18 O 0.25696223357354 0.20320293343638 0.52266318982053 15.999 > 18 *19 O 0.67654117668708 0.97184791860813 0.71764912097158 15.999 > 19 20 O 0.32345882331292 0.47184791860813 0.78235087902842 15.999 > 20 21 O 0.32345882331292 0.02815208139187 0.28235087902842 15.999 > 21 22 O 0.67654117668708 0.52815208139187 0.21764912097158 15.999 > 22 *23 O 0.96351750674420 0.96360750377051 0.27694178401594 15.999 > 23 24 O 0.03648249325580 0.46360750377051 0.22305821598406 15.999 > 24 25 O 0.03648249325580 0.03639249622949 0.72305821598406 15.999 > 25 26 O 0.96351750674420 0.53639249622949 0.77694178401594 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.890726820038044 0.000000000000000 0.000000000000000 b 0.000000000000000 12.453972480000003 0.000000000000000 c -3.877383718262200 0.000000000000000 8.510741515322913 Atomic positions (fractional): *1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 1 3 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 1 4 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 5 Pb 0.00000000000000 0.25000000000000 0.50000000000000 207.200 > 2 6 Pb 0.50000000000000 0.25000000000000 0.50000000000000 207.200 > 2 7 Pb 0.00000000000000 0.75000000000000 0.50000000000000 207.200 > 2 8 Pb 0.50000000000000 0.75000000000000 0.50000000000000 207.200 > 2 *9 Pb 0.19079552668996 0.04491303517287 0.78947443809875 207.200 > 3 10 Pb 0.69079552668996 0.04491303517287 0.78947443809875 207.200 > 3 11 Pb 0.19079552668996 0.54491303517287 0.78947443809875 207.200 > 3 12 Pb 0.69079552668996 0.54491303517287 0.78947443809875 207.200 > 3 13 Pb 0.30920447331004 0.29491303517287 0.71052556190125 207.200 > 4 14 Pb 0.80920447331004 0.29491303517287 0.71052556190125 207.200 > 4 15 Pb 0.30920447331004 0.79491303517287 0.71052556190125 207.200 > 4 16 Pb 0.80920447331004 0.79491303517287 0.71052556190125 207.200 > 4 17 Pb 0.30920447331004 0.45508696482713 0.21052556190125 207.200 > 5 18 Pb 0.80920447331004 0.45508696482713 0.21052556190125 207.200 > 5 19 Pb 0.30920447331004 0.95508696482713 0.21052556190125 207.200 > 5 20 Pb 0.80920447331004 0.95508696482713 0.21052556190125 207.200 > 5 21 Pb 0.19079552668996 0.20508696482713 0.28947443809875 207.200 > 6 22 Pb 0.69079552668996 0.20508696482713 0.28947443809875 207.200 > 6 23 Pb 0.19079552668996 0.70508696482713 0.28947443809875 207.200 > 6 24 Pb 0.69079552668996 0.70508696482713 0.28947443809875 207.200 > 6 *25 As 0.10189549825112 0.49067044738089 0.40213756570962 74.922 > 7 26 As 0.60189549825112 0.49067044738089 0.40213756570962 74.922 > 7 27 As 0.10189549825112 0.99067044738089 0.40213756570962 74.922 > 7 28 As 0.60189549825112 0.99067044738089 0.40213756570962 74.922 > 7 29 As 0.39810450174888 0.24067044738089 0.09786243429038 74.922 > 8 30 As 0.89810450174888 0.24067044738089 0.09786243429038 74.922 > 8 31 As 0.39810450174888 0.74067044738089 0.09786243429038 74.922 > 8 32 As 0.89810450174888 0.74067044738089 0.09786243429038 74.922 > 8 33 As 0.39810450174888 0.00932955261911 0.59786243429038 74.922 > 9 34 As 0.89810450174888 0.00932955261911 0.59786243429038 74.922 > 9 35 As 0.39810450174888 0.50932955261911 0.59786243429038 74.922 > 9 36 As 0.89810450174888 0.50932955261911 0.59786243429038 74.922 > 9 37 As 0.10189549825112 0.25932955261911 0.90213756570962 74.922 > 10 38 As 0.60189549825112 0.25932955261911 0.90213756570962 74.922 > 10 39 As 0.10189549825112 0.75932955261911 0.90213756570962 74.922 > 10 40 As 0.60189549825112 0.75932955261911 0.90213756570962 74.922 > 10 *41 O 0.14034792464222 0.38088650524297 0.51834231776732 15.999 > 11 42 O 0.64034792464222 0.38088650524297 0.51834231776732 15.999 > 11 43 O 0.14034792464222 0.88088650524297 0.51834231776732 15.999 > 11 44 O 0.64034792464222 0.88088650524297 0.51834231776732 15.999 > 11 45 O 0.35965207535778 0.13088650524297 0.98165768223268 15.999 > 12 46 O 0.85965207535778 0.13088650524297 0.98165768223268 15.999 > 12 47 O 0.35965207535778 0.63088650524297 0.98165768223268 15.999 > 12 48 O 0.85965207535778 0.63088650524297 0.98165768223268 15.999 > 12 49 O 0.35965207535778 0.11911349475703 0.48165768223268 15.999 > 13 50 O 0.85965207535778 0.11911349475703 0.48165768223268 15.999 > 13 51 O 0.35965207535778 0.61911349475703 0.48165768223268 15.999 > 13 52 O 0.85965207535778 0.61911349475703 0.48165768223268 15.999 > 13 53 O 0.14034792464222 0.36911349475703 0.01834231776732 15.999 > 14 54 O 0.64034792464222 0.36911349475703 0.01834231776732 15.999 > 14 55 O 0.14034792464222 0.86911349475703 0.01834231776732 15.999 > 14 56 O 0.64034792464222 0.86911349475703 0.01834231776732 15.999 > 14 *57 O 0.12848111678677 0.14839853328181 0.02266318982053 15.999 > 15 58 O 0.62848111678677 0.14839853328181 0.02266318982053 15.999 > 15 59 O 0.12848111678677 0.64839853328181 0.02266318982053 15.999 > 15 60 O 0.62848111678677 0.64839853328181 0.02266318982053 15.999 > 15 61 O 0.37151888321323 0.39839853328181 0.47733681017947 15.999 > 16 62 O 0.87151888321323 0.39839853328181 0.47733681017947 15.999 > 16 63 O 0.37151888321323 0.89839853328181 0.47733681017947 15.999 > 16 64 O 0.87151888321323 0.89839853328181 0.47733681017947 15.999 > 16 65 O 0.37151888321323 0.35160146671819 0.97733681017947 15.999 > 17 66 O 0.87151888321323 0.35160146671819 0.97733681017947 15.999 > 17 67 O 0.37151888321323 0.85160146671819 0.97733681017947 15.999 > 17 68 O 0.87151888321323 0.85160146671819 0.97733681017947 15.999 > 17 69 O 0.12848111678677 0.10160146671819 0.52266318982053 15.999 > 18 70 O 0.62848111678677 0.10160146671819 0.52266318982053 15.999 > 18 71 O 0.12848111678677 0.60160146671819 0.52266318982053 15.999 > 18 72 O 0.62848111678677 0.60160146671819 0.52266318982053 15.999 > 18 *73 O 0.33827058834354 0.48592395930407 0.71764912097158 15.999 > 19 74 O 0.83827058834354 0.48592395930407 0.71764912097158 15.999 > 19 75 O 0.33827058834354 0.98592395930407 0.71764912097158 15.999 > 19 76 O 0.83827058834354 0.98592395930407 0.71764912097158 15.999 > 19 77 O 0.16172941165646 0.23592395930407 0.78235087902842 15.999 > 20 78 O 0.66172941165646 0.23592395930407 0.78235087902842 15.999 > 20 79 O 0.16172941165646 0.73592395930407 0.78235087902842 15.999 > 20 80 O 0.66172941165646 0.73592395930407 0.78235087902842 15.999 > 20 81 O 0.16172941165646 0.01407604069593 0.28235087902842 15.999 > 21 82 O 0.66172941165646 0.01407604069593 0.28235087902842 15.999 > 21 83 O 0.16172941165646 0.51407604069593 0.28235087902842 15.999 > 21 84 O 0.66172941165646 0.51407604069593 0.28235087902842 15.999 > 21 85 O 0.33827058834354 0.26407604069593 0.21764912097158 15.999 > 22 86 O 0.83827058834354 0.26407604069593 0.21764912097158 15.999 > 22 87 O 0.33827058834354 0.76407604069593 0.21764912097158 15.999 > 22 88 O 0.83827058834354 0.76407604069593 0.21764912097158 15.999 > 22 *89 O 0.48175875337210 0.48180375188525 0.27694178401594 15.999 > 23 90 O 0.98175875337210 0.48180375188525 0.27694178401594 15.999 > 23 91 O 0.48175875337210 0.98180375188525 0.27694178401594 15.999 > 23 92 O 0.98175875337210 0.98180375188525 0.27694178401594 15.999 > 23 93 O 0.01824124662790 0.23180375188525 0.22305821598406 15.999 > 24 94 O 0.51824124662790 0.23180375188525 0.22305821598406 15.999 > 24 95 O 0.01824124662790 0.73180375188525 0.22305821598406 15.999 > 24 96 O 0.51824124662790 0.73180375188525 0.22305821598406 15.999 > 24 97 O 0.01824124662790 0.01819624811475 0.72305821598406 15.999 > 25 98 O 0.51824124662790 0.01819624811475 0.72305821598406 15.999 > 25 99 O 0.01824124662790 0.51819624811475 0.72305821598406 15.999 > 25 100 O 0.51824124662790 0.51819624811475 0.72305821598406 15.999 > 25 101 O 0.48175875337210 0.26819624811475 0.77694178401594 15.999 > 26 102 O 0.98175875337210 0.26819624811475 0.77694178401594 15.999 > 26 103 O 0.48175875337210 0.76819624811475 0.77694178401594 15.999 > 26 104 O 0.98175875337210 0.76819624811475 0.77694178401594 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8915509 0.0000000 0.0755755 0.0000000 4.6136641 0.0000000 0.0755759 0.0000000 5.0203140 -------------------------- Born effective charges -------------------------- 1 Pb 3.5356970 -0.0126167 -0.0358135 0.0339580 3.2838772 0.0951844 -0.1821045 0.1115925 3.5297113 2 Pb 3.5356970 0.0126167 -0.0358135 -0.0339580 3.2838772 -0.0951844 -0.1821045 -0.1115925 3.5297113 3 Pb 3.9248068 -0.1833158 0.3179234 -0.0119972 2.9534545 0.2704156 0.3420217 0.2495525 3.4257041 4 Pb 3.9248068 0.1833158 0.3179234 0.0119972 2.9534545 -0.2704156 0.3420217 -0.2495525 3.4257041 5 Pb 3.9248068 -0.1833158 0.3179234 -0.0119972 2.9534545 0.2704156 0.3420217 0.2495525 3.4257041 6 Pb 3.9248068 0.1833158 0.3179234 0.0119972 2.9534545 -0.2704156 0.3420217 -0.2495525 3.4257041 7 As 3.1160881 0.1415926 -0.1394178 0.5291972 3.7298872 -0.1415751 -0.0611762 0.0782529 4.1845558 8 As 3.1160881 -0.1415926 -0.1394178 -0.5291972 3.7298872 0.1415751 -0.0611762 -0.0782529 4.1845558 9 As 3.1160881 0.1415926 -0.1394178 0.5291972 3.7298872 -0.1415751 -0.0611762 0.0782529 4.1845558 10 As 3.1160881 -0.1415926 -0.1394178 -0.5291972 3.7298872 0.1415751 -0.0611762 -0.0782529 4.1845558 11 O -1.7800852 0.0189444 -0.3599525 -0.2301202 -2.6354212 0.3987703 -0.2853156 0.5705070 -1.9988528 12 O -1.7800852 -0.0189444 -0.3599525 0.2301202 -2.6354212 -0.3987703 -0.2853156 -0.5705070 -1.9988528 13 O -1.7800852 0.0189444 -0.3599525 -0.2301202 -2.6354212 0.3987703 -0.2853156 0.5705070 -1.9988528 14 O -1.7800852 -0.0189444 -0.3599525 0.2301202 -2.6354212 -0.3987703 -0.2853156 -0.5705070 -1.9988528 15 O -1.4877005 -0.3091473 0.3052962 -0.3569792 -2.3919212 0.2729149 0.2489438 0.2227270 -2.8776553 16 O -1.4877005 0.3091473 0.3052962 0.3569792 -2.3919212 -0.2729149 0.2489438 -0.2227270 -2.8776553 17 O -1.4877005 -0.3091473 0.3052962 -0.3569792 -2.3919212 0.2729149 0.2489438 0.2227270 -2.8776553 18 O -1.4877005 0.3091473 0.3052962 0.3569792 -2.3919212 -0.2729149 0.2489438 -0.2227270 -2.8776553 19 O -2.6911579 -0.4204839 0.5854713 -0.3611479 -2.0880388 0.0710873 0.3907985 0.0801370 -2.0924308 20 O -2.6911579 0.4204839 0.5854713 0.3611479 -2.0880388 -0.0710873 0.3907985 -0.0801370 -2.0924308 21 O -2.6911579 -0.4204839 0.5854713 -0.3611479 -2.0880388 0.0710873 0.3907985 0.0801370 -2.0924308 22 O -2.6911579 0.4204839 0.5854713 0.3611479 -2.0880388 -0.0710873 0.3907985 -0.0801370 -2.0924308 23 O -2.8497998 -0.2258354 -0.6914138 -0.4094148 -1.2098991 -0.0265192 -0.5442199 0.0062474 -2.4061766 24 O -2.8497998 0.2258354 -0.6914138 0.4094148 -1.2098991 0.0265192 -0.5442199 -0.0062474 -2.4061766 25 O -2.8497998 -0.2258354 -0.6914138 -0.4094148 -1.2098991 -0.0265192 -0.5442199 0.0062474 -2.4061766 26 O -2.8497998 0.2258354 -0.6914138 0.4094148 -1.2098991 0.0265192 -0.5442199 -0.0062474 -2.4061766 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.885 Solver_block: 200 / 800 - Time: 0.819 Solver_block: 300 / 800 - Time: 0.810 Solver_block: 400 / 800 - Time: 0.809 Solver_block: 500 / 800 - Time: 0.804 Solver_block: 600 / 800 - Time: 0.823 Solver_block: 700 / 800 - Time: 0.804 Solver_block: 800 / 800 - Time: 0.784 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.664 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) 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 09:43:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:43:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.445363410019022 0.000000000000000 0.000000000000000 b 0.000000000000000 6.226986240000001 0.000000000000000 c -3.877383718262200 0.000000000000000 8.510741515322913 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 2 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 3 Pb 0.38159105337992 0.08982607034574 0.78947443809875 207.200 4 Pb 0.61840894662008 0.58982607034574 0.71052556190125 207.200 5 Pb 0.61840894662008 0.91017392965426 0.21052556190125 207.200 6 Pb 0.38159105337992 0.41017392965426 0.28947443809875 207.200 7 As 0.20379099650225 0.98134089476179 0.40213756570962 74.922 8 As 0.79620900349775 0.48134089476179 0.09786243429038 74.922 9 As 0.79620900349775 0.01865910523821 0.59786243429038 74.922 10 As 0.20379099650225 0.51865910523821 0.90213756570962 74.922 11 O 0.28069584928445 0.76177301048594 0.51834231776732 15.999 12 O 0.71930415071555 0.26177301048594 0.98165768223268 15.999 13 O 0.71930415071555 0.23822698951406 0.48165768223268 15.999 14 O 0.28069584928445 0.73822698951406 0.01834231776732 15.999 15 O 0.25696223357354 0.29679706656362 0.02266318982053 15.999 16 O 0.74303776642646 0.79679706656362 0.47733681017947 15.999 17 O 0.74303776642646 0.70320293343638 0.97733681017947 15.999 18 O 0.25696223357354 0.20320293343638 0.52266318982053 15.999 19 O 0.67654117668708 0.97184791860813 0.71764912097158 15.999 20 O 0.32345882331292 0.47184791860813 0.78235087902842 15.999 21 O 0.32345882331292 0.02815208139187 0.28235087902842 15.999 22 O 0.67654117668708 0.52815208139187 0.21764912097158 15.999 23 O 0.96351750674420 0.96360750377051 0.27694178401594 15.999 24 O 0.03648249325580 0.46360750377051 0.22305821598406 15.999 25 O 0.03648249325580 0.03639249622949 0.72305821598406 15.999 26 O 0.96351750674420 0.53639249622949 0.77694178401594 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.890726820038044 0.000000000000000 0.000000000000000 b 0.000000000000000 12.453972480000003 0.000000000000000 c -3.877383718262200 0.000000000000000 8.510741515322913 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 1 3 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 1 4 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 5 Pb 0.00000000000000 0.25000000000000 0.50000000000000 207.200 > 5 6 Pb 0.50000000000000 0.25000000000000 0.50000000000000 207.200 > 5 7 Pb 0.00000000000000 0.75000000000000 0.50000000000000 207.200 > 5 8 Pb 0.50000000000000 0.75000000000000 0.50000000000000 207.200 > 5 9 Pb 0.19079552668996 0.04491303517287 0.78947443809875 207.200 > 9 10 Pb 0.69079552668996 0.04491303517287 0.78947443809875 207.200 > 9 11 Pb 0.19079552668996 0.54491303517287 0.78947443809875 207.200 > 9 12 Pb 0.69079552668996 0.54491303517287 0.78947443809875 207.200 > 9 13 Pb 0.30920447331004 0.29491303517287 0.71052556190125 207.200 > 13 14 Pb 0.80920447331004 0.29491303517287 0.71052556190125 207.200 > 13 15 Pb 0.30920447331004 0.79491303517287 0.71052556190125 207.200 > 13 16 Pb 0.80920447331004 0.79491303517287 0.71052556190125 207.200 > 13 17 Pb 0.30920447331004 0.45508696482713 0.21052556190125 207.200 > 17 18 Pb 0.80920447331004 0.45508696482713 0.21052556190125 207.200 > 17 19 Pb 0.30920447331004 0.95508696482713 0.21052556190125 207.200 > 17 20 Pb 0.80920447331004 0.95508696482713 0.21052556190125 207.200 > 17 21 Pb 0.19079552668996 0.20508696482713 0.28947443809875 207.200 > 21 22 Pb 0.69079552668996 0.20508696482713 0.28947443809875 207.200 > 21 23 Pb 0.19079552668996 0.70508696482713 0.28947443809875 207.200 > 21 24 Pb 0.69079552668996 0.70508696482713 0.28947443809875 207.200 > 21 25 As 0.10189549825112 0.49067044738089 0.40213756570962 74.922 > 25 26 As 0.60189549825112 0.49067044738089 0.40213756570962 74.922 > 25 27 As 0.10189549825112 0.99067044738089 0.40213756570962 74.922 > 25 28 As 0.60189549825112 0.99067044738089 0.40213756570962 74.922 > 25 29 As 0.39810450174888 0.24067044738089 0.09786243429038 74.922 > 29 30 As 0.89810450174888 0.24067044738089 0.09786243429038 74.922 > 29 31 As 0.39810450174888 0.74067044738089 0.09786243429038 74.922 > 29 32 As 0.89810450174888 0.74067044738089 0.09786243429038 74.922 > 29 33 As 0.39810450174888 0.00932955261911 0.59786243429038 74.922 > 33 34 As 0.89810450174888 0.00932955261911 0.59786243429038 74.922 > 33 35 As 0.39810450174888 0.50932955261911 0.59786243429038 74.922 > 33 36 As 0.89810450174888 0.50932955261911 0.59786243429038 74.922 > 33 37 As 0.10189549825112 0.25932955261911 0.90213756570962 74.922 > 37 38 As 0.60189549825112 0.25932955261911 0.90213756570962 74.922 > 37 39 As 0.10189549825112 0.75932955261911 0.90213756570962 74.922 > 37 40 As 0.60189549825112 0.75932955261911 0.90213756570962 74.922 > 37 41 O 0.14034792464222 0.38088650524297 0.51834231776732 15.999 > 41 42 O 0.64034792464222 0.38088650524297 0.51834231776732 15.999 > 41 43 O 0.14034792464222 0.88088650524297 0.51834231776732 15.999 > 41 44 O 0.64034792464222 0.88088650524297 0.51834231776732 15.999 > 41 45 O 0.35965207535778 0.13088650524297 0.98165768223268 15.999 > 45 46 O 0.85965207535778 0.13088650524297 0.98165768223268 15.999 > 45 47 O 0.35965207535778 0.63088650524297 0.98165768223268 15.999 > 45 48 O 0.85965207535778 0.63088650524297 0.98165768223268 15.999 > 45 49 O 0.35965207535778 0.11911349475703 0.48165768223268 15.999 > 49 50 O 0.85965207535778 0.11911349475703 0.48165768223268 15.999 > 49 51 O 0.35965207535778 0.61911349475703 0.48165768223268 15.999 > 49 52 O 0.85965207535778 0.61911349475703 0.48165768223268 15.999 > 49 53 O 0.14034792464222 0.36911349475703 0.01834231776732 15.999 > 53 54 O 0.64034792464222 0.36911349475703 0.01834231776732 15.999 > 53 55 O 0.14034792464222 0.86911349475703 0.01834231776732 15.999 > 53 56 O 0.64034792464222 0.86911349475703 0.01834231776732 15.999 > 53 57 O 0.12848111678677 0.14839853328181 0.02266318982053 15.999 > 57 58 O 0.62848111678677 0.14839853328181 0.02266318982053 15.999 > 57 59 O 0.12848111678677 0.64839853328181 0.02266318982053 15.999 > 57 60 O 0.62848111678677 0.64839853328181 0.02266318982053 15.999 > 57 61 O 0.37151888321323 0.39839853328181 0.47733681017947 15.999 > 61 62 O 0.87151888321323 0.39839853328181 0.47733681017947 15.999 > 61 63 O 0.37151888321323 0.89839853328181 0.47733681017947 15.999 > 61 64 O 0.87151888321323 0.89839853328181 0.47733681017947 15.999 > 61 65 O 0.37151888321323 0.35160146671819 0.97733681017947 15.999 > 65 66 O 0.87151888321323 0.35160146671819 0.97733681017947 15.999 > 65 67 O 0.37151888321323 0.85160146671819 0.97733681017947 15.999 > 65 68 O 0.87151888321323 0.85160146671819 0.97733681017947 15.999 > 65 69 O 0.12848111678677 0.10160146671819 0.52266318982053 15.999 > 69 70 O 0.62848111678677 0.10160146671819 0.52266318982053 15.999 > 69 71 O 0.12848111678677 0.60160146671819 0.52266318982053 15.999 > 69 72 O 0.62848111678677 0.60160146671819 0.52266318982053 15.999 > 69 73 O 0.33827058834354 0.48592395930407 0.71764912097158 15.999 > 73 74 O 0.83827058834354 0.48592395930407 0.71764912097158 15.999 > 73 75 O 0.33827058834354 0.98592395930407 0.71764912097158 15.999 > 73 76 O 0.83827058834354 0.98592395930407 0.71764912097158 15.999 > 73 77 O 0.16172941165646 0.23592395930407 0.78235087902842 15.999 > 77 78 O 0.66172941165646 0.23592395930407 0.78235087902842 15.999 > 77 79 O 0.16172941165646 0.73592395930407 0.78235087902842 15.999 > 77 80 O 0.66172941165646 0.73592395930407 0.78235087902842 15.999 > 77 81 O 0.16172941165646 0.01407604069593 0.28235087902842 15.999 > 81 82 O 0.66172941165646 0.01407604069593 0.28235087902842 15.999 > 81 83 O 0.16172941165646 0.51407604069593 0.28235087902842 15.999 > 81 84 O 0.66172941165646 0.51407604069593 0.28235087902842 15.999 > 81 85 O 0.33827058834354 0.26407604069593 0.21764912097158 15.999 > 85 86 O 0.83827058834354 0.26407604069593 0.21764912097158 15.999 > 85 87 O 0.33827058834354 0.76407604069593 0.21764912097158 15.999 > 85 88 O 0.83827058834354 0.76407604069593 0.21764912097158 15.999 > 85 89 O 0.48175875337210 0.48180375188525 0.27694178401594 15.999 > 89 90 O 0.98175875337210 0.48180375188525 0.27694178401594 15.999 > 89 91 O 0.48175875337210 0.98180375188525 0.27694178401594 15.999 > 89 92 O 0.98175875337210 0.98180375188525 0.27694178401594 15.999 > 89 93 O 0.01824124662790 0.23180375188525 0.22305821598406 15.999 > 93 94 O 0.51824124662790 0.23180375188525 0.22305821598406 15.999 > 93 95 O 0.01824124662790 0.73180375188525 0.22305821598406 15.999 > 93 96 O 0.51824124662790 0.73180375188525 0.22305821598406 15.999 > 93 97 O 0.01824124662790 0.01819624811475 0.72305821598406 15.999 > 97 98 O 0.51824124662790 0.01819624811475 0.72305821598406 15.999 > 97 99 O 0.01824124662790 0.51819624811475 0.72305821598406 15.999 > 97 100 O 0.51824124662790 0.51819624811475 0.72305821598406 15.999 > 97 101 O 0.48175875337210 0.26819624811475 0.77694178401594 15.999 > 101 102 O 0.98175875337210 0.26819624811475 0.77694178401594 15.999 > 101 103 O 0.48175875337210 0.76819624811475 0.77694178401594 15.999 > 101 104 O 0.98175875337210 0.76819624811475 0.77694178401594 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8915509 0.0000000 0.0755755 0.0000000 4.6136641 0.0000000 0.0755759 0.0000000 5.0203140 -------------------------- Born effective charges -------------------------- 1 Pb 3.5356970 -0.0126167 -0.0358135 0.0339580 3.2838772 0.0951844 -0.1821045 0.1115925 3.5297113 2 Pb 3.5356970 0.0126167 -0.0358135 -0.0339580 3.2838772 -0.0951844 -0.1821045 -0.1115925 3.5297113 3 Pb 3.9248068 -0.1833158 0.3179234 -0.0119972 2.9534545 0.2704156 0.3420217 0.2495525 3.4257041 4 Pb 3.9248068 0.1833158 0.3179234 0.0119972 2.9534545 -0.2704156 0.3420217 -0.2495525 3.4257041 5 Pb 3.9248068 -0.1833158 0.3179234 -0.0119972 2.9534545 0.2704156 0.3420217 0.2495525 3.4257041 6 Pb 3.9248068 0.1833158 0.3179234 0.0119972 2.9534545 -0.2704156 0.3420217 -0.2495525 3.4257041 7 As 3.1160881 0.1415926 -0.1394178 0.5291972 3.7298872 -0.1415751 -0.0611762 0.0782529 4.1845558 8 As 3.1160881 -0.1415926 -0.1394178 -0.5291972 3.7298872 0.1415751 -0.0611762 -0.0782529 4.1845558 9 As 3.1160881 0.1415926 -0.1394178 0.5291972 3.7298872 -0.1415751 -0.0611762 0.0782529 4.1845558 10 As 3.1160881 -0.1415926 -0.1394178 -0.5291972 3.7298872 0.1415751 -0.0611762 -0.0782529 4.1845558 11 O -1.7800852 0.0189444 -0.3599525 -0.2301202 -2.6354212 0.3987703 -0.2853156 0.5705070 -1.9988528 12 O -1.7800852 -0.0189444 -0.3599525 0.2301202 -2.6354212 -0.3987703 -0.2853156 -0.5705070 -1.9988528 13 O -1.7800852 0.0189444 -0.3599525 -0.2301202 -2.6354212 0.3987703 -0.2853156 0.5705070 -1.9988528 14 O -1.7800852 -0.0189444 -0.3599525 0.2301202 -2.6354212 -0.3987703 -0.2853156 -0.5705070 -1.9988528 15 O -1.4877005 -0.3091473 0.3052962 -0.3569792 -2.3919212 0.2729149 0.2489438 0.2227270 -2.8776553 16 O -1.4877005 0.3091473 0.3052962 0.3569792 -2.3919212 -0.2729149 0.2489438 -0.2227270 -2.8776553 17 O -1.4877005 -0.3091473 0.3052962 -0.3569792 -2.3919212 0.2729149 0.2489438 0.2227270 -2.8776553 18 O -1.4877005 0.3091473 0.3052962 0.3569792 -2.3919212 -0.2729149 0.2489438 -0.2227270 -2.8776553 19 O -2.6911579 -0.4204839 0.5854713 -0.3611479 -2.0880388 0.0710873 0.3907985 0.0801370 -2.0924308 20 O -2.6911579 0.4204839 0.5854713 0.3611479 -2.0880388 -0.0710873 0.3907985 -0.0801370 -2.0924308 21 O -2.6911579 -0.4204839 0.5854713 -0.3611479 -2.0880388 0.0710873 0.3907985 0.0801370 -2.0924308 22 O -2.6911579 0.4204839 0.5854713 0.3611479 -2.0880388 -0.0710873 0.3907985 -0.0801370 -2.0924308 23 O -2.8497998 -0.2258354 -0.6914138 -0.4094148 -1.2098991 -0.0265192 -0.5442199 0.0062474 -2.4061766 24 O -2.8497998 0.2258354 -0.6914138 0.4094148 -1.2098991 0.0265192 -0.5442199 -0.0062474 -2.4061766 25 O -2.8497998 -0.2258354 -0.6914138 -0.4094148 -1.2098991 -0.0265192 -0.5442199 0.0062474 -2.4061766 26 O -2.8497998 0.2258354 -0.6914138 0.4094148 -1.2098991 0.0265192 -0.5442199 -0.0062474 -2.4061766 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 57, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 89, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:44:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:44:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.445363410019022 0.000000000000000 0.000000000000000 b 0.000000000000000 6.226986240000001 0.000000000000000 c -3.877383718262200 0.000000000000000 8.510741515322913 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 2 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 3 Pb 0.38159105337992 0.08982607034574 0.78947443809875 207.200 4 Pb 0.61840894662008 0.58982607034574 0.71052556190125 207.200 5 Pb 0.61840894662008 0.91017392965426 0.21052556190125 207.200 6 Pb 0.38159105337992 0.41017392965426 0.28947443809875 207.200 7 As 0.20379099650225 0.98134089476179 0.40213756570962 74.922 8 As 0.79620900349775 0.48134089476179 0.09786243429038 74.922 9 As 0.79620900349775 0.01865910523821 0.59786243429038 74.922 10 As 0.20379099650225 0.51865910523821 0.90213756570962 74.922 11 O 0.28069584928445 0.76177301048594 0.51834231776732 15.999 12 O 0.71930415071555 0.26177301048594 0.98165768223268 15.999 13 O 0.71930415071555 0.23822698951406 0.48165768223268 15.999 14 O 0.28069584928445 0.73822698951406 0.01834231776732 15.999 15 O 0.25696223357354 0.29679706656362 0.02266318982053 15.999 16 O 0.74303776642646 0.79679706656362 0.47733681017947 15.999 17 O 0.74303776642646 0.70320293343638 0.97733681017947 15.999 18 O 0.25696223357354 0.20320293343638 0.52266318982053 15.999 19 O 0.67654117668708 0.97184791860813 0.71764912097158 15.999 20 O 0.32345882331292 0.47184791860813 0.78235087902842 15.999 21 O 0.32345882331292 0.02815208139187 0.28235087902842 15.999 22 O 0.67654117668708 0.52815208139187 0.21764912097158 15.999 23 O 0.96351750674420 0.96360750377051 0.27694178401594 15.999 24 O 0.03648249325580 0.46360750377051 0.22305821598406 15.999 25 O 0.03648249325580 0.03639249622949 0.72305821598406 15.999 26 O 0.96351750674420 0.53639249622949 0.77694178401594 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.890726820038044 0.000000000000000 0.000000000000000 b 0.000000000000000 12.453972480000003 0.000000000000000 c -3.877383718262200 0.000000000000000 8.510741515322913 Atomic positions (fractional): 1 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 1 2 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 1 3 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 1 4 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 1 5 Pb 0.00000000000000 0.25000000000000 0.50000000000000 207.200 > 5 6 Pb 0.50000000000000 0.25000000000000 0.50000000000000 207.200 > 5 7 Pb 0.00000000000000 0.75000000000000 0.50000000000000 207.200 > 5 8 Pb 0.50000000000000 0.75000000000000 0.50000000000000 207.200 > 5 9 Pb 0.19079552668996 0.04491303517287 0.78947443809875 207.200 > 9 10 Pb 0.69079552668996 0.04491303517287 0.78947443809875 207.200 > 9 11 Pb 0.19079552668996 0.54491303517287 0.78947443809875 207.200 > 9 12 Pb 0.69079552668996 0.54491303517287 0.78947443809875 207.200 > 9 13 Pb 0.30920447331004 0.29491303517287 0.71052556190125 207.200 > 13 14 Pb 0.80920447331004 0.29491303517287 0.71052556190125 207.200 > 13 15 Pb 0.30920447331004 0.79491303517287 0.71052556190125 207.200 > 13 16 Pb 0.80920447331004 0.79491303517287 0.71052556190125 207.200 > 13 17 Pb 0.30920447331004 0.45508696482713 0.21052556190125 207.200 > 17 18 Pb 0.80920447331004 0.45508696482713 0.21052556190125 207.200 > 17 19 Pb 0.30920447331004 0.95508696482713 0.21052556190125 207.200 > 17 20 Pb 0.80920447331004 0.95508696482713 0.21052556190125 207.200 > 17 21 Pb 0.19079552668996 0.20508696482713 0.28947443809875 207.200 > 21 22 Pb 0.69079552668996 0.20508696482713 0.28947443809875 207.200 > 21 23 Pb 0.19079552668996 0.70508696482713 0.28947443809875 207.200 > 21 24 Pb 0.69079552668996 0.70508696482713 0.28947443809875 207.200 > 21 25 As 0.10189549825112 0.49067044738089 0.40213756570962 74.922 > 25 26 As 0.60189549825112 0.49067044738089 0.40213756570962 74.922 > 25 27 As 0.10189549825112 0.99067044738089 0.40213756570962 74.922 > 25 28 As 0.60189549825112 0.99067044738089 0.40213756570962 74.922 > 25 29 As 0.39810450174888 0.24067044738089 0.09786243429038 74.922 > 29 30 As 0.89810450174888 0.24067044738089 0.09786243429038 74.922 > 29 31 As 0.39810450174888 0.74067044738089 0.09786243429038 74.922 > 29 32 As 0.89810450174888 0.74067044738089 0.09786243429038 74.922 > 29 33 As 0.39810450174888 0.00932955261911 0.59786243429038 74.922 > 33 34 As 0.89810450174888 0.00932955261911 0.59786243429038 74.922 > 33 35 As 0.39810450174888 0.50932955261911 0.59786243429038 74.922 > 33 36 As 0.89810450174888 0.50932955261911 0.59786243429038 74.922 > 33 37 As 0.10189549825112 0.25932955261911 0.90213756570962 74.922 > 37 38 As 0.60189549825112 0.25932955261911 0.90213756570962 74.922 > 37 39 As 0.10189549825112 0.75932955261911 0.90213756570962 74.922 > 37 40 As 0.60189549825112 0.75932955261911 0.90213756570962 74.922 > 37 41 O 0.14034792464222 0.38088650524297 0.51834231776732 15.999 > 41 42 O 0.64034792464222 0.38088650524297 0.51834231776732 15.999 > 41 43 O 0.14034792464222 0.88088650524297 0.51834231776732 15.999 > 41 44 O 0.64034792464222 0.88088650524297 0.51834231776732 15.999 > 41 45 O 0.35965207535778 0.13088650524297 0.98165768223268 15.999 > 45 46 O 0.85965207535778 0.13088650524297 0.98165768223268 15.999 > 45 47 O 0.35965207535778 0.63088650524297 0.98165768223268 15.999 > 45 48 O 0.85965207535778 0.63088650524297 0.98165768223268 15.999 > 45 49 O 0.35965207535778 0.11911349475703 0.48165768223268 15.999 > 49 50 O 0.85965207535778 0.11911349475703 0.48165768223268 15.999 > 49 51 O 0.35965207535778 0.61911349475703 0.48165768223268 15.999 > 49 52 O 0.85965207535778 0.61911349475703 0.48165768223268 15.999 > 49 53 O 0.14034792464222 0.36911349475703 0.01834231776732 15.999 > 53 54 O 0.64034792464222 0.36911349475703 0.01834231776732 15.999 > 53 55 O 0.14034792464222 0.86911349475703 0.01834231776732 15.999 > 53 56 O 0.64034792464222 0.86911349475703 0.01834231776732 15.999 > 53 57 O 0.12848111678677 0.14839853328181 0.02266318982053 15.999 > 57 58 O 0.62848111678677 0.14839853328181 0.02266318982053 15.999 > 57 59 O 0.12848111678677 0.64839853328181 0.02266318982053 15.999 > 57 60 O 0.62848111678677 0.64839853328181 0.02266318982053 15.999 > 57 61 O 0.37151888321323 0.39839853328181 0.47733681017947 15.999 > 61 62 O 0.87151888321323 0.39839853328181 0.47733681017947 15.999 > 61 63 O 0.37151888321323 0.89839853328181 0.47733681017947 15.999 > 61 64 O 0.87151888321323 0.89839853328181 0.47733681017947 15.999 > 61 65 O 0.37151888321323 0.35160146671819 0.97733681017947 15.999 > 65 66 O 0.87151888321323 0.35160146671819 0.97733681017947 15.999 > 65 67 O 0.37151888321323 0.85160146671819 0.97733681017947 15.999 > 65 68 O 0.87151888321323 0.85160146671819 0.97733681017947 15.999 > 65 69 O 0.12848111678677 0.10160146671819 0.52266318982053 15.999 > 69 70 O 0.62848111678677 0.10160146671819 0.52266318982053 15.999 > 69 71 O 0.12848111678677 0.60160146671819 0.52266318982053 15.999 > 69 72 O 0.62848111678677 0.60160146671819 0.52266318982053 15.999 > 69 73 O 0.33827058834354 0.48592395930407 0.71764912097158 15.999 > 73 74 O 0.83827058834354 0.48592395930407 0.71764912097158 15.999 > 73 75 O 0.33827058834354 0.98592395930407 0.71764912097158 15.999 > 73 76 O 0.83827058834354 0.98592395930407 0.71764912097158 15.999 > 73 77 O 0.16172941165646 0.23592395930407 0.78235087902842 15.999 > 77 78 O 0.66172941165646 0.23592395930407 0.78235087902842 15.999 > 77 79 O 0.16172941165646 0.73592395930407 0.78235087902842 15.999 > 77 80 O 0.66172941165646 0.73592395930407 0.78235087902842 15.999 > 77 81 O 0.16172941165646 0.01407604069593 0.28235087902842 15.999 > 81 82 O 0.66172941165646 0.01407604069593 0.28235087902842 15.999 > 81 83 O 0.16172941165646 0.51407604069593 0.28235087902842 15.999 > 81 84 O 0.66172941165646 0.51407604069593 0.28235087902842 15.999 > 81 85 O 0.33827058834354 0.26407604069593 0.21764912097158 15.999 > 85 86 O 0.83827058834354 0.26407604069593 0.21764912097158 15.999 > 85 87 O 0.33827058834354 0.76407604069593 0.21764912097158 15.999 > 85 88 O 0.83827058834354 0.76407604069593 0.21764912097158 15.999 > 85 89 O 0.48175875337210 0.48180375188525 0.27694178401594 15.999 > 89 90 O 0.98175875337210 0.48180375188525 0.27694178401594 15.999 > 89 91 O 0.48175875337210 0.98180375188525 0.27694178401594 15.999 > 89 92 O 0.98175875337210 0.98180375188525 0.27694178401594 15.999 > 89 93 O 0.01824124662790 0.23180375188525 0.22305821598406 15.999 > 93 94 O 0.51824124662790 0.23180375188525 0.22305821598406 15.999 > 93 95 O 0.01824124662790 0.73180375188525 0.22305821598406 15.999 > 93 96 O 0.51824124662790 0.73180375188525 0.22305821598406 15.999 > 93 97 O 0.01824124662790 0.01819624811475 0.72305821598406 15.999 > 97 98 O 0.51824124662790 0.01819624811475 0.72305821598406 15.999 > 97 99 O 0.01824124662790 0.51819624811475 0.72305821598406 15.999 > 97 100 O 0.51824124662790 0.51819624811475 0.72305821598406 15.999 > 97 101 O 0.48175875337210 0.26819624811475 0.77694178401594 15.999 > 101 102 O 0.98175875337210 0.26819624811475 0.77694178401594 15.999 > 101 103 O 0.48175875337210 0.76819624811475 0.77694178401594 15.999 > 101 104 O 0.98175875337210 0.76819624811475 0.77694178401594 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8915509 0.0000000 0.0755755 0.0000000 4.6136641 0.0000000 0.0755759 0.0000000 5.0203140 -------------------------- Born effective charges -------------------------- 1 Pb 3.5356970 -0.0126167 -0.0358135 0.0339580 3.2838772 0.0951844 -0.1821045 0.1115925 3.5297113 2 Pb 3.5356970 0.0126167 -0.0358135 -0.0339580 3.2838772 -0.0951844 -0.1821045 -0.1115925 3.5297113 3 Pb 3.9248068 -0.1833158 0.3179234 -0.0119972 2.9534545 0.2704156 0.3420217 0.2495525 3.4257041 4 Pb 3.9248068 0.1833158 0.3179234 0.0119972 2.9534545 -0.2704156 0.3420217 -0.2495525 3.4257041 5 Pb 3.9248068 -0.1833158 0.3179234 -0.0119972 2.9534545 0.2704156 0.3420217 0.2495525 3.4257041 6 Pb 3.9248068 0.1833158 0.3179234 0.0119972 2.9534545 -0.2704156 0.3420217 -0.2495525 3.4257041 7 As 3.1160881 0.1415926 -0.1394178 0.5291972 3.7298872 -0.1415751 -0.0611762 0.0782529 4.1845558 8 As 3.1160881 -0.1415926 -0.1394178 -0.5291972 3.7298872 0.1415751 -0.0611762 -0.0782529 4.1845558 9 As 3.1160881 0.1415926 -0.1394178 0.5291972 3.7298872 -0.1415751 -0.0611762 0.0782529 4.1845558 10 As 3.1160881 -0.1415926 -0.1394178 -0.5291972 3.7298872 0.1415751 -0.0611762 -0.0782529 4.1845558 11 O -1.7800852 0.0189444 -0.3599525 -0.2301202 -2.6354212 0.3987703 -0.2853156 0.5705070 -1.9988528 12 O -1.7800852 -0.0189444 -0.3599525 0.2301202 -2.6354212 -0.3987703 -0.2853156 -0.5705070 -1.9988528 13 O -1.7800852 0.0189444 -0.3599525 -0.2301202 -2.6354212 0.3987703 -0.2853156 0.5705070 -1.9988528 14 O -1.7800852 -0.0189444 -0.3599525 0.2301202 -2.6354212 -0.3987703 -0.2853156 -0.5705070 -1.9988528 15 O -1.4877005 -0.3091473 0.3052962 -0.3569792 -2.3919212 0.2729149 0.2489438 0.2227270 -2.8776553 16 O -1.4877005 0.3091473 0.3052962 0.3569792 -2.3919212 -0.2729149 0.2489438 -0.2227270 -2.8776553 17 O -1.4877005 -0.3091473 0.3052962 -0.3569792 -2.3919212 0.2729149 0.2489438 0.2227270 -2.8776553 18 O -1.4877005 0.3091473 0.3052962 0.3569792 -2.3919212 -0.2729149 0.2489438 -0.2227270 -2.8776553 19 O -2.6911579 -0.4204839 0.5854713 -0.3611479 -2.0880388 0.0710873 0.3907985 0.0801370 -2.0924308 20 O -2.6911579 0.4204839 0.5854713 0.3611479 -2.0880388 -0.0710873 0.3907985 -0.0801370 -2.0924308 21 O -2.6911579 -0.4204839 0.5854713 -0.3611479 -2.0880388 0.0710873 0.3907985 0.0801370 -2.0924308 22 O -2.6911579 0.4204839 0.5854713 0.3611479 -2.0880388 -0.0710873 0.3907985 -0.0801370 -2.0924308 23 O -2.8497998 -0.2258354 -0.6914138 -0.4094148 -1.2098991 -0.0265192 -0.5442199 0.0062474 -2.4061766 24 O -2.8497998 0.2258354 -0.6914138 0.4094148 -1.2098991 0.0265192 -0.5442199 -0.0062474 -2.4061766 25 O -2.8497998 -0.2258354 -0.6914138 -0.4094148 -1.2098991 -0.0265192 -0.5442199 0.0062474 -2.4061766 26 O -2.8497998 0.2258354 -0.6914138 0.4094148 -1.2098991 0.0265192 -0.5442199 -0.0062474 -2.4061766 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- 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 ... [ 7 8 6 ] 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: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/110) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.148 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 6.221 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 10.926 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.998 ( 0.000 0.000 0.000) 0.000 12.354 ( 0.000 0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 12.829 ( 0.000 0.000 0.000) 0.000 20.280 ( 0.000 0.000 0.000) 0.000 20.432 ( 0.000 0.000 0.000) 0.000 20.943 ( 0.000 0.000 0.000) 0.000 21.176 ( 0.000 0.000 0.000) 0.000 21.223 ( 0.000 0.000 0.000) 0.000 21.281 ( 0.000 0.000 0.000) 0.000 21.492 ( 0.000 0.000 0.000) 0.000 21.734 ( 0.000 0.000 0.000) 0.000 22.290 ( 0.000 0.000 0.000) 0.000 22.588 ( 0.000 0.000 0.000) 0.000 22.941 ( 0.000 0.000 0.000) 0.000 23.023 ( 0.000 0.000 0.000) 0.000 23.452 ( 0.000 0.000 0.000) 0.000 23.711 ( 0.000 0.000 0.000) 0.000 23.789 ( 0.000 0.000 0.000) 0.000 23.915 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/110) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 6.701 0.000 23.527) 24.463 0.382 ( 15.980 0.000 6.456) 17.235 0.814 ( 35.260 0.000 6.378) 35.833 1.158 ( -0.152 0.000 1.248) 1.257 1.337 ( -3.014 0.000 1.806) 3.514 1.394 ( 1.815 0.000 2.060) 2.746 1.442 ( -0.194 0.000 -4.008) 4.013 1.468 ( 0.489 0.000 -0.985) 1.100 1.589 ( -0.909 0.000 -0.661) 1.125 1.734 ( -0.814 0.000 -3.861) 3.946 1.749 ( 8.765 0.000 -0.713) 8.794 1.959 ( -0.403 0.000 -2.232) 2.268 2.042 ( -6.525 0.000 3.620) 7.462 2.089 ( -2.941 0.000 -8.554) 9.046 2.095 ( -0.715 0.000 -0.412) 0.825 2.219 ( 1.411 0.000 3.544) 3.814 2.464 ( -2.929 0.000 -1.055) 3.113 2.562 ( 3.417 0.000 -1.836) 3.879 2.703 ( 8.008 0.000 1.627) 8.172 2.782 ( 4.312 0.000 -13.578) 14.246 2.820 ( 1.242 0.000 3.309) 3.534 2.831 ( -2.019 0.000 10.517) 10.709 3.427 ( -0.325 0.000 6.620) 6.628 3.459 ( 0.888 0.000 4.557) 4.642 3.530 ( -4.772 0.000 -3.375) 5.845 3.664 ( 1.122 0.000 -1.010) 1.510 3.865 ( 3.204 0.000 -3.950) 5.086 4.027 ( 6.552 0.000 3.491) 7.424 4.235 ( 0.294 0.000 2.128) 2.148 4.556 ( -6.863 0.000 11.992) 13.817 4.701 ( -8.024 0.000 4.939) 9.422 4.754 ( 8.762 0.000 -5.094) 10.135 4.899 ( 9.872 0.000 -16.377) 19.122 4.937 ( 3.435 0.000 -2.139) 4.047 5.220 ( -2.337 0.000 1.491) 2.772 5.246 ( -3.032 0.000 4.608) 5.516 5.568 ( 7.890 0.000 -15.955) 17.799 5.762 ( -0.011 0.000 -8.712) 8.712 6.097 ( -8.923 0.000 -2.188) 9.187 6.267 ( -2.949 0.000 -0.249) 2.959 6.291 ( -1.929 0.000 6.318) 6.606 6.353 ( -18.042 0.000 15.736) 23.940 8.280 ( -5.114 0.000 -2.410) 5.653 8.587 ( -8.312 0.000 5.857) 10.168 8.906 ( 9.016 0.000 -8.502) 12.392 9.222 ( 5.722 0.000 1.326) 5.874 9.266 ( 4.113 0.000 2.757) 4.952 9.458 ( -1.135 0.000 1.178) 1.635 9.652 ( 0.030 0.000 -1.078) 1.079 9.875 ( -0.604 0.000 -3.052) 3.111 10.199 ( 2.095 0.000 5.470) 5.857 10.230 ( 8.072 0.000 -25.505) 26.752 10.930 ( 0.493 0.000 0.140) 0.513 11.061 ( 1.524 0.000 0.519) 1.610 11.493 ( 0.442 0.000 -1.917) 1.968 11.614 ( 2.811 0.000 -5.547) 6.219 11.723 ( 1.155 0.000 -3.119) 3.326 11.990 ( -2.040 0.000 2.932) 3.572 12.083 ( -20.954 0.000 56.604) 60.358 12.337 ( 1.835 0.000 -5.999) 6.273 12.378 ( -1.413 0.000 5.592) 5.768 12.807 ( -0.719 0.000 -3.638) 3.708 20.380 ( 1.284 0.000 -9.223) 9.312 20.551 ( 13.968 0.000 -20.815) 25.068 20.890 ( -3.620 0.000 -0.294) 3.632 21.228 ( 5.778 0.000 -0.705) 5.821 21.281 ( 3.156 0.000 -2.220) 3.858 21.395 ( 10.081 0.000 6.365) 11.923 21.728 ( 1.008 0.000 -3.704) 3.838 21.769 ( 6.356 0.000 -14.263) 15.615 22.609 ( 1.054 0.000 2.755) 2.950 22.844 ( -2.189 0.000 15.315) 15.470 22.903 ( -7.387 0.000 -2.329) 7.746 22.975 ( 0.879 0.000 -0.544) 1.034 23.445 ( -1.078 0.000 0.684) 1.277 23.763 ( -5.781 0.000 2.322) 6.229 23.872 ( -0.542 0.000 -4.705) 4.737 24.868 ( -10.060 0.000 22.239) 24.409 ======================= Grid point 2 (3/110) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 8.101 0.000 18.229) 19.948 0.704 ( 11.100 0.000 5.861) 12.553 1.143 ( -1.920 0.000 0.309) 1.944 1.240 ( -0.034 0.000 1.353) 1.354 1.357 ( -1.269 0.000 -2.162) 2.507 1.412 ( 9.288 0.000 -0.032) 9.288 1.501 ( 1.940 0.000 5.536) 5.867 1.506 ( 3.417 0.000 0.405) 3.441 1.560 ( 5.568 0.000 -7.412) 9.270 1.664 ( -2.601 0.000 -3.771) 4.581 1.863 ( -4.241 0.000 -1.954) 4.669 1.886 ( 5.228 0.000 -0.727) 5.278 1.962 ( -4.585 0.000 0.390) 4.602 2.020 ( 1.947 0.000 -7.389) 7.641 2.093 ( -1.099 0.000 2.755) 2.966 2.292 ( 0.311 0.000 9.070) 9.075 2.448 ( 2.340 0.000 0.548) 2.403 2.578 ( 1.037 0.000 -2.483) 2.691 2.690 ( 0.501 0.000 -12.225) 12.235 2.852 ( 4.212 0.000 0.575) 4.251 2.887 ( -1.455 0.000 10.440) 10.540 2.926 ( 6.586 0.000 -1.152) 6.686 3.389 ( -3.908 0.000 -5.759) 6.960 3.489 ( 0.859 0.000 5.903) 5.965 3.528 ( 2.531 0.000 2.757) 3.743 3.652 ( -0.617 0.000 -1.569) 1.686 3.986 ( 8.059 0.000 2.039) 8.313 4.213 ( 6.318 0.000 6.615) 9.147 4.264 ( 0.281 0.000 2.500) 2.516 4.537 ( -3.511 0.000 6.128) 7.063 4.580 ( -5.944 0.000 1.020) 6.030 4.831 ( 2.883 0.000 -1.130) 3.096 4.932 ( 4.941 0.000 -9.547) 10.750 5.000 ( 4.632 0.000 -4.028) 6.138 5.138 ( -5.397 0.000 -3.219) 6.284 5.242 ( 0.586 0.000 1.762) 1.857 5.586 ( 3.458 0.000 -6.721) 7.559 5.679 ( 0.152 0.000 -8.782) 8.784 5.882 ( -10.766 0.000 -1.243) 10.837 6.094 ( -14.789 0.000 6.110) 16.002 6.221 ( -3.562 0.000 0.357) 3.579 6.298 ( -2.679 0.000 6.028) 6.597 8.157 ( -4.734 0.000 -2.400) 5.307 8.492 ( -6.042 0.000 4.864) 7.756 8.992 ( 6.580 0.000 -6.842) 9.493 9.303 ( -0.382 0.000 0.598) 0.709 9.390 ( 5.709 0.000 2.629) 6.285 9.463 ( 2.920 0.000 -0.680) 2.999 9.634 ( -2.227 0.000 1.525) 2.699 9.904 ( 4.556 0.000 1.614) 4.834 10.146 ( 0.336 0.000 -11.036) 11.041 10.269 ( 0.033 0.000 4.237) 4.237 10.954 ( 1.632 0.000 0.744) 1.793 11.101 ( 1.912 0.000 0.584) 1.999 11.491 ( 0.875 0.000 -1.519) 1.753 11.610 ( -0.352 0.000 -0.584) 0.682 11.688 ( -1.219 0.000 -5.251) 5.390 11.984 ( -1.766 0.000 4.624) 4.950 12.216 ( -3.608 0.000 27.182) 27.421 12.322 ( 1.768 0.000 -5.331) 5.617 12.398 ( -1.207 0.000 4.464) 4.624 12.732 ( -2.139 0.000 -7.643) 7.937 20.338 ( 0.321 0.000 -3.903) 3.916 20.628 ( 6.826 0.000 -7.838) 10.394 20.828 ( -2.364 0.000 -0.522) 2.421 21.318 ( 1.652 0.000 0.535) 1.737 21.384 ( 9.484 0.000 1.125) 9.550 21.673 ( 12.687 0.000 2.921) 13.019 21.709 ( 0.876 0.000 -4.348) 4.435 21.771 ( 2.374 0.000 -4.332) 4.940 22.678 ( 3.017 0.000 3.511) 4.629 22.684 ( -10.318 0.000 -4.457) 11.239 22.947 ( 2.121 0.000 6.690) 7.018 23.029 ( 2.781 0.000 2.542) 3.767 23.420 ( -2.219 0.000 0.726) 2.335 23.602 ( -9.511 0.000 -0.477) 9.523 23.826 ( -1.243 0.000 -4.399) 4.571 24.869 ( -3.660 0.000 8.063) 8.855 ======================= Grid point 3 (4/110) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.289 0.000 1.536) 1.562 0.912 ( 4.709 0.000 8.051) 9.327 1.179 ( 5.960 0.000 3.529) 6.927 1.227 ( -0.569 0.000 1.246) 1.370 1.324 ( -2.674 0.000 -2.147) 3.430 1.438 ( -2.925 0.000 -2.518) 3.860 1.460 ( 0.109 0.000 -0.240) 0.263 1.481 ( -3.779 0.000 -3.181) 4.940 1.607 ( 1.174 0.000 -1.115) 1.619 1.733 ( 5.925 0.000 -1.288) 6.063 1.848 ( -2.362 0.000 0.392) 2.394 1.893 ( 0.327 0.000 4.728) 4.740 1.945 ( 1.697 0.000 -0.057) 1.698 1.980 ( 0.162 0.000 -7.746) 7.747 2.076 ( -1.640 0.000 0.484) 1.710 2.383 ( 2.448 0.000 3.089) 3.942 2.522 ( 0.507 0.000 5.752) 5.774 2.577 ( 0.633 0.000 -1.102) 1.271 2.610 ( 0.610 0.000 -7.678) 7.702 2.885 ( -0.372 0.000 1.508) 1.553 2.935 ( 0.111 0.000 2.233) 2.236 3.032 ( 4.304 0.000 -0.923) 4.402 3.317 ( -0.378 0.000 -1.966) 2.002 3.550 ( 1.195 0.000 2.245) 2.543 3.584 ( 1.020 0.000 1.260) 1.621 3.624 ( -0.705 0.000 -1.033) 1.251 4.125 ( 3.120 0.000 2.281) 3.865 4.275 ( -0.756 0.000 1.147) 1.374 4.292 ( -2.495 0.000 3.870) 4.605 4.539 ( 0.218 0.000 1.019) 1.042 4.564 ( 3.509 0.000 -1.080) 3.671 4.870 ( 1.453 0.000 0.180) 1.464 4.927 ( 0.935 0.000 -3.284) 3.415 5.005 ( -4.095 0.000 -2.542) 4.819 5.017 ( 0.747 0.000 -2.777) 2.876 5.286 ( 1.906 0.000 0.575) 1.991 5.562 ( -1.250 0.000 -1.746) 2.148 5.640 ( 1.323 0.000 -2.455) 2.789 5.705 ( -5.997 0.000 -0.722) 6.040 5.936 ( -4.949 0.000 2.350) 5.478 6.173 ( -1.255 0.000 -0.185) 1.269 6.299 ( -1.063 0.000 2.449) 2.670 8.077 ( -1.780 0.000 -0.943) 2.015 8.444 ( -2.094 0.000 1.947) 2.860 9.036 ( 2.350 0.000 -2.648) 3.540 9.261 ( -1.756 0.000 -0.543) 1.838 9.511 ( 5.097 0.000 0.412) 5.113 9.524 ( 2.220 0.000 -0.107) 2.222 9.591 ( -3.720 0.000 1.580) 4.042 10.035 ( 5.139 0.000 2.194) 5.588 10.073 ( -0.652 0.000 -3.587) 3.646 10.263 ( -2.392 0.000 0.963) 2.578 10.998 ( 1.535 0.000 0.794) 1.728 11.134 ( 0.870 0.000 0.238) 0.902 11.497 ( 0.488 0.000 -0.497) 0.696 11.597 ( -0.561 0.000 0.101) 0.570 11.609 ( -1.966 0.000 -2.826) 3.443 11.997 ( -0.403 0.000 2.227) 2.263 12.312 ( 0.752 0.000 -2.343) 2.460 12.403 ( 2.294 0.000 17.374) 17.525 12.408 ( -0.530 0.000 1.749) 1.828 12.592 ( -3.357 0.000 -11.977) 12.439 20.321 ( 0.128 0.000 -1.124) 1.131 20.671 ( 2.154 0.000 -2.266) 3.127 20.793 ( -0.841 0.000 -0.244) 0.876 21.344 ( 0.658 0.000 0.217) 0.693 21.566 ( 5.923 0.000 1.879) 6.214 21.693 ( 0.268 0.000 -1.681) 1.702 21.779 ( 0.823 0.000 -1.199) 1.454 21.873 ( 5.632 0.000 0.003) 5.632 22.485 ( -5.682 0.000 -2.187) 6.088 22.760 ( 2.108 0.000 1.768) 2.751 23.019 ( 1.127 0.000 1.924) 2.230 23.089 ( 0.445 0.000 2.093) 2.139 23.383 ( -1.498 0.000 0.275) 1.523 23.475 ( -2.319 0.000 -0.244) 2.331 23.748 ( -2.412 0.000 -2.767) 3.671 24.869 ( -1.020 0.000 2.190) 2.416 ======================= Grid point 7 (5/110) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 0.000 18.520 0.000) 18.520 0.392 ( 0.000 18.654 0.000) 18.654 0.518 ( 0.000 24.580 0.000) 24.580 1.226 ( 0.000 0.206 0.000) 0.206 1.295 ( 0.000 -3.914 0.000) 3.914 1.389 ( 0.000 2.848 0.000) 2.848 1.475 ( 0.000 -0.722 0.000) 0.722 1.499 ( 0.000 2.299 0.000) 2.299 1.562 ( 0.000 -0.799 0.000) 0.799 1.659 ( 0.000 1.503 0.000) 1.503 1.844 ( 0.000 2.481 0.000) 2.481 1.978 ( 0.000 -5.022 0.000) 5.022 2.000 ( 0.000 -5.883 0.000) 5.883 2.187 ( 0.000 -1.278 0.000) 1.278 2.252 ( 0.000 0.535 0.000) 0.535 2.330 ( 0.000 -1.620 0.000) 1.620 2.372 ( 0.000 -3.571 0.000) 3.571 2.548 ( 0.000 -5.584 0.000) 5.584 2.574 ( 0.000 -3.096 0.000) 3.096 2.680 ( 0.000 8.994 0.000) 8.994 2.769 ( 0.000 0.370 0.000) 0.370 2.916 ( 0.000 3.006 0.000) 3.006 3.271 ( 0.000 1.604 0.000) 1.604 3.421 ( 0.000 -4.556 0.000) 4.556 3.491 ( 0.000 8.763 0.000) 8.763 3.642 ( 0.000 3.046 0.000) 3.046 3.659 ( 0.000 -3.766 0.000) 3.766 3.921 ( 0.000 -2.553 0.000) 2.553 4.093 ( 0.000 -6.082 0.000) 6.082 4.144 ( 0.000 -6.873 0.000) 6.873 4.624 ( 0.000 0.026 0.000) 0.026 4.638 ( 0.000 -1.585 0.000) 1.585 4.771 ( 0.000 0.273 0.000) 0.273 4.937 ( 0.000 2.681 0.000) 2.681 5.223 ( 0.000 -1.286 0.000) 1.286 5.339 ( 0.000 -6.916 0.000) 6.916 5.691 ( 0.000 -8.369 0.000) 8.369 5.856 ( 0.000 4.099 0.000) 4.099 6.179 ( 0.000 -2.531 0.000) 2.531 6.274 ( 0.000 -1.115 0.000) 1.115 6.281 ( 0.000 1.527 0.000) 1.527 6.403 ( 0.000 1.574 0.000) 1.574 8.549 ( 0.000 10.010 0.000) 10.010 8.602 ( 0.000 -5.351 0.000) 5.351 8.868 ( 0.000 3.202 0.000) 3.202 9.075 ( 0.000 -6.783 0.000) 6.783 9.231 ( 0.000 1.954 0.000) 1.954 9.506 ( 0.000 0.766 0.000) 0.766 9.663 ( 0.000 -0.455 0.000) 0.455 10.014 ( 0.000 7.301 0.000) 7.301 10.063 ( 0.000 -3.595 0.000) 3.595 10.136 ( 0.000 2.833 0.000) 2.833 10.983 ( 0.000 5.203 0.000) 5.203 11.049 ( 0.000 0.645 0.000) 0.645 11.441 ( 0.000 -3.086 0.000) 3.086 11.586 ( 0.000 -4.453 0.000) 4.453 11.606 ( 0.000 5.209 0.000) 5.209 11.854 ( 0.000 3.442 0.000) 3.442 11.991 ( 0.000 0.272 0.000) 0.272 12.391 ( 0.000 3.950 0.000) 3.950 12.795 ( 0.000 -3.416 0.000) 3.416 13.078 ( 0.000 -1.623 0.000) 1.623 20.286 ( 0.000 0.583 0.000) 0.583 20.422 ( 0.000 -1.030 0.000) 1.030 21.030 ( 0.000 -0.489 0.000) 0.489 21.169 ( 0.000 -1.160 0.000) 1.160 21.248 ( 0.000 -1.989 0.000) 1.989 21.556 ( 0.000 5.606 0.000) 5.606 21.679 ( 0.000 -5.013 0.000) 5.013 22.210 ( 0.000 0.934 0.000) 0.934 22.312 ( 0.000 2.075 0.000) 2.075 22.574 ( 0.000 -1.427 0.000) 1.427 23.042 ( 0.000 1.863 0.000) 1.863 23.431 ( 0.000 -1.767 0.000) 1.767 23.580 ( 0.000 1.352 0.000) 1.352 23.703 ( 0.000 -0.760 0.000) 0.760 23.913 ( 0.000 -0.159 0.000) 0.159 24.026 ( 0.000 -1.277 0.000) 1.277 ======================= Grid point 8 (6/110) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 8.356 11.819 5.211) 15.384 0.529 ( 7.314 12.485 12.531) 19.141 0.926 ( 23.557 10.496 7.374) 26.823 1.226 ( -0.045 2.486 1.174) 2.750 1.316 ( 0.071 -3.656 2.397) 4.372 1.382 ( 3.337 2.149 -2.191) 4.534 1.431 ( -1.849 -0.240 -3.731) 4.171 1.488 ( -0.753 1.957 0.900) 2.281 1.568 ( 0.698 -1.127 -0.995) 1.657 1.742 ( 6.874 -0.050 -0.295) 6.881 1.775 ( -2.198 2.273 -4.744) 5.702 1.944 ( -4.066 -4.475 -4.505) 7.540 2.004 ( -0.724 -2.232 2.315) 3.296 2.071 ( -1.987 0.239 1.079) 2.274 2.164 ( -3.737 3.874 -6.061) 8.106 2.278 ( 0.319 3.669 3.375) 4.995 2.460 ( 0.243 -2.839 -0.886) 2.984 2.539 ( -3.064 -0.354 -2.012) 3.683 2.603 ( 6.276 -5.913 -1.860) 8.822 2.697 ( 5.269 -1.406 0.632) 5.490 2.835 ( 4.094 1.960 -0.493) 4.565 2.956 ( 0.382 4.594 0.702) 4.663 3.389 ( -1.250 -6.191 -2.926) 6.961 3.433 ( 3.375 -5.629 5.879) 8.811 3.520 ( -1.105 1.788 3.776) 4.321 3.622 ( -2.064 -1.173 1.333) 2.723 3.791 ( 6.776 -3.580 -3.293) 8.341 4.054 ( 4.611 0.772 1.807) 5.013 4.153 ( 1.669 -6.264 3.977) 7.605 4.331 ( 18.704 -19.012 1.873) 26.736 4.550 ( -6.820 -2.184 8.830) 11.369 4.698 ( -6.087 -0.278 5.893) 8.477 4.822 ( 11.622 0.522 -6.176) 13.172 4.975 ( 2.168 1.836 1.745) 3.334 5.216 ( -1.177 -1.540 1.186) 2.273 5.402 ( 6.015 -4.836 -1.435) 7.850 5.500 ( -5.633 0.937 -11.550) 12.885 5.830 ( -1.266 3.216 -10.878) 11.414 6.069 ( -7.924 -1.794 -2.818) 8.599 6.228 ( -5.412 -2.461 1.358) 6.099 6.310 ( -0.259 1.380 4.769) 4.972 6.367 ( -9.434 0.896 8.171) 12.513 8.426 ( -7.241 11.805 -4.454) 14.547 8.564 ( -5.823 -2.232 5.963) 8.628 8.904 ( 6.255 0.683 -7.602) 9.868 9.182 ( 7.888 -5.319 2.171) 9.759 9.265 ( 2.279 0.979 3.459) 4.257 9.489 ( -0.899 2.170 0.365) 2.377 9.665 ( -0.779 0.807 1.764) 2.090 9.927 ( -2.267 4.466 -3.825) 6.302 10.157 ( 5.575 -4.781 1.605) 7.518 10.215 ( 5.023 1.980 -7.730) 9.429 10.961 ( -1.401 2.891 0.741) 3.297 11.085 ( 2.391 2.908 -0.949) 3.883 11.434 ( -0.898 -5.059 0.065) 5.138 11.581 ( -0.762 -2.597 1.334) 3.017 11.716 ( 3.991 -4.326 10.814) 12.312 11.836 ( -1.414 2.254 -1.186) 2.913 12.005 ( -2.183 0.086 7.937) 8.232 12.362 ( -1.578 1.584 -2.245) 3.168 12.754 ( -6.893 5.400 0.920) 8.805 12.831 ( -8.990 7.379 1.442) 11.720 20.346 ( 4.279 -1.923 -7.722) 9.035 20.467 ( 6.801 -3.222 -2.525) 7.938 20.940 ( -3.696 1.745 -1.902) 4.508 21.261 ( 2.175 0.407 1.370) 2.602 21.354 ( 10.349 -3.426 5.176) 12.068 21.494 ( 0.046 12.767 -7.015) 14.567 21.718 ( 4.404 -3.320 -2.001) 5.867 21.858 ( -0.569 9.852 -20.098) 22.390 22.554 ( 1.052 -4.438 7.238) 8.555 22.698 ( 6.243 -5.025 11.121) 13.708 22.952 ( -6.853 2.141 -3.732) 8.092 23.134 ( -8.640 7.445 -4.709) 12.339 23.475 ( -1.597 3.037 0.817) 3.527 23.756 ( -3.081 -0.884 2.697) 4.189 23.855 ( -2.615 -1.237 -3.987) 4.926 24.544 ( 8.615 -20.029 22.034) 30.998 ======================= Grid point 9 (7/110) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 7.732 6.526 12.606) 16.164 0.797 ( 9.338 7.278 8.701) 14.693 1.174 ( -3.271 3.602 1.833) 5.200 1.269 ( 1.004 2.093 -0.781) 2.449 1.333 ( 4.464 -3.828 0.105) 5.882 1.364 ( 0.394 -1.310 -3.262) 3.537 1.457 ( -3.645 -1.746 2.765) 4.897 1.553 ( 1.421 -0.015 -5.769) 5.941 1.593 ( 11.801 3.942 0.671) 12.460 1.674 ( -2.229 0.662 -3.330) 4.062 1.852 ( 3.578 -1.946 -1.573) 4.366 1.868 ( -0.496 -0.472 0.199) 0.713 1.972 ( -3.408 -0.047 0.746) 3.489 2.060 ( -2.992 -1.556 1.528) 3.703 2.100 ( 2.724 6.159 -7.553) 10.119 2.326 ( 0.007 1.886 7.371) 7.608 2.445 ( -0.527 -0.411 -2.201) 2.300 2.507 ( 1.121 -4.565 3.253) 5.717 2.645 ( 2.327 -2.783 -5.751) 6.800 2.814 ( 4.112 -2.897 -0.041) 5.030 2.896 ( 3.558 1.866 0.661) 4.072 3.001 ( 2.357 3.980 1.832) 4.975 3.312 ( -2.002 -6.548 -4.862) 8.398 3.521 ( 1.373 2.134 3.627) 4.427 3.534 ( 1.153 -1.517 -0.546) 1.982 3.601 ( -1.367 -3.449 2.831) 4.667 3.931 ( 8.639 -6.022 0.026) 10.531 4.171 ( 5.140 -3.113 3.889) 7.158 4.207 ( 0.367 -4.408 4.373) 6.219 4.494 ( -3.934 -3.157 3.567) 6.178 4.581 ( -2.855 -5.058 3.185) 6.624 4.649 ( 7.596 -2.975 -2.157) 8.438 4.956 ( 3.572 0.155 -1.200) 3.771 5.023 ( 1.870 1.084 0.888) 2.337 5.206 ( 0.456 -2.111 -1.527) 2.645 5.320 ( -3.063 8.852 -6.823) 11.589 5.538 ( 8.723 -4.924 -4.773) 11.096 5.665 ( -5.615 0.462 -7.701) 9.542 5.882 ( -8.332 0.203 -1.914) 8.552 6.068 ( -12.384 -1.781 3.171) 12.907 6.229 ( -6.039 0.937 1.220) 6.232 6.356 ( -1.206 3.629 5.488) 6.689 8.264 ( -5.427 10.168 -3.280) 11.983 8.509 ( -4.659 1.517 5.447) 7.326 8.946 ( 4.328 -2.930 -7.082) 8.802 9.303 ( 1.127 0.674 1.561) 2.040 9.379 ( 6.890 -3.032 1.914) 7.767 9.500 ( 2.839 3.277 -1.073) 4.467 9.659 ( -2.373 2.480 3.611) 4.982 9.919 ( 3.150 1.348 0.682) 3.494 10.174 ( 0.368 2.782 -9.249) 9.665 10.261 ( 1.443 -1.166 4.383) 4.760 10.951 ( 0.063 -0.030 0.329) 0.336 11.117 ( 1.285 1.805 0.216) 2.226 11.408 ( -1.523 -6.649 -0.750) 6.862 11.575 ( -1.481 -2.624 2.223) 3.744 11.772 ( -0.871 4.346 -6.115) 7.553 11.896 ( 5.148 -6.602 6.217) 10.428 12.050 ( -2.561 -2.649 13.400) 13.897 12.313 ( -0.761 -2.281 -3.290) 4.075 12.649 ( -5.748 12.862 6.587) 15.552 12.752 ( -0.902 1.461 -6.036) 6.275 20.336 ( 0.744 -0.057 -3.275) 3.360 20.570 ( 5.945 -4.255 -3.728) 8.207 20.877 ( -1.783 3.715 -0.997) 4.240 21.321 ( 1.322 -0.486 2.811) 3.144 21.482 ( 4.356 6.344 -3.909) 8.632 21.607 ( 10.217 -1.226 2.558) 10.604 21.746 ( 2.343 0.884 -10.204) 10.507 21.830 ( 6.358 5.224 0.513) 8.244 22.622 ( 0.268 -2.467 1.694) 3.005 22.751 ( -6.602 3.754 -2.202) 7.908 22.889 ( 4.158 -4.040 7.198) 9.243 23.056 ( -0.278 1.143 0.710) 1.374 23.438 ( -2.857 1.755 0.293) 3.366 23.630 ( -8.542 2.685 0.152) 8.955 23.797 ( -1.392 -2.685 -3.789) 4.848 24.732 ( 0.385 -11.922 9.021) 14.955 ======================= Grid point 10 (8/110) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 2.419 6.385 5.095) 8.519 0.985 ( 3.108 5.807 4.980) 8.257 1.124 ( 0.337 -1.493 1.505) 2.147 1.262 ( 0.934 1.927 -0.735) 2.264 1.328 ( -0.604 -0.338 -3.403) 3.473 1.389 ( -4.455 -1.983 1.573) 5.124 1.420 ( 2.378 -3.433 -0.902) 4.273 1.507 ( -0.781 1.573 -4.031) 4.397 1.600 ( 0.542 -0.526 -1.355) 1.551 1.790 ( 0.726 1.974 2.835) 3.530 1.859 ( 1.416 1.000 -2.448) 3.000 1.904 ( 1.887 0.579 4.203) 4.644 1.943 ( 0.770 -0.038 -0.545) 0.944 2.014 ( -2.293 -0.487 0.753) 2.462 2.051 ( -1.007 2.454 -7.016) 7.501 2.395 ( 1.306 -0.669 2.505) 2.903 2.413 ( -0.216 -6.170 -1.610) 6.381 2.592 ( -0.139 1.564 8.118) 8.269 2.638 ( 3.263 1.324 -7.030) 7.863 2.856 ( 1.202 -2.004 -0.278) 2.353 2.947 ( -0.672 0.166 2.911) 2.993 3.062 ( 3.274 2.571 -1.400) 4.392 3.260 ( -0.428 -5.126 -1.601) 5.388 3.538 ( 0.439 -2.867 -0.752) 2.996 3.568 ( 1.267 -1.485 0.541) 2.025 3.603 ( -1.062 -0.951 1.804) 2.299 4.099 ( 7.936 -4.937 0.595) 9.365 4.213 ( -2.645 -5.419 3.502) 6.973 4.300 ( 3.071 -1.649 4.127) 5.402 4.422 ( -6.902 -2.220 -1.673) 7.441 4.504 ( -0.275 -4.420 -0.486) 4.456 4.810 ( 9.258 -3.314 -4.058) 10.638 4.928 ( -6.195 -2.264 3.365) 7.404 5.064 ( 1.670 2.947 -0.135) 3.390 5.181 ( 0.157 9.980 -5.021) 11.173 5.288 ( 1.875 1.675 -0.309) 2.533 5.513 ( -4.550 -1.800 -1.316) 5.067 5.640 ( 3.491 -1.885 -2.170) 4.522 5.761 ( -1.703 4.041 -1.531) 4.644 5.889 ( -7.312 -1.896 2.626) 7.997 6.154 ( -2.226 -1.626 0.129) 2.759 6.371 ( -0.566 4.958 2.011) 5.380 8.173 ( -1.923 9.338 -1.171) 9.605 8.484 ( -1.568 3.869 2.274) 4.754 8.946 ( 0.801 -5.986 -2.881) 6.691 9.310 ( -0.020 3.046 -0.099) 3.048 9.493 ( 2.993 -2.730 0.422) 4.073 9.558 ( 3.604 2.391 -1.566) 4.600 9.636 ( -2.965 5.169 3.230) 6.778 10.017 ( 3.717 -1.691 1.729) 4.435 10.107 ( -0.572 3.137 -3.453) 4.700 10.285 ( -1.047 1.856 1.117) 2.406 10.973 ( 1.365 -2.372 0.416) 2.768 11.130 ( -0.199 -1.444 0.283) 1.485 11.368 ( -1.341 -7.289 -0.687) 7.443 11.567 ( -0.844 -2.720 1.229) 3.102 11.713 ( -0.673 5.645 -2.522) 6.219 11.994 ( 2.183 0.010 -0.078) 2.185 12.143 ( 0.553 -7.760 9.253) 12.089 12.273 ( -0.555 -6.486 -2.958) 7.150 12.625 ( -2.720 9.106 5.419) 10.940 12.682 ( 0.065 6.417 -6.262) 8.967 20.327 ( 0.218 0.540 -0.968) 1.130 20.624 ( 1.939 -3.984 -1.326) 4.625 20.849 ( -0.587 4.657 -0.373) 4.709 21.349 ( 0.233 0.307 0.768) 0.860 21.538 ( 2.291 -2.220 -0.678) 3.262 21.700 ( 0.741 0.221 -3.218) 3.310 21.820 ( 7.354 3.748 4.020) 9.181 21.926 ( 1.891 5.432 -3.037) 6.505 22.515 ( -4.615 2.461 -2.196) 5.673 22.761 ( 1.761 0.221 2.085) 2.738 22.989 ( 1.628 -2.477 2.176) 3.677 23.070 ( -0.373 -1.965 1.529) 2.518 23.384 ( -1.947 0.344 -0.187) 1.986 23.528 ( -1.573 4.603 0.198) 4.868 23.718 ( -2.737 -2.657 -2.488) 4.554 24.778 ( -0.168 -8.521 2.494) 8.880 ======================= Grid point 14 (9/110) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 15.785 0.000) 15.785 0.736 ( 0.000 16.037 0.000) 16.037 0.954 ( 0.000 17.512 0.000) 17.512 1.197 ( 0.000 -1.972 0.000) 1.972 1.269 ( 0.000 1.022 0.000) 1.022 1.377 ( 0.000 -3.299 0.000) 3.299 1.517 ( 0.000 3.624 0.000) 3.624 1.562 ( 0.000 1.178 0.000) 1.178 1.562 ( 0.000 4.244 0.000) 4.244 1.677 ( 0.000 -0.075 0.000) 0.075 1.832 ( 0.000 -6.027 0.000) 6.027 1.862 ( 0.000 -6.385 0.000) 6.385 1.923 ( 0.000 0.864 0.000) 0.864 2.127 ( 0.000 -3.503 0.000) 3.503 2.151 ( 0.000 -6.535 0.000) 6.535 2.343 ( 0.000 -2.179 0.000) 2.179 2.356 ( 0.000 2.228 0.000) 2.228 2.477 ( 0.000 -1.639 0.000) 1.639 2.510 ( 0.000 -1.908 0.000) 1.908 2.802 ( 0.000 2.227 0.000) 2.227 2.813 ( 0.000 3.898 0.000) 3.898 2.935 ( 0.000 -1.101 0.000) 1.101 3.261 ( 0.000 -8.999 0.000) 8.999 3.334 ( 0.000 2.153 0.000) 2.153 3.575 ( 0.000 -4.287 0.000) 4.287 3.694 ( 0.000 1.950 0.000) 1.950 3.704 ( 0.000 10.694 0.000) 10.694 3.821 ( 0.000 -7.549 0.000) 7.549 3.972 ( 0.000 -4.431 0.000) 4.431 4.008 ( 0.000 -4.893 0.000) 4.893 4.606 ( 0.000 -1.365 0.000) 1.365 4.625 ( 0.000 0.041 0.000) 0.041 4.777 ( 0.000 0.513 0.000) 0.513 4.971 ( 0.000 -0.221 0.000) 0.221 5.188 ( 0.000 -1.961 0.000) 1.961 5.210 ( 0.000 -4.862 0.000) 4.862 5.535 ( 0.000 -5.516 0.000) 5.516 5.938 ( 0.000 3.506 0.000) 3.506 6.110 ( 0.000 -4.724 0.000) 4.724 6.259 ( 0.000 -0.415 0.000) 0.415 6.296 ( 0.000 0.217 0.000) 0.217 6.391 ( 0.000 -2.856 0.000) 2.856 8.495 ( 0.000 -4.225 0.000) 4.225 8.800 ( 0.000 13.519 0.000) 13.519 8.885 ( 0.000 -8.572 0.000) 8.572 8.963 ( 0.000 3.058 0.000) 3.058 9.282 ( 0.000 3.069 0.000) 3.069 9.529 ( 0.000 1.417 0.000) 1.417 9.649 ( 0.000 -0.859 0.000) 0.859 9.946 ( 0.000 -7.367 0.000) 7.367 10.201 ( 0.000 10.481 0.000) 10.481 10.240 ( 0.000 6.630 0.000) 6.630 11.071 ( 0.000 1.673 0.000) 1.673 11.081 ( 0.000 3.999 0.000) 3.999 11.379 ( 0.000 -3.230 0.000) 3.230 11.566 ( 0.000 1.909 0.000) 1.909 11.713 ( 0.000 5.088 0.000) 5.088 11.801 ( 0.000 -6.729 0.000) 6.729 12.060 ( 0.000 5.439 0.000) 5.439 12.511 ( 0.000 7.586 0.000) 7.586 12.693 ( 0.000 -6.682 0.000) 6.682 13.029 ( 0.000 -3.283 0.000) 3.283 20.300 ( 0.000 0.751 0.000) 0.751 20.394 ( 0.000 -1.643 0.000) 1.643 21.019 ( 0.000 -0.532 0.000) 0.532 21.118 ( 0.000 -3.300 0.000) 3.300 21.238 ( 0.000 0.843 0.000) 0.843 21.557 ( 0.000 -6.515 0.000) 6.515 21.696 ( 0.000 7.996 0.000) 7.996 22.213 ( 0.000 -1.055 0.000) 1.055 22.363 ( 0.000 2.705 0.000) 2.705 22.535 ( 0.000 -2.229 0.000) 2.229 23.096 ( 0.000 3.488 0.000) 3.488 23.389 ( 0.000 -2.414 0.000) 2.414 23.605 ( 0.000 1.063 0.000) 1.063 23.683 ( 0.000 -1.214 0.000) 1.214 23.911 ( 0.000 0.004 0.000) 0.004 23.994 ( 0.000 -1.746 0.000) 1.746 ======================= Grid point 15 (10/110) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 3.928 12.801 -0.075) 13.391 0.805 ( 2.719 13.706 9.245) 16.755 1.130 ( 7.018 4.992 4.389) 9.667 1.226 ( 1.580 1.985 3.356) 4.207 1.292 ( 0.974 1.079 0.943) 1.732 1.391 ( 3.319 -1.038 -1.302) 3.713 1.460 ( -1.316 2.069 -3.076) 3.934 1.553 ( -0.254 3.773 -0.287) 3.793 1.580 ( 2.058 2.931 -1.326) 3.819 1.734 ( 4.037 -1.142 0.357) 4.210 1.771 ( -1.729 -2.465 -1.100) 3.205 1.830 ( -1.360 -5.949 -4.648) 7.671 1.976 ( 0.717 -1.273 0.072) 1.463 2.042 ( -2.643 -1.726 1.027) 3.320 2.150 ( -2.130 -4.929 1.208) 5.504 2.320 ( 1.591 0.446 -0.969) 1.915 2.429 ( 2.000 1.070 1.823) 2.910 2.521 ( -0.560 -0.754 -2.093) 2.294 2.567 ( 7.589 -1.553 0.899) 7.798 2.708 ( -2.137 3.390 -4.188) 5.797 2.904 ( 5.784 3.482 -1.590) 6.936 2.990 ( 1.339 -1.248 1.533) 2.387 3.205 ( -2.329 -11.265 -3.990) 12.175 3.274 ( -0.483 -6.027 3.429) 6.951 3.589 ( -1.436 -0.540 3.559) 3.875 3.629 ( -2.138 4.421 -2.576) 5.546 3.783 ( 3.492 2.096 -3.370) 5.286 3.989 ( 4.972 -9.849 2.193) 11.249 4.042 ( 3.962 -3.947 1.824) 5.882 4.118 ( 16.772 -1.635 4.994) 17.576 4.515 ( -7.786 -1.043 6.876) 10.440 4.689 ( -3.594 -0.618 7.239) 8.106 4.840 ( 10.026 1.092 -5.025) 11.268 4.986 ( 0.535 -0.991 0.769) 1.364 5.185 ( 0.062 -1.447 -1.325) 1.963 5.259 ( 6.962 -6.984 -2.890) 10.276 5.485 ( -2.311 -1.242 -2.876) 3.893 5.887 ( -2.903 2.656 -7.484) 8.455 6.028 ( -5.680 -2.769 -4.775) 7.920 6.199 ( -5.654 -0.589 -0.411) 5.699 6.322 ( 1.131 -0.509 5.520) 5.658 6.358 ( -5.983 -1.786 3.458) 7.137 8.510 ( -0.237 -2.277 3.378) 4.081 8.687 ( -5.884 12.548 -5.977) 15.093 8.952 ( 0.970 3.657 -3.773) 5.343 9.023 ( 9.536 -8.857 3.189) 13.400 9.315 ( 1.849 3.671 2.503) 4.813 9.529 ( 0.249 1.893 -0.092) 1.912 9.673 ( -0.052 -0.013 4.517) 4.517 9.959 ( 1.465 -4.483 -3.366) 5.794 10.128 ( -1.610 5.252 2.532) 6.049 10.313 ( 2.428 6.803 -1.617) 7.402 10.993 ( -4.542 0.308 2.382) 5.138 11.181 ( 5.796 5.395 -2.878) 8.425 11.324 ( -5.332 -5.521 1.024) 7.743 11.548 ( -1.340 0.752 -0.113) 1.541 11.739 ( -0.084 2.996 6.797) 7.429 11.809 ( 0.503 -4.435 0.181) 4.467 12.061 ( 0.462 4.829 -0.957) 4.945 12.411 ( -5.895 2.625 -3.664) 7.421 12.740 ( 3.453 -1.722 -1.209) 4.044 12.937 ( -8.192 1.237 2.366) 8.616 20.327 ( 3.024 -0.201 -3.571) 4.684 20.417 ( 2.784 -2.188 0.184) 3.546 20.970 ( -1.489 1.576 -0.384) 2.202 21.233 ( 1.635 -3.917 6.789) 8.007 21.314 ( 10.083 0.586 -1.318) 10.186 21.617 ( 7.936 -5.364 -4.920) 10.768 21.692 ( 1.187 7.803 -2.186) 8.190 22.035 ( -3.111 6.030 -15.172) 16.620 22.489 ( 2.309 -1.656 8.206) 8.684 22.625 ( 5.782 -3.046 7.304) 9.801 23.008 ( -5.845 3.366 -4.421) 8.065 23.209 ( -8.713 0.879 -7.285) 11.392 23.553 ( -2.592 4.063 -0.288) 4.829 23.726 ( 1.355 -1.898 2.218) 3.218 23.844 ( -5.951 0.481 -1.130) 6.077 24.239 ( 8.796 -11.052 15.232) 20.773 ======================= Grid point 16 (11/110) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 6.453 7.983 7.848) 12.921 0.966 ( 4.352 9.432 8.836) 13.637 1.224 ( 1.557 -1.737 -0.456) 2.377 1.272 ( 1.806 -0.790 1.668) 2.583 1.297 ( 0.330 1.479 -3.649) 3.951 1.373 ( 0.940 2.746 -4.159) 5.072 1.470 ( -4.953 2.251 3.559) 6.501 1.565 ( 0.483 1.432 -5.638) 5.837 1.619 ( 2.948 -0.618 -1.399) 3.321 1.700 ( 1.704 1.952 0.032) 2.591 1.803 ( 0.588 -5.281 1.091) 5.425 1.830 ( 3.660 -1.158 -0.651) 3.894 1.965 ( -1.093 -0.376 0.625) 1.314 2.007 ( -3.211 -1.880 1.411) 3.979 2.195 ( 2.997 -3.202 2.412) 5.005 2.313 ( -0.175 1.486 -4.195) 4.454 2.447 ( -2.799 1.360 -3.483) 4.670 2.507 ( 3.102 2.860 7.193) 8.339 2.653 ( 1.771 4.341 -2.184) 5.172 2.741 ( 6.790 -4.075 -1.630) 8.085 2.935 ( -0.676 0.907 -0.482) 1.230 3.038 ( 3.485 -0.848 0.030) 3.587 3.145 ( 0.295 -9.494 -4.033) 10.319 3.382 ( 4.133 -9.805 3.178) 11.105 3.566 ( -3.033 -0.715 0.987) 3.268 3.584 ( 0.029 2.005 0.452) 2.056 3.819 ( 3.892 -2.503 -3.078) 5.558 4.053 ( 0.331 -8.006 2.964) 8.543 4.192 ( 9.026 2.459 3.035) 9.835 4.422 ( -5.460 -3.497 1.574) 6.673 4.467 ( 12.276 -4.628 3.454) 13.566 4.650 ( -5.567 0.059 3.886) 6.789 4.962 ( 1.260 0.735 1.237) 1.913 5.019 ( 3.776 -0.766 0.892) 3.955 5.178 ( 3.182 -1.798 -5.214) 6.367 5.394 ( 6.480 -3.947 -5.614) 9.438 5.446 ( 2.562 0.093 -0.237) 2.575 5.707 ( -7.312 3.435 -7.135) 10.779 5.881 ( -4.746 -0.685 -3.088) 5.703 6.053 ( -9.365 0.349 1.546) 9.499 6.240 ( -7.603 -0.115 1.819) 7.819 6.397 ( 1.459 0.304 4.055) 4.320 8.510 ( -4.086 9.675 -1.578) 10.621 8.559 ( -1.052 6.601 1.677) 6.892 8.924 ( 0.052 0.984 -5.499) 5.586 9.244 ( 9.211 -8.197 2.558) 12.593 9.358 ( 0.767 3.105 1.203) 3.417 9.555 ( 3.585 2.004 -2.649) 4.887 9.719 ( -0.504 2.900 7.449) 8.009 9.947 ( 0.446 0.918 -0.359) 1.082 10.192 ( 5.150 -1.257 -2.042) 5.680 10.296 ( -2.356 5.771 0.912) 6.300 10.932 ( -3.530 -2.555 1.071) 4.487 11.144 ( -6.614 -2.880 -1.694) 7.410 11.301 ( 1.978 -0.124 0.318) 2.007 11.525 ( -1.569 -1.148 1.286) 2.331 11.797 ( -0.209 -0.835 1.481) 1.713 11.854 ( 4.086 0.271 5.317) 6.710 12.061 ( -0.638 2.696 1.561) 3.180 12.279 ( -3.792 -0.708 -4.813) 6.168 12.772 ( 1.422 0.669 -3.554) 3.886 12.825 ( -5.436 4.798 4.002) 8.282 20.338 ( 1.171 0.282 -2.188) 2.498 20.486 ( 3.850 -3.972 -0.991) 5.620 20.958 ( -0.197 4.307 0.293) 4.321 21.296 ( 0.310 -2.050 5.757) 6.119 21.489 ( 5.659 -1.487 -1.250) 5.983 21.687 ( 7.233 -0.043 -13.331) 15.167 21.749 ( 5.408 4.218 -1.032) 6.936 21.967 ( 5.523 7.243 -1.380) 9.212 22.590 ( 2.874 -0.596 2.431) 3.812 22.807 ( 1.806 -3.010 6.082) 7.022 22.834 ( -3.588 3.362 -2.207) 5.390 23.058 ( -3.265 -0.846 -1.379) 3.644 23.482 ( -4.277 2.469 -0.812) 5.005 23.697 ( -6.708 1.964 -1.399) 7.128 23.741 ( -1.605 -0.535 0.525) 1.771 24.464 ( 3.557 -13.518 9.226) 16.748 ======================= Grid point 17 (12/110) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 3.155 6.465 9.470) 11.892 1.075 ( 1.207 4.717 2.863) 5.649 1.182 ( -2.142 4.199 -2.454) 5.314 1.278 ( -1.656 -2.250 -5.678) 6.328 1.312 ( 4.545 0.713 -1.912) 4.982 1.360 ( 2.147 0.469 -1.356) 2.582 1.401 ( -4.326 0.869 0.715) 4.469 1.549 ( 0.567 3.347 -0.076) 3.395 1.606 ( 0.429 1.851 -0.811) 2.066 1.792 ( 3.050 -3.096 -0.897) 4.437 1.817 ( -0.356 -5.108 2.952) 5.911 1.873 ( -2.330 -2.789 1.491) 3.929 1.922 ( 0.250 -0.170 -0.089) 0.315 1.984 ( -0.838 0.716 0.558) 1.236 2.222 ( 0.640 8.036 -3.922) 8.965 2.300 ( 0.846 -3.333 1.144) 3.624 2.376 ( -1.512 0.317 -2.326) 2.792 2.638 ( 1.758 0.996 6.893) 7.183 2.688 ( 2.899 4.056 -2.628) 5.636 2.822 ( 4.136 -1.867 -2.735) 5.299 2.911 ( -2.968 -3.590 3.006) 5.543 3.093 ( 2.144 -1.180 -0.916) 2.613 3.124 ( -0.273 -7.660 -1.659) 7.842 3.418 ( 0.648 -7.811 -1.379) 7.958 3.526 ( -1.624 -2.244 0.929) 2.921 3.613 ( 0.373 1.313 0.738) 1.551 3.924 ( 7.287 -8.757 0.221) 11.394 4.063 ( -1.726 -7.764 2.127) 8.233 4.324 ( -1.414 1.079 2.572) 3.127 4.395 ( 4.802 -1.642 -1.650) 5.336 4.504 ( -7.383 4.467 2.118) 8.885 4.672 ( 5.493 -7.663 -1.641) 9.570 4.954 ( -1.833 3.366 1.573) 4.143 5.093 ( 2.165 0.188 0.468) 2.223 5.231 ( 6.822 -1.724 -5.377) 8.855 5.339 ( -6.157 -0.229 0.327) 6.170 5.558 ( 0.896 0.067 2.186) 2.364 5.575 ( 2.172 2.168 -5.113) 5.964 5.816 ( 0.323 0.354 -1.794) 1.857 5.906 ( -6.686 2.455 2.185) 7.450 6.132 ( -3.739 0.483 0.387) 3.790 6.438 ( 0.322 1.152 1.491) 1.911 8.426 ( -1.803 14.658 -1.347) 14.830 8.591 ( 0.632 6.463 2.506) 6.960 8.863 ( -1.410 -1.721 -3.191) 3.890 9.368 ( 1.767 1.027 0.875) 2.223 9.395 ( 2.351 -5.362 -0.057) 5.855 9.595 ( 2.126 1.401 -1.621) 3.018 9.769 ( -0.347 6.976 4.364) 8.236 9.978 ( 1.612 -1.680 0.628) 2.412 10.189 ( -0.489 4.683 -3.601) 5.927 10.323 ( 1.480 1.824 2.333) 3.311 10.896 ( 0.114 -5.696 -0.139) 5.698 11.001 ( -6.177 -10.541 0.173) 12.219 11.333 ( 1.150 3.593 -0.390) 3.792 11.510 ( -0.949 -2.072 0.868) 2.438 11.794 ( 0.060 2.464 -0.572) 2.531 11.998 ( 5.892 0.028 1.518) 6.085 12.069 ( -2.245 -0.398 7.751) 8.079 12.168 ( -2.729 -3.369 -7.052) 8.278 12.736 ( -1.345 2.975 -0.792) 3.360 12.805 ( -0.288 4.642 0.613) 4.691 20.340 ( 0.368 0.747 -0.691) 1.082 20.531 ( 1.402 -4.848 -0.496) 5.071 20.958 ( -0.087 5.999 0.141) 6.001 21.349 ( 0.419 -0.407 3.823) 3.868 21.501 ( 0.080 -1.127 -3.217) 3.410 21.671 ( 1.573 -3.497 -5.606) 6.792 21.907 ( 7.158 5.026 2.314) 9.047 22.083 ( 3.502 8.683 -1.057) 9.422 22.564 ( -2.969 2.347 -2.667) 4.630 22.777 ( 0.691 1.495 2.717) 3.177 22.940 ( 2.942 -2.273 1.579) 4.039 23.014 ( -2.150 -3.426 1.288) 4.245 23.402 ( -2.363 1.426 -0.635) 2.832 23.618 ( 0.243 0.511 -1.096) 1.233 23.678 ( -4.304 2.642 -0.087) 5.050 24.555 ( 0.827 -12.954 2.867) 13.293 ======================= Grid point 21 (13/110) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 10.344 0.000) 10.344 1.018 ( 0.000 10.348 0.000) 10.348 1.119 ( 0.000 0.608 0.000) 0.608 1.216 ( 0.000 0.337 0.000) 0.337 1.328 ( 0.000 -0.243 0.000) 0.243 1.330 ( 0.000 5.770 0.000) 5.770 1.554 ( 0.000 1.110 0.000) 1.110 1.614 ( 0.000 2.214 0.000) 2.214 1.627 ( 0.000 -1.798 0.000) 1.798 1.653 ( 0.000 -2.047 0.000) 2.047 1.744 ( 0.000 -3.977 0.000) 3.977 1.754 ( 0.000 2.207 0.000) 2.207 1.922 ( 0.000 -1.418 0.000) 1.418 2.056 ( 0.000 -3.361 0.000) 3.361 2.100 ( 0.000 1.834 0.000) 1.834 2.293 ( 0.000 -3.162 0.000) 3.162 2.397 ( 0.000 3.522 0.000) 3.522 2.431 ( 0.000 -2.070 0.000) 2.070 2.510 ( 0.000 0.025 0.000) 0.025 2.788 ( 0.000 -1.784 0.000) 1.784 2.818 ( 0.000 -9.511 0.000) 9.511 2.880 ( 0.000 -3.878 0.000) 3.878 3.111 ( 0.000 1.829 0.000) 1.829 3.420 ( 0.000 5.321 0.000) 5.321 3.463 ( 0.000 -7.788 0.000) 7.788 3.654 ( 0.000 -7.053 0.000) 7.053 3.740 ( 0.000 3.237 0.000) 3.237 3.860 ( 0.000 2.001 0.000) 2.001 3.929 ( 0.000 0.752 0.000) 0.752 3.965 ( 0.000 -0.336 0.000) 0.336 4.590 ( 0.000 -0.233 0.000) 0.233 4.619 ( 0.000 -0.760 0.000) 0.760 4.801 ( 0.000 2.033 0.000) 2.033 4.926 ( 0.000 -3.412 0.000) 3.412 5.151 ( 0.000 -1.602 0.000) 1.602 5.153 ( 0.000 -1.406 0.000) 1.406 5.518 ( 0.000 4.419 0.000) 4.419 5.911 ( 0.000 -8.620 0.000) 8.620 6.062 ( 0.000 2.693 0.000) 2.693 6.243 ( 0.000 -2.330 0.000) 2.330 6.299 ( 0.000 0.041 0.000) 0.041 6.314 ( 0.000 -3.182 0.000) 3.182 8.459 ( 0.000 0.937 0.000) 0.937 8.690 ( 0.000 -9.365 0.000) 9.365 9.027 ( 0.000 7.545 0.000) 7.545 9.043 ( 0.000 3.602 0.000) 3.602 9.374 ( 0.000 6.944 0.000) 6.944 9.560 ( 0.000 1.576 0.000) 1.576 9.629 ( 0.000 -1.132 0.000) 1.132 9.775 ( 0.000 -9.471 0.000) 9.471 10.377 ( 0.000 6.292 0.000) 6.292 10.393 ( 0.000 7.392 0.000) 7.392 11.131 ( 0.000 4.909 0.000) 4.909 11.151 ( 0.000 3.361 0.000) 3.361 11.310 ( 0.000 -3.460 0.000) 3.460 11.523 ( 0.000 -9.246 0.000) 9.246 11.738 ( 0.000 3.004 0.000) 3.004 11.794 ( 0.000 2.526 0.000) 2.526 12.185 ( 0.000 7.067 0.000) 7.067 12.533 ( 0.000 -8.991 0.000) 8.991 12.673 ( 0.000 8.115 0.000) 8.115 12.946 ( 0.000 -5.062 0.000) 5.062 20.315 ( 0.000 0.768 0.000) 0.768 20.360 ( 0.000 -1.576 0.000) 1.576 21.012 ( 0.000 -0.003 0.000) 0.003 21.058 ( 0.000 -2.487 0.000) 2.487 21.271 ( 0.000 2.397 0.000) 2.397 21.433 ( 0.000 -5.677 0.000) 5.677 21.866 ( 0.000 8.687 0.000) 8.687 22.157 ( 0.000 -4.613 0.000) 4.613 22.413 ( 0.000 2.242 0.000) 2.242 22.491 ( 0.000 -2.043 0.000) 2.043 23.176 ( 0.000 4.297 0.000) 4.297 23.333 ( 0.000 -3.158 0.000) 3.158 23.622 ( 0.000 0.694 0.000) 0.694 23.658 ( 0.000 -1.198 0.000) 1.198 23.916 ( 0.000 0.532 0.000) 0.532 23.960 ( 0.000 -1.571 0.000) 1.571 ======================= Grid point 22 (14/110) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.024 10.759 -0.307) 10.763 1.041 ( 2.104 8.867 3.002) 9.595 1.158 ( 2.819 1.081 1.684) 3.457 1.228 ( -0.622 -2.040 2.455) 3.252 1.355 ( 2.902 0.201 -1.533) 3.288 1.397 ( 0.630 3.896 6.006) 7.187 1.469 ( -4.382 -2.162 -3.331) 5.914 1.603 ( 0.924 1.301 -3.082) 3.471 1.617 ( 1.589 -2.506 2.152) 3.666 1.701 ( -2.817 -1.366 -0.541) 3.177 1.728 ( 5.141 -0.126 -1.832) 5.459 1.788 ( 1.020 1.935 -0.642) 2.280 1.946 ( 2.146 1.045 2.702) 3.605 2.047 ( -2.457 1.083 -0.809) 2.804 2.063 ( -1.791 -2.235 -1.752) 3.358 2.301 ( 3.572 -2.862 -1.526) 4.825 2.409 ( 0.032 -2.682 4.005) 4.820 2.517 ( 2.011 0.556 1.578) 2.617 2.552 ( 6.213 -0.029 -0.867) 6.273 2.756 ( 0.351 -1.037 -2.296) 2.544 2.883 ( 2.658 -8.068 2.094) 8.749 2.922 ( 2.494 -4.487 1.079) 5.246 3.048 ( -3.094 1.881 -2.591) 4.452 3.229 ( -5.937 -0.485 -2.169) 6.339 3.578 ( 1.562 -0.042 -0.328) 1.597 3.665 ( -0.073 -2.838 -3.566) 4.558 3.828 ( 2.447 0.326 -4.977) 5.555 3.841 ( 5.966 0.295 0.948) 6.048 4.016 ( 7.329 0.150 3.094) 7.957 4.093 ( 10.898 -2.022 4.604) 12.002 4.526 ( -7.383 2.390 5.800) 9.688 4.666 ( -2.388 -1.998 7.485) 8.107 4.865 ( 8.570 1.624 -4.033) 9.610 4.956 ( 2.460 -1.773 -1.023) 3.200 5.135 ( 0.297 -4.060 -3.114) 5.125 5.141 ( 1.808 -3.670 -2.069) 4.584 5.527 ( 0.284 5.812 0.838) 5.879 5.870 ( -3.400 -6.416 -1.214) 7.363 6.005 ( -2.580 2.749 -8.287) 9.105 6.179 ( -3.997 -2.427 -3.826) 6.042 6.303 ( -3.031 -0.843 6.910) 7.593 6.314 ( -0.588 -1.813 1.950) 2.727 8.503 ( 3.380 1.997 1.623) 4.248 8.754 ( 4.853 -7.626 -0.448) 9.051 8.976 ( -1.093 6.029 -2.880) 6.771 9.034 ( -0.337 3.286 -1.505) 3.630 9.414 ( 2.706 6.353 0.418) 6.918 9.562 ( 0.672 1.150 -1.291) 1.855 9.667 ( 0.764 -0.405 6.460) 6.518 9.819 ( 4.280 -8.007 0.708) 9.106 10.287 ( -5.504 8.772 1.459) 10.458 10.437 ( 0.456 4.115 0.145) 4.143 11.003 ( -8.287 1.556 2.064) 8.681 11.206 ( -7.867 -6.012 0.813) 9.935 11.285 ( 6.894 4.953 -3.582) 9.213 11.538 ( 1.977 -4.665 -3.279) 6.035 11.741 ( -1.412 1.418 4.689) 5.099 11.802 ( -1.976 1.430 6.942) 7.358 12.172 ( 0.881 6.180 -4.956) 7.971 12.415 ( -5.332 -3.131 -6.458) 8.941 12.744 ( 3.348 2.787 1.309) 4.549 12.913 ( -3.588 -3.060 1.734) 5.024 20.330 ( 1.872 0.484 -1.638) 2.534 20.376 ( 1.685 -1.831 0.020) 2.488 21.008 ( 0.527 2.321 1.607) 2.872 21.144 ( 2.808 -4.364 6.226) 8.106 21.349 ( 8.601 2.461 -2.802) 9.375 21.503 ( 8.662 -5.347 -4.113) 10.979 21.853 ( 0.811 7.931 -3.215) 8.596 22.081 ( -1.485 -1.340 -8.251) 8.490 22.484 ( 3.296 0.996 5.205) 6.241 22.568 ( 4.928 -2.654 5.824) 8.077 23.081 ( -5.657 3.693 -5.328) 8.603 23.197 ( -7.275 -1.671 -6.998) 10.232 23.621 ( -1.959 2.559 -0.963) 3.363 23.690 ( 1.448 -1.592 0.919) 2.340 23.875 ( -4.634 2.595 2.886) 6.044 24.064 ( 3.765 -6.964 10.428) 13.093 ======================= Grid point 23 (15/110) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 3.780 7.488 4.569) 9.552 1.130 ( 4.064 4.920 3.018) 7.059 1.211 ( 0.901 0.840 1.428) 1.886 1.262 ( 1.958 0.839 0.571) 2.205 1.318 ( -1.915 1.421 -5.675) 6.155 1.434 ( 4.719 1.101 -0.568) 4.879 1.448 ( -2.565 -3.294 2.586) 4.911 1.623 ( 2.126 2.699 -1.510) 3.753 1.637 ( -1.459 2.845 -2.040) 3.793 1.659 ( -1.651 -6.651 2.278) 7.222 1.744 ( -1.701 1.286 1.150) 2.423 1.819 ( 3.398 -0.636 0.471) 3.489 1.953 ( -3.359 -0.497 0.813) 3.492 2.039 ( 3.173 4.636 0.926) 5.693 2.096 ( 2.605 -2.804 3.061) 4.900 2.330 ( 2.580 0.929 -3.602) 4.527 2.439 ( -0.949 -6.617 0.816) 6.734 2.548 ( 2.553 1.773 0.642) 3.174 2.684 ( 4.481 -1.648 -0.281) 4.783 2.754 ( 0.830 2.044 0.624) 2.293 2.904 ( -1.907 -3.883 -1.394) 4.545 2.941 ( 1.699 -5.342 -0.483) 5.627 3.021 ( 1.749 -0.580 -1.240) 2.221 3.226 ( 3.344 -5.692 1.514) 6.773 3.565 ( -1.848 0.989 -0.927) 2.292 3.608 ( -1.280 0.283 -1.330) 1.867 3.820 ( 1.049 0.968 -3.602) 3.874 3.915 ( 1.623 -4.762 -0.214) 5.036 4.249 ( 12.324 2.306 0.340) 12.543 4.377 ( 11.792 -4.161 1.431) 12.586 4.406 ( -6.601 3.025 3.279) 7.967 4.635 ( -6.932 -2.220 6.478) 9.744 4.984 ( 2.366 1.154 1.986) 3.298 5.013 ( 4.710 -0.081 0.171) 4.714 5.112 ( 4.130 -3.138 -5.557) 7.602 5.253 ( 8.967 -7.719 -2.151) 12.026 5.523 ( -2.098 5.965 -0.234) 6.327 5.770 ( -4.377 -0.500 -3.979) 5.937 5.862 ( -4.190 1.562 -4.913) 6.644 6.047 ( -6.871 -2.002 -0.815) 7.203 6.249 ( -4.711 1.748 2.710) 5.709 6.371 ( 1.899 -2.674 2.854) 4.348 8.597 ( 4.343 4.569 2.066) 6.634 8.768 ( -0.578 6.127 -3.746) 7.205 8.957 ( -1.569 1.652 -2.105) 3.102 9.081 ( 6.300 -5.672 1.161) 8.556 9.442 ( 0.484 4.765 -0.303) 4.799 9.574 ( 2.909 -0.400 -3.722) 4.741 9.769 ( 2.854 2.551 8.637) 9.447 9.924 ( 3.918 -3.412 2.199) 5.642 10.234 ( -0.156 6.047 0.808) 6.103 10.409 ( -2.851 3.747 -0.290) 4.718 10.859 ( -8.564 -3.463 2.348) 9.531 11.004 ( -11.372 -8.128 -1.247) 14.034 11.383 ( 5.265 5.211 -2.934) 7.968 11.526 ( -0.925 -0.205 -1.000) 1.378 11.777 ( 0.640 0.109 4.848) 4.891 11.856 ( 0.185 -0.716 9.733) 9.761 12.133 ( 0.142 4.166 -5.923) 7.243 12.268 ( -3.816 -1.170 -6.844) 7.923 12.789 ( 0.947 1.447 -0.784) 1.899 12.865 ( -2.669 -0.351 2.213) 3.485 20.348 ( 1.284 0.725 -1.280) 1.952 20.416 ( 2.196 -2.914 -0.421) 3.673 21.051 ( 1.247 4.883 2.823) 5.776 21.239 ( 0.778 -3.649 8.230) 9.036 21.483 ( 6.700 0.847 -5.037) 8.424 21.605 ( 6.913 -5.012 -12.993) 15.548 21.888 ( 5.750 7.192 -0.861) 9.248 22.060 ( 5.598 1.133 -1.533) 5.914 22.604 ( 4.930 2.063 2.213) 5.784 22.737 ( 5.878 -3.531 5.690) 8.910 22.913 ( -6.534 3.771 -3.484) 8.310 23.029 ( -5.180 -1.977 -2.479) 6.073 23.534 ( -5.016 2.628 -1.663) 5.901 23.650 ( -4.102 -3.267 -2.893) 5.989 23.840 ( -2.784 7.062 4.804) 8.983 24.211 ( 2.302 -11.524 8.102) 14.274 ======================= Grid point 24 (16/110) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 2.850 2.344 3.838) 5.324 1.208 ( 0.383 3.840 4.217) 5.716 1.229 ( -1.561 1.083 -1.363) 2.338 1.268 ( 2.132 3.894 -1.503) 4.687 1.297 ( 4.394 1.736 -5.223) 7.043 1.379 ( -4.788 -1.472 0.968) 5.101 1.477 ( -0.530 7.433 -1.411) 7.584 1.616 ( -1.675 -7.388 -0.146) 7.577 1.644 ( 2.857 3.529 1.321) 4.729 1.665 ( 2.327 -1.262 0.784) 2.761 1.752 ( -3.326 -1.246 1.812) 3.987 1.840 ( 1.988 -1.997 0.117) 2.820 1.965 ( 1.788 5.023 1.064) 5.437 2.025 ( -3.371 4.536 -0.990) 5.737 2.205 ( 4.233 -3.783 4.659) 7.344 2.318 ( -2.276 1.569 -3.585) 4.527 2.474 ( 5.750 1.195 -0.438) 5.889 2.595 ( 1.050 -2.552 1.355) 3.074 2.661 ( -3.480 -7.253 -2.295) 8.366 2.791 ( 0.138 -4.266 0.922) 4.367 2.877 ( -0.351 4.078 -0.838) 4.178 2.981 ( 2.679 -4.904 2.452) 6.102 3.041 ( 0.294 -1.924 -2.482) 3.154 3.263 ( 0.210 -7.482 -0.703) 7.517 3.520 ( -1.252 2.072 -0.153) 2.426 3.626 ( 1.383 -0.483 0.688) 1.618 3.825 ( 1.920 -1.353 -0.682) 2.446 3.927 ( -0.380 -5.725 0.331) 5.748 4.265 ( -2.724 -1.854 -1.469) 3.608 4.443 ( -2.227 -6.554 0.283) 6.928 4.498 ( 5.442 5.761 -0.874) 7.973 4.655 ( 3.211 2.233 4.507) 5.967 5.018 ( -0.176 2.560 1.640) 3.045 5.079 ( 1.607 -1.606 0.429) 2.312 5.190 ( 7.321 -0.151 -3.818) 8.258 5.323 ( -4.261 -1.015 -1.648) 4.680 5.483 ( 2.721 -2.417 0.604) 3.689 5.672 ( -3.088 -2.128 -2.677) 4.608 5.785 ( -1.318 2.273 -0.689) 2.716 5.943 ( -3.033 0.227 0.443) 3.074 6.197 ( -1.884 5.406 0.746) 5.773 6.414 ( 0.649 -3.367 1.074) 3.594 8.691 ( 2.962 9.651 0.659) 10.116 8.738 ( 0.641 8.348 -0.271) 8.377 8.876 ( -3.792 2.545 -2.297) 5.112 9.192 ( 2.946 -10.931 0.755) 11.346 9.454 ( 0.845 4.370 -0.295) 4.461 9.600 ( 1.733 -1.370 -1.506) 2.674 9.894 ( 2.313 5.048 5.458) 7.786 9.972 ( 0.232 0.966 0.168) 1.008 10.279 ( 2.915 4.306 -2.471) 5.757 10.368 ( -0.325 2.796 1.687) 3.282 10.741 ( -4.264 -8.767 1.402) 9.850 10.792 ( -7.845 -9.283 -1.134) 12.207 11.434 ( 2.299 4.960 -1.659) 5.713 11.499 ( -1.363 0.654 0.593) 1.624 11.830 ( 0.940 1.811 2.181) 2.986 11.968 ( 2.256 -3.273 8.387) 9.282 12.088 ( 0.129 1.948 -3.700) 4.184 12.142 ( -3.299 -0.132 -5.925) 6.783 12.781 ( -0.424 2.101 -0.420) 2.184 12.852 ( -0.426 0.180 0.675) 0.818 20.357 ( 0.451 1.019 -0.442) 1.199 20.443 ( 0.833 -3.682 -0.237) 3.783 21.088 ( 0.405 6.898 1.433) 7.057 21.323 ( 0.649 -2.697 6.709) 7.260 21.493 ( 0.197 0.164 -5.261) 5.267 21.577 ( 2.029 -4.916 -7.423) 9.131 22.024 ( 5.660 6.349 0.874) 8.550 22.196 ( 5.432 1.299 0.335) 5.595 22.634 ( -1.309 5.260 -3.155) 6.272 22.813 ( 0.166 1.320 3.056) 3.333 22.892 ( 3.890 -2.547 -1.219) 4.807 22.945 ( -4.119 -3.023 3.025) 5.938 23.439 ( -2.559 2.311 -0.949) 3.576 23.560 ( -1.996 -3.563 -1.625) 4.395 23.821 ( -1.794 9.135 1.612) 9.448 24.285 ( 0.528 -13.429 2.788) 13.726 ======================= Grid point 28 (17/110) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 -1.302 0.000) 1.302 1.114 ( 0.000 1.302 0.000) 1.302 1.156 ( 0.000 -5.443 0.000) 5.443 1.156 ( 0.000 5.443 0.000) 5.443 1.378 ( 0.000 -2.564 0.000) 2.564 1.378 ( 0.000 2.564 0.000) 2.564 1.573 ( 0.000 -0.686 0.000) 0.686 1.573 ( 0.000 0.686 0.000) 0.686 1.618 ( 0.000 -0.660 0.000) 0.660 1.618 ( 0.000 0.660 0.000) 0.660 1.757 ( 0.000 -3.392 0.000) 3.392 1.757 ( 0.000 3.392 0.000) 3.392 1.973 ( 0.000 -5.529 0.000) 5.529 1.973 ( 0.000 5.529 0.000) 5.529 2.185 ( 0.000 -6.086 0.000) 6.086 2.185 ( 0.000 6.086 0.000) 6.086 2.459 ( 0.000 -3.981 0.000) 3.981 2.459 ( 0.000 3.981 0.000) 3.981 2.553 ( 0.000 -12.137 0.000) 12.137 2.553 ( 0.000 12.137 0.000) 12.137 2.801 ( 0.000 -3.188 0.000) 3.188 2.801 ( 0.000 3.188 0.000) 3.188 3.270 ( 0.000 -10.339 0.000) 10.339 3.270 ( 0.000 10.339 0.000) 10.339 3.533 ( 0.000 -5.709 0.000) 5.709 3.533 ( 0.000 5.709 0.000) 5.709 3.818 ( 0.000 -3.903 0.000) 3.903 3.818 ( 0.000 3.903 0.000) 3.903 3.960 ( 0.000 -0.771 0.000) 0.771 3.960 ( 0.000 0.771 0.000) 0.771 4.598 ( 0.000 -1.017 0.000) 1.017 4.598 ( 0.000 1.017 0.000) 1.017 4.857 ( 0.000 -3.295 0.000) 3.295 4.857 ( 0.000 3.295 0.000) 3.295 5.136 ( 0.000 -0.138 0.000) 0.138 5.136 ( 0.000 0.138 0.000) 0.138 5.692 ( 0.000 -11.394 0.000) 11.394 5.692 ( 0.000 11.394 0.000) 11.394 6.151 ( 0.000 -5.356 0.000) 5.356 6.151 ( 0.000 5.356 0.000) 5.356 6.296 ( 0.000 -0.193 0.000) 0.193 6.296 ( 0.000 0.193 0.000) 0.193 8.531 ( 0.000 -6.031 0.000) 6.031 8.531 ( 0.000 6.031 0.000) 6.031 9.089 ( 0.000 -0.466 0.000) 0.466 9.089 ( 0.000 0.466 0.000) 0.466 9.550 ( 0.000 -7.729 0.000) 7.729 9.550 ( 0.000 7.729 0.000) 7.729 9.613 ( 0.000 -1.319 0.000) 1.319 9.613 ( 0.000 1.319 0.000) 1.319 10.459 ( 0.000 -0.993 0.000) 0.993 10.459 ( 0.000 0.993 0.000) 0.993 11.215 ( 0.000 -1.999 0.000) 1.999 11.215 ( 0.000 1.999 0.000) 1.999 11.311 ( 0.000 -8.799 0.000) 8.799 11.311 ( 0.000 8.799 0.000) 8.799 11.803 ( 0.000 -1.783 0.000) 1.783 11.803 ( 0.000 1.783 0.000) 1.783 12.347 ( 0.000 -9.018 0.000) 9.018 12.347 ( 0.000 9.018 0.000) 9.018 12.826 ( 0.000 -6.871 0.000) 6.871 12.826 ( 0.000 6.871 0.000) 6.871 20.333 ( 0.000 -1.088 0.000) 1.088 20.333 ( 0.000 1.088 0.000) 1.088 21.022 ( 0.000 -1.068 0.000) 1.068 21.022 ( 0.000 1.068 0.000) 1.068 21.335 ( 0.000 -4.003 0.000) 4.003 21.335 ( 0.000 4.003 0.000) 4.003 22.032 ( 0.000 -7.547 0.000) 7.547 22.032 ( 0.000 7.547 0.000) 7.547 22.453 ( 0.000 -1.830 0.000) 1.830 22.453 ( 0.000 1.830 0.000) 1.830 23.261 ( 0.000 -4.011 0.000) 4.011 23.261 ( 0.000 4.011 0.000) 4.011 23.637 ( 0.000 -0.866 0.000) 0.866 23.637 ( 0.000 0.866 0.000) 0.866 23.933 ( 0.000 -1.142 0.000) 1.142 23.933 ( 0.000 1.142 0.000) 1.142 ======================= Grid point 30 (18/110) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 1.356 -2.392 -0.658) 2.828 1.125 ( 1.356 2.392 -0.658) 2.828 1.177 ( 1.538 -1.544 2.017) 2.969 1.177 ( 1.538 1.544 2.017) 2.969 1.375 ( -0.328 -3.526 -0.999) 3.679 1.375 ( -0.328 3.526 -0.999) 3.679 1.515 ( -3.811 -5.695 4.568) 8.235 1.515 ( -3.811 5.695 4.568) 8.235 1.651 ( 3.404 -2.893 -4.583) 6.400 1.651 ( 3.404 2.893 -4.583) 6.400 1.774 ( 0.569 -2.692 1.664) 3.216 1.774 ( 0.569 2.692 1.664) 3.216 2.014 ( -0.089 -2.617 -1.582) 3.059 2.014 ( -0.089 2.617 -1.582) 3.059 2.160 ( 1.864 -9.081 1.265) 9.356 2.160 ( 1.864 9.081 1.265) 9.356 2.447 ( -0.500 -5.539 -0.778) 5.615 2.447 ( -0.500 5.539 -0.778) 5.615 2.629 ( 4.100 -7.830 3.312) 9.439 2.629 ( 4.100 7.830 3.312) 9.439 2.838 ( 2.977 -3.447 0.370) 4.570 2.838 ( 2.977 3.447 0.370) 4.570 3.166 ( -5.616 -6.126 -2.301) 8.623 3.166 ( -5.616 6.126 -2.301) 8.623 3.596 ( 3.905 -2.280 -2.877) 5.360 3.596 ( 3.905 2.280 -2.877) 5.360 3.852 ( 1.904 -0.862 -2.456) 3.225 3.852 ( 1.904 0.862 -2.456) 3.225 4.042 ( 9.358 -2.370 3.310) 10.205 4.042 ( 9.358 2.370 3.310) 10.205 4.600 ( -4.037 -4.256 6.568) 8.806 4.600 ( -4.037 4.256 6.568) 8.806 4.910 ( 6.179 -2.647 -2.618) 7.214 4.910 ( 6.179 2.648 -2.618) 7.214 5.094 ( -1.301 -0.506 -2.629) 2.976 5.094 ( -1.301 0.506 -2.629) 2.976 5.693 ( -0.569 -9.713 0.904) 9.772 5.693 ( -0.569 9.713 0.904) 9.772 6.094 ( -2.422 -5.165 -6.995) 9.026 6.094 ( -2.422 5.165 -6.995) 9.026 6.297 ( -1.966 -0.231 4.693) 5.093 6.297 ( -1.966 0.231 4.693) 5.093 8.593 ( 5.356 -6.817 1.040) 8.732 8.593 ( 5.356 6.817 1.040) 8.732 9.058 ( -1.284 -1.337 -2.515) 3.124 9.058 ( -1.284 1.337 -2.515) 3.124 9.543 ( 0.725 -4.514 -3.169) 5.563 9.543 ( 0.725 4.514 -3.169) 5.563 9.684 ( 3.904 -3.645 6.352) 8.299 9.684 ( 3.904 3.645 6.352) 8.299 10.433 ( -3.141 -4.620 1.404) 5.760 10.433 ( -3.141 4.620 1.404) 5.760 11.080 ( -10.300 -5.823 0.648) 11.850 11.080 ( -10.300 5.823 0.648) 11.850 11.404 ( 6.771 -6.889 -3.096) 10.143 11.404 ( 6.771 6.889 -3.096) 10.143 11.796 ( -3.040 -2.163 6.089) 7.141 11.796 ( -3.040 2.163 6.089) 7.141 12.305 ( -0.935 -6.756 -6.513) 9.430 12.305 ( -0.935 6.756 -6.513) 9.430 12.830 ( -0.445 -4.816 1.618) 5.100 12.830 ( -0.445 4.816 1.618) 5.100 20.346 ( 1.461 -1.128 -0.603) 1.942 20.346 ( 1.461 1.128 -0.603) 1.942 21.065 ( 2.060 -3.384 4.043) 5.661 21.065 ( 2.060 3.384 4.043) 5.661 21.411 ( 8.637 -3.817 -3.622) 10.113 21.411 ( 8.637 3.817 -3.622) 10.113 21.999 ( -0.143 -6.220 -4.555) 7.711 21.999 ( -0.143 6.220 -4.555) 7.711 22.519 ( 4.166 -2.200 4.602) 6.586 22.519 ( 4.166 2.200 4.602) 6.586 23.150 ( -6.214 -3.001 -6.278) 9.329 23.150 ( -6.214 3.001 -6.278) 9.329 23.660 ( -0.297 -1.532 -0.363) 1.602 23.660 ( -0.297 1.532 -0.363) 1.602 23.948 ( -0.887 -4.655 6.740) 8.239 23.948 ( -0.887 4.655 6.740) 8.239 ======================= Grid point 32 (19/110) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.562 -3.114 0.020) 3.483 1.150 ( 1.562 3.114 0.020) 3.483 1.240 ( 1.680 -3.792 2.930) 5.078 1.240 ( 1.680 3.792 2.930) 5.078 1.372 ( 3.637 -4.191 -4.092) 6.895 1.372 ( 3.637 4.191 -4.092) 6.895 1.514 ( -2.469 -7.099 5.161) 9.118 1.514 ( -2.469 7.099 5.161) 9.118 1.667 ( 1.550 -1.081 -1.906) 2.684 1.667 ( 1.550 1.081 -1.906) 2.684 1.783 ( -1.620 -2.579 1.149) 3.256 1.783 ( -1.620 2.579 1.149) 3.256 1.997 ( 2.248 -4.147 1.451) 4.936 1.997 ( 2.248 4.147 1.451) 4.936 2.223 ( 1.405 -9.721 -0.486) 9.834 2.223 ( 1.405 9.721 -0.486) 9.834 2.459 ( 1.962 -8.785 -0.094) 9.002 2.459 ( 1.962 8.785 -0.094) 9.002 2.696 ( -0.525 -3.948 1.875) 4.402 2.696 ( -0.525 3.948 1.875) 4.402 2.891 ( 3.094 -2.179 -1.131) 3.950 2.891 ( 3.094 2.179 -1.131) 3.950 3.105 ( 0.326 -6.658 -0.307) 6.673 3.105 ( 0.326 6.658 -0.307) 6.673 3.595 ( -0.997 -1.480 -1.385) 2.259 3.595 ( -0.997 1.480 -1.385) 2.259 3.849 ( 1.085 -2.380 -3.187) 4.123 3.849 ( 1.085 2.380 -3.187) 4.123 4.299 ( 11.095 -3.275 -0.191) 11.570 4.299 ( 11.095 3.275 -0.191) 11.570 4.532 ( -5.683 -7.461 4.900) 10.582 4.532 ( -5.683 7.461 4.900) 10.582 5.004 ( 3.462 -0.772 0.953) 3.673 5.004 ( 3.462 0.772 0.953) 3.673 5.122 ( 6.753 -4.299 -2.386) 8.354 5.122 ( 6.753 4.299 -2.386) 8.354 5.662 ( -3.527 -7.359 -1.048) 8.228 5.662 ( -3.527 7.359 -1.048) 8.228 5.964 ( -4.455 -5.803 -4.309) 8.491 5.964 ( -4.455 5.803 -4.309) 8.491 6.306 ( -0.694 -3.444 2.964) 4.597 6.306 ( -0.694 3.444 2.964) 4.597 8.719 ( 6.118 -6.909 0.447) 9.239 8.719 ( 6.118 6.909 0.447) 9.239 9.018 ( -0.888 -3.070 -1.727) 3.632 9.018 ( -0.888 3.070 -1.727) 3.632 9.531 ( 1.000 -3.685 -2.447) 4.535 9.531 ( 1.000 3.685 -2.447) 4.535 9.839 ( 5.678 -4.318 5.978) 9.307 9.839 ( 5.678 4.318 5.978) 9.307 10.381 ( -2.764 -6.378 1.132) 7.043 10.381 ( -2.764 6.378 1.132) 7.043 10.865 ( -11.916 -4.680 0.014) 12.802 10.865 ( -11.916 4.680 0.014) 12.802 11.479 ( 3.646 -4.101 -3.018) 6.262 11.479 ( 3.646 4.101 -3.018) 6.262 11.817 ( -1.147 -2.833 8.727) 9.247 11.817 ( -1.147 2.833 8.727) 9.247 12.217 ( -1.455 -3.786 -7.762) 8.758 12.217 ( -1.455 3.786 -7.762) 8.758 12.831 ( -0.635 -2.441 1.008) 2.716 12.831 ( -0.635 2.441 1.008) 2.716 20.371 ( 1.457 -1.613 -0.655) 2.270 20.371 ( 1.457 1.613 -0.655) 2.270 21.151 ( 1.730 -4.912 6.404) 8.254 21.151 ( 1.730 4.912 6.404) 8.254 21.521 ( 6.653 -3.059 -9.561) 12.044 21.521 ( 6.653 3.059 -9.561) 12.044 22.015 ( 5.638 -4.978 -1.124) 7.605 22.015 ( 5.638 4.978 -1.124) 7.605 22.665 ( 6.268 -3.574 3.529) 8.032 22.665 ( 6.268 3.574 3.529) 8.032 22.980 ( -6.230 -2.895 -3.162) 7.563 22.980 ( -6.230 2.895 -3.162) 7.563 23.589 ( -4.758 -2.858 -2.205) 5.972 23.589 ( -4.758 2.858 -2.205) 5.972 24.003 ( -0.395 -9.229 6.519) 11.306 24.003 ( -0.395 9.229 6.519) 11.306 ======================= Grid point 34 (20/110) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.872 -1.782 -0.049) 1.984 1.177 ( 0.872 1.782 -0.049) 1.984 1.286 ( 1.734 -1.024 0.593) 2.099 1.286 ( 1.734 1.024 0.593) 2.099 1.408 ( 0.480 -3.182 -0.997) 3.368 1.408 ( 0.480 3.182 -0.997) 3.368 1.504 ( -0.422 -4.368 1.995) 4.821 1.504 ( -0.422 4.368 1.995) 4.821 1.657 ( -1.255 -3.577 -1.285) 4.003 1.657 ( -1.255 3.577 -1.285) 4.003 1.788 ( 1.269 -2.835 1.518) 3.458 1.788 ( 1.269 2.835 1.518) 3.458 2.096 ( 3.142 -6.699 2.970) 7.973 2.096 ( 3.142 6.699 2.970) 7.973 2.209 ( -0.916 -12.509 -0.551) 12.554 2.209 ( -0.916 12.509 -0.551) 12.554 2.476 ( 0.530 -7.702 -3.119) 8.326 2.476 ( 0.530 7.702 -3.119) 8.326 2.681 ( -1.048 -5.196 2.144) 5.718 2.681 ( -1.048 5.196 2.144) 5.718 2.939 ( 1.859 -1.199 -0.549) 2.279 2.939 ( 1.859 1.199 -0.549) 2.279 3.105 ( -0.396 -7.634 -0.773) 7.683 3.105 ( -0.396 7.634 -0.773) 7.683 3.586 ( 0.574 -3.387 0.360) 3.454 3.586 ( 0.574 3.387 0.360) 3.454 3.840 ( 0.017 -2.659 -1.064) 2.865 3.840 ( 0.017 2.659 -1.064) 2.865 4.305 ( -2.952 -5.440 -1.831) 6.454 4.305 ( -2.952 5.440 -1.831) 6.454 4.622 ( 5.355 -5.087 2.531) 7.808 4.622 ( 5.355 5.087 2.531) 7.808 5.052 ( 0.492 -1.071 1.231) 1.704 5.052 ( 0.492 1.071 1.231) 1.704 5.252 ( 6.652 -5.138 -1.006) 8.465 5.252 ( 6.652 5.138 -1.006) 8.465 5.534 ( -6.449 -6.925 -1.801) 9.632 5.534 ( -6.449 6.925 -1.801) 9.632 5.895 ( -0.851 -4.953 -0.675) 5.071 5.895 ( -0.851 4.953 -0.675) 5.071 6.317 ( -0.104 -5.915 0.983) 5.997 6.317 ( -0.104 5.915 0.983) 5.997 8.815 ( 3.322 -2.513 -0.213) 4.171 8.815 ( 3.322 2.513 -0.213) 4.171 8.986 ( -1.419 -8.776 -0.381) 8.898 8.986 ( -1.419 8.776 -0.381) 8.898 9.541 ( 1.131 -4.043 -0.882) 4.290 9.541 ( 1.131 4.043 -0.882) 4.290 9.969 ( 2.651 -2.172 2.975) 4.538 9.969 ( 2.651 2.172 2.975) 4.538 10.374 ( 1.787 -3.941 -0.348) 4.341 10.374 ( 1.787 3.941 -0.348) 4.341 10.654 ( -8.457 -2.624 0.148) 8.856 10.654 ( -8.457 2.624 0.148) 8.856 11.500 ( 0.811 -1.407 -1.062) 1.941 11.500 ( 0.811 1.407 -1.062) 1.941 11.889 ( 0.925 -3.988 5.497) 6.854 11.889 ( 0.925 3.988 5.497) 6.854 12.128 ( -1.322 -1.552 -4.910) 5.316 12.128 ( -1.322 1.552 -4.910) 5.316 12.827 ( -0.300 -2.196 0.227) 2.228 12.827 ( -0.300 2.196 0.227) 2.228 20.386 ( 0.544 -2.010 -0.267) 2.099 20.386 ( 0.544 2.010 -0.267) 2.099 21.227 ( 0.655 -6.521 4.343) 7.862 21.227 ( 0.655 6.521 4.343) 7.862 21.509 ( 1.290 -1.721 -6.494) 6.841 21.509 ( 1.290 1.721 -6.494) 6.841 22.146 ( 5.302 -5.179 0.481) 7.427 22.146 ( 5.302 5.179 0.481) 7.427 22.757 ( 1.525 -5.994 -2.004) 6.501 22.757 ( 1.525 5.994 -2.004) 6.501 22.894 ( -1.808 -2.153 2.711) 3.906 22.894 ( -1.808 2.153 2.711) 3.906 23.493 ( -2.472 -3.020 -1.250) 4.098 23.493 ( -2.472 3.020 -1.250) 4.098 24.031 ( -0.590 -11.672 2.304) 11.911 24.031 ( -0.590 11.672 2.304) 11.911 ======================= Grid point 63 (21/110) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( 3.140 0.000 13.807) 14.160 0.333 ( 0.373 0.000 16.759) 16.763 0.695 ( 0.582 0.000 33.177) 33.182 1.151 ( 0.780 0.000 -1.693) 1.864 1.339 ( 2.657 0.000 -2.162) 3.425 1.340 ( 2.193 0.000 -3.952) 4.519 1.430 ( -1.249 0.000 -1.244) 1.763 1.474 ( -2.853 0.000 -1.573) 3.258 1.530 ( -3.835 0.000 -3.109) 4.937 1.655 ( -1.305 0.000 -2.165) 2.528 1.682 ( -0.561 0.000 -6.273) 6.298 1.940 ( -1.142 0.000 -2.376) 2.636 2.044 ( 0.933 0.000 -4.073) 4.179 2.097 ( -0.041 0.000 1.552) 1.552 2.176 ( 3.761 0.000 0.083) 3.762 2.228 ( -6.770 0.000 2.521) 7.225 2.446 ( 10.643 0.000 -3.138) 11.096 2.495 ( 0.442 0.000 -1.578) 1.639 2.572 ( -2.878 0.000 1.274) 3.147 2.626 ( 1.505 0.000 2.222) 2.683 2.954 ( 2.610 0.000 11.997) 12.278 3.004 ( -12.897 0.000 -2.906) 13.221 3.373 ( 8.994 0.000 -3.262) 9.568 3.489 ( 2.114 0.000 6.292) 6.638 3.596 ( 3.494 0.000 -3.154) 4.707 3.607 ( -4.023 0.000 0.394) 4.042 3.846 ( -6.869 0.000 -3.223) 7.587 3.969 ( 1.945 0.000 1.715) 2.593 4.234 ( 2.276 0.000 1.314) 2.628 4.464 ( 11.575 0.000 -3.758) 12.170 4.480 ( 6.233 0.000 -2.367) 6.667 4.805 ( 7.634 0.000 3.644) 8.459 4.868 ( -8.437 0.000 12.668) 15.221 4.952 ( -2.735 0.000 3.480) 4.426 5.217 ( 3.185 0.000 -2.801) 4.242 5.312 ( -6.716 0.000 -4.793) 8.251 5.515 ( -13.859 0.000 -5.594) 14.945 5.649 ( -0.798 0.000 -13.120) 13.144 6.197 ( -2.801 0.000 -0.740) 2.897 6.267 ( 1.027 0.000 -2.395) 2.606 6.357 ( 2.605 0.000 6.472) 6.977 6.659 ( 5.556 0.000 0.626) 5.591 8.367 ( -4.043 0.000 1.645) 4.365 8.631 ( 6.770 0.000 -3.190) 7.484 9.003 ( -15.270 0.000 1.292) 15.325 9.133 ( 2.972 0.000 -1.284) 3.237 9.211 ( 5.137 0.000 0.702) 5.185 9.480 ( 0.389 0.000 1.043) 1.113 9.570 ( -1.240 0.000 6.277) 6.399 9.864 ( -2.070 0.000 -3.856) 4.376 10.138 ( -16.248 0.000 1.047) 16.281 10.196 ( 4.192 0.000 4.324) 6.022 10.924 ( 0.072 0.000 -0.136) 0.154 11.034 ( 1.695 0.000 -0.899) 1.918 11.360 ( 6.776 0.000 -2.751) 7.313 11.599 ( 2.742 0.000 7.195) 7.700 11.646 ( 0.378 0.000 -6.764) 6.774 12.034 ( 0.678 0.000 3.310) 3.378 12.249 ( 1.557 0.000 -5.065) 5.299 12.489 ( -2.516 0.000 7.361) 7.779 12.770 ( -0.786 0.000 -5.874) 5.926 12.862 ( 9.173 0.000 -1.296) 9.264 20.465 ( -0.023 0.000 3.278) 3.278 20.686 ( -57.992 0.000 1.955) 58.025 20.904 ( 1.510 0.000 -3.749) 4.042 21.085 ( 2.190 0.000 -7.141) 7.469 21.228 ( 0.378 0.000 2.599) 2.626 21.390 ( 0.423 0.000 6.645) 6.659 21.499 ( 6.284 0.000 -2.120) 6.632 21.723 ( 0.003 0.000 -1.139) 1.139 22.611 ( 1.852 0.000 2.285) 2.941 22.944 ( 1.212 0.000 -0.095) 1.216 22.994 ( -3.718 0.000 -2.462) 4.459 23.115 ( -14.069 0.000 -2.334) 14.261 23.489 ( -1.693 0.000 3.387) 3.786 23.757 ( 3.026 0.000 -2.394) 3.859 23.973 ( -6.618 0.000 5.055) 8.328 24.451 ( 60.579 0.000 -3.262) 60.667 ======================= Grid point 64 (22/110) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 9.691 0.000 13.225) 16.396 0.696 ( 14.260 0.000 11.639) 18.407 1.071 ( 12.528 0.000 16.582) 20.782 1.135 ( 1.805 0.000 -4.928) 5.248 1.307 ( 1.342 0.000 -5.096) 5.270 1.376 ( -1.673 0.000 -0.466) 1.737 1.445 ( 3.388 0.000 2.405) 4.154 1.447 ( -1.276 0.000 -0.297) 1.310 1.571 ( 2.469 0.000 1.786) 3.047 1.623 ( 0.739 0.000 -6.427) 6.469 1.667 ( 9.361 0.000 -5.518) 10.866 1.893 ( 0.295 0.000 -3.849) 3.860 1.935 ( -5.973 0.000 -5.117) 7.865 2.097 ( 0.034 0.000 -1.878) 1.878 2.114 ( -6.477 0.000 1.953) 6.765 2.307 ( 7.929 0.000 -2.107) 8.204 2.446 ( -5.037 0.000 2.315) 5.543 2.521 ( 2.150 0.000 -2.129) 3.026 2.620 ( 2.924 0.000 2.632) 3.934 2.722 ( 5.744 0.000 -0.148) 5.746 2.848 ( -2.049 0.000 -0.185) 2.057 3.052 ( -1.701 0.000 8.554) 8.721 3.445 ( -7.888 0.000 -5.438) 9.581 3.458 ( 5.111 0.000 -2.566) 5.719 3.552 ( -0.294 0.000 4.985) 4.993 3.659 ( -1.235 0.000 1.091) 1.648 3.814 ( 8.772 0.000 -0.413) 8.782 4.108 ( 9.073 0.000 3.765) 9.823 4.270 ( 1.226 0.000 1.525) 1.957 4.623 ( 9.658 0.000 -8.522) 12.880 4.642 ( 3.779 0.000 -1.301) 3.996 4.786 ( -11.073 0.000 1.877) 11.231 4.804 ( -3.451 0.000 6.728) 7.562 4.973 ( -0.467 0.000 6.462) 6.479 5.151 ( -0.250 0.000 -11.083) 11.085 5.257 ( 0.278 0.000 -0.082) 0.290 5.420 ( 4.562 0.000 -2.726) 5.314 5.553 ( 2.015 0.000 -10.142) 10.340 6.070 ( -9.000 0.000 -0.683) 9.026 6.241 ( -1.920 0.000 -1.656) 2.536 6.414 ( -2.025 0.000 5.788) 6.132 6.517 ( -15.406 0.000 2.716) 15.643 8.255 ( -6.957 0.000 -0.202) 6.960 8.724 ( -9.495 0.000 7.183) 11.906 8.776 ( 5.919 0.000 -5.786) 8.277 9.242 ( 6.765 0.000 0.806) 6.812 9.312 ( 4.446 0.000 2.518) 5.110 9.442 ( -2.850 0.000 -3.412) 4.446 9.676 ( 2.301 0.000 3.583) 4.258 9.850 ( 2.691 0.000 0.481) 2.734 10.033 ( -0.443 0.000 -2.011) 2.059 10.303 ( 2.186 0.000 4.787) 5.262 10.933 ( 1.018 0.000 0.155) 1.030 11.065 ( 2.150 0.000 -0.474) 2.201 11.415 ( 3.194 0.000 -2.544) 4.084 11.599 ( 1.533 0.000 -8.440) 8.578 11.677 ( -0.885 0.000 6.557) 6.617 12.044 ( -1.584 0.000 0.625) 1.703 12.255 ( 2.005 0.000 -0.809) 2.162 12.500 ( -2.970 0.000 6.376) 7.034 12.665 ( -8.440 0.000 0.278) 8.444 12.694 ( -9.211 0.000 2.120) 9.452 20.311 ( -4.346 0.000 5.356) 6.897 20.520 ( 2.570 0.000 4.333) 5.038 20.843 ( -1.911 0.000 -4.184) 4.600 21.186 ( 9.597 0.000 -2.104) 9.825 21.296 ( 3.610 0.000 2.465) 4.371 21.517 ( 7.244 0.000 5.746) 9.246 21.570 ( 4.912 0.000 -5.824) 7.619 21.721 ( 1.136 0.000 -1.654) 2.006 22.675 ( 1.826 0.000 4.107) 4.494 22.825 ( -9.102 0.000 -5.094) 10.430 22.991 ( 3.002 0.000 1.847) 3.525 22.998 ( -1.665 0.000 3.019) 3.448 23.482 ( -2.291 0.000 2.857) 3.662 23.779 ( 0.363 0.000 -2.114) 2.145 23.822 ( -10.913 0.000 0.689) 10.934 24.872 ( 7.643 0.000 -10.201) 12.747 ======================= Grid point 65 (23/110) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 5.586 0.000 8.906) 10.513 0.980 ( 4.677 0.000 13.195) 13.999 1.144 ( 1.277 0.000 0.228) 1.297 1.216 ( 1.729 0.000 -5.438) 5.706 1.319 ( -0.134 0.000 -1.171) 1.178 1.331 ( 1.823 0.000 -7.301) 7.525 1.425 ( 0.599 0.000 -3.669) 3.717 1.489 ( -1.154 0.000 -4.304) 4.456 1.588 ( -0.354 0.000 -1.261) 1.310 1.704 ( 4.978 0.000 13.615) 14.497 1.824 ( 8.678 0.000 -5.080) 10.056 1.874 ( 1.773 0.000 0.203) 1.785 1.888 ( 1.752 0.000 -0.015) 1.752 1.986 ( -6.504 0.000 -1.055) 6.589 2.092 ( 0.508 0.000 -0.674) 0.844 2.345 ( 2.673 0.000 -6.178) 6.731 2.434 ( 1.671 0.000 -1.877) 2.513 2.531 ( 1.245 0.000 -2.655) 2.933 2.693 ( -2.767 0.000 11.588) 11.913 2.779 ( 2.894 0.000 -6.339) 6.968 2.907 ( 7.698 0.000 0.495) 7.714 3.061 ( -3.273 0.000 4.967) 5.949 3.301 ( -1.769 0.000 -3.216) 3.670 3.526 ( 3.609 0.000 -2.688) 4.500 3.584 ( -0.270 0.000 3.822) 3.832 3.629 ( -1.109 0.000 -0.675) 1.298 4.017 ( 8.852 0.000 1.206) 8.934 4.324 ( 1.394 0.000 3.319) 3.600 4.328 ( 7.661 0.000 3.667) 8.493 4.510 ( -7.524 0.000 -7.946) 10.943 4.538 ( -5.323 0.000 -5.455) 7.622 4.736 ( 7.206 0.000 -9.292) 11.759 4.870 ( 0.480 0.000 4.615) 4.640 5.042 ( 0.871 0.000 8.181) 8.227 5.078 ( -2.465 0.000 -0.964) 2.647 5.254 ( 0.852 0.000 -0.703) 1.104 5.500 ( 4.547 0.000 -3.119) 5.514 5.557 ( 4.094 0.000 -2.907) 5.021 5.876 ( -10.322 0.000 0.832) 10.355 6.160 ( -6.729 0.000 0.305) 6.736 6.252 ( -11.780 0.000 2.664) 12.077 6.390 ( -4.394 0.000 3.336) 5.517 8.136 ( -4.848 0.000 0.395) 4.865 8.564 ( -7.985 0.000 1.332) 8.095 8.918 ( 7.644 0.000 0.189) 7.646 9.279 ( -2.486 0.000 -3.479) 4.276 9.420 ( 4.708 0.000 1.220) 4.864 9.437 ( 5.708 0.000 -1.134) 5.819 9.693 ( -3.263 0.000 3.519) 4.799 9.951 ( 5.517 0.000 2.161) 5.925 10.022 ( 1.411 0.000 -2.435) 2.814 10.344 ( -2.065 0.000 3.580) 4.133 10.969 ( 2.175 0.000 0.749) 2.300 11.103 ( 2.129 0.000 -0.702) 2.241 11.456 ( 2.365 0.000 -0.426) 2.404 11.554 ( 1.389 0.000 -7.766) 7.890 11.689 ( -3.450 0.000 6.364) 7.239 11.994 ( -1.327 0.000 -4.476) 4.668 12.307 ( 1.393 0.000 4.682) 4.885 12.479 ( -3.695 0.000 3.302) 4.955 12.527 ( -3.705 0.000 -12.410) 12.952 12.595 ( -5.005 0.000 11.555) 12.593 20.316 ( -0.149 0.000 2.656) 2.660 20.628 ( 3.657 0.000 5.253) 6.401 20.785 ( -0.547 0.000 -3.639) 3.680 21.314 ( 3.305 0.000 0.009) 3.305 21.444 ( 9.003 0.000 4.361) 10.004 21.607 ( 3.965 0.000 -4.530) 6.020 21.731 ( 9.736 0.000 3.025) 10.195 21.741 ( 2.265 0.000 -1.146) 2.539 22.600 ( -9.042 0.000 -3.944) 9.864 22.746 ( 1.752 0.000 3.403) 3.827 23.021 ( 0.746 0.000 1.376) 1.565 23.084 ( 3.299 0.000 2.870) 4.373 23.447 ( -3.469 0.000 1.891) 3.951 23.584 ( -10.486 0.000 -1.470) 10.589 23.754 ( -1.262 0.000 -3.064) 3.314 24.858 ( 0.688 0.000 -7.184) 7.217 ======================= Grid point 66 (24/110) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -3.764 0.000 3.485) 5.130 1.031 ( -9.380 0.000 2.048) 9.601 1.182 ( 1.961 0.000 -5.170) 5.529 1.264 ( -2.143 0.000 -1.433) 2.578 1.269 ( 2.580 0.000 2.876) 3.863 1.326 ( 4.723 0.000 -2.583) 5.383 1.424 ( 2.249 0.000 -3.261) 3.961 1.432 ( 2.538 0.000 -1.326) 2.864 1.618 ( 1.562 0.000 1.740) 2.338 1.834 ( 0.212 0.000 2.291) 2.301 1.850 ( -1.952 0.000 -0.327) 1.979 1.862 ( -1.989 0.000 -2.477) 3.177 1.914 ( 4.165 0.000 0.379) 4.182 2.034 ( 4.068 0.000 7.856) 8.846 2.079 ( -2.437 0.000 1.106) 2.676 2.371 ( 2.324 0.000 -3.695) 4.365 2.426 ( 1.000 0.000 -4.759) 4.863 2.540 ( 3.442 0.000 -5.083) 6.139 2.720 ( -1.386 0.000 6.641) 6.784 2.755 ( 1.293 0.000 -6.626) 6.751 3.021 ( -3.659 0.000 1.785) 4.072 3.063 ( 3.873 0.000 3.874) 5.479 3.304 ( 2.457 0.000 0.310) 2.476 3.545 ( 1.414 0.000 -3.545) 3.816 3.585 ( -2.417 0.000 0.383) 2.447 3.621 ( 0.549 0.000 0.711) 0.898 4.115 ( 0.671 0.000 -2.507) 2.595 4.252 ( -4.571 0.000 -6.225) 7.723 4.288 ( -3.307 0.000 -1.257) 3.538 4.503 ( 2.650 0.000 -2.120) 3.393 4.550 ( 5.637 0.000 -1.502) 5.834 4.789 ( 6.719 0.000 -7.953) 10.411 4.888 ( -0.533 0.000 1.987) 2.057 5.048 ( -1.172 0.000 4.059) 4.224 5.128 ( -1.277 0.000 11.641) 11.711 5.290 ( 2.252 0.000 0.905) 2.428 5.524 ( 1.215 0.000 -1.517) 1.944 5.637 ( 3.972 0.000 2.002) 4.448 5.726 ( -5.913 0.000 2.799) 6.542 6.007 ( -8.312 0.000 3.369) 8.968 6.151 ( -0.898 0.000 -1.981) 2.175 6.313 ( -4.408 0.000 -1.220) 4.574 8.087 ( -1.258 0.000 1.985) 2.350 8.446 ( -4.061 0.000 -1.738) 4.417 9.054 ( 4.143 0.000 4.254) 5.938 9.220 ( 0.679 0.000 -3.520) 3.585 9.494 ( 2.673 0.000 -2.493) 3.655 9.519 ( 2.511 0.000 -0.385) 2.541 9.634 ( -4.884 0.000 3.350) 5.923 10.045 ( 2.221 0.000 -1.441) 2.647 10.062 ( 3.429 0.000 2.093) 4.017 10.296 ( -4.660 0.000 2.754) 5.413 11.005 ( 0.373 0.000 -0.085) 0.382 11.126 ( 1.030 0.000 -1.112) 1.516 11.490 ( 0.815 0.000 0.500) 0.956 11.548 ( 3.982 0.000 -3.145) 5.074 11.675 ( -3.401 0.000 6.784) 7.589 11.929 ( 0.258 0.000 -7.646) 7.651 12.304 ( -6.094 0.000 -16.523) 17.612 12.378 ( 0.085 0.000 7.572) 7.573 12.421 ( -3.130 0.000 -0.841) 3.241 12.660 ( 1.229 0.000 8.730) 8.816 20.340 ( -0.048 0.000 3.132) 3.132 20.737 ( 1.538 0.000 8.162) 8.305 20.760 ( 0.963 0.000 -3.083) 3.230 21.345 ( 0.358 0.000 -0.120) 0.378 21.603 ( 1.878 0.000 1.659) 2.506 21.649 ( 3.512 0.000 -2.242) 4.167 21.788 ( 2.437 0.000 1.486) 2.854 21.910 ( 4.712 0.000 4.205) 6.316 22.457 ( -2.274 0.000 -0.768) 2.400 22.776 ( -0.883 0.000 -0.234) 0.913 23.024 ( -0.904 0.000 -1.214) 1.514 23.092 ( -2.719 0.000 -2.141) 3.461 23.396 ( -2.506 0.000 1.009) 2.702 23.467 ( -1.319 0.000 -0.554) 1.430 23.731 ( 1.553 0.000 1.404) 2.093 24.796 ( 0.277 0.000 -8.958) 8.962 ======================= Grid point 67 (25/110) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -14.705 0.000 -4.869) 15.490 0.842 ( -5.820 0.000 1.391) 5.984 1.139 ( -2.870 0.000 -0.823) 2.986 1.197 ( 1.658 0.000 -0.924) 1.898 1.359 ( 0.727 0.000 1.566) 1.727 1.398 ( 3.865 0.000 -3.492) 5.209 1.447 ( 2.300 0.000 -1.119) 2.558 1.508 ( 3.392 0.000 -0.717) 3.467 1.662 ( 1.299 0.000 3.246) 3.496 1.797 ( -4.163 0.000 -0.634) 4.211 1.823 ( 0.336 0.000 -0.449) 0.560 1.877 ( 3.181 0.000 2.619) 4.120 1.984 ( -7.253 0.000 1.845) 7.484 2.000 ( 3.252 0.000 -3.078) 4.478 2.139 ( -0.198 0.000 5.908) 5.911 2.281 ( -5.997 0.000 -5.485) 8.127 2.425 ( 2.243 0.000 -3.765) 4.382 2.568 ( 4.043 0.000 -4.594) 6.119 2.723 ( 0.410 0.000 -4.335) 4.355 2.786 ( 2.034 0.000 6.495) 6.806 2.958 ( -3.863 0.000 -0.103) 3.864 3.076 ( -5.153 0.000 2.367) 5.671 3.386 ( 3.569 0.000 4.770) 5.958 3.498 ( -4.663 0.000 -2.686) 5.382 3.521 ( -0.924 0.000 -3.081) 3.216 3.655 ( 1.165 0.000 1.870) 2.204 4.025 ( -2.848 0.000 -7.016) 7.572 4.175 ( 0.963 0.000 -6.415) 6.487 4.267 ( -0.288 0.000 0.026) 0.289 4.477 ( -2.768 0.000 -3.134) 4.181 4.541 ( -2.214 0.000 -3.997) 4.570 4.859 ( 6.653 0.000 -7.997) 10.402 4.901 ( -1.065 0.000 3.434) 3.596 5.117 ( 3.719 0.000 2.927) 4.732 5.178 ( -4.547 0.000 10.736) 11.659 5.311 ( -2.528 0.000 6.401) 6.883 5.609 ( 6.988 0.000 4.355) 8.233 5.717 ( 4.343 0.000 4.404) 6.185 5.758 ( 3.419 0.000 4.962) 6.026 5.923 ( -1.787 0.000 -0.391) 1.829 6.154 ( 2.726 0.000 -2.330) 3.586 6.213 ( -1.832 0.000 -6.565) 6.816 8.122 ( 2.259 0.000 3.623) 4.269 8.385 ( 0.373 0.000 -3.603) 3.622 9.139 ( -0.648 0.000 6.992) 7.022 9.242 ( 3.567 0.000 -2.191) 4.186 9.433 ( -3.585 0.000 -7.164) 8.011 9.518 ( -1.974 0.000 -1.061) 2.242 9.624 ( -0.504 0.000 5.099) 5.123 9.987 ( -4.827 0.000 -1.947) 5.205 10.199 ( 6.031 0.000 8.765) 10.639 10.246 ( -2.083 0.000 -0.929) 2.281 10.979 ( -1.825 0.000 -0.895) 2.033 11.120 ( -0.565 0.000 -1.135) 1.268 11.492 ( -0.522 0.000 -0.120) 0.536 11.653 ( 6.243 0.000 1.698) 6.470 11.693 ( -1.729 0.000 9.002) 9.167 11.876 ( 1.774 0.000 -8.429) 8.614 12.005 ( -7.771 0.000 -21.732) 23.080 12.355 ( -1.373 0.000 -3.961) 4.192 12.434 ( -1.598 0.000 8.388) 8.539 12.760 ( 2.208 0.000 5.067) 5.527 20.369 ( 0.100 0.000 3.514) 3.516 20.767 ( 2.481 0.000 -2.875) 3.798 20.833 ( -0.927 0.000 13.212) 13.244 21.330 ( -1.181 0.000 -1.462) 1.879 21.540 ( -6.894 0.000 -0.566) 6.917 21.696 ( 2.586 0.000 -0.940) 2.751 21.865 ( 1.780 0.000 7.641) 7.845 21.895 ( -10.047 0.000 1.900) 10.225 22.540 ( 8.766 0.000 3.284) 9.361 22.707 ( -3.748 0.000 -3.806) 5.342 22.946 ( -4.590 0.000 -5.279) 6.996 23.027 ( -0.665 0.000 -3.795) 3.853 23.387 ( 0.770 0.000 0.617) 0.986 23.477 ( 3.551 0.000 -0.087) 3.552 23.835 ( 3.787 0.000 6.201) 7.266 24.702 ( 0.006 0.000 -14.386) 14.386 ======================= Grid point 68 (26/110) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -14.929 0.000 4.606) 15.623 0.658 ( -13.653 0.000 1.374) 13.722 1.130 ( 0.973 0.000 -0.817) 1.271 1.205 ( -1.699 0.000 -1.856) 2.517 1.381 ( 0.559 0.000 -0.207) 0.596 1.405 ( -8.561 0.000 0.125) 8.562 1.429 ( -0.524 0.000 -2.599) 2.652 1.498 ( -2.222 0.000 -0.306) 2.243 1.629 ( -8.512 0.000 -0.551) 8.530 1.727 ( 2.500 0.000 1.830) 3.098 1.813 ( -3.281 0.000 -5.543) 6.442 1.878 ( 4.602 0.000 -0.242) 4.608 1.972 ( 2.760 0.000 2.300) 3.592 2.072 ( 2.141 0.000 2.468) 3.268 2.144 ( -0.546 0.000 1.543) 1.637 2.155 ( -0.010 0.000 -5.932) 5.932 2.424 ( 1.074 0.000 -4.817) 4.936 2.619 ( 1.728 0.000 2.075) 2.701 2.701 ( 1.148 0.000 -2.666) 2.902 2.850 ( -7.438 0.000 -0.956) 7.500 2.872 ( -1.228 0.000 0.923) 1.536 2.956 ( -5.349 0.000 5.020) 7.336 3.393 ( -3.587 0.000 -2.340) 4.283 3.462 ( -2.501 0.000 -2.176) 3.315 3.502 ( 3.149 0.000 4.406) 5.416 3.683 ( 0.353 0.000 1.446) 1.489 3.938 ( -1.067 0.000 -2.464) 2.685 4.102 ( -3.997 0.000 -4.885) 6.312 4.235 ( -3.115 0.000 -0.458) 3.148 4.392 ( -0.680 0.000 -5.911) 5.950 4.504 ( 4.422 0.000 -6.117) 7.548 4.853 ( 1.692 0.000 -13.689) 13.793 4.897 ( -2.917 0.000 4.989) 5.779 5.133 ( -8.158 0.000 8.027) 11.444 5.165 ( 2.284 0.000 -3.339) 4.045 5.395 ( -0.722 0.000 16.407) 16.423 5.764 ( 0.370 0.000 9.554) 9.561 5.834 ( -0.426 0.000 3.429) 3.455 5.928 ( 11.246 0.000 4.748) 12.207 5.979 ( 10.739 0.000 -3.643) 11.340 6.161 ( 3.565 0.000 -7.017) 7.871 6.200 ( 3.863 0.000 -2.277) 4.484 8.227 ( 4.450 0.000 4.717) 6.484 8.404 ( 5.124 0.000 -3.976) 6.485 9.140 ( -5.299 0.000 5.836) 7.883 9.278 ( -0.077 0.000 -1.436) 1.439 9.295 ( -3.959 0.000 -5.265) 6.587 9.439 ( -2.591 0.000 -3.021) 3.980 9.664 ( -0.167 0.000 4.414) 4.417 9.918 ( -1.728 0.000 3.036) 3.494 10.174 ( -2.234 0.000 -5.549) 5.982 10.458 ( 9.261 0.000 18.625) 20.801 10.944 ( -1.196 0.000 -0.063) 1.198 11.092 ( -1.452 0.000 -0.297) 1.482 11.473 ( -1.222 0.000 -3.123) 3.354 11.598 ( -10.377 0.000 -27.349) 29.252 11.738 ( 0.743 0.000 -1.069) 1.302 11.785 ( -0.029 0.000 13.656) 13.656 11.885 ( 5.350 0.000 -3.368) 6.322 12.303 ( 0.294 0.000 -5.341) 5.349 12.463 ( -2.792 0.000 7.988) 8.462 12.819 ( 0.949 0.000 1.177) 1.512 20.406 ( 0.598 0.000 3.198) 3.253 20.801 ( 3.749 0.000 -3.268) 4.974 20.958 ( -0.498 0.000 20.709) 20.715 21.270 ( -2.664 0.000 -3.830) 4.665 21.409 ( -6.247 0.000 2.508) 6.732 21.623 ( -16.080 0.000 -1.922) 16.194 21.725 ( 1.075 0.000 -0.752) 1.312 22.021 ( 3.495 0.000 20.513) 20.809 22.594 ( -2.986 0.000 -7.219) 7.813 22.761 ( -7.204 0.000 -9.930) 12.268 22.766 ( 9.919 0.000 3.687) 10.582 22.990 ( -0.734 0.000 -1.296) 1.490 23.420 ( 1.642 0.000 0.723) 1.794 23.601 ( 8.058 0.000 -0.688) 8.087 23.938 ( 0.567 0.000 7.410) 7.432 24.506 ( -3.555 0.000 -26.902) 27.136 ======================= Grid point 69 (27/110) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -6.342 0.000 24.681) 25.483 0.396 ( -15.561 0.000 7.367) 17.217 0.796 ( -34.570 0.000 5.623) 35.025 1.138 ( 0.775 0.000 -0.515) 0.931 1.306 ( 2.267 0.000 -0.550) 2.333 1.354 ( -1.144 0.000 -2.585) 2.827 1.469 ( -0.990 0.000 -0.847) 1.303 1.472 ( 2.966 0.000 0.711) 3.050 1.590 ( 1.528 0.000 -0.294) 1.556 1.721 ( -3.136 0.000 -2.635) 4.096 1.743 ( -0.312 0.000 -3.776) 3.789 1.952 ( 1.859 0.000 -1.648) 2.485 2.006 ( 3.125 0.000 -0.462) 3.159 2.129 ( 3.433 0.000 -1.275) 3.663 2.187 ( 4.272 0.000 -0.879) 4.361 2.213 ( 3.356 0.000 4.150) 5.337 2.342 ( -2.564 0.000 -13.131) 13.379 2.619 ( -5.735 0.000 4.136) 7.070 2.637 ( -6.178 0.000 -5.378) 8.191 2.686 ( -10.353 0.000 -0.527) 10.366 2.794 ( 3.449 0.000 7.343) 8.113 3.088 ( 7.971 0.000 9.990) 12.781 3.283 ( -5.270 0.000 -7.504) 9.170 3.423 ( -0.814 0.000 3.424) 3.519 3.558 ( 2.006 0.000 -1.117) 2.296 3.679 ( -2.352 0.000 0.239) 2.364 3.950 ( -1.683 0.000 4.537) 4.839 3.989 ( -4.056 0.000 -0.011) 4.056 4.173 ( 1.575 0.000 -4.278) 4.559 4.367 ( 3.086 0.000 -4.890) 5.782 4.585 ( 7.338 0.000 -9.938) 12.354 4.675 ( -4.203 0.000 -13.700) 14.331 4.887 ( -3.777 0.000 7.496) 8.393 5.028 ( -8.741 0.000 6.661) 10.990 5.187 ( 2.561 0.000 -2.442) 3.539 5.437 ( -7.172 0.000 8.241) 10.925 5.779 ( -2.139 0.000 -8.116) 8.393 5.827 ( -0.982 0.000 -6.827) 6.897 6.164 ( 7.161 0.000 2.903) 7.727 6.223 ( 4.868 0.000 1.773) 5.181 6.228 ( 10.944 0.000 9.122) 14.248 6.259 ( 6.666 0.000 5.480) 8.630 8.348 ( 2.842 0.000 4.402) 5.240 8.511 ( 8.925 0.000 -3.418) 9.557 9.071 ( -3.648 0.000 3.943) 5.372 9.181 ( -4.967 0.000 -3.178) 5.896 9.208 ( -2.878 0.000 -0.754) 2.975 9.438 ( 2.481 0.000 0.029) 2.481 9.670 ( -3.446 0.000 1.725) 3.853 9.932 ( -1.488 0.000 0.971) 1.776 10.112 ( 1.582 0.000 -2.280) 2.774 10.888 ( -25.257 0.000 -36.929) 44.740 10.912 ( 13.093 0.000 13.463) 18.779 10.929 ( -0.528 0.000 0.079) 0.534 11.112 ( 2.145 0.000 9.334) 9.577 11.502 ( 0.951 0.000 2.743) 2.903 11.702 ( -0.700 0.000 -4.743) 4.795 11.972 ( 3.469 0.000 1.506) 3.782 12.080 ( 17.373 0.000 34.409) 38.546 12.271 ( 1.170 0.000 -5.620) 5.740 12.475 ( -2.798 0.000 7.516) 8.020 12.818 ( -0.232 0.000 -2.454) 2.465 20.441 ( 0.309 0.000 2.497) 2.516 20.854 ( 5.000 0.000 -3.793) 6.276 21.183 ( -1.783 0.000 -6.195) 6.447 21.210 ( 7.961 0.000 17.053) 18.819 21.303 ( -10.048 0.000 -0.729) 10.074 21.373 ( -5.039 0.000 5.493) 7.454 21.726 ( 0.050 0.000 -1.301) 1.302 22.208 ( -24.091 0.000 -36.985) 44.139 22.533 ( 12.666 0.000 13.798) 18.730 22.710 ( 19.624 0.000 39.322) 43.947 22.920 ( 2.872 0.000 0.075) 2.873 23.000 ( 2.204 0.000 1.020) 2.428 23.452 ( 0.710 0.000 1.013) 1.237 23.712 ( 4.679 0.000 -2.789) 5.448 23.968 ( -23.993 0.000 -39.353) 46.091 23.992 ( -1.894 0.000 7.687) 7.916 ======================= Grid point 70 (28/110) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 4.752 9.485 8.895) 13.844 0.466 ( 2.292 14.820 8.035) 17.013 0.895 ( 1.177 14.630 23.916) 28.060 1.197 ( 1.794 3.356 -3.115) 4.918 1.248 ( 1.780 -4.818 -3.025) 5.960 1.369 ( -0.211 0.104 -2.444) 2.455 1.430 ( -1.782 1.231 -2.217) 3.100 1.480 ( 1.948 -0.408 -3.934) 4.408 1.512 ( -0.616 0.745 0.683) 1.184 1.642 ( -0.428 -0.910 -3.453) 3.597 1.735 ( -1.468 3.408 -7.570) 8.430 1.964 ( -1.229 -4.251 -0.790) 4.495 2.029 ( -1.088 -3.830 0.642) 4.033 2.094 ( -1.056 6.017 -6.990) 9.283 2.221 ( 0.993 2.783 -0.375) 2.979 2.261 ( -5.626 0.833 -0.456) 5.706 2.384 ( 6.731 -1.881 0.263) 6.993 2.456 ( 4.155 -4.339 -1.749) 6.257 2.560 ( 1.495 -1.962 1.092) 2.698 2.666 ( -3.105 4.915 1.032) 5.904 2.936 ( -11.071 -5.489 1.037) 12.400 2.993 ( 2.300 2.490 8.814) 9.444 3.327 ( 3.555 -4.209 -4.508) 7.119 3.445 ( 3.038 -5.767 8.102) 10.399 3.586 ( -2.377 1.045 0.148) 2.601 3.614 ( 2.372 -0.308 -2.492) 3.454 3.732 ( -2.242 -4.330 3.847) 6.211 3.969 ( 2.305 -0.956 0.537) 2.553 4.168 ( 3.992 -7.099 2.400) 8.491 4.175 ( -1.428 -11.788 6.664) 13.616 4.508 ( 11.830 0.733 -2.395) 12.092 4.767 ( 4.140 -2.735 4.025) 6.389 4.872 ( -7.272 -0.366 9.045) 11.612 4.998 ( -2.816 2.609 4.351) 5.803 5.207 ( 2.396 -1.338 -1.912) 3.344 5.266 ( -2.501 -6.233 -6.020) 9.020 5.541 ( -6.552 0.081 -10.916) 12.732 5.739 ( -3.140 6.121 -9.203) 11.491 6.157 ( -3.390 -3.505 -1.319) 5.051 6.250 ( 1.821 -1.853 -1.890) 3.212 6.356 ( 2.463 0.020 5.910) 6.403 6.552 ( 2.153 -4.777 6.887) 8.654 8.482 ( -2.577 8.411 -2.550) 9.159 8.579 ( 4.786 -2.533 -1.223) 5.552 8.971 ( -10.697 -0.570 4.541) 11.635 9.066 ( 4.055 -6.192 -0.730) 7.437 9.231 ( 4.115 1.693 0.473) 4.475 9.571 ( -5.876 1.238 3.414) 6.907 9.598 ( 6.761 4.324 -1.329) 8.135 9.897 ( -1.281 2.117 -5.841) 6.344 10.164 ( -10.922 3.293 4.107) 12.124 10.200 ( 2.457 1.536 5.464) 6.185 10.973 ( 1.273 4.319 -0.313) 4.514 11.044 ( 0.425 1.183 -0.894) 1.542 11.351 ( 4.807 -0.768 -4.135) 6.387 11.572 ( 4.808 -2.650 -4.183) 6.902 11.653 ( -0.105 2.110 5.927) 6.292 11.951 ( -1.610 -6.203 4.226) 7.677 12.246 ( -4.274 -1.686 14.164) 14.890 12.349 ( -0.093 0.927 -1.267) 1.573 12.745 ( -1.017 -2.773 -4.745) 5.589 12.991 ( 5.237 3.344 -6.060) 8.680 20.443 ( -15.583 -6.198 9.086) 19.073 20.457 ( -3.763 -2.313 5.005) 6.675 20.951 ( -1.624 0.039 -6.235) 6.443 21.133 ( 6.484 -0.757 -4.858) 8.137 21.308 ( 1.674 -1.283 3.860) 4.399 21.465 ( -7.497 6.795 -8.263) 13.063 21.618 ( -0.861 4.672 -4.603) 6.615 21.760 ( -2.843 7.857 -6.807) 10.778 22.595 ( 1.340 -1.605 2.495) 3.255 22.743 ( 2.880 -9.620 12.546) 16.069 22.998 ( -2.785 1.607 -4.098) 5.209 23.253 ( -10.399 4.010 -9.947) 14.939 23.528 ( -2.236 3.242 1.955) 4.397 23.734 ( 2.791 -1.900 -1.312) 3.622 23.970 ( -5.627 -0.244 5.128) 7.617 24.273 ( 35.309 -9.906 8.758) 37.703 ======================= Grid point 71 (29/110) ======================= q-point: ( 0.14 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 10.656 4.749 10.666) 15.807 0.775 ( 12.257 7.112 9.075) 16.827 1.150 ( 4.221 6.027 5.379) 9.115 1.192 ( 2.436 1.675 -1.922) 3.527 1.307 ( 8.181 2.614 -3.521) 9.282 1.350 ( -0.177 -3.908 1.040) 4.048 1.382 ( -2.708 0.049 0.529) 2.760 1.518 ( 0.722 2.127 1.644) 2.783 1.537 ( 2.041 -0.561 1.148) 2.408 1.638 ( 1.462 0.507 -6.250) 6.439 1.688 ( 6.917 1.835 -3.958) 8.178 1.878 ( -3.479 -3.686 -2.896) 5.838 1.984 ( -1.235 5.702 -6.057) 8.410 2.053 ( 0.022 -2.604 0.864) 2.743 2.125 ( -5.180 0.407 -0.241) 5.201 2.337 ( 5.447 2.372 -2.304) 6.372 2.469 ( 1.518 -3.203 0.366) 3.564 2.500 ( -5.025 2.547 -0.335) 5.644 2.573 ( 5.712 -2.689 4.482) 7.742 2.699 ( 4.098 -2.812 -0.294) 4.979 2.847 ( -0.500 0.748 1.537) 1.781 3.061 ( -1.161 0.266 5.443) 5.572 3.293 ( -1.363 -9.211 -4.497) 10.341 3.503 ( -0.335 -1.529 -1.816) 2.398 3.564 ( -0.164 1.243 3.363) 3.589 3.664 ( -2.432 -0.039 2.388) 3.408 3.749 ( 9.116 -5.926 0.298) 10.877 4.058 ( 5.956 -3.197 -1.661) 6.961 4.229 ( 2.324 -3.774 3.589) 5.703 4.375 ( 11.601 -12.855 1.810) 17.410 4.631 ( -4.602 -2.332 -1.410) 5.348 4.798 ( -4.867 0.868 2.353) 5.475 4.846 ( 1.303 1.149 7.443) 7.644 4.996 ( 1.887 0.934 0.880) 2.282 5.217 ( 2.314 -3.185 -6.426) 7.536 5.231 ( 1.881 0.134 -5.193) 5.525 5.384 ( 0.013 1.186 -3.249) 3.459 5.634 ( -0.432 5.727 -7.493) 9.441 6.026 ( -8.171 -3.744 -1.634) 9.135 6.235 ( -2.453 -1.080 -0.629) 2.753 6.400 ( -4.483 -1.045 4.341) 6.327 6.499 ( -8.396 -1.279 4.095) 9.428 8.349 ( -6.767 8.680 -2.452) 11.276 8.675 ( 0.949 -5.087 4.536) 6.881 8.807 ( -3.987 4.129 -2.614) 6.307 9.209 ( 8.978 -4.270 0.916) 9.984 9.314 ( 3.044 0.481 2.114) 3.737 9.474 ( -3.316 2.469 -2.990) 5.102 9.715 ( 2.394 3.103 3.338) 5.148 9.870 ( 2.289 1.905 -1.637) 3.398 10.074 ( -1.175 3.652 -0.743) 3.907 10.305 ( 1.474 0.875 5.998) 6.238 10.968 ( -0.831 3.262 0.100) 3.368 11.075 ( 2.578 1.177 -0.546) 2.886 11.384 ( 1.830 -2.588 -2.186) 3.850 11.597 ( 4.149 -0.715 -7.563) 8.656 11.703 ( -1.647 2.314 6.016) 6.653 11.946 ( -2.137 -7.316 3.557) 8.411 12.259 ( -2.430 -0.578 4.852) 5.457 12.329 ( -3.877 -5.362 6.255) 9.105 12.673 ( -0.696 0.089 -7.273) 7.306 12.876 ( -8.456 7.910 0.922) 11.616 20.314 ( -3.061 0.381 4.425) 5.394 20.502 ( 1.942 -1.663 4.302) 5.005 20.870 ( -0.952 1.944 -4.947) 5.400 21.273 ( 9.988 2.723 -2.445) 10.637 21.336 ( 1.356 6.354 -3.934) 7.596 21.462 ( 6.673 -3.800 4.481) 8.891 21.603 ( 2.500 1.602 -4.101) 5.063 21.745 ( 2.899 3.341 -1.171) 4.576 22.648 ( 0.569 -2.305 4.199) 4.824 22.831 ( -3.883 -0.339 -2.004) 4.383 22.912 ( 0.685 -2.588 4.043) 4.849 23.068 ( -2.704 2.394 -2.606) 4.453 23.507 ( -2.798 2.237 2.175) 4.190 23.764 ( 1.306 -1.514 -2.028) 2.848 23.834 ( -11.047 1.416 1.760) 11.276 24.701 ( 9.689 -13.664 -2.355) 16.915 ======================= Grid point 72 (30/110) ======================= q-point: ( 0.29 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 8.194 4.611 8.266) 12.519 1.027 ( 5.025 3.773 10.516) 12.251 1.151 ( -1.449 0.997 -4.502) 4.833 1.204 ( 1.239 -0.514 -4.823) 5.006 1.304 ( -2.680 -1.649 -2.613) 4.091 1.333 ( 1.786 -1.498 -0.762) 2.452 1.399 ( 3.328 0.683 -6.529) 7.360 1.509 ( -3.935 0.634 0.034) 3.986 1.569 ( 1.325 -0.664 -1.023) 1.801 1.768 ( 6.406 3.732 9.090) 11.730 1.809 ( 5.407 -1.534 -1.462) 5.807 1.844 ( 3.805 -2.652 -1.912) 5.016 1.947 ( 1.079 4.903 -3.685) 6.228 1.983 ( -4.962 1.957 -0.470) 5.355 2.094 ( -0.576 -0.255 0.798) 1.017 2.360 ( 1.964 -0.240 -4.515) 4.930 2.410 ( -1.676 -1.522 -0.130) 2.268 2.508 ( 2.381 -0.539 -4.541) 5.156 2.713 ( -0.541 1.337 12.886) 12.967 2.748 ( 3.019 -2.941 -5.561) 6.977 2.927 ( 7.887 1.901 0.888) 8.161 3.063 ( -2.663 -0.013 3.217) 4.177 3.237 ( -0.221 -6.111 -2.732) 6.698 3.483 ( 1.404 -2.774 -3.249) 4.497 3.591 ( -0.520 0.661 3.324) 3.428 3.650 ( -1.206 -0.081 1.371) 1.828 3.937 ( 8.370 -8.668 0.474) 12.059 4.190 ( 8.719 -6.450 -1.356) 10.930 4.307 ( 0.270 -4.312 4.926) 6.552 4.460 ( -4.796 -3.880 -5.976) 8.589 4.567 ( -0.866 -0.466 -7.181) 7.248 4.609 ( 0.614 -2.598 -1.780) 3.208 5.007 ( 4.176 3.687 3.498) 6.578 5.046 ( 0.993 0.848 4.982) 5.150 5.162 ( -2.927 2.996 -1.289) 4.382 5.235 ( 2.164 1.908 -0.941) 3.034 5.473 ( 7.951 -2.226 -1.831) 8.458 5.585 ( -0.790 2.806 -1.359) 3.216 5.851 ( -7.920 -2.001 -0.773) 8.205 6.131 ( -9.444 -2.462 2.107) 9.985 6.238 ( -8.875 -0.089 0.247) 8.879 6.442 ( -3.491 3.093 3.015) 5.553 8.223 ( -4.480 8.351 -0.726) 9.505 8.604 ( -7.583 3.250 3.026) 8.787 8.855 ( 6.079 -4.178 -1.289) 7.488 9.308 ( -1.394 2.037 -1.588) 2.936 9.391 ( 6.984 -3.261 -0.197) 7.711 9.466 ( 4.318 2.217 -1.395) 5.051 9.737 ( -3.004 4.336 3.388) 6.270 9.945 ( 5.048 -0.577 1.104) 5.200 10.059 ( 0.852 3.315 -2.276) 4.110 10.351 ( -1.657 0.789 4.477) 4.838 10.963 ( 0.206 -0.456 0.698) 0.859 11.117 ( 1.929 1.242 -0.383) 2.325 11.379 ( -0.756 -4.888 -1.572) 5.190 11.621 ( 4.731 3.184 -6.037) 8.305 11.679 ( -5.392 -1.392 5.150) 7.585 11.939 ( 0.323 -3.089 -1.468) 3.435 12.249 ( -1.954 -3.887 1.768) 4.696 12.323 ( -3.394 -7.448 8.065) 11.491 12.593 ( -0.373 4.700 -8.689) 9.886 12.767 ( -4.902 8.473 3.983) 10.568 20.323 ( -0.086 0.597 2.538) 2.609 20.595 ( 2.904 -2.932 5.046) 6.518 20.826 ( 0.328 3.509 -4.122) 5.423 21.339 ( 1.099 1.752 -1.765) 2.719 21.438 ( 7.063 -0.708 0.444) 7.113 21.613 ( 5.254 -0.683 -1.844) 5.609 21.691 ( 9.229 0.346 3.456) 9.860 21.827 ( 5.368 5.516 -0.794) 7.737 22.596 ( -6.565 -0.418 -3.182) 7.307 22.768 ( 0.329 2.112 2.984) 3.670 22.986 ( 1.197 -3.153 2.117) 3.982 23.079 ( 2.144 -0.641 2.131) 3.090 23.451 ( -4.222 0.568 0.869) 4.348 23.623 ( -9.338 3.342 -0.742) 9.946 23.739 ( -1.689 -1.151 -2.392) 3.146 24.759 ( 1.778 -9.047 -5.007) 10.492 ======================= Grid point 73 (31/110) ======================= q-point: ( 0.43 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -4.639 4.511 0.042) 6.471 1.065 ( -5.640 4.414 0.552) 7.183 1.132 ( -1.789 -4.368 -1.004) 4.826 1.220 ( 4.641 2.046 -3.032) 5.909 1.261 ( 2.284 -0.678 -0.120) 2.385 1.399 ( 3.309 -1.675 -0.537) 3.747 1.421 ( -2.296 2.218 1.304) 3.448 1.454 ( 5.066 2.317 -1.289) 5.718 1.599 ( 2.088 -1.517 0.723) 2.680 1.802 ( -3.734 -1.480 -1.652) 4.343 1.831 ( 1.753 -1.985 -2.075) 3.364 1.908 ( 2.959 0.811 -2.836) 4.178 1.937 ( -0.711 3.679 0.820) 3.836 2.020 ( -1.033 -2.569 3.705) 4.625 2.103 ( 2.488 3.716 7.117) 8.406 2.370 ( 1.644 -2.542 -2.551) 3.959 2.394 ( 0.817 -2.375 -2.472) 3.524 2.509 ( 1.480 0.939 -5.598) 5.866 2.735 ( 1.512 -1.737 -6.371) 6.775 2.778 ( -0.671 3.770 7.254) 8.202 3.009 ( -3.285 -0.150 -0.146) 3.292 3.088 ( 3.573 0.964 4.355) 5.715 3.245 ( 2.025 -5.227 0.070) 5.606 3.497 ( 2.300 -4.063 -2.434) 5.266 3.592 ( -1.869 0.464 1.296) 2.321 3.630 ( -1.617 -0.392 1.060) 1.973 4.067 ( 5.251 -5.844 -3.100) 8.446 4.240 ( -4.301 -1.916 -3.585) 5.918 4.305 ( 0.221 0.616 -3.859) 3.914 4.327 ( -3.309 -10.332 -4.387) 11.703 4.462 ( 3.389 -3.527 -1.717) 5.184 4.736 ( 8.323 -3.751 -5.258) 10.535 5.023 ( -7.108 0.570 4.600) 8.485 5.111 ( 3.445 4.715 3.679) 6.901 5.170 ( 1.771 5.952 5.785) 8.487 5.303 ( 2.943 2.733 3.256) 5.171 5.507 ( -2.098 -0.198 0.067) 2.109 5.639 ( 4.111 -0.472 1.940) 4.570 5.752 ( -1.050 1.948 0.938) 2.403 5.955 ( -9.684 -2.931 3.066) 10.572 6.128 ( -1.863 -1.704 -2.552) 3.590 6.384 ( -3.383 4.878 -1.006) 6.021 8.174 ( -0.770 8.515 1.364) 8.658 8.496 ( -4.372 4.743 -1.187) 6.559 8.953 ( 3.301 -6.547 3.400) 8.082 9.285 ( 1.239 3.642 -2.320) 4.492 9.489 ( 2.740 -3.043 -0.749) 4.163 9.532 ( 3.581 2.646 -2.517) 5.115 9.673 ( -5.372 4.087 1.946) 7.025 10.025 ( 1.379 -1.607 -1.220) 2.444 10.093 ( 3.742 2.643 1.955) 4.981 10.322 ( -3.983 2.324 2.789) 5.389 10.982 ( 0.556 -2.173 0.451) 2.288 11.131 ( -0.198 -0.757 -0.174) 0.802 11.352 ( 0.218 -6.987 -0.967) 7.057 11.611 ( -3.738 -1.873 1.712) 4.518 11.680 ( 3.628 3.163 0.034) 4.813 11.927 ( 1.755 0.485 -5.822) 6.100 12.170 ( -6.364 -6.008 -3.978) 9.614 12.326 ( -1.823 -5.906 4.085) 7.409 12.538 ( 0.923 8.138 -3.581) 8.939 12.752 ( -0.837 5.964 4.277) 7.386 20.346 ( -0.050 0.571 3.007) 3.061 20.681 ( 0.607 -4.366 6.212) 7.617 20.812 ( 1.597 3.978 -2.860) 5.153 21.336 ( 0.194 -1.085 -2.071) 2.346 21.531 ( 2.848 -3.187 0.190) 4.278 21.707 ( 4.109 1.829 3.503) 5.701 21.861 ( -0.512 6.620 -2.958) 7.269 21.927 ( 7.429 2.269 6.248) 9.968 22.486 ( -1.193 2.364 -0.740) 2.749 22.783 ( -1.666 0.901 0.199) 1.904 22.994 ( -0.600 -2.722 -1.640) 3.234 23.077 ( -3.175 -1.397 -1.018) 3.615 23.390 ( -2.018 0.020 0.877) 2.201 23.523 ( -1.400 4.709 -0.683) 4.960 23.704 ( 0.772 -2.474 1.324) 2.910 24.717 ( 0.156 -7.526 -8.214) 11.142 ======================= Grid point 74 (32/110) ======================= q-point: (-0.43 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -11.160 2.865 -5.223) 12.650 0.926 ( -8.043 6.376 -1.137) 10.327 1.098 ( 1.347 -1.038 -1.104) 2.028 1.256 ( 1.329 4.422 -0.976) 4.719 1.316 ( 3.286 -1.286 -1.878) 3.998 1.414 ( -0.565 -0.135 0.808) 0.995 1.427 ( 0.032 -1.484 0.941) 1.757 1.563 ( 3.730 3.497 0.507) 5.138 1.665 ( 2.716 -0.678 4.364) 5.184 1.739 ( -2.609 -2.330 -1.192) 3.696 1.816 ( 0.248 -0.483 -1.773) 1.854 1.917 ( 1.018 -1.949 -5.149) 5.599 1.953 ( -1.759 -1.040 -0.208) 2.054 1.991 ( -0.092 -0.155 5.937) 5.939 2.201 ( 0.101 4.054 2.143) 4.586 2.318 ( -4.910 3.284 -3.228) 6.732 2.414 ( 2.764 -0.732 -2.722) 3.948 2.474 ( 1.454 -4.765 -2.653) 5.644 2.693 ( -1.220 -2.163 -2.961) 3.864 2.843 ( 1.504 2.906 4.924) 5.912 2.942 ( -2.765 -0.969 -1.049) 3.112 3.110 ( -4.498 2.373 2.741) 5.777 3.315 ( 3.087 -5.711 3.980) 7.614 3.513 ( 1.358 -1.218 -2.388) 3.005 3.541 ( -3.245 3.071 -0.840) 4.546 3.612 ( -2.095 -4.293 1.658) 5.056 4.021 ( -3.104 -2.238 -6.109) 7.209 4.143 ( -0.933 -2.784 -7.721) 8.261 4.199 ( -2.746 -6.566 -1.710) 7.319 4.382 ( 5.429 -5.265 -3.989) 8.550 4.480 ( -0.286 -3.027 -2.146) 3.722 4.807 ( 3.178 -4.418 -7.755) 9.474 4.924 ( -5.884 1.088 5.025) 7.814 5.148 ( -3.615 0.459 7.153) 8.028 5.289 ( -3.139 5.156 -0.016) 6.036 5.329 ( 3.180 5.229 9.457) 11.264 5.592 ( 8.659 -0.282 6.951) 11.107 5.701 ( 0.360 -1.708 3.614) 4.014 5.805 ( -1.551 2.362 2.222) 3.595 5.868 ( 5.130 -1.994 0.319) 5.513 6.119 ( 3.217 -2.388 -3.392) 5.250 6.305 ( -1.764 5.964 -5.009) 7.986 8.217 ( 3.028 9.066 3.229) 10.089 8.425 ( -0.693 3.955 -3.355) 5.233 9.046 ( 1.592 -5.667 6.426) 8.714 9.291 ( 0.534 2.260 -1.607) 2.824 9.454 ( -3.961 -1.553 -4.796) 6.411 9.529 ( -0.332 3.640 -5.511) 6.613 9.633 ( -1.367 0.727 5.165) 5.392 9.982 ( -3.340 -0.508 -1.243) 3.600 10.201 ( 2.147 1.651 4.314) 5.094 10.284 ( -0.108 1.871 2.139) 2.844 10.973 ( -1.467 -0.629 0.638) 1.719 11.125 ( -0.235 -0.636 -0.069) 0.681 11.376 ( 1.665 -8.254 0.026) 8.420 11.573 ( -1.144 -3.772 0.659) 3.996 11.757 ( 2.888 1.889 1.543) 3.781 11.877 ( -1.495 -3.775 -13.031) 13.649 11.987 ( -4.702 4.418 -2.001) 6.755 12.328 ( 0.183 -3.227 0.047) 3.233 12.545 ( 0.692 8.808 0.278) 8.840 12.791 ( 0.812 2.293 3.280) 4.084 20.373 ( -0.111 0.347 3.506) 3.524 20.724 ( -1.634 -5.411 6.156) 8.357 20.837 ( 1.849 2.258 0.335) 2.938 21.307 ( -0.800 -2.745 -3.498) 4.518 21.567 ( -0.299 0.770 2.375) 2.515 21.732 ( -5.817 5.007 -2.893) 8.202 21.853 ( 2.361 1.822 9.456) 9.915 21.987 ( -6.513 5.165 3.234) 8.919 22.569 ( 7.494 2.545 3.180) 8.529 22.702 ( -3.754 -0.165 -4.008) 5.494 22.918 ( -5.108 -2.140 -4.608) 7.205 23.023 ( 0.754 -0.794 -3.068) 3.257 23.397 ( 1.576 1.010 1.101) 2.171 23.517 ( 2.538 3.748 -0.894) 4.614 23.799 ( 3.702 -3.356 5.831) 7.679 24.616 ( -1.251 -8.080 -13.604) 15.872 ======================= Grid point 75 (33/110) ======================= q-point: (-0.29 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -11.235 7.852 -0.080) 13.707 0.729 ( -11.294 5.604 0.582) 12.621 1.121 ( 0.681 0.204 -2.363) 2.468 1.249 ( -1.826 3.811 -2.189) 4.759 1.338 ( -3.966 -1.021 0.424) 4.117 1.389 ( 1.630 -3.039 -2.055) 4.014 1.435 ( -0.392 0.457 1.222) 1.362 1.541 ( -5.388 3.544 -2.098) 6.782 1.637 ( -6.655 0.854 0.554) 6.732 1.758 ( 2.365 0.666 0.469) 2.501 1.793 ( -3.043 -2.213 -5.595) 6.743 1.874 ( 5.283 -1.136 3.085) 6.222 1.978 ( 0.861 0.875 1.090) 1.641 2.061 ( 1.532 -1.245 3.666) 4.163 2.161 ( 0.012 -1.229 -4.632) 4.793 2.206 ( -0.823 5.995 -4.173) 7.351 2.437 ( 2.734 2.314 -3.375) 4.922 2.540 ( 1.675 -4.549 5.235) 7.135 2.651 ( -0.833 -2.969 -1.188) 3.305 2.817 ( -7.167 -2.457 -0.179) 7.579 2.953 ( 0.936 4.523 0.328) 4.630 3.001 ( -6.147 3.267 5.225) 8.704 3.385 ( -0.300 -2.716 1.164) 2.970 3.473 ( -4.604 -1.943 -3.856) 6.312 3.494 ( -0.056 1.262 1.418) 1.899 3.595 ( 0.739 -6.166 1.881) 6.488 3.935 ( -3.457 -1.406 0.317) 3.746 4.049 ( -0.754 -3.776 -8.666) 9.483 4.138 ( -2.340 -7.566 -2.173) 8.213 4.394 ( -1.295 -0.547 -4.044) 4.282 4.485 ( 6.609 -2.840 -6.025) 9.383 4.665 ( -10.739 -8.112 -3.563) 13.922 4.932 ( 2.099 -0.593 0.288) 2.200 5.100 ( -8.245 -0.675 7.547) 11.198 5.203 ( -2.346 2.143 -1.785) 3.645 5.489 ( 1.683 4.324 9.623) 10.683 5.624 ( -6.870 -8.767 2.035) 11.323 5.854 ( 6.962 0.960 8.065) 10.698 5.921 ( 10.934 0.618 3.904) 11.626 6.043 ( 9.885 1.806 1.000) 10.098 6.167 ( 4.867 -0.335 -5.414) 7.288 6.246 ( 1.162 4.728 -4.883) 6.896 8.338 ( 5.801 9.863 3.820) 12.063 8.419 ( 3.372 2.128 -3.393) 5.236 9.097 ( -2.965 -2.986 6.791) 7.989 9.260 ( -2.426 -0.258 -2.358) 3.392 9.301 ( -6.468 -2.763 -5.485) 8.919 9.464 ( -0.172 3.171 -4.294) 5.340 9.660 ( -0.699 -0.444 3.987) 4.072 9.948 ( -0.257 2.456 3.564) 4.336 10.152 ( -3.156 -1.436 -5.645) 6.625 10.423 ( 3.043 -2.721 13.180) 13.798 10.957 ( -1.256 0.469 1.083) 1.724 11.121 ( -0.211 3.528 0.843) 3.633 11.368 ( -1.606 -7.781 -6.476) 10.250 11.541 ( -0.882 -1.143 -9.405) 9.515 11.652 ( -4.180 -3.848 -2.437) 6.183 11.858 ( 4.043 -1.522 -0.162) 4.323 11.999 ( 1.032 10.485 7.738) 13.072 12.336 ( 1.738 -0.103 -2.419) 2.980 12.568 ( 2.313 10.002 -0.138) 10.267 12.820 ( 0.146 -0.113 0.813) 0.834 20.404 ( 0.130 -0.170 3.485) 3.491 20.729 ( -4.214 -8.271 7.640) 12.022 20.883 ( 1.911 -0.722 2.159) 2.972 21.245 ( -1.497 -2.773 -5.052) 5.954 21.553 ( -8.853 -2.300 1.457) 9.262 21.572 ( -3.918 9.503 0.864) 10.315 21.808 ( -6.842 4.845 -1.666) 8.547 22.066 ( 4.461 3.584 21.446) 22.196 22.532 ( -5.765 -3.796 -8.447) 10.909 22.729 ( -6.967 -2.524 -7.336) 10.427 22.820 ( 9.879 4.165 3.772) 11.365 23.049 ( 3.771 4.036 0.324) 5.533 23.442 ( 1.864 2.225 0.658) 2.976 23.615 ( 7.038 1.338 -1.363) 7.292 23.900 ( 0.877 -3.460 7.091) 7.939 24.400 ( -5.880 -9.092 -22.883) 25.315 ======================= Grid point 76 (34/110) ======================= q-point: (-0.14 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -9.195 8.394 4.872) 13.369 0.582 ( -8.439 9.638 9.554) 15.981 0.909 ( -20.591 9.679 5.720) 23.461 1.182 ( 0.964 3.317 -2.610) 4.329 1.271 ( -1.408 -2.884 -1.240) 3.441 1.392 ( -1.463 2.439 -0.953) 2.999 1.439 ( 3.253 -1.062 -2.246) 4.093 1.490 ( 1.109 0.811 -0.069) 1.376 1.537 ( -3.214 -0.996 -2.188) 4.014 1.705 ( -2.430 -1.397 -3.339) 4.359 1.789 ( 1.344 2.029 -3.188) 4.011 1.958 ( -0.216 -2.498 -1.036) 2.712 2.035 ( 6.658 1.155 1.249) 6.872 2.082 ( -1.686 -3.831 1.317) 4.388 2.210 ( 3.948 6.033 -1.294) 7.325 2.227 ( 6.265 -2.710 0.328) 6.833 2.432 ( 0.694 6.283 -10.755) 12.475 2.527 ( -8.019 -5.329 1.730) 9.783 2.576 ( -4.880 -3.019 -4.375) 7.216 2.727 ( -3.786 0.876 4.393) 5.866 2.861 ( -0.937 6.024 6.078) 8.609 3.104 ( 1.902 -1.019 7.918) 8.206 3.267 ( -5.491 -2.818 -8.313) 10.354 3.387 ( -1.687 -4.122 2.445) 5.081 3.540 ( 2.143 -0.944 3.056) 3.850 3.627 ( -0.953 -1.138 1.453) 2.077 3.847 ( -8.702 -6.169 2.016) 10.856 4.007 ( -0.549 -1.482 -2.666) 3.100 4.072 ( 1.823 -6.462 -3.225) 7.448 4.309 ( -9.105 -7.793 -0.847) 12.015 4.422 ( -3.359 -5.747 -3.798) 7.663 4.604 ( 9.624 -0.830 -3.510) 10.278 4.976 ( 0.366 1.219 3.399) 3.629 4.982 ( -10.400 0.643 8.630) 13.529 5.180 ( 1.676 -0.419 -2.449) 2.997 5.414 ( -8.747 -5.699 -0.083) 10.440 5.643 ( 1.571 -5.387 0.452) 5.630 5.902 ( -2.907 2.275 -5.807) 6.881 6.157 ( 4.220 -2.071 2.662) 5.402 6.197 ( 5.903 -0.103 -3.302) 6.765 6.234 ( 5.867 -0.147 3.001) 6.592 6.330 ( 8.789 3.995 6.205) 11.477 8.452 ( 5.017 2.827 -1.944) 6.078 8.509 ( 5.315 6.792 1.041) 8.687 9.066 ( -4.422 -1.007 5.129) 6.846 9.119 ( -7.234 -6.193 -2.879) 9.949 9.194 ( -0.767 0.658 -2.421) 2.623 9.486 ( 3.719 3.101 -0.008) 4.842 9.658 ( -2.831 -1.069 1.927) 3.587 9.983 ( -1.860 4.159 -1.566) 4.818 10.078 ( 2.379 -2.422 0.765) 3.480 10.461 ( -14.083 -10.761 7.410) 19.210 10.938 ( 0.852 1.638 -1.023) 2.111 11.094 ( -3.272 4.429 -3.020) 6.280 11.271 ( 5.960 4.648 -7.452) 10.614 11.504 ( 2.771 0.613 -1.551) 3.234 11.633 ( -0.967 -2.919 2.637) 4.051 11.924 ( 1.431 -3.793 2.502) 4.764 12.141 ( 0.159 5.229 18.794) 19.508 12.349 ( 2.171 2.641 -3.553) 4.931 12.698 ( 13.925 10.739 -2.014) 17.700 12.815 ( 1.067 0.709 -1.996) 2.371 20.434 ( -0.043 -0.701 2.889) 2.974 20.676 ( -11.208 -14.345 11.164) 21.355 20.949 ( 3.649 -2.938 -0.067) 4.685 21.169 ( -1.096 -3.380 -7.686) 8.467 21.335 ( -9.503 0.801 2.660) 9.900 21.566 ( -0.704 7.604 0.970) 7.698 21.712 ( -3.194 -1.522 -1.282) 3.763 22.187 ( -16.330 -1.077 -25.787) 30.542 22.441 ( 9.736 -2.653 24.903) 26.870 22.600 ( -2.529 -2.575 2.439) 4.356 22.999 ( 4.851 2.470 0.677) 5.486 23.275 ( 18.108 9.971 8.343) 22.292 23.482 ( 2.853 3.889 2.150) 5.281 23.697 ( 2.686 -1.265 -2.618) 3.958 23.926 ( -8.399 -1.778 -11.567) 14.405 24.003 ( -5.933 -0.978 -6.824) 9.096 ======================= Grid point 77 (35/110) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 4.873 14.985 -1.797) 15.860 0.775 ( 1.786 14.849 3.850) 15.444 1.160 ( 5.900 7.717 5.094) 10.968 1.184 ( -1.148 1.030 5.943) 6.140 1.270 ( 2.979 3.676 -0.069) 4.732 1.328 ( -2.152 -3.627 -3.284) 5.345 1.474 ( -0.859 2.518 -4.165) 4.942 1.507 ( 0.120 3.473 -3.532) 4.955 1.551 ( 2.283 2.504 -0.936) 3.515 1.627 ( 0.770 -0.193 -3.795) 3.877 1.782 ( -2.997 -0.133 -4.440) 5.359 1.859 ( -2.908 -4.757 0.567) 5.604 1.940 ( 1.842 -3.463 1.039) 4.057 2.123 ( -1.888 -3.062 -1.330) 3.835 2.194 ( -1.987 -4.535 2.356) 5.484 2.281 ( 0.208 -0.577 -0.937) 1.120 2.369 ( 2.776 1.812 -3.343) 4.708 2.457 ( 4.022 2.674 0.472) 4.853 2.527 ( 0.395 -0.806 2.028) 2.218 2.756 ( -5.609 1.177 -2.534) 6.267 2.846 ( -0.998 -0.318 2.339) 2.563 3.012 ( 0.742 -1.906 4.899) 5.309 3.205 ( -2.191 -8.003 -4.035) 9.227 3.355 ( -2.917 -1.690 4.043) 5.264 3.581 ( -2.373 -1.500 -4.459) 5.269 3.631 ( 7.829 -4.735 0.441) 9.160 3.684 ( -0.645 3.682 -2.988) 4.786 3.944 ( 0.258 -1.261 2.343) 2.673 3.957 ( -0.712 -8.214 4.046) 9.184 4.077 ( 2.493 -3.162 5.044) 6.454 4.530 ( 12.148 1.536 -1.578) 12.346 4.708 ( 2.584 -2.953 4.108) 5.681 4.859 ( -5.993 -0.545 5.274) 8.002 5.021 ( -5.839 -1.217 3.172) 6.755 5.155 ( -0.915 -3.341 -4.344) 5.556 5.171 ( 1.227 -1.909 -1.336) 2.633 5.502 ( -1.852 -1.773 -2.918) 3.884 5.853 ( -2.679 4.878 -6.820) 8.803 6.075 ( -3.442 -5.171 -2.764) 6.799 6.188 ( 3.183 -4.030 -4.922) 7.113 6.356 ( 1.336 0.073 5.652) 5.809 6.490 ( -0.266 -2.572 5.527) 6.102 8.479 ( 3.476 -2.989 -0.888) 4.670 8.726 ( -5.403 9.699 -4.730) 12.068 8.899 ( 5.081 -6.750 1.033) 8.512 9.011 ( -5.213 2.359 2.657) 6.309 9.272 ( 3.035 2.318 -0.292) 3.830 9.588 ( -3.790 0.248 1.853) 4.226 9.638 ( 6.367 0.568 1.205) 6.505 9.892 ( -0.308 -2.764 -3.804) 4.712 10.289 ( -2.409 8.866 7.045) 11.578 10.291 ( -3.714 6.993 4.821) 9.270 11.043 ( 5.667 2.466 -0.924) 6.249 11.098 ( -3.988 3.750 -0.233) 5.479 11.327 ( 2.027 -1.717 -3.530) 4.418 11.554 ( 3.259 0.845 -4.322) 5.479 11.719 ( 2.408 3.900 4.774) 6.618 11.820 ( -1.714 -6.907 2.237) 7.460 12.222 ( -5.980 0.178 11.602) 13.053 12.455 ( -2.617 6.376 -5.332) 8.714 12.668 ( 0.864 -4.224 -2.111) 4.800 12.994 ( 3.378 -2.119 -3.404) 5.243 20.372 ( -7.886 -1.350 6.613) 10.380 20.427 ( -0.741 -1.627 3.410) 3.850 20.946 ( 0.340 -0.275 -5.941) 5.957 21.091 ( 9.416 -2.962 -4.008) 10.653 21.286 ( -1.667 -0.238 3.981) 4.323 21.497 ( -1.479 -3.047 -5.036) 6.069 21.694 ( -2.930 6.262 -0.497) 6.932 21.941 ( -3.580 6.905 -13.144) 15.273 22.549 ( 0.345 -2.676 3.783) 4.647 22.614 ( 4.265 -4.190 10.422) 12.016 23.046 ( -3.282 3.022 -4.568) 6.385 23.275 ( -7.042 -0.791 -8.576) 11.125 23.589 ( -0.389 2.465 0.712) 2.595 23.696 ( 1.829 -1.682 -0.090) 2.486 23.969 ( -3.756 0.212 5.263) 6.469 24.133 ( 15.935 -4.767 8.845) 18.838 ======================= Grid point 78 (36/110) ======================= q-point: ( 0.14 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 8.308 10.458 5.664) 14.508 0.937 ( 7.786 7.871 4.399) 11.913 1.175 ( 1.203 -0.172 -0.925) 1.527 1.225 ( -1.204 -0.199 -6.685) 6.796 1.306 ( 1.304 0.602 -1.147) 1.838 1.376 ( -2.213 -0.425 -0.711) 2.363 1.438 ( 5.730 6.840 1.331) 9.021 1.524 ( 4.295 0.631 2.239) 4.885 1.591 ( -1.474 3.111 2.852) 4.471 1.653 ( 3.008 1.615 -6.972) 7.763 1.707 ( 2.952 -0.567 -1.833) 3.521 1.803 ( -1.817 -2.674 -0.592) 3.287 1.970 ( -0.033 -2.553 -1.309) 2.869 2.067 ( 0.482 -0.306 0.060) 0.574 2.171 ( -1.667 1.477 1.688) 2.795 2.312 ( -0.362 -3.522 0.027) 3.540 2.455 ( 4.226 1.053 0.003) 4.355 2.509 ( 0.539 2.852 -0.741) 2.996 2.600 ( 5.305 -3.873 0.831) 6.621 2.628 ( -2.537 2.676 0.802) 3.774 2.885 ( 2.604 2.572 0.251) 3.669 3.033 ( 0.134 -4.473 -0.553) 4.509 3.112 ( -2.383 -7.262 -1.424) 7.775 3.381 ( 0.718 -9.114 5.014) 10.427 3.584 ( 0.999 -1.779 -0.970) 2.259 3.626 ( -1.276 -0.721 1.042) 1.798 3.690 ( 3.327 0.305 -4.901) 5.931 4.013 ( 4.284 -4.123 -1.326) 6.092 4.070 ( 5.618 -7.420 2.187) 9.561 4.242 ( 11.091 -2.561 4.762) 12.339 4.587 ( -8.863 -1.514 -0.719) 9.020 4.815 ( 2.340 0.963 2.569) 3.606 4.854 ( 1.725 -0.532 8.381) 8.573 4.984 ( 3.702 -1.628 -1.799) 4.426 5.125 ( 0.725 -4.361 -5.229) 6.847 5.184 ( 3.801 -3.576 -2.452) 5.766 5.450 ( -1.319 4.188 -0.211) 4.396 5.747 ( -2.871 5.177 -5.351) 7.980 5.944 ( -6.119 -4.328 -3.805) 8.406 6.187 ( -1.712 -3.672 -1.315) 4.259 6.382 ( -4.467 -0.845 2.721) 5.299 6.466 ( -3.600 -2.121 4.694) 6.284 8.530 ( -0.248 3.337 -3.101) 4.562 8.602 ( -1.365 3.252 0.440) 3.554 8.912 ( -4.556 5.432 -1.141) 7.181 9.076 ( 9.916 -7.819 2.454) 12.864 9.336 ( 3.080 1.708 0.549) 3.565 9.512 ( -2.711 1.005 -2.946) 4.128 9.765 ( 3.477 1.635 4.161) 5.664 9.895 ( 3.309 -0.404 -2.659) 4.264 10.178 ( -5.407 7.377 3.371) 9.748 10.376 ( -0.775 6.272 6.332) 8.946 11.024 ( -4.065 1.350 0.563) 4.320 11.124 ( 3.431 3.642 -2.392) 5.546 11.320 ( -0.531 -3.769 -0.519) 3.841 11.579 ( 1.716 -0.653 -0.992) 2.087 11.747 ( -1.883 0.891 -1.015) 2.317 11.847 ( 2.189 -1.311 5.051) 5.658 12.213 ( -5.166 -1.967 10.870) 12.195 12.309 ( -5.380 -0.044 -5.796) 7.908 12.683 ( 2.453 1.359 -4.078) 4.949 12.953 ( -3.860 0.487 -0.941) 4.002 20.327 ( -1.838 0.794 3.462) 4.000 20.459 ( 0.896 -2.428 3.886) 4.669 20.914 ( 1.701 2.588 -4.991) 5.873 21.289 ( 11.132 -0.503 -2.670) 11.459 21.347 ( 5.012 -4.325 2.266) 6.997 21.446 ( 0.961 -0.384 -6.030) 6.118 21.661 ( 1.479 5.482 -1.413) 5.851 21.857 ( 2.986 6.416 -3.990) 8.124 22.600 ( 0.377 -2.205 4.257) 4.809 22.775 ( 4.797 -4.217 5.533) 8.451 22.923 ( -4.932 2.488 -2.702) 6.150 23.090 ( -4.010 -0.006 -4.778) 6.238 23.560 ( -3.593 2.784 0.749) 4.607 23.726 ( 0.479 -2.046 -1.165) 2.403 23.882 ( -8.355 3.314 3.382) 9.603 24.435 ( 8.169 -11.812 4.156) 14.951 ======================= Grid point 79 (37/110) ======================= q-point: ( 0.29 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 8.913 6.049 6.023) 12.341 1.110 ( 1.209 2.347 2.473) 3.618 1.134 ( 4.156 -1.054 -7.859) 8.952 1.207 ( 1.773 1.210 -0.163) 2.153 1.266 ( -1.710 -1.573 -2.696) 3.559 1.362 ( -4.341 5.293 2.504) 7.289 1.447 ( 4.122 2.492 -5.279) 7.146 1.515 ( -3.643 1.090 -0.018) 3.803 1.581 ( 0.562 1.776 -2.900) 3.447 1.731 ( 3.032 -5.827 -0.160) 6.571 1.802 ( 3.984 -1.791 -1.983) 4.797 1.816 ( 3.833 1.423 2.704) 4.902 1.982 ( 0.267 2.665 2.002) 3.344 2.055 ( -3.662 -2.898 1.934) 5.055 2.151 ( 0.779 7.224 -2.621) 7.724 2.299 ( 0.245 -4.053 0.461) 4.087 2.394 ( -3.300 0.606 -2.433) 4.145 2.559 ( 4.508 4.685 -4.799) 8.081 2.660 ( 3.538 -5.035 1.018) 6.238 2.751 ( 2.879 2.070 7.684) 8.463 2.954 ( 3.989 -0.698 1.175) 4.217 3.038 ( 1.363 -3.573 -1.236) 4.019 3.097 ( 0.403 -5.756 0.190) 5.773 3.396 ( -1.304 -7.136 -1.080) 7.334 3.590 ( -2.018 -2.217 1.632) 3.414 3.618 ( 1.323 -1.314 2.431) 3.064 3.765 ( 6.525 -4.565 -2.110) 8.239 4.071 ( 2.751 -7.840 -2.114) 8.574 4.228 ( 9.177 -1.559 1.995) 9.520 4.393 ( -7.039 -1.876 -5.046) 8.862 4.477 ( 10.160 -4.894 -2.391) 11.528 4.671 ( -8.923 4.074 -3.496) 10.413 5.028 ( 0.669 0.240 5.699) 5.743 5.060 ( 3.688 -0.259 1.054) 3.844 5.103 ( 2.068 -3.994 1.579) 4.766 5.306 ( 8.648 -0.817 -2.377) 9.006 5.464 ( 2.256 2.584 1.766) 3.859 5.654 ( -4.610 3.513 0.987) 5.880 5.811 ( -3.328 -1.789 -3.794) 5.354 6.085 ( -7.879 -2.178 0.657) 8.200 6.247 ( -8.025 0.862 -0.125) 8.072 6.472 ( -1.136 -0.264 3.021) 3.239 8.443 ( -2.532 12.240 -2.941) 12.840 8.643 ( -0.698 0.360 4.984) 5.045 8.839 ( -0.604 3.234 -3.232) 4.612 9.276 ( 8.299 -7.776 0.791) 11.400 9.356 ( -0.463 2.520 -1.205) 2.832 9.498 ( 4.244 0.802 -2.894) 5.199 9.843 ( -0.144 4.880 4.023) 6.326 9.935 ( 2.863 -0.014 -1.207) 3.107 10.139 ( -0.219 4.729 -0.481) 4.759 10.389 ( -2.813 3.428 6.062) 7.510 10.947 ( -4.038 -1.457 0.500) 4.321 11.118 ( -3.063 -3.033 -0.547) 4.346 11.306 ( -0.155 -0.990 -0.301) 1.046 11.585 ( -2.609 -3.452 2.910) 5.214 11.714 ( 3.197 3.604 -6.174) 7.832 11.933 ( 1.994 1.823 3.480) 4.406 12.181 ( -3.572 -3.350 -3.977) 6.308 12.214 ( -3.861 -3.394 9.272) 10.602 12.679 ( 1.433 3.781 -5.164) 6.558 12.878 ( -3.397 2.665 1.014) 4.435 20.339 ( -0.038 0.957 2.484) 2.662 20.523 ( 1.527 -3.969 4.299) 6.047 20.910 ( 2.072 4.804 -4.899) 7.167 21.358 ( 0.051 -0.386 -5.071) 5.086 21.417 ( 4.710 -1.047 -2.458) 5.415 21.552 ( 7.733 -4.479 2.958) 9.413 21.761 ( 9.153 5.472 1.872) 10.826 21.956 ( 7.388 6.589 -0.689) 9.924 22.586 ( -3.060 -0.349 -2.416) 3.914 22.826 ( -0.906 3.442 2.426) 4.307 22.906 ( 1.610 -4.635 1.807) 5.228 23.059 ( 0.475 -1.304 2.143) 2.553 23.473 ( -5.076 1.579 -0.219) 5.321 23.655 ( -5.106 -1.430 -1.787) 5.595 23.766 ( -5.184 5.163 0.651) 7.346 24.537 ( 2.207 -12.065 -1.538) 12.361 ======================= Grid point 80 (38/110) ======================= q-point: ( 0.43 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.713 1.432 -6.821) 7.479 1.111 ( -1.974 2.142 -2.651) 3.938 1.221 ( -3.996 6.485 4.272) 8.734 1.249 ( 5.535 0.580 -0.662) 5.605 1.285 ( 4.723 3.012 -2.123) 5.990 1.351 ( 3.176 -0.944 3.914) 5.128 1.430 ( -3.096 -0.049 1.494) 3.438 1.519 ( 2.016 3.555 -2.247) 4.664 1.587 ( 3.849 0.879 -2.047) 4.447 1.755 ( -0.314 -3.370 0.398) 3.408 1.803 ( 0.941 -0.586 -4.359) 4.497 1.890 ( 0.814 -2.949 -0.048) 3.060 1.934 ( -4.572 -3.262 0.677) 5.656 1.997 ( -2.058 1.056 0.265) 2.328 2.223 ( 3.233 4.477 1.454) 5.711 2.303 ( 0.585 -1.323 -0.945) 1.727 2.372 ( 1.971 2.286 2.456) 3.891 2.581 ( 0.692 4.043 -5.196) 6.620 2.691 ( 2.205 -2.765 -4.384) 5.633 2.842 ( 0.015 2.500 6.573) 7.033 2.973 ( -3.851 -5.645 1.622) 7.023 3.078 ( 2.686 -2.727 -0.066) 3.828 3.132 ( 2.438 -4.269 1.864) 5.258 3.383 ( 1.805 -7.415 -1.008) 7.698 3.561 ( -2.612 -3.273 1.938) 4.614 3.634 ( -1.243 1.282 1.533) 2.354 3.894 ( 6.472 -8.501 -3.051) 11.111 4.073 ( -1.231 -9.268 -1.570) 9.481 4.254 ( -1.094 -1.212 -7.841) 8.010 4.372 ( 1.777 1.195 -2.221) 3.085 4.446 ( -1.258 4.126 -4.428) 6.181 4.650 ( 5.813 -3.659 -2.883) 7.449 5.003 ( -4.633 -0.730 3.218) 5.688 5.145 ( 0.230 -0.373 4.526) 4.547 5.214 ( 6.863 -0.142 4.558) 8.240 5.396 ( -1.236 1.977 4.450) 5.023 5.518 ( 1.586 -0.355 -0.533) 1.711 5.642 ( 1.237 1.990 5.802) 6.258 5.775 ( 2.672 0.461 -2.496) 3.686 5.931 ( -7.972 -0.581 0.093) 7.994 6.118 ( -3.893 2.001 -1.267) 4.557 6.453 ( -2.045 1.450 -0.381) 2.535 8.408 ( 0.439 13.831 -0.182) 13.839 8.622 ( -3.716 7.258 0.138) 8.155 8.853 ( 2.703 -2.822 2.443) 4.608 9.349 ( 1.181 2.719 -2.672) 3.991 9.383 ( 2.840 -7.241 -0.963) 7.837 9.565 ( 4.278 0.562 -2.200) 4.844 9.793 ( -5.121 7.089 -1.038) 8.807 9.989 ( 1.081 -1.539 0.112) 1.884 10.167 ( 3.481 4.755 1.611) 6.109 10.376 ( -3.530 2.818 3.105) 5.481 10.909 ( 0.017 -5.466 1.564) 5.685 11.017 ( -6.336 -9.892 1.639) 11.861 11.317 ( 1.820 2.953 -1.572) 3.809 11.543 ( -2.955 -2.799 1.263) 4.261 11.749 ( 3.834 3.149 -3.511) 6.078 11.948 ( -0.593 0.841 -6.130) 6.215 12.098 ( -3.259 -1.340 1.836) 3.974 12.233 ( -1.307 -3.219 6.506) 7.375 12.667 ( 1.863 4.840 -3.564) 6.293 12.843 ( -1.508 2.807 1.228) 3.415 20.361 ( -0.134 0.899 2.901) 3.040 20.578 ( -0.185 -5.449 4.881) 7.317 20.906 ( 2.063 5.171 -4.909) 7.422 21.295 ( -0.045 -2.914 -7.776) 8.304 21.504 ( 3.121 0.319 3.698) 4.850 21.708 ( 5.053 -1.840 6.867) 8.722 21.950 ( 2.780 3.688 1.408) 4.828 22.068 ( 5.709 9.172 0.410) 10.812 22.527 ( 0.865 1.603 -1.001) 2.079 22.817 ( -3.404 2.479 1.313) 4.411 22.925 ( 1.067 -4.057 -2.723) 5.001 23.045 ( -4.547 -1.646 1.284) 5.003 23.404 ( -1.664 1.270 0.875) 2.269 23.611 ( 2.149 0.058 0.523) 2.212 23.671 ( -4.187 3.305 -0.535) 5.361 24.516 ( -0.449 -11.883 -6.544) 13.574 ======================= Grid point 81 (39/110) ======================= q-point: (-0.43 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -4.928 6.362 -5.838) 9.942 1.025 ( -6.176 4.112 -1.822) 7.640 1.157 ( -0.266 4.930 -3.540) 6.075 1.301 ( 3.592 -0.198 -3.248) 4.847 1.355 ( 0.953 3.823 -0.054) 3.940 1.397 ( -1.196 -1.269 2.711) 3.224 1.431 ( -0.419 2.884 2.473) 3.822 1.583 ( 4.283 -2.187 3.872) 6.174 1.644 ( 1.311 0.850 1.788) 2.375 1.724 ( -0.345 -2.813 -2.519) 3.792 1.778 ( -4.593 -4.713 -3.125) 7.285 1.820 ( 1.704 -0.844 -2.671) 3.279 1.944 ( 1.325 -1.155 0.496) 1.827 2.001 ( 0.557 0.681 2.587) 2.733 2.172 ( -2.430 -4.793 -7.636) 9.338 2.375 ( 1.833 0.836 3.684) 4.199 2.454 ( 1.952 5.245 5.581) 7.904 2.497 ( -3.081 4.612 -5.377) 7.725 2.670 ( -0.714 0.288 -3.693) 3.772 2.866 ( -3.843 -1.805 2.340) 4.848 2.910 ( 0.250 -1.367 1.482) 2.032 3.129 ( -1.530 -2.695 2.433) 3.940 3.174 ( 1.344 -7.300 3.289) 8.119 3.420 ( 0.392 -9.047 0.147) 9.057 3.525 ( -1.487 -1.155 -0.593) 1.974 3.613 ( -2.444 2.644 1.173) 3.786 3.878 ( -1.872 -7.650 -4.375) 9.009 4.025 ( -1.120 -6.801 -1.293) 7.013 4.188 ( 0.965 3.445 -9.423) 10.079 4.384 ( 5.921 2.592 -7.511) 9.909 4.422 ( -3.166 -1.245 0.525) 3.442 4.688 ( -0.517 -6.612 -2.590) 7.120 4.936 ( -3.760 0.747 1.499) 4.116 5.142 ( -3.914 -0.991 5.079) 6.488 5.342 ( -6.984 0.345 4.707) 8.429 5.416 ( 6.137 1.677 6.706) 9.244 5.561 ( -0.329 -4.675 2.183) 5.170 5.705 ( 0.326 3.698 7.785) 8.625 5.826 ( 0.632 1.634 -2.362) 2.941 5.880 ( 7.841 -0.149 1.440) 7.973 6.095 ( 3.174 1.354 -3.012) 4.580 6.395 ( -2.086 2.496 -3.250) 4.598 8.453 ( 2.984 12.817 1.271) 13.221 8.546 ( -1.935 8.349 -1.763) 8.750 8.959 ( 3.291 -2.705 6.226) 7.544 9.320 ( -2.031 -2.386 -3.814) 4.936 9.370 ( -2.204 -2.530 -2.754) 4.341 9.605 ( 2.764 1.282 -6.474) 7.155 9.676 ( -5.670 4.778 1.615) 7.589 9.972 ( -1.500 -0.328 0.233) 1.553 10.271 ( -1.337 4.427 0.532) 4.655 10.305 ( -0.351 1.283 4.279) 4.481 10.918 ( -2.299 -6.346 2.292) 7.128 11.017 ( 5.684 -8.937 2.260) 10.830 11.332 ( 0.526 4.133 -0.930) 4.269 11.514 ( -0.347 -1.701 0.070) 1.738 11.772 ( -1.251 -0.107 -2.568) 2.858 11.807 ( -2.105 -2.305 -10.924) 11.362 12.106 ( 0.022 5.661 5.606) 7.967 12.275 ( 1.184 -1.399 3.189) 3.678 12.691 ( 3.059 5.030 -2.302) 6.321 12.830 ( -1.081 1.443 0.738) 1.948 20.382 ( -0.578 0.589 3.506) 3.602 20.597 ( -2.716 -6.305 5.684) 8.913 20.905 ( 2.101 3.958 -4.639) 6.450 21.227 ( -0.054 -4.543 -7.426) 8.706 21.583 ( 0.191 1.596 5.236) 5.477 21.853 ( -4.278 4.086 -0.256) 5.921 21.892 ( 0.749 2.102 11.283) 11.502 22.099 ( -6.138 6.078 0.553) 8.656 22.624 ( 4.510 2.765 3.090) 6.127 22.713 ( -2.778 1.328 -3.677) 4.796 22.883 ( -4.906 -1.009 -3.200) 5.944 22.990 ( 2.693 -2.429 -1.490) 3.921 23.427 ( 2.574 1.972 1.893) 3.755 23.615 ( 1.049 5.752 -1.985) 6.174 23.715 ( 3.672 -4.488 4.565) 7.380 24.407 ( -2.765 -11.931 -11.664) 16.912 ======================= Grid point 82 (40/110) ======================= q-point: (-0.29 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -4.485 12.133 -3.427) 13.382 0.857 ( -7.701 7.313 -1.670) 10.751 1.148 ( 1.651 1.802 -4.496) 5.118 1.294 ( -6.243 -2.998 2.278) 7.290 1.332 ( -2.613 2.833 -0.954) 3.970 1.379 ( 3.734 2.859 -2.559) 5.354 1.445 ( -1.647 0.280 0.623) 1.783 1.609 ( -3.386 2.179 -1.195) 4.200 1.667 ( -3.178 1.560 0.927) 3.659 1.702 ( 1.819 -6.538 -5.081) 8.478 1.751 ( 2.007 0.567 1.847) 2.786 1.837 ( 2.298 -1.809 1.849) 3.461 1.958 ( 0.219 -3.459 -1.248) 3.684 2.046 ( 0.152 0.366 3.241) 3.265 2.074 ( 1.274 -4.962 -5.494) 7.512 2.331 ( -2.584 4.226 -3.532) 6.084 2.478 ( -0.028 -0.488 1.403) 1.486 2.539 ( 0.609 3.995 5.798) 7.067 2.631 ( 0.316 0.984 -2.170) 2.404 2.763 ( -6.004 -2.063 -0.222) 6.352 2.990 ( 3.252 -0.475 3.418) 4.742 3.061 ( -6.205 0.471 2.718) 6.791 3.227 ( -1.479 -12.349 3.340) 12.878 3.300 ( -6.446 -9.373 -3.179) 11.812 3.528 ( 0.356 1.889 -1.890) 2.696 3.611 ( 2.292 3.772 2.635) 5.140 3.845 ( 0.251 -3.052 -2.471) 3.935 3.997 ( -0.888 -5.757 -2.011) 6.163 4.086 ( -4.664 5.068 -6.074) 9.183 4.357 ( -2.078 -2.699 -2.817) 4.420 4.398 ( -0.984 -4.388 -4.252) 6.189 4.572 ( -4.951 -2.652 -4.038) 6.918 4.923 ( 1.982 0.363 -0.010) 2.015 5.090 ( -7.226 -0.509 6.397) 9.664 5.251 ( -4.779 1.308 1.661) 5.225 5.455 ( -9.704 -7.989 1.407) 12.648 5.512 ( 0.105 -0.969 4.542) 4.645 5.862 ( 5.794 -0.543 3.600) 6.843 5.950 ( 9.667 2.470 7.057) 12.221 6.063 ( 8.653 0.606 2.493) 9.025 6.147 ( 5.119 -1.194 -6.890) 8.666 6.331 ( -0.745 2.880 -2.737) 4.042 8.459 ( -0.198 3.868 -2.990) 4.893 8.611 ( 6.412 13.871 3.288) 15.631 9.042 ( -0.998 -2.592 5.368) 6.044 9.175 ( -8.480 -7.466 -3.823) 11.928 9.299 ( -1.626 3.409 -4.362) 5.769 9.539 ( -0.195 3.540 -6.740) 7.616 9.649 ( -1.998 -0.434 3.847) 4.357 9.982 ( 1.198 -0.473 2.734) 3.022 10.141 ( -5.160 1.426 -3.350) 6.315 10.416 ( 0.197 2.880 9.316) 9.753 10.915 ( 0.814 -4.457 -0.123) 4.533 11.169 ( 7.356 -4.037 1.005) 8.451 11.306 ( -3.414 5.332 -0.290) 6.338 11.529 ( 2.195 -0.023 -2.152) 3.073 11.617 ( -1.578 0.081 -8.698) 8.841 11.798 ( 0.764 -4.036 -0.033) 4.108 12.179 ( -0.148 7.080 9.903) 12.175 12.335 ( 3.734 1.183 0.468) 3.945 12.741 ( 5.041 5.843 -4.093) 8.735 12.806 ( -1.573 -1.287 -0.111) 2.036 20.401 ( -0.864 -0.101 3.863) 3.960 20.569 ( -5.982 -6.592 6.897) 11.260 20.907 ( 2.375 1.968 -4.374) 5.353 21.162 ( 0.008 -4.886 -7.588) 9.025 21.539 ( -9.462 1.454 3.153) 10.079 21.748 ( -3.005 7.179 0.273) 7.787 21.857 ( -12.182 -0.085 0.900) 12.216 22.128 ( 4.584 2.028 14.411) 15.258 22.499 ( -7.231 0.644 -6.431) 9.698 22.673 ( -6.617 -2.928 -5.776) 9.259 22.912 ( 8.760 4.759 4.079) 10.771 23.105 ( 8.248 1.254 3.501) 9.048 23.505 ( 3.210 3.727 1.461) 5.131 23.654 ( 3.923 2.560 -3.609) 5.913 23.818 ( 2.424 -4.297 6.636) 8.269 24.198 ( -6.195 -10.177 -16.472) 20.330 ======================= Grid point 83 (41/110) ======================= q-point: (-0.14 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -1.347 15.296 -5.639) 16.358 0.791 ( -2.092 11.058 4.730) 12.208 1.092 ( -4.690 6.509 1.667) 8.194 1.217 ( -3.528 -1.625 0.207) 3.890 1.258 ( -1.692 4.084 -0.293) 4.431 1.381 ( -1.312 -2.329 -1.955) 3.312 1.452 ( 3.984 2.261 -3.569) 5.807 1.540 ( -0.062 0.836 -4.519) 4.596 1.582 ( -4.172 6.326 0.787) 7.619 1.670 ( -1.058 -1.551 -3.536) 4.004 1.790 ( 1.506 -1.898 1.402) 2.799 1.912 ( 0.469 -2.535 -0.869) 2.720 1.936 ( -0.920 -5.800 -0.432) 5.889 2.064 ( 3.249 -1.820 2.436) 4.450 2.162 ( 4.548 -2.021 1.502) 5.198 2.308 ( 1.948 3.151 -1.660) 4.060 2.415 ( -6.727 -5.075 0.049) 8.427 2.491 ( -4.899 -0.421 -3.672) 6.137 2.592 ( -4.544 1.781 -1.872) 5.227 2.749 ( 2.634 2.493 2.660) 4.497 2.958 ( -6.849 -1.784 3.981) 8.120 2.979 ( -4.659 -4.646 -0.452) 6.595 3.203 ( 3.821 -4.108 -0.740) 5.658 3.330 ( 2.687 -3.497 6.056) 7.492 3.493 ( 0.249 -1.203 -2.544) 2.825 3.688 ( -0.572 4.361 2.919) 5.279 3.779 ( -4.815 1.192 -5.285) 7.249 3.921 ( -0.922 -5.822 -3.769) 6.997 4.005 ( 0.182 -1.840 0.047) 1.850 4.141 ( -16.663 -6.718 4.325) 18.479 4.387 ( 5.476 0.173 -4.720) 7.231 4.585 ( 7.408 -1.148 -3.655) 8.340 4.960 ( -6.336 -0.029 5.619) 8.469 5.020 ( -0.244 0.371 5.089) 5.109 5.186 ( -2.187 0.935 -1.423) 2.771 5.276 ( -8.602 -6.925 -0.215) 11.045 5.534 ( -0.520 -4.614 1.265) 4.812 5.941 ( 0.148 1.043 -2.111) 2.359 6.112 ( -0.049 -3.942 -1.205) 4.122 6.162 ( 6.326 -1.529 -6.412) 9.136 6.241 ( 5.822 0.788 5.037) 7.738 6.379 ( 4.710 0.792 4.472) 6.543 8.446 ( 1.496 -0.138 -2.484) 2.903 8.755 ( 4.627 12.601 1.216) 13.479 8.945 ( -6.877 -8.678 -4.603) 11.991 9.063 ( -4.661 0.166 5.914) 7.532 9.243 ( 0.691 3.755 -3.538) 5.205 9.536 ( 3.077 1.897 -0.749) 3.691 9.633 ( -2.450 -1.288 2.070) 3.457 9.962 ( -2.988 -5.301 -3.714) 7.129 10.145 ( 4.428 7.926 5.526) 10.629 10.422 ( -7.853 3.743 7.685) 11.608 10.952 ( 4.061 0.159 -1.249) 4.252 11.197 ( -5.164 4.488 -2.109) 7.160 11.288 ( 4.908 -0.965 -2.152) 5.446 11.534 ( 3.772 2.192 -7.171) 8.394 11.629 ( 3.009 1.868 2.640) 4.417 11.817 ( -0.417 -6.570 2.972) 7.223 12.230 ( -4.914 3.570 11.950) 13.405 12.438 ( 5.871 6.039 -0.791) 8.460 12.723 ( -2.911 -3.150 -2.915) 5.186 12.875 ( 9.715 1.694 -3.546) 10.480 20.416 ( -1.083 -1.016 3.753) 4.036 20.486 ( -9.348 -5.443 7.957) 13.428 20.931 ( 4.259 -0.082 -4.000) 5.843 21.086 ( -0.737 -4.390 -8.075) 9.220 21.361 ( -9.337 1.808 3.085) 9.998 21.613 ( -7.112 -3.108 -3.052) 8.340 21.750 ( -3.418 6.614 2.439) 7.834 22.177 ( -6.058 -0.409 -12.543) 13.935 22.433 ( 2.873 0.631 12.422) 12.766 22.548 ( -2.441 -2.739 -0.672) 3.730 23.065 ( 3.792 4.016 0.866) 5.591 23.335 ( 7.483 -0.572 3.241) 8.175 23.572 ( 3.025 3.448 0.628) 4.630 23.673 ( 1.280 -0.988 -1.001) 1.902 23.905 ( 0.454 -0.525 -1.509) 1.661 23.960 ( -1.216 -2.715 -3.151) 4.333 ======================= Grid point 84 (42/110) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 3.411 10.894 -3.952) 12.080 1.027 ( 1.427 9.220 1.078) 9.392 1.154 ( -0.603 -1.616 0.126) 1.729 1.236 ( 1.497 -2.600 0.564) 3.053 1.290 ( -0.403 2.171 -3.354) 4.015 1.360 ( 5.179 3.614 2.585) 6.824 1.518 ( 2.226 0.045 -4.514) 5.033 1.544 ( 1.362 0.771 -3.964) 4.262 1.617 ( -1.502 3.305 0.184) 3.635 1.658 ( -2.414 1.056 0.910) 2.787 1.725 ( -1.859 -1.675 -2.486) 3.528 1.802 ( -2.028 -1.352 2.900) 3.788 1.907 ( 2.572 -0.030 -0.754) 2.680 2.066 ( -0.732 -2.103 0.234) 2.239 2.130 ( -3.866 -0.443 3.264) 5.079 2.242 ( 2.836 -2.511 -2.330) 4.447 2.404 ( 4.068 0.438 -1.620) 4.401 2.485 ( 1.747 0.977 5.666) 6.009 2.519 ( -3.019 -0.622 1.258) 3.329 2.739 ( -2.270 -0.224 -2.063) 3.076 2.834 ( 3.215 -7.818 0.078) 8.454 2.936 ( -0.497 -3.563 2.290) 4.265 3.074 ( -1.779 0.075 -1.860) 2.575 3.348 ( -8.069 -2.140 -4.686) 9.574 3.490 ( 9.613 -4.691 -0.543) 10.711 3.555 ( -4.892 -1.442 -4.072) 6.526 3.789 ( -2.252 4.340 -2.299) 5.403 3.863 ( -2.337 -0.474 3.761) 4.453 3.924 ( 3.015 -1.077 1.384) 3.488 4.018 ( 3.793 -3.327 2.134) 5.478 4.566 ( 11.013 1.913 -0.011) 11.178 4.652 ( 3.659 -2.585 3.094) 5.445 4.867 ( -6.333 1.568 3.546) 7.426 4.969 ( -5.493 -2.856 3.480) 7.102 5.125 ( -2.984 -0.626 -2.360) 3.856 5.137 ( -0.600 -1.495 -1.224) 2.023 5.529 ( 1.278 4.990 1.410) 5.341 5.900 ( -0.916 -6.592 -1.162) 6.756 5.957 ( -1.378 0.347 -7.544) 7.676 6.108 ( 1.734 -3.974 -8.582) 9.615 6.364 ( 0.117 0.814 5.588) 5.648 6.436 ( -1.309 -2.659 5.544) 6.287 8.456 ( 1.670 1.116 0.002) 2.009 8.674 ( 1.154 -8.453 -1.832) 8.726 8.976 ( -1.785 7.578 -2.349) 8.132 9.064 ( -2.520 2.123 0.187) 3.301 9.332 ( 2.725 4.122 -2.197) 5.407 9.549 ( 1.152 -4.048 -4.663) 6.281 9.669 ( 2.334 2.599 6.389) 7.282 9.814 ( -0.494 -4.300 2.155) 4.835 10.440 ( -1.060 7.093 6.290) 9.539 10.473 ( -3.741 7.517 7.334) 11.148 11.111 ( 6.234 5.117 -1.014) 8.129 11.167 ( -5.260 3.249 -0.066) 6.183 11.281 ( 0.428 -2.781 -1.998) 3.451 11.502 ( 0.076 -8.657 -2.162) 8.923 11.746 ( 3.472 1.998 -0.777) 4.080 11.793 ( 3.294 2.409 1.989) 4.540 12.255 ( -6.193 3.097 5.732) 8.989 12.474 ( -7.843 -5.384 -4.994) 10.745 12.677 ( 4.529 6.005 0.117) 7.522 12.924 ( 2.717 -4.646 -2.197) 5.813 20.362 ( -4.136 0.031 4.542) 6.143 20.395 ( -1.442 -1.511 3.468) 4.048 20.948 ( 2.753 0.664 -5.476) 6.165 21.028 ( 8.236 -3.083 -4.055) 9.684 21.300 ( -2.691 1.506 2.562) 4.010 21.416 ( -1.928 -4.118 -1.289) 4.726 21.839 ( -2.783 7.494 -2.376) 8.339 22.018 ( -2.303 0.680 -9.517) 9.815 22.504 ( 1.009 -1.424 4.325) 4.663 22.547 ( 3.804 -2.778 6.242) 7.820 23.114 ( -3.957 3.567 -5.424) 7.603 23.241 ( -5.615 -2.420 -7.480) 9.661 23.626 ( 1.517 1.388 0.926) 2.255 23.669 ( 1.509 -1.088 0.730) 1.999 23.981 ( -1.221 1.028 5.681) 5.901 24.059 ( 7.210 -2.925 7.405) 10.741 ======================= Grid point 85 (43/110) ======================= q-point: ( 0.14 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 4.747 8.490 1.733) 9.880 1.073 ( 2.223 5.799 1.255) 6.336 1.170 ( 1.972 -0.483 -4.560) 4.992 1.217 ( 0.731 0.024 -0.411) 0.839 1.317 ( 4.036 -1.643 -3.386) 5.519 1.369 ( -2.975 -0.405 -3.987) 4.991 1.505 ( -1.256 0.761 -1.702) 2.248 1.552 ( 3.599 2.272 2.157) 4.772 1.605 ( -0.437 -1.796 -0.618) 1.948 1.671 ( 1.691 -2.634 -1.698) 3.561 1.719 ( 3.335 4.511 -2.243) 6.041 1.802 ( -0.963 1.220 1.790) 2.371 1.981 ( 4.527 3.683 2.439) 6.325 2.059 ( 0.609 -0.132 0.603) 0.868 2.098 ( -3.969 -3.741 5.142) 7.496 2.282 ( 0.343 -1.778 -0.213) 1.823 2.470 ( 2.030 -5.060 2.320) 5.925 2.475 ( 1.712 -0.157 -2.719) 3.217 2.608 ( 3.872 3.267 2.974) 5.874 2.712 ( 1.030 3.889 -1.677) 4.358 2.878 ( 2.396 -7.640 -2.483) 8.383 2.930 ( -0.358 0.552 -1.155) 1.329 3.027 ( -1.917 -1.624 1.992) 3.206 3.214 ( -2.135 -6.627 0.387) 6.973 3.532 ( 3.318 -1.461 -2.645) 4.488 3.604 ( 2.699 -3.473 -3.839) 5.839 3.728 ( 0.629 3.260 -2.925) 4.425 3.871 ( 0.906 -4.963 0.949) 5.133 4.055 ( 8.205 1.375 0.753) 8.353 4.176 ( 10.048 -4.215 2.685) 11.222 4.600 ( -9.666 3.304 0.537) 10.229 4.811 ( 0.082 -3.741 6.027) 7.094 4.845 ( 7.641 2.024 2.307) 8.234 4.957 ( 3.738 -1.579 0.229) 4.064 5.055 ( -1.834 -2.147 -3.444) 4.454 5.109 ( 1.759 -3.537 -0.644) 4.002 5.559 ( -0.392 6.674 2.315) 7.075 5.820 ( -4.504 -1.452 -3.331) 5.788 5.864 ( -2.088 0.179 -5.799) 6.166 6.087 ( 0.595 -6.207 -4.573) 7.733 6.372 ( -4.072 0.113 3.114) 5.128 6.421 ( -2.571 -2.093 4.736) 5.781 8.525 ( 4.622 1.081 0.765) 4.808 8.694 ( 2.494 -1.309 -4.761) 5.532 8.968 ( 0.823 0.980 1.719) 2.143 9.011 ( -0.626 2.397 -0.714) 2.578 9.383 ( 3.845 2.943 -1.944) 5.218 9.507 ( -0.552 -1.607 -4.455) 4.768 9.789 ( 3.727 1.038 4.961) 6.292 9.859 ( 3.400 -2.473 1.733) 4.548 10.365 ( -8.046 10.143 6.191) 14.351 10.510 ( -2.915 5.337 6.484) 8.889 11.033 ( -6.985 0.379 0.801) 7.041 11.162 ( -4.451 -2.352 -4.267) 6.599 11.274 ( 3.212 1.752 1.829) 4.091 11.515 ( 0.924 -6.525 0.548) 6.613 11.783 ( 2.783 4.537 -3.556) 6.402 11.878 ( 2.958 2.119 4.181) 5.543 12.194 ( -5.572 -0.170 6.267) 8.388 12.275 ( -6.383 -3.251 -6.996) 10.013 12.740 ( 2.471 4.212 -1.421) 5.086 12.921 ( -1.090 -3.238 -1.028) 3.568 20.345 ( -1.173 1.071 3.110) 3.492 20.411 ( -0.015 -2.274 3.407) 4.096 20.979 ( 4.751 3.960 -4.736) 7.790 21.200 ( 11.572 -6.457 -3.877) 13.807 21.328 ( 2.644 1.060 2.006) 3.484 21.405 ( 1.846 -2.603 -2.962) 4.354 21.795 ( 1.492 6.943 -2.329) 7.473 21.947 ( 2.621 1.643 -4.669) 5.601 22.574 ( 1.900 0.020 3.744) 4.198 22.687 ( 5.151 -4.419 4.982) 8.419 22.981 ( -4.560 2.973 -3.853) 6.669 23.074 ( -4.184 -1.434 -4.966) 6.650 23.611 ( -3.596 2.254 -0.078) 4.245 23.687 ( -1.157 -1.824 -0.504) 2.218 23.966 ( -4.534 5.020 4.818) 8.305 24.232 ( 3.904 -8.579 5.701) 11.016 ======================= Grid point 86 (44/110) ======================= q-point: ( 0.29 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 4.527 2.266 -3.003) 5.886 1.130 ( 3.775 1.648 -7.101) 8.209 1.152 ( 2.431 1.758 2.375) 3.826 1.245 ( -1.523 0.741 -1.770) 2.450 1.289 ( 2.572 2.856 2.548) 4.611 1.440 ( 4.298 0.483 0.655) 4.375 1.451 ( -1.754 -0.355 -1.738) 2.494 1.586 ( 0.728 2.825 -2.125) 3.609 1.626 ( -1.941 -0.153 -3.782) 4.253 1.636 ( 1.949 0.933 2.294) 3.151 1.771 ( 3.033 -0.633 -1.917) 3.644 1.827 ( 1.842 -0.399 0.653) 1.995 1.989 ( -5.336 -1.076 2.353) 5.930 2.096 ( -1.476 7.001 4.663) 8.540 2.148 ( 5.430 -4.625 1.127) 7.221 2.274 ( 2.001 1.641 -1.599) 3.042 2.438 ( -1.775 -1.526 -0.893) 2.506 2.556 ( 3.402 -3.671 0.931) 5.091 2.648 ( 0.838 3.256 -2.856) 4.411 2.769 ( 3.074 -1.970 -0.140) 3.654 2.891 ( -0.120 -2.104 -0.159) 2.113 2.948 ( 3.244 -3.680 1.299) 5.075 3.029 ( 0.053 -1.786 2.777) 3.302 3.223 ( 0.894 -8.299 -1.602) 8.499 3.554 ( -0.964 -0.074 -0.143) 0.978 3.604 ( 2.008 -0.511 0.883) 2.252 3.754 ( 3.086 1.245 -2.187) 3.982 3.905 ( 2.477 -7.359 -1.393) 7.888 4.221 ( 6.183 0.759 -2.417) 6.682 4.365 ( 6.210 -4.398 -2.930) 8.154 4.438 ( -1.563 4.579 -0.089) 4.839 4.703 ( -5.723 -2.423 -1.452) 6.382 5.034 ( 0.065 0.999 0.448) 1.097 5.054 ( 4.633 0.425 3.629) 5.900 5.062 ( 5.152 -0.215 4.742) 7.006 5.226 ( 9.774 -5.639 0.253) 11.287 5.532 ( -4.182 3.601 0.255) 5.525 5.703 ( -4.058 -0.552 -2.140) 4.621 5.799 ( -0.709 2.436 -1.912) 3.177 6.018 ( -4.073 -4.747 -2.236) 6.643 6.288 ( -5.593 3.313 1.911) 6.775 6.438 ( -0.543 -2.903 3.339) 4.458 8.620 ( 4.324 4.238 -0.321) 6.063 8.698 ( 2.383 5.153 -2.149) 6.070 8.926 ( -3.318 4.115 -1.073) 5.394 9.106 ( 5.846 -7.646 1.241) 9.704 9.414 ( 1.073 3.001 -2.032) 3.780 9.498 ( 4.010 -0.810 -3.818) 5.596 9.896 ( 3.824 1.165 3.526) 5.331 9.943 ( 3.577 -0.173 -1.196) 3.776 10.277 ( -4.956 9.282 4.168) 11.317 10.474 ( -5.521 3.712 6.048) 8.991 10.897 ( -8.132 -3.218 1.271) 8.838 10.984 ( -10.480 -8.416 -0.349) 13.446 11.350 ( 3.610 4.116 -1.075) 5.580 11.524 ( -0.208 -3.348 -0.001) 3.355 11.808 ( 3.071 5.998 -3.610) 7.645 11.982 ( 2.979 2.114 5.815) 6.867 12.106 ( -5.239 -3.460 -4.389) 7.661 12.166 ( -2.940 -2.378 4.061) 5.549 12.753 ( 0.968 3.794 -2.529) 4.661 12.886 ( -1.558 -1.534 -0.225) 2.198 20.361 ( -0.081 1.290 2.636) 2.936 20.447 ( 0.434 -3.309 3.466) 4.812 21.019 ( 3.776 6.127 -6.032) 9.391 21.295 ( 3.520 -5.844 -10.734) 12.718 21.414 ( 3.863 0.612 2.412) 4.595 21.471 ( 5.851 -2.899 4.743) 8.070 21.885 ( 8.280 6.537 0.638) 10.569 22.046 ( 8.627 1.347 -0.447) 8.743 22.602 ( -0.255 2.451 -2.338) 3.397 22.798 ( 3.252 -5.551 -0.090) 6.434 22.905 ( -2.205 3.740 2.684) 5.104 23.025 ( -0.606 -2.068 2.507) 3.306 23.511 ( -5.426 2.193 -0.696) 5.894 23.609 ( -4.686 -2.581 -1.397) 5.529 23.905 ( -4.783 8.083 1.551) 9.519 24.298 ( 0.268 -11.423 0.586) 11.441 ======================= Grid point 87 (45/110) ======================= q-point: ( 0.43 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 2.591 6.096 -8.528) 10.798 1.157 ( -0.175 0.972 -2.585) 2.767 1.213 ( 1.474 -1.800 1.432) 2.732 1.260 ( 5.084 0.026 -1.884) 5.422 1.359 ( -2.431 1.746 2.641) 3.991 1.400 ( -0.250 3.678 2.961) 4.728 1.470 ( 0.105 2.929 -0.073) 2.932 1.554 ( -0.306 -0.731 -4.201) 4.275 1.630 ( 2.656 3.456 -1.619) 4.650 1.701 ( 2.846 -3.815 1.589) 5.018 1.765 ( -4.896 -2.186 -1.520) 5.573 1.827 ( 0.515 -0.937 0.080) 1.072 1.946 ( 0.304 4.003 -2.247) 4.600 2.042 ( -3.361 5.468 1.152) 6.520 2.230 ( -2.775 -2.725 -4.294) 5.794 2.287 ( 4.804 1.228 1.783) 5.269 2.502 ( 5.321 3.374 3.002) 6.979 2.594 ( 0.953 -7.172 -2.082) 7.529 2.621 ( -2.038 -0.396 0.052) 2.077 2.780 ( 0.584 -8.689 -1.733) 8.879 2.886 ( -0.148 2.038 1.058) 2.301 3.029 ( -2.481 -1.835 1.480) 3.422 3.054 ( 2.981 -3.352 3.588) 5.744 3.219 ( 1.882 -8.026 -2.203) 8.533 3.535 ( -1.036 1.422 1.025) 2.035 3.646 ( -0.157 -0.793 1.479) 1.685 3.802 ( 2.948 -0.743 -1.460) 3.373 3.922 ( 0.357 -5.955 -1.015) 6.052 4.207 ( 0.801 -0.967 -4.006) 4.198 4.371 ( 0.698 -4.021 -4.485) 6.063 4.525 ( 4.315 4.948 0.855) 6.621 4.653 ( 0.221 2.082 -4.038) 4.549 5.013 ( -2.008 1.995 -0.792) 2.939 5.119 ( -0.763 -1.865 3.228) 3.805 5.229 ( 7.545 2.289 7.152) 10.645 5.372 ( -2.279 -2.421 4.924) 5.941 5.477 ( 2.639 -2.519 -0.514) 3.684 5.635 ( -0.330 -6.342 -1.569) 6.541 5.801 ( 0.125 4.346 2.081) 4.820 5.927 ( -2.846 -0.014 -1.774) 3.354 6.212 ( -3.395 6.352 0.933) 7.262 6.436 ( -1.589 -2.979 0.842) 3.480 8.676 ( 3.048 11.333 -1.473) 11.828 8.756 ( 1.011 5.325 1.352) 5.586 8.852 ( -1.192 2.830 0.078) 3.072 9.186 ( 1.891 -10.953 -1.270) 11.187 9.423 ( 1.983 3.887 -2.623) 5.091 9.555 ( 4.243 -1.692 -3.174) 5.563 9.924 ( -3.614 5.093 -2.623) 6.774 9.976 ( 1.408 0.257 0.435) 1.496 10.285 ( 2.753 7.220 3.385) 8.436 10.434 ( -4.464 2.868 4.611) 7.029 10.768 ( -4.528 -7.743 1.353) 9.071 10.801 ( -8.127 -10.871 2.353) 13.776 11.400 ( 3.333 4.409 -2.162) 5.935 11.514 ( -0.527 -0.859 -0.277) 1.045 11.816 ( 0.450 3.770 -3.448) 5.129 11.946 ( -4.892 -1.150 -7.847) 9.318 12.098 ( 2.473 0.999 5.856) 6.435 12.184 ( -0.042 -2.216 6.810) 7.161 12.748 ( 1.066 3.648 -2.248) 4.415 12.862 ( -0.862 -0.844 -0.218) 1.226 20.382 ( -0.351 1.225 2.958) 3.221 20.479 ( -0.549 -4.123 3.746) 5.597 21.016 ( 2.251 5.670 -7.423) 9.608 21.225 ( 0.633 -4.090 -11.349) 12.080 21.529 ( 3.313 1.824 6.850) 7.825 21.644 ( 4.996 -3.852 9.675) 11.550 22.045 ( 4.096 5.562 1.336) 7.036 22.194 ( 5.328 2.001 -0.457) 5.710 22.578 ( 2.596 4.378 -2.292) 5.583 22.820 ( 1.866 -5.166 -3.109) 6.311 22.889 ( -3.663 3.265 2.022) 5.307 23.010 ( -5.160 -1.992 2.921) 6.255 23.439 ( -1.383 2.201 0.950) 2.768 23.554 ( 0.198 -3.408 1.130) 3.596 23.817 ( -3.473 9.027 -2.069) 9.891 24.264 ( -1.600 -12.699 -4.763) 13.656 ======================= Grid point 88 (46/110) ======================= q-point: (-0.43 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -1.014 8.897 -4.975) 10.244 1.114 ( -1.553 4.490 -2.874) 5.553 1.218 ( -1.586 1.125 -1.758) 2.621 1.295 ( -1.712 -0.098 0.211) 1.727 1.354 ( 5.024 -3.744 -1.298) 6.399 1.404 ( -2.525 1.867 2.550) 4.045 1.490 ( 1.283 -0.576 -2.050) 2.486 1.579 ( -5.054 -3.077 -4.441) 7.398 1.589 ( 4.368 2.144 0.359) 4.879 1.668 ( -0.535 -0.740 0.371) 0.985 1.748 ( -0.416 -0.057 1.696) 1.747 1.825 ( -0.094 -0.725 -0.266) 0.778 1.935 ( 0.585 1.377 -1.911) 2.427 2.041 ( 2.024 4.402 -2.255) 5.345 2.111 ( -4.128 -1.021 -2.679) 5.025 2.373 ( 1.194 -1.225 0.978) 1.971 2.511 ( -5.534 -1.164 3.076) 6.438 2.565 ( -0.284 2.223 -0.619) 2.325 2.675 ( 4.964 -2.276 -2.040) 5.829 2.752 ( -2.309 -7.950 -0.894) 8.327 2.902 ( 0.503 0.513 0.603) 0.938 2.997 ( -1.749 -4.772 2.762) 5.784 3.088 ( -2.099 -2.083 2.028) 3.586 3.238 ( 0.272 -8.069 -1.874) 8.288 3.543 ( 0.933 2.273 1.485) 2.871 3.626 ( -1.909 -1.058 1.017) 2.408 3.822 ( 1.544 1.142 -1.042) 2.185 3.922 ( 0.298 -3.551 -0.067) 3.564 4.236 ( 5.185 1.956 -4.234) 6.974 4.385 ( 2.217 -1.276 -4.060) 4.799 4.500 ( -4.853 5.242 -3.981) 8.177 4.583 ( -5.601 -2.716 0.779) 6.273 4.965 ( -1.061 2.213 -2.357) 3.403 5.105 ( -2.606 -2.949 2.703) 4.774 5.296 ( -7.183 -2.731 5.193) 9.275 5.412 ( -2.716 -5.365 3.909) 7.172 5.488 ( 3.157 2.123 3.283) 5.025 5.727 ( 5.247 -5.601 2.482) 8.066 5.841 ( 2.305 3.832 5.000) 6.708 5.911 ( 4.624 2.221 -2.568) 5.737 6.177 ( -0.248 5.921 -1.021) 6.013 6.395 ( -2.355 -2.488 -1.128) 3.607 8.664 ( -4.767 8.734 -1.408) 10.049 8.753 ( 2.954 9.809 0.729) 10.270 8.935 ( 4.112 0.045 3.578) 5.452 9.152 ( -2.889 -9.940 -3.269) 10.855 9.424 ( 0.586 4.375 -3.353) 5.543 9.588 ( 2.440 -2.472 -4.333) 5.553 9.794 ( -6.614 6.210 -2.145) 9.323 9.963 ( -1.944 -1.105 -0.187) 2.243 10.323 ( -7.791 3.342 1.126) 8.552 10.408 ( 3.516 6.524 6.148) 9.629 10.727 ( 0.650 -10.256 0.480) 10.287 10.839 ( 7.280 -9.218 3.702) 12.316 11.444 ( 2.841 5.340 -1.534) 6.241 11.510 ( 0.220 0.864 0.665) 1.113 11.761 ( -3.803 -0.680 -5.726) 6.908 11.777 ( -2.910 -1.059 -7.569) 8.178 12.197 ( 2.037 3.475 7.055) 8.124 12.267 ( 2.626 -0.072 5.427) 6.029 12.759 ( 1.915 2.515 -1.895) 3.686 12.841 ( -1.009 -0.550 -1.028) 1.542 20.397 ( -1.077 0.914 3.498) 3.773 20.489 ( -2.158 -4.293 4.230) 6.402 20.986 ( 1.523 4.006 -7.439) 8.585 21.141 ( 0.446 -3.972 -9.884) 10.662 21.633 ( -0.476 3.341 8.525) 9.168 21.811 ( 0.931 -4.637 12.321) 13.198 22.010 ( -5.792 6.759 -0.365) 8.909 22.180 ( -5.656 0.847 -1.199) 5.843 22.687 ( 2.623 3.577 1.643) 4.731 22.746 ( -4.455 1.584 -3.577) 5.929 22.876 ( -1.544 0.009 -0.980) 1.829 22.933 ( 3.704 -2.977 0.683) 4.801 23.475 ( 3.089 2.784 2.626) 4.918 23.617 ( 3.126 -4.255 4.318) 6.821 23.758 ( 0.274 7.747 -4.566) 8.996 24.162 ( -2.603 -12.017 -9.246) 15.383 ======================= Grid point 89 (47/110) ======================= q-point: (-0.29 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -1.404 11.214 -0.425) 11.309 1.026 ( -3.292 9.444 -4.872) 11.125 1.177 ( 0.243 0.999 -3.302) 3.458 1.240 ( -5.259 -1.810 0.681) 5.603 1.378 ( -1.235 0.796 -0.415) 1.527 1.401 ( 0.493 -2.029 -0.812) 2.240 1.441 ( -1.755 -0.853 -0.499) 2.014 1.522 ( 2.536 -7.504 -8.246) 11.434 1.658 ( 1.112 1.260 1.870) 2.514 1.689 ( 1.916 1.434 2.124) 3.200 1.777 ( 0.592 -0.424 1.376) 1.557 1.814 ( -1.265 -1.194 1.735) 2.457 1.940 ( 1.236 2.799 -1.910) 3.607 2.032 ( 1.308 0.712 -3.553) 3.853 2.056 ( -2.034 2.162 2.124) 3.650 2.358 ( -0.587 -0.385 -2.452) 2.550 2.446 ( -5.978 -5.211 3.081) 8.508 2.550 ( -0.815 -1.284 2.152) 2.635 2.630 ( -3.664 -1.310 -4.428) 5.895 2.768 ( 1.288 -1.387 0.105) 1.896 2.931 ( -1.486 -4.590 -2.133) 5.275 2.954 ( -1.990 -5.591 2.854) 6.585 3.054 ( -2.229 -2.491 2.466) 4.154 3.194 ( -0.631 -3.637 -0.753) 3.767 3.580 ( 0.729 3.065 1.098) 3.336 3.648 ( 2.516 0.225 2.172) 3.331 3.851 ( 2.109 1.873 -0.999) 2.992 3.916 ( -1.414 -1.945 -0.846) 2.549 4.200 ( -11.098 5.107 -3.621) 12.742 4.322 ( -11.526 -1.492 -3.581) 12.161 4.346 ( 3.920 0.986 -2.539) 4.773 4.524 ( 1.568 -2.616 -3.823) 4.890 4.952 ( 1.591 2.462 -0.298) 2.946 5.076 ( -5.162 -1.174 5.480) 7.620 5.210 ( -4.716 -4.258 3.948) 7.480 5.289 ( -8.830 -7.837 1.838) 11.948 5.546 ( -1.294 4.676 1.191) 4.996 5.807 ( 3.374 -5.290 -0.113) 6.275 6.007 ( 7.415 2.639 7.734) 11.034 6.052 ( 8.437 -0.617 -1.455) 8.584 6.175 ( 1.722 3.650 -2.315) 4.653 6.341 ( -1.879 -2.007 -0.366) 2.774 8.555 ( -4.564 5.740 -1.920) 7.580 8.812 ( 0.071 1.090 0.555) 1.225 8.984 ( -0.620 0.284 -0.410) 0.795 9.081 ( -1.474 -1.319 1.791) 2.668 9.393 ( -0.060 5.401 -5.078) 7.413 9.568 ( 1.429 -1.618 -8.367) 8.641 9.673 ( -5.865 3.797 3.907) 8.004 9.909 ( -4.007 -5.746 0.539) 7.026 10.241 ( -0.743 7.869 2.284) 8.228 10.492 ( -1.028 2.073 7.680) 8.021 10.821 ( 8.036 -2.825 -1.051) 8.582 11.035 ( 9.091 -7.954 2.141) 12.268 11.443 ( -4.272 6.263 0.689) 7.612 11.549 ( 3.520 1.793 -0.164) 3.954 11.628 ( 1.692 0.457 -11.573) 11.705 11.708 ( -2.243 -4.548 0.003) 5.071 12.290 ( -0.353 4.547 8.782) 9.896 12.376 ( 4.833 1.663 4.056) 6.525 12.779 ( -0.446 -0.536 -1.567) 1.715 12.804 ( 1.486 0.500 -4.061) 4.353 20.401 ( -1.797 0.272 3.933) 4.332 20.468 ( -4.135 -3.648 4.762) 7.286 20.950 ( 1.360 2.283 -6.605) 7.120 21.070 ( 0.558 -4.059 -8.709) 9.625 21.594 ( -10.402 3.690 5.009) 12.120 21.771 ( -12.433 -4.035 2.747) 13.356 21.925 ( -3.295 6.883 2.919) 8.171 22.133 ( 1.035 -1.821 5.542) 5.924 22.533 ( -7.246 2.113 -4.290) 8.682 22.617 ( -6.973 -2.460 -5.547) 9.244 23.003 ( 8.308 4.086 4.697) 10.382 23.106 ( 9.243 -0.934 5.027) 10.563 23.579 ( 4.257 3.451 2.877) 6.189 23.698 ( -0.851 -0.438 -2.398) 2.582 23.762 ( 5.644 1.130 1.854) 6.048 24.007 ( -3.463 -8.651 -11.636) 14.908 ======================= Grid point 90 (48/110) ======================= q-point: (-0.14 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.618 13.460 -7.229) 15.291 1.003 ( 0.636 9.278 1.215) 9.378 1.157 ( -0.033 1.191 3.217) 3.431 1.191 ( -0.807 -1.329 -0.553) 1.650 1.329 ( -2.105 -0.152 -1.489) 2.583 1.344 ( -2.050 0.684 -2.066) 2.990 1.477 ( 3.474 -1.496 -3.151) 4.923 1.519 ( 4.106 -1.858 -4.157) 6.132 1.678 ( -2.682 2.802 2.758) 4.760 1.697 ( -1.573 1.961 0.270) 2.529 1.777 ( -2.315 2.156 -1.316) 3.426 1.807 ( -1.298 -4.589 3.573) 5.959 1.893 ( -0.116 0.983 -2.408) 2.603 2.059 ( 2.481 1.373 0.426) 2.867 2.129 ( 3.721 -1.583 2.390) 4.697 2.286 ( -6.381 -7.566 -3.650) 10.549 2.362 ( 0.386 2.570 0.557) 2.658 2.486 ( -5.472 0.987 -0.206) 5.564 2.588 ( -2.694 -2.476 1.883) 4.116 2.767 ( 1.483 -3.619 -0.919) 4.018 2.829 ( -3.490 -6.089 -2.115) 7.330 2.947 ( -3.026 -3.520 2.341) 5.199 3.071 ( 2.044 -1.692 0.222) 2.663 3.281 ( 8.235 -3.222 1.864) 9.037 3.539 ( -5.307 4.621 -1.996) 7.315 3.741 ( 4.135 -1.250 3.420) 5.510 3.787 ( -11.279 -0.285 -4.134) 12.016 3.887 ( 0.989 3.470 -1.898) 4.077 3.965 ( -5.132 -1.927 -0.536) 5.509 4.056 ( -12.603 -2.686 1.420) 12.965 4.418 ( 6.642 2.886 -4.166) 8.355 4.555 ( 5.235 -2.098 -3.440) 6.606 4.971 ( -7.639 1.074 5.558) 9.508 5.020 ( -1.328 -0.110 5.273) 5.439 5.154 ( -4.510 -4.279 0.560) 6.242 5.184 ( -2.052 -1.889 1.073) 2.988 5.517 ( -0.872 3.760 -0.383) 3.879 5.874 ( 3.463 -8.705 -0.562) 9.386 6.058 ( -1.376 0.743 -7.336) 7.501 6.144 ( 3.184 -1.248 -5.517) 6.491 6.268 ( 4.247 1.933 6.270) 7.815 6.364 ( 2.011 -1.999 5.656) 6.327 8.470 ( -2.367 2.819 -1.294) 3.902 8.727 ( -4.682 -9.116 -2.315) 10.506 9.008 ( 1.443 8.059 -0.821) 8.228 9.084 ( -1.327 1.455 2.888) 3.495 9.336 ( -0.162 5.636 -4.950) 7.503 9.541 ( 2.965 -2.211 -5.792) 6.872 9.632 ( -3.136 2.085 5.380) 6.567 9.837 ( -3.364 -6.706 1.079) 7.579 10.323 ( 4.347 9.194 5.403) 11.516 10.510 ( -3.987 2.798 7.139) 8.643 10.972 ( 8.040 2.718 -0.710) 8.517 11.196 ( 5.808 -4.406 0.388) 7.301 11.318 ( -6.185 4.189 -1.726) 7.667 11.549 ( 0.313 -3.364 -7.036) 7.805 11.665 ( 5.499 1.639 -1.362) 5.898 11.718 ( 1.697 -1.321 3.086) 3.762 12.311 ( -4.734 4.921 7.236) 9.949 12.519 ( 4.874 -0.833 4.505) 6.689 12.683 ( -4.385 1.873 -4.952) 6.874 12.860 ( 5.737 -2.805 -3.464) 7.265 20.398 ( -2.295 -0.672 4.218) 4.849 20.417 ( -5.285 -2.040 4.834) 7.447 20.936 ( 3.025 0.573 -5.336) 6.160 21.007 ( 0.540 -3.264 -7.510) 8.207 21.405 ( -10.303 2.511 2.630) 10.926 21.535 ( -10.054 -3.959 -0.452) 10.815 21.903 ( -2.660 7.938 1.430) 8.493 22.147 ( -2.482 -2.998 -4.911) 6.267 22.446 ( -0.230 0.608 4.288) 4.337 22.496 ( -1.754 -2.258 -1.411) 3.189 23.153 ( 3.234 4.479 1.131) 5.639 23.302 ( 4.547 -2.544 1.981) 5.575 23.615 ( -0.777 1.301 -2.726) 3.119 23.656 ( -0.218 -0.782 -0.867) 1.188 23.898 ( 4.101 -0.268 2.420) 4.769 23.913 ( 3.129 -1.650 0.207) 3.543 ======================= Grid point 91 (49/110) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.999 -4.922 -2.977) 5.839 1.081 ( 0.999 4.922 -2.977) 5.839 1.158 ( 1.597 -4.380 -0.037) 4.662 1.158 ( 1.597 4.380 -0.037) 4.662 1.369 ( 0.214 -3.314 -1.656) 3.711 1.369 ( 0.214 3.314 -1.656) 3.711 1.525 ( 4.141 -2.385 -2.199) 5.261 1.525 ( 4.141 2.385 -2.199) 5.261 1.644 ( -5.791 -1.188 -0.089) 5.912 1.644 ( -5.791 1.188 -0.089) 5.912 1.757 ( 1.368 -3.454 0.456) 3.742 1.757 ( 1.368 3.454 0.456) 3.742 1.989 ( 1.128 -6.022 1.723) 6.365 1.989 ( 1.128 6.022 1.723) 6.365 2.177 ( 0.257 -3.844 -0.507) 3.885 2.177 ( 0.257 3.844 -0.507) 3.885 2.436 ( -1.540 -3.853 -0.755) 4.217 2.436 ( -1.540 3.853 -0.755) 4.217 2.604 ( 2.316 -8.760 4.067) 9.932 2.604 ( 2.316 8.760 4.067) 9.932 2.828 ( 0.009 -5.501 1.834) 5.799 2.828 ( 0.009 5.501 1.834) 5.799 3.203 ( -0.299 -9.151 -6.043) 10.970 3.203 ( -0.299 9.151 -6.043) 10.970 3.508 ( -3.296 -3.148 -2.006) 4.980 3.508 ( -3.296 3.148 -2.006) 4.980 3.851 ( -1.795 -2.566 2.223) 3.840 3.851 ( -1.795 2.566 2.223) 3.840 3.946 ( 3.682 -3.521 -1.040) 5.200 3.946 ( 3.682 3.521 -1.040) 5.200 4.605 ( 7.402 -2.069 1.605) 7.851 4.605 ( 7.402 2.069 1.605) 7.851 4.914 ( -5.578 -2.752 4.167) 7.486 4.914 ( -5.578 2.752 4.167) 7.486 5.118 ( -2.930 -0.177 -1.526) 3.309 5.118 ( -2.930 0.177 -1.526) 3.309 5.694 ( 1.682 -10.555 0.354) 10.694 5.694 ( 1.682 10.555 0.354) 10.694 6.025 ( -0.375 -4.108 -8.576) 9.516 6.025 ( -0.375 4.108 -8.576) 9.516 6.390 ( -0.902 -1.792 5.552) 5.903 6.390 ( -0.902 1.792 5.552) 5.903 8.526 ( 1.362 -5.728 -0.476) 5.907 8.526 ( 1.362 5.728 -0.476) 5.907 9.070 ( -2.027 -1.911 -1.616) 3.221 9.070 ( -2.027 1.911 -1.616) 3.221 9.441 ( 2.648 -6.151 -5.249) 8.509 9.441 ( 2.648 6.151 -5.249) 8.509 9.733 ( 0.284 -3.671 6.087) 7.114 9.733 ( 0.284 3.671 6.087) 7.114 10.536 ( -2.000 -1.468 7.529) 7.927 10.536 ( -2.000 1.468 7.529) 7.927 11.219 ( 2.254 -3.532 -0.449) 4.214 11.219 ( 2.254 3.532 -0.449) 4.214 11.286 ( -2.629 -10.419 -1.510) 10.851 11.286 ( -2.629 10.419 -1.510) 10.851 11.802 ( 4.731 -1.696 -0.531) 5.053 11.802 ( 4.731 1.696 -0.531) 5.053 12.347 ( -6.884 -5.969 0.262) 9.115 12.347 ( -6.884 5.969 0.262) 9.115 12.811 ( 2.819 -6.467 -1.408) 7.194 12.811 ( 2.819 6.467 -1.408) 7.194 20.370 ( -2.410 -0.848 3.716) 4.509 20.370 ( -2.410 0.848 3.716) 4.509 20.975 ( 5.527 -2.040 -4.732) 7.557 20.975 ( 5.527 2.040 -4.732) 7.557 21.344 ( -2.519 -2.937 0.945) 3.983 21.344 ( -2.519 2.937 0.945) 3.983 21.971 ( -2.489 -5.001 -5.142) 7.593 21.971 ( -2.489 5.001 -5.142) 7.593 22.503 ( 2.613 -1.325 4.225) 5.142 22.503 ( 2.613 1.325 4.225) 5.142 23.183 ( -4.706 -3.267 -6.512) 8.673 23.183 ( -4.706 3.267 -6.512) 8.673 23.649 ( 1.831 -0.990 1.112) 2.360 23.649 ( 1.831 0.990 1.112) 2.360 24.011 ( 2.199 -1.955 6.402) 7.046 24.011 ( 2.199 1.955 6.402) 7.046 ======================= Grid point 93 (50/110) ======================= q-point: ( 0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 2.608 -2.877 -1.405) 4.129 1.105 ( 2.608 2.877 -1.405) 4.129 1.207 ( 3.954 -2.309 -1.323) 4.766 1.207 ( 3.954 2.309 -1.323) 4.766 1.306 ( -2.231 -4.049 -3.127) 5.581 1.306 ( -2.231 4.049 -3.127) 5.581 1.550 ( 0.746 -3.193 -1.808) 3.745 1.550 ( 0.746 3.193 -1.808) 3.745 1.609 ( 1.406 -3.161 0.584) 3.509 1.609 ( 1.406 3.161 0.584) 3.509 1.798 ( 1.814 -2.226 -0.089) 2.873 1.798 ( 1.814 2.226 -0.089) 2.873 2.015 ( -1.611 -1.389 1.714) 2.731 2.015 ( -1.611 1.389 1.714) 2.731 2.195 ( 2.160 -7.334 2.762) 8.129 2.195 ( 2.160 7.334 2.762) 8.129 2.434 ( 1.157 -2.176 0.181) 2.471 2.434 ( 1.157 2.176 0.181) 2.471 2.682 ( 2.485 -5.055 1.518) 5.834 2.682 ( 2.485 5.055 1.518) 5.834 2.864 ( 0.946 -4.883 1.256) 5.129 2.864 ( 0.946 4.883 1.256) 5.129 3.096 ( -2.510 -5.838 -3.390) 7.202 3.096 ( -2.510 5.838 -3.390) 7.202 3.537 ( 5.345 -2.029 -3.370) 6.637 3.537 ( 5.345 2.029 -3.370) 6.637 3.798 ( -1.613 -3.393 -2.158) 4.333 3.798 ( -1.613 3.393 -2.158) 4.333 4.098 ( 9.761 -3.044 1.899) 10.400 4.098 ( 9.761 3.044 1.899) 10.400 4.706 ( -4.769 -6.211 2.807) 8.319 4.706 ( -4.769 6.211 2.807) 8.319 4.901 ( 5.411 -3.383 1.386) 6.530 4.901 ( 5.411 3.383 1.386) 6.530 5.055 ( -0.597 -1.725 -0.333) 1.856 5.055 ( -0.597 1.725 -0.333) 1.856 5.703 ( -1.474 -7.204 -0.076) 7.354 5.703 ( -1.474 7.204 -0.076) 7.354 5.956 ( -0.338 -6.211 -6.231) 8.804 5.956 ( -0.338 6.211 -6.231) 8.804 6.387 ( -3.010 -1.255 3.982) 5.147 6.387 ( -3.010 1.255 3.982) 5.147 8.595 ( 5.731 -5.501 -0.881) 7.992 8.595 ( 5.731 5.501 -0.881) 7.992 9.020 ( -1.378 -1.848 -0.932) 2.486 9.020 ( -1.378 1.848 -0.932) 2.486 9.451 ( 2.591 -3.577 -4.454) 6.273 9.451 ( 2.591 3.577 -4.454) 6.273 9.815 ( 3.070 -1.717 4.724) 5.890 9.815 ( 3.070 1.717 4.724) 5.890 10.527 ( -5.893 -4.399 7.643) 10.606 10.527 ( -5.893 4.399 7.643) 10.606 11.075 ( -9.567 -4.141 -1.415) 10.520 11.075 ( -9.567 4.141 -1.415) 10.520 11.371 ( 5.020 -6.658 0.087) 8.339 11.371 ( 5.020 6.658 0.087) 8.339 11.875 ( 3.218 -2.948 0.429) 4.385 11.875 ( 3.218 2.948 0.429) 4.385 12.211 ( -6.009 -2.233 -1.450) 6.572 12.211 ( -6.009 2.233 -1.450) 6.572 12.836 ( 0.749 -4.890 -0.950) 5.037 12.836 ( 0.749 4.890 -0.950) 5.037 20.371 ( -0.650 -1.602 3.125) 3.571 20.371 ( -0.650 1.602 3.125) 3.571 21.075 ( 8.007 -5.620 -4.282) 10.679 21.075 ( 8.007 5.620 -4.282) 10.679 21.358 ( 2.714 -1.938 -0.199) 3.341 21.358 ( 2.714 1.938 -0.199) 3.341 21.915 ( 1.887 -4.410 -3.404) 5.882 21.915 ( 1.887 4.410 -3.404) 5.882 22.607 ( 3.967 -3.156 3.770) 6.317 22.607 ( 3.967 3.156 3.770) 6.317 23.035 ( -4.219 -2.383 -4.513) 6.622 23.035 ( -4.219 2.383 -4.513) 6.622 23.651 ( -2.672 -1.811 -0.275) 3.239 23.651 ( -2.672 1.811 -0.275) 3.239 24.082 ( -0.454 -6.564 5.644) 8.669 24.082 ( -0.454 6.564 5.644) 8.669 ======================= Grid point 95 (51/110) ======================= q-point: ( 0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 1.952 -1.624 -0.858) 2.680 1.140 ( 1.952 1.624 -0.858) 2.680 1.214 ( 2.737 -5.238 -7.221) 9.331 1.214 ( 2.737 5.238 -7.221) 9.331 1.346 ( 3.647 -5.313 3.151) 7.173 1.346 ( 3.647 5.313 3.151) 7.173 1.545 ( -0.364 -5.657 -0.407) 5.683 1.545 ( -0.364 5.657 -0.407) 5.683 1.643 ( 1.548 -1.834 -1.351) 2.754 1.643 ( 1.548 1.834 -1.351) 2.754 1.801 ( -1.098 -2.136 0.129) 2.405 1.801 ( -1.098 2.136 0.129) 2.405 2.041 ( 3.650 -5.122 1.661) 6.505 2.041 ( 3.650 5.122 1.661) 6.505 2.247 ( -0.139 -7.349 3.153) 7.998 2.247 ( -0.139 7.349 3.153) 7.998 2.440 ( -0.840 -7.880 -1.246) 8.022 2.440 ( -0.840 7.880 -1.246) 8.022 2.706 ( 0.161 -2.876 -1.040) 3.062 2.706 ( 0.161 2.876 -1.040) 3.062 2.899 ( 2.704 -2.113 1.271) 3.659 2.899 ( 2.704 2.113 1.271) 3.660 3.077 ( 0.803 -6.177 -1.435) 6.392 3.077 ( 0.803 6.177 -1.435) 6.392 3.580 ( 1.074 -1.891 -0.035) 2.175 3.580 ( 1.074 1.891 -0.035) 2.175 3.796 ( 2.680 -3.513 -1.926) 4.820 3.796 ( 2.680 3.513 -1.926) 4.820 4.273 ( 5.077 -4.090 -2.175) 6.873 4.273 ( 5.077 4.090 -2.175) 6.873 4.580 ( -2.429 -8.135 -0.632) 8.514 4.580 ( -2.429 8.135 -0.632) 8.514 5.060 ( 2.751 -0.322 4.209) 5.038 5.060 ( 2.751 0.322 4.209) 5.038 5.110 ( 7.296 -5.333 1.977) 9.251 5.110 ( 7.296 5.333 1.977) 9.251 5.623 ( -5.271 -5.404 -3.282) 8.231 5.623 ( -5.271 5.404 -3.282) 8.231 5.905 ( -0.866 -6.225 -1.630) 6.493 5.905 ( -0.866 6.225 -1.630) 6.493 6.366 ( -2.395 -4.035 3.107) 5.627 6.366 ( -2.395 4.035 3.107) 5.627 8.705 ( 6.467 -3.912 -1.703) 7.747 8.705 ( 6.467 3.912 -1.703) 7.747 9.001 ( -0.772 -3.724 0.095) 3.804 9.001 ( -0.772 3.724 0.095) 3.804 9.467 ( 2.881 -2.194 -3.380) 4.954 9.467 ( 2.881 2.194 -3.380) 4.954 9.921 ( 4.693 -1.494 1.390) 5.118 9.921 ( 4.693 1.494 1.390) 5.118 10.460 ( -6.674 -6.440 6.686) 11.433 10.460 ( -6.674 6.440 6.686) 11.433 10.865 ( -11.369 -1.873 -0.142) 11.523 10.865 ( -11.369 1.873 -0.142) 11.523 11.442 ( 3.078 -4.663 -1.405) 5.761 11.442 ( 3.078 4.663 -1.405) 5.761 11.938 ( 1.996 -6.001 0.637) 6.356 11.938 ( 1.996 6.001 0.637) 6.356 12.107 ( -3.430 -3.010 0.209) 4.568 12.107 ( -3.430 3.010 0.209) 4.568 12.830 ( -0.176 -3.666 -1.067) 3.822 12.830 ( -0.176 3.666 -1.067) 3.822 20.393 ( -0.033 -2.078 2.935) 3.597 20.393 ( -0.033 2.078 2.935) 3.597 21.156 ( 4.866 -7.284 -8.073) 11.912 21.156 ( 4.866 7.284 -8.073) 11.912 21.433 ( 4.176 -1.242 3.354) 5.498 21.433 ( 4.176 1.242 3.354) 5.498 22.005 ( 8.183 -4.760 -0.017) 9.467 22.005 ( 8.183 4.760 -0.017) 9.467 22.685 ( 2.307 -5.390 -1.593) 6.075 22.685 ( 2.307 5.390 -1.593) 6.075 22.974 ( -1.407 -3.052 2.620) 4.261 22.974 ( -1.407 3.052 2.620) 4.261 23.558 ( -5.223 -2.449 -0.979) 5.852 23.558 ( -5.223 2.449 -0.979) 5.852 24.085 ( -2.539 -9.831 1.490) 10.262 24.085 ( -2.539 9.831 1.490) 10.262 ======================= Grid point 97 (52/110) ======================= q-point: ( 0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 1.585 -0.203 -1.973) 2.539 1.160 ( 1.585 0.203 -1.973) 2.539 1.238 ( 4.574 -4.015 -5.041) 7.903 1.238 ( 4.574 4.015 -5.041) 7.903 1.383 ( -1.949 -2.886 0.887) 3.593 1.383 ( -1.949 2.886 0.887) 3.593 1.548 ( -0.437 -6.851 1.065) 6.947 1.548 ( -0.437 6.851 1.065) 6.947 1.640 ( 0.737 -3.978 -0.951) 4.156 1.640 ( 0.737 3.978 -0.951) 4.156 1.784 ( -0.641 -3.051 -1.279) 3.369 1.784 ( -0.641 3.051 -1.279) 3.369 2.086 ( -0.002 -7.497 -4.032) 8.512 2.086 ( -0.002 7.497 -4.032) 8.512 2.263 ( -2.574 -11.766 4.852) 12.984 2.263 ( -2.574 11.766 4.852) 12.984 2.440 ( 4.795 -6.651 -0.151) 8.201 2.440 ( 4.795 6.651 -0.151) 8.201 2.681 ( -2.215 -3.190 -1.700) 4.239 2.681 ( -2.215 3.190 -1.700) 4.239 2.963 ( 1.672 -4.364 0.692) 4.724 2.963 ( 1.672 4.364 0.692) 4.724 3.077 ( 0.879 -5.015 0.040) 5.092 3.077 ( 0.879 5.015 0.040) 5.092 3.597 ( -0.070 -3.679 0.611) 3.730 3.597 ( -0.070 3.679 0.611) 3.730 3.831 ( 1.629 -3.116 0.054) 3.517 3.831 ( 1.629 3.116 0.054) 3.517 4.258 ( 0.462 -5.448 -2.660) 6.080 4.258 ( 0.462 5.448 -2.660) 6.080 4.630 ( 3.119 -4.242 -1.330) 5.431 4.630 ( 3.119 4.242 -1.330) 5.431 5.073 ( -2.116 -2.972 0.443) 3.675 5.073 ( -2.116 2.972 0.443) 3.675 5.308 ( 6.592 -4.513 6.549) 10.330 5.308 ( 6.592 4.513 6.549) 10.330 5.488 ( -3.613 -5.067 -2.793) 6.822 5.488 ( -3.613 5.067 -2.793) 6.822 5.894 ( -0.067 -3.590 0.345) 3.608 5.894 ( -0.067 3.590 0.345) 3.608 6.342 ( -2.288 -6.064 1.497) 6.652 6.342 ( -2.288 6.064 1.497) 6.652 8.806 ( 4.679 -1.317 -0.634) 4.902 8.806 ( 4.679 1.317 -0.634) 4.902 8.975 ( -1.550 -9.250 -0.537) 9.395 8.975 ( -1.550 9.250 -0.537) 9.395 9.500 ( 3.126 -3.518 -3.188) 5.684 9.500 ( 3.126 3.518 -3.188) 5.684 9.980 ( 0.338 -0.748 -1.730) 1.915 9.980 ( 0.338 0.748 -1.730) 1.915 10.438 ( -0.971 -5.391 6.713) 8.665 10.438 ( -0.971 5.391 6.713) 8.665 10.658 ( -8.812 -0.404 0.254) 8.825 10.658 ( -8.812 0.404 0.254) 8.825 11.477 ( 2.459 -2.997 -1.864) 4.302 11.477 ( 2.459 2.997 -1.864) 4.302 11.896 ( -3.817 -3.667 -4.850) 7.179 11.896 ( -3.817 3.667 -4.850) 7.179 12.135 ( 2.381 -2.475 6.127) 7.023 12.135 ( 2.381 2.475 6.127) 7.023 12.818 ( 0.002 -3.167 -1.099) 3.352 12.818 ( 0.002 3.167 -1.099) 3.352 20.415 ( -0.555 -2.280 3.175) 3.948 20.415 ( -0.555 2.280 3.175) 3.948 21.129 ( 1.763 -5.399 -10.462) 11.904 21.129 ( 1.763 5.399 -10.462) 11.904 21.575 ( 4.000 -2.848 9.335) 10.548 21.575 ( 4.000 2.848 9.335) 10.548 22.155 ( 4.643 -4.670 0.499) 6.604 22.155 ( 4.643 4.670 0.499) 6.604 22.697 ( 3.366 -6.645 -3.573) 8.261 22.697 ( 3.366 6.645 -3.573) 8.261 22.959 ( -4.886 -3.154 3.195) 6.635 22.959 ( -4.886 3.154 3.195) 6.635 23.491 ( -0.856 -2.889 1.028) 3.183 23.491 ( -0.856 2.889 1.028) 3.183 24.021 ( -2.762 -11.286 -3.230) 12.060 24.021 ( -2.762 11.286 -3.230) 12.060 ======================= Grid point 99 (53/110) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -0.085 -2.542 -1.311) 2.862 1.161 ( -0.085 2.542 -1.311) 2.862 1.260 ( -0.280 -3.934 -2.421) 4.628 1.260 ( -0.280 3.934 -2.421) 4.628 1.353 ( 1.533 -5.195 -2.890) 6.139 1.353 ( 1.533 5.195 -2.890) 6.139 1.505 ( -3.967 -4.434 -0.443) 5.966 1.505 ( -3.967 4.434 -0.443) 5.966 1.661 ( 1.466 -1.896 -1.839) 3.022 1.661 ( 1.466 1.896 -1.839) 3.022 1.771 ( 0.319 -2.973 1.452) 3.324 1.771 ( 0.319 2.973 1.452) 3.324 2.015 ( -1.529 -4.895 -4.725) 6.974 2.015 ( -1.529 4.895 -4.725) 6.974 2.246 ( -1.233 -10.573 1.816) 10.799 2.246 ( -1.233 10.574 1.816) 10.799 2.544 ( -2.753 -6.437 3.310) 7.744 2.544 ( -2.753 6.437 3.310) 7.744 2.621 ( 2.831 -3.284 -2.471) 4.991 2.621 ( 2.831 3.284 -2.471) 4.991 2.958 ( -1.071 -2.587 -1.146) 3.025 2.958 ( -1.071 2.587 -1.146) 3.025 3.103 ( -0.348 -4.228 0.740) 4.306 3.103 ( -0.348 4.228 0.740) 4.306 3.593 ( 0.084 -2.223 1.072) 2.469 3.593 ( 0.084 2.223 1.072) 2.469 3.864 ( 1.317 -2.560 1.017) 3.053 3.864 ( 1.317 2.560 1.017) 3.053 4.309 ( 5.881 -5.055 -1.822) 7.966 4.309 ( 5.881 5.055 -1.822) 7.966 4.566 ( -8.295 -1.114 -1.810) 8.563 4.566 ( -8.295 1.114 -1.810) 8.563 5.029 ( -1.152 -4.039 -1.391) 4.424 5.029 ( -1.152 4.039 -1.391) 4.424 5.301 ( -7.500 -3.608 2.873) 8.804 5.301 ( -7.500 3.608 2.873) 8.804 5.588 ( 7.175 -6.671 4.278) 10.691 5.588 ( 7.175 6.671 4.278) 10.691 5.914 ( 2.786 -2.106 0.813) 3.586 5.914 ( 2.786 2.106 0.813) 3.586 6.304 ( -2.131 -6.075 -0.225) 6.442 6.304 ( -2.131 6.075 -0.225) 6.442 8.814 ( -4.087 -4.750 -0.326) 6.274 8.814 ( -4.087 4.750 -0.326) 6.274 8.985 ( 3.525 -5.811 -0.359) 6.806 8.985 ( 3.525 5.811 -0.359) 6.806 9.516 ( 1.638 -4.405 -3.976) 6.156 9.516 ( 1.638 4.405 -3.976) 6.156 9.907 ( -5.229 -4.532 -1.885) 7.172 9.907 ( -5.229 4.532 -1.885) 7.172 10.433 ( -5.559 -6.053 5.087) 9.665 10.433 ( -5.559 6.053 5.087) 9.665 10.663 ( 8.576 -6.478 1.410) 10.840 10.663 ( 8.576 6.478 1.410) 10.840 11.513 ( 2.661 -1.386 -0.828) 3.113 11.513 ( 2.661 1.386 -0.828) 3.113 11.759 ( -4.750 -0.595 -6.262) 7.882 11.759 ( -4.750 0.595 -6.262) 7.882 12.250 ( 3.191 -1.822 6.815) 7.743 12.250 ( 3.191 1.822 6.815) 7.743 12.809 ( 0.092 -2.357 -1.614) 2.858 12.809 ( 0.092 2.357 -1.614) 2.858 20.425 ( -1.562 -2.122 3.612) 4.471 20.425 ( -1.562 2.122 3.612) 4.471 21.064 ( 0.923 -3.813 -9.673) 10.438 21.064 ( 0.923 3.813 -9.673) 10.438 21.714 ( -0.235 -4.632 11.354) 12.265 21.714 ( -0.235 4.632 11.354) 12.265 22.132 ( -5.482 -4.938 -0.974) 7.442 22.132 ( -5.482 4.938 -0.974) 7.442 22.750 ( -2.470 -1.829 -2.582) 4.014 22.750 ( -2.470 1.829 -2.582) 4.014 22.885 ( 2.622 -1.355 1.788) 3.451 22.885 ( 2.622 1.355 1.788) 3.451 23.538 ( 3.251 -3.556 3.370) 5.880 23.538 ( 3.251 3.556 3.370) 5.880 23.938 ( -1.317 -10.133 -6.761) 12.252 23.938 ( -1.317 10.133 -6.761) 12.252 ======================= Grid point 101 (54/110) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.638 -2.756 0.581) 2.888 1.148 ( -0.638 2.756 0.581) 2.888 1.201 ( -3.085 -3.071 -1.112) 4.493 1.201 ( -3.085 3.071 -1.112) 4.493 1.347 ( 0.552 -4.468 -7.722) 8.938 1.347 ( 0.552 4.468 -7.722) 8.938 1.440 ( -0.198 -2.537 0.437) 2.582 1.440 ( -0.198 2.537 0.437) 2.582 1.692 ( 2.446 -1.314 0.559) 2.832 1.692 ( 2.446 1.314 0.559) 2.832 1.782 ( -1.320 -1.429 0.978) 2.177 1.782 ( -1.320 1.429 0.978) 2.177 2.000 ( 2.279 -2.898 0.648) 3.744 2.000 ( 2.279 2.898 0.648) 3.744 2.222 ( -3.295 -10.953 -1.561) 11.544 2.222 ( -3.295 10.953 -1.561) 11.544 2.455 ( -3.267 -6.336 0.585) 7.153 2.455 ( -3.267 6.336 0.585) 7.153 2.659 ( -0.991 -4.994 -1.263) 5.246 2.659 ( -0.991 4.994 -1.263) 5.246 2.914 ( -2.884 -1.899 -0.344) 3.470 2.914 ( -2.884 1.899 -0.344) 3.470 3.095 ( 1.337 -5.278 0.026) 5.445 3.095 ( 1.337 5.278 0.026) 5.445 3.633 ( 1.664 -1.807 2.359) 3.406 3.633 ( 1.664 1.807 2.359) 3.406 3.888 ( 0.322 -1.659 -0.009) 1.690 3.888 ( 0.322 1.659 -0.009) 1.690 4.273 ( -13.465 -2.850 -2.839) 14.053 4.273 ( -13.465 2.850 -2.839) 14.053 4.441 ( 3.571 -5.819 -3.100) 7.498 4.441 ( 3.571 5.819 -3.100) 7.498 5.021 ( 0.158 -4.033 2.099) 4.549 5.021 ( 0.158 4.033 2.099) 4.549 5.178 ( -7.468 -2.301 3.356) 8.505 5.178 ( -7.468 2.301 3.356) 8.505 5.672 ( 0.575 -7.225 -0.268) 7.253 5.672 ( 0.575 7.225 -0.268) 7.253 6.044 ( 7.370 -0.904 1.927) 7.672 6.044 ( 7.370 0.904 1.927) 7.672 6.266 ( -1.243 -4.810 0.272) 4.976 6.266 ( -1.243 4.810 0.272) 4.976 8.693 ( -6.545 -7.864 -1.841) 10.396 8.693 ( -6.545 7.864 -1.841) 10.396 9.054 ( 2.484 -2.659 1.456) 3.919 9.054 ( 2.484 2.659 1.456) 3.919 9.498 ( 1.225 -4.721 -6.192) 7.883 9.498 ( 1.225 4.721 -6.192) 7.883 9.782 ( -6.575 -6.420 1.279) 9.278 9.782 ( -6.575 6.420 1.279) 9.278 10.417 ( -0.310 -8.331 4.832) 9.636 10.417 ( -0.310 8.331 4.832) 9.636 10.875 ( 10.755 -7.041 1.256) 12.916 10.875 ( 10.755 7.041 1.256) 12.916 11.544 ( -2.031 -3.469 0.343) 4.034 11.544 ( -2.031 3.469 0.343) 4.034 11.642 ( 1.142 -1.745 -6.143) 6.488 11.642 ( 1.142 1.745 -6.143) 6.488 12.366 ( 2.192 -2.632 7.161) 7.939 12.366 ( 2.192 2.632 7.161) 7.939 12.789 ( 0.143 -1.301 -3.276) 3.528 12.789 ( 0.143 1.301 -3.276) 3.528 20.417 ( -2.714 -1.492 4.008) 5.065 20.417 ( -2.714 1.492 4.008) 5.065 21.001 ( 0.761 -2.906 -8.199) 8.732 21.001 ( 0.761 2.906 -8.199) 8.732 21.679 ( -11.798 -4.596 5.186) 13.682 21.679 ( -11.798 4.596 5.186) 13.682 22.056 ( -1.489 -5.574 2.986) 6.496 22.056 ( -1.489 5.574 2.986) 6.496 22.574 ( -7.309 -1.995 -4.963) 9.057 22.574 ( -7.309 1.995 -4.963) 9.057 23.071 ( 8.772 -2.587 5.227) 10.533 23.071 ( 8.772 2.587 5.227) 10.533 23.645 ( 3.132 -3.229 3.198) 5.519 23.645 ( 3.132 3.229 3.198) 5.519 23.855 ( 0.208 -6.469 -7.469) 9.883 23.855 ( 0.208 6.469 -7.469) 9.883 ======================= Grid point 103 (55/110) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -2.211 -4.267 -1.954) 5.188 1.124 ( -2.211 4.267 -1.954) 5.188 1.148 ( -0.160 -5.860 -1.573) 6.070 1.148 ( -0.160 5.860 -1.573) 6.070 1.327 ( 3.094 -2.979 -1.446) 4.532 1.327 ( 3.094 2.979 -1.446) 4.532 1.473 ( 2.714 -2.341 -1.039) 3.731 1.473 ( 2.714 2.341 -1.039) 3.731 1.726 ( -1.598 -2.917 2.387) 4.094 1.726 ( -1.598 2.917 2.387) 4.094 1.752 ( -1.055 -3.747 -0.388) 3.912 1.752 ( -1.055 3.747 -0.388) 3.912 2.039 ( -4.385 -7.873 -0.878) 9.054 2.039 ( -4.385 7.873 -0.878) 9.054 2.127 ( 2.419 -4.126 -1.027) 4.892 2.127 ( 2.419 4.126 -1.027) 4.892 2.467 ( 0.767 -7.363 1.427) 7.539 2.467 ( 0.767 7.363 1.427) 7.539 2.580 ( -3.507 -8.944 -0.505) 9.620 2.580 ( -3.507 8.944 -0.505) 9.620 2.852 ( -3.388 -5.302 0.990) 6.369 2.852 ( -3.388 5.302 0.990) 6.369 3.165 ( 5.621 -7.264 -2.150) 9.433 3.165 ( 5.621 7.264 -2.150) 9.433 3.647 ( -4.649 -5.510 2.099) 7.508 3.647 ( -4.649 5.510 2.099) 7.508 3.861 ( -2.198 -4.387 -1.707) 5.195 3.861 ( -2.198 4.387 -1.707) 5.195 3.998 ( -8.623 -3.386 -0.778) 9.297 3.998 ( -8.623 3.386 -0.778) 9.297 4.492 ( 5.164 -3.953 -3.623) 7.444 4.492 ( 5.164 3.953 -3.623) 7.444 5.001 ( -7.236 -1.696 5.888) 9.482 5.001 ( -7.236 1.696 5.888) 9.482 5.134 ( 0.696 -1.967 1.342) 2.481 5.134 ( 0.696 1.967 1.342) 2.481 5.668 ( 0.989 -10.163 -1.662) 10.346 5.668 ( 0.989 10.163 -1.662) 10.346 6.102 ( 0.596 -2.715 -6.739) 7.290 6.102 ( 0.596 2.715 -6.739) 7.290 6.315 ( 2.401 -2.589 6.725) 7.596 6.315 ( 2.401 2.589 6.725) 7.596 8.565 ( -4.323 -6.624 -1.504) 8.052 8.565 ( -4.323 6.624 -1.504) 8.052 9.095 ( 0.380 -1.143 0.610) 1.350 9.095 ( 0.380 1.143 0.610) 1.350 9.458 ( 1.158 -5.680 -7.082) 9.152 9.458 ( 1.158 5.680 -7.082) 9.152 9.711 ( -3.305 -5.475 4.854) 8.029 9.711 ( -3.305 5.475 4.854) 8.029 10.481 ( 1.011 -5.532 6.245) 8.404 10.481 ( 1.011 5.532 6.245) 8.404 11.074 ( 9.051 -6.736 0.623) 11.300 11.074 ( 9.051 6.736 0.623) 11.300 11.427 ( -6.339 -6.513 -2.983) 9.566 11.427 ( -6.339 6.513 -2.983) 9.566 11.705 ( 5.880 -1.377 -1.353) 6.189 11.705 ( 5.880 1.377 -1.353) 6.189 12.426 ( -2.766 -6.187 5.238) 8.565 12.426 ( -2.766 6.187 5.238) 8.565 12.776 ( 2.337 -5.239 -3.682) 6.817 12.776 ( 2.337 5.239 -3.682) 6.817 20.394 ( -3.328 -0.386 4.126) 5.314 20.394 ( -3.328 0.386 4.126) 5.314 20.958 ( 1.791 -1.697 -6.512) 6.964 20.958 ( 1.791 1.697 -6.512) 6.964 21.462 ( -10.802 -3.208 1.497) 11.367 21.462 ( -10.802 3.208 1.497) 11.367 22.051 ( -2.142 -6.435 -0.394) 6.794 22.051 ( -2.142 6.435 -0.394) 6.794 22.462 ( -1.191 -1.135 -0.270) 1.667 22.462 ( -1.191 1.135 -0.270) 1.667 23.237 ( 3.434 -3.805 1.421) 5.319 23.237 ( 3.434 3.805 1.421) 5.319 23.638 ( -1.487 -1.046 -2.535) 3.119 23.638 ( -1.487 1.046 -2.535) 3.119 23.896 ( 4.955 -0.213 2.559) 5.581 23.896 ( 4.955 0.213 2.559) 5.581 ======================= Grid point 126 (56/110) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 2.238 0.000 12.683) 12.879 0.651 ( 0.974 0.000 15.494) 15.525 1.008 ( -0.283 0.000 -10.697) 10.700 1.167 ( 2.388 0.000 0.248) 2.401 1.263 ( -5.252 0.000 6.351) 8.241 1.346 ( 4.654 0.000 2.311) 5.196 1.436 ( 0.339 0.000 0.742) 0.816 1.452 ( -0.933 0.000 0.967) 1.344 1.531 ( -0.175 0.000 0.705) 0.727 1.563 ( -0.505 0.000 -4.146) 4.177 1.620 ( 0.576 0.000 3.043) 3.097 1.895 ( -3.621 0.000 -1.677) 3.990 1.958 ( -1.706 0.000 -4.400) 4.719 2.047 ( 1.239 0.000 -5.502) 5.640 2.147 ( 4.470 0.000 -2.737) 5.241 2.248 ( -7.106 0.000 -2.866) 7.662 2.448 ( 4.213 0.000 0.076) 4.214 2.508 ( 9.351 0.000 8.194) 12.433 2.573 ( -4.055 0.000 -1.696) 4.396 2.686 ( -1.361 0.000 1.898) 2.336 2.994 ( -7.381 0.000 2.603) 7.826 3.117 ( 1.353 0.000 3.015) 3.304 3.314 ( 5.514 0.000 -2.132) 5.912 3.457 ( -0.604 0.000 -9.161) 9.180 3.606 ( 0.288 0.000 5.105) 5.113 3.686 ( 3.856 0.000 4.215) 5.713 3.826 ( -11.519 0.000 3.365) 12.000 3.984 ( 5.057 0.000 -0.445) 5.076 4.272 ( 0.898 0.000 2.550) 2.703 4.417 ( 5.117 0.000 -3.881) 6.422 4.476 ( 10.678 0.000 5.155) 11.857 4.877 ( 14.121 0.000 1.270) 14.178 5.017 ( -9.549 0.000 3.239) 10.083 5.051 ( -13.265 0.000 -11.775) 17.737 5.094 ( -2.431 0.000 8.691) 9.025 5.249 ( -2.563 0.000 -1.601) 3.022 5.393 ( 2.496 0.000 -10.675) 10.963 5.402 ( -4.850 0.000 -5.431) 7.282 6.189 ( -3.531 0.000 -0.108) 3.532 6.221 ( 2.220 0.000 -2.034) 3.011 6.480 ( 2.352 0.000 5.977) 6.423 6.652 ( 0.151 0.000 -1.766) 1.772 8.411 ( -7.308 0.000 2.716) 7.796 8.554 ( 9.197 0.000 -4.281) 10.145 9.035 ( -13.069 0.000 1.879) 13.203 9.104 ( 6.513 0.000 -1.593) 6.705 9.256 ( 6.400 0.000 4.090) 7.595 9.464 ( -2.521 0.000 -3.312) 4.162 9.699 ( -2.173 0.000 5.834) 6.225 9.806 ( 0.815 0.000 -1.734) 1.916 10.176 ( -11.414 0.000 2.871) 11.769 10.260 ( 6.274 0.000 1.407) 6.430 10.929 ( -0.573 0.000 0.916) 1.081 11.006 ( 2.376 0.000 -1.922) 3.056 11.337 ( 3.530 0.000 0.539) 3.571 11.500 ( -0.822 0.000 -7.302) 7.349 11.751 ( 1.519 0.000 8.095) 8.236 12.050 ( -0.919 0.000 -4.667) 4.757 12.226 ( 3.569 0.000 5.564) 6.611 12.610 ( -1.945 0.000 -9.985) 10.172 12.631 ( -2.676 0.000 6.739) 7.251 12.822 ( 4.135 0.000 -2.921) 5.062 20.556 ( 0.305 0.000 5.778) 5.786 20.742 ( -28.296 0.000 3.689) 28.535 20.808 ( 0.741 0.000 -5.871) 5.918 20.947 ( 8.740 0.000 -6.707) 11.017 21.293 ( -0.657 0.000 3.766) 3.822 21.443 ( 2.462 0.000 -3.437) 4.228 21.513 ( 0.740 0.000 5.846) 5.892 21.686 ( -0.245 0.000 -2.755) 2.766 22.677 ( 3.330 0.000 4.391) 5.511 22.888 ( -2.871 0.000 -5.164) 5.908 22.983 ( -0.665 0.000 1.213) 1.383 23.065 ( -4.736 0.000 -2.634) 5.419 23.567 ( -2.305 0.000 4.204) 4.795 23.707 ( 3.170 0.000 -2.789) 4.223 24.092 ( -11.708 0.000 6.810) 13.545 24.360 ( 29.676 0.000 -5.830) 30.243 ======================= Grid point 127 (57/110) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 13.895 0.000 4.032) 14.468 0.857 ( 5.901 0.000 12.964) 14.243 1.001 ( 8.401 0.000 -7.196) 11.061 1.144 ( 3.111 0.000 -8.707) 9.246 1.266 ( -1.409 0.000 2.448) 2.825 1.393 ( -5.807 0.000 0.563) 5.834 1.441 ( 2.252 0.000 -2.302) 3.220 1.446 ( -1.910 0.000 0.108) 1.913 1.559 ( 2.814 0.000 0.541) 2.866 1.578 ( 7.431 0.000 -2.346) 7.793 1.766 ( 4.594 0.000 13.725) 14.473 1.845 ( -1.581 0.000 -4.384) 4.661 1.877 ( 0.425 0.000 1.545) 1.602 2.041 ( 2.807 0.000 -3.476) 4.468 2.095 ( -6.364 0.000 -3.155) 7.104 2.206 ( 3.865 0.000 -2.402) 4.550 2.458 ( -4.146 0.000 -2.178) 4.684 2.502 ( -0.536 0.000 -0.523) 0.749 2.673 ( 1.583 0.000 -4.336) 4.616 2.762 ( 9.077 0.000 4.047) 9.938 2.906 ( -6.321 0.000 8.857) 10.881 3.129 ( -0.673 0.000 0.357) 0.761 3.321 ( -4.344 0.000 -6.300) 7.652 3.400 ( 5.392 0.000 -2.393) 5.899 3.635 ( -0.725 0.000 3.280) 3.359 3.672 ( -4.333 0.000 -0.695) 4.389 3.867 ( 7.893 0.000 4.661) 9.166 4.150 ( 10.721 0.000 0.507) 10.733 4.298 ( 1.542 0.000 1.461) 2.124 4.491 ( 6.392 0.000 -6.346) 9.007 4.629 ( -13.211 0.000 -16.095) 20.823 4.632 ( -5.146 0.000 -0.303) 5.155 4.928 ( 0.673 0.000 7.402) 7.433 5.079 ( 3.720 0.000 4.543) 5.872 5.128 ( -0.183 0.000 8.031) 8.033 5.244 ( -0.586 0.000 -1.688) 1.787 5.351 ( 5.069 0.000 -4.298) 6.646 5.432 ( 6.078 0.000 -1.523) 6.266 6.072 ( -8.264 0.000 0.929) 8.316 6.216 ( -1.574 0.000 -0.843) 1.786 6.513 ( -3.511 0.000 4.139) 5.427 6.515 ( -10.605 0.000 -2.335) 10.859 8.273 ( -7.905 0.000 2.146) 8.191 8.662 ( 2.156 0.000 -5.755) 6.146 8.862 ( -3.980 0.000 6.677) 7.773 9.253 ( 6.535 0.000 0.131) 6.536 9.333 ( -3.074 0.000 -6.886) 7.541 9.378 ( 2.796 0.000 4.155) 5.008 9.747 ( 1.391 0.000 2.826) 3.150 9.866 ( 4.913 0.000 0.305) 4.922 10.050 ( -5.373 0.000 2.998) 6.153 10.374 ( 3.574 0.000 2.348) 4.276 10.940 ( 1.096 0.000 0.587) 1.244 11.038 ( 2.790 0.000 -2.234) 3.575 11.409 ( 3.125 0.000 1.652) 3.535 11.433 ( 0.886 0.000 -7.754) 7.805 11.819 ( -1.588 0.000 7.773) 7.933 11.964 ( -2.157 0.000 -7.378) 7.687 12.346 ( 2.299 0.000 8.620) 8.922 12.463 ( -3.481 0.000 -12.026) 12.520 12.609 ( -5.173 0.000 4.294) 6.723 12.769 ( -4.416 0.000 -0.101) 4.417 20.460 ( -9.523 0.000 8.366) 12.676 20.642 ( 2.429 0.000 7.938) 8.301 20.741 ( -0.481 0.000 -5.971) 5.991 21.166 ( 13.353 0.000 0.301) 13.356 21.356 ( 4.089 0.000 3.460) 5.356 21.474 ( 4.289 0.000 -4.385) 6.134 21.617 ( 5.355 0.000 4.425) 6.947 21.673 ( 1.852 0.000 -3.317) 3.800 22.721 ( -8.035 0.000 -5.184) 9.562 22.766 ( 1.389 0.000 4.932) 5.124 23.019 ( 0.102 0.000 -0.212) 0.235 23.041 ( 3.940 0.000 3.179) 5.063 23.544 ( -3.565 0.000 3.230) 4.811 23.720 ( 0.896 0.000 -3.433) 3.548 23.844 ( -16.655 0.000 0.675) 16.669 24.640 ( 10.849 0.000 -12.505) 16.555 ======================= Grid point 128 (58/110) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 5.465 0.000 -8.746) 10.313 1.014 ( -1.096 0.000 6.054) 6.152 1.156 ( 9.594 0.000 0.501) 9.607 1.207 ( 6.108 0.000 -4.492) 7.582 1.235 ( -2.929 0.000 6.973) 7.563 1.335 ( -1.443 0.000 2.720) 3.079 1.383 ( -2.664 0.000 -3.316) 4.254 1.388 ( -3.040 0.000 -0.455) 3.073 1.616 ( 1.143 0.000 2.420) 2.677 1.706 ( 7.741 0.000 -6.114) 9.864 1.818 ( 2.554 0.000 -4.153) 4.875 1.899 ( 0.758 0.000 3.467) 3.549 1.953 ( -5.879 0.000 -0.462) 5.897 1.994 ( 6.704 0.000 6.055) 9.034 2.131 ( 4.202 0.000 3.740) 5.626 2.245 ( 1.851 0.000 -1.408) 2.326 2.396 ( 0.236 0.000 -1.558) 1.576 2.397 ( -1.799 0.000 -11.912) 12.047 2.706 ( 2.359 0.000 0.958) 2.546 2.806 ( -2.656 0.000 0.124) 2.659 3.011 ( 5.433 0.000 7.168) 8.995 3.097 ( -3.138 0.000 -0.104) 3.140 3.246 ( 1.463 0.000 -2.608) 2.990 3.458 ( 2.984 0.000 -3.283) 4.436 3.622 ( -0.613 0.000 -0.357) 0.710 3.641 ( -1.336 0.000 2.090) 2.480 4.040 ( 6.038 0.000 1.269) 6.170 4.304 ( -7.890 0.000 -9.361) 12.242 4.359 ( 10.076 0.000 -2.660) 10.421 4.389 ( 5.569 0.000 2.936) 6.295 4.402 ( -10.366 0.000 -6.564) 12.270 4.554 ( 7.273 0.000 -8.541) 11.218 4.964 ( -3.234 0.000 4.142) 5.255 5.122 ( -2.189 0.000 3.033) 3.740 5.250 ( 2.928 0.000 2.099) 3.603 5.272 ( 1.842 0.000 13.994) 14.114 5.442 ( 5.906 0.000 -2.559) 6.437 5.563 ( 6.266 0.000 2.799) 6.862 5.918 ( -9.104 0.000 3.447) 9.735 6.144 ( -4.638 0.000 -1.579) 4.900 6.272 ( -11.725 0.000 -1.146) 11.781 6.423 ( -7.326 0.000 -0.390) 7.336 8.172 ( -4.774 0.000 3.104) 5.694 8.534 ( -6.801 0.000 -3.685) 7.735 8.994 ( 7.010 0.000 6.432) 9.513 9.174 ( -2.046 0.000 -6.378) 6.698 9.426 ( 6.590 0.000 -0.376) 6.601 9.438 ( 1.155 0.000 0.018) 1.155 9.765 ( -2.826 0.000 4.545) 5.352 9.960 ( 4.506 0.000 -1.566) 4.770 10.021 ( 1.014 0.000 1.432) 1.755 10.425 ( -2.168 0.000 5.229) 5.660 10.980 ( 2.248 0.000 0.231) 2.260 11.070 ( 2.597 0.000 -2.600) 3.675 11.407 ( 3.760 0.000 -6.958) 7.909 11.480 ( 2.024 0.000 2.568) 3.269 11.834 ( -3.781 0.000 8.294) 9.115 11.851 ( -1.765 0.000 -8.889) 9.063 12.261 ( -6.050 0.000 -13.540) 14.830 12.460 ( 1.136 0.000 9.380) 9.449 12.504 ( -6.649 0.000 -1.215) 6.759 12.723 ( -0.999 0.000 2.260) 2.471 20.420 ( -3.161 0.000 7.013) 7.692 20.695 ( 0.821 0.000 -5.334) 5.397 20.784 ( 3.729 0.000 10.008) 10.680 21.323 ( 2.495 0.000 0.652) 2.579 21.533 ( 5.216 0.000 -3.076) 6.055 21.547 ( 8.043 0.000 5.933) 9.995 21.709 ( 4.786 0.000 -2.161) 5.251 21.799 ( 10.325 0.000 4.461) 11.248 22.536 ( -6.823 0.000 -2.460) 7.253 22.806 ( -1.092 0.000 2.458) 2.690 23.021 ( -0.032 0.000 -0.967) 0.968 23.126 ( -0.649 0.000 0.656) 0.923 23.488 ( -4.627 0.000 2.243) 5.142 23.538 ( -9.452 0.000 -3.251) 9.995 23.712 ( 0.990 0.000 -0.747) 1.241 24.649 ( 3.031 0.000 -13.082) 13.429 ======================= Grid point 129 (59/110) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -4.566 0.000 -3.653) 5.847 0.983 ( -5.009 0.000 5.158) 7.190 1.188 ( -0.948 0.000 0.449) 1.049 1.216 ( -6.004 0.000 -1.498) 6.188 1.311 ( 1.250 0.000 -0.314) 1.289 1.327 ( 6.614 0.000 -0.875) 6.671 1.371 ( 2.853 0.000 -0.127) 2.856 1.416 ( 1.713 0.000 0.261) 1.733 1.655 ( 1.313 0.000 1.676) 2.129 1.753 ( 2.898 0.000 -5.316) 6.055 1.841 ( 1.061 0.000 1.611) 1.929 1.900 ( -1.162 0.000 4.314) 4.468 1.925 ( 1.551 0.000 -1.338) 2.049 2.130 ( -4.812 0.000 0.380) 4.827 2.145 ( 1.843 0.000 0.056) 1.844 2.279 ( 4.283 0.000 -6.222) 7.553 2.344 ( 8.896 0.000 -8.733) 12.466 2.394 ( -4.058 0.000 2.589) 4.814 2.746 ( -0.586 0.000 3.644) 3.691 2.784 ( 1.143 0.000 0.660) 1.320 3.025 ( -3.566 0.000 -0.311) 3.579 3.118 ( 1.877 0.000 -0.049) 1.878 3.328 ( 6.350 0.000 2.327) 6.763 3.465 ( 1.131 0.000 -3.279) 3.469 3.611 ( -4.028 0.000 2.785) 4.897 3.640 ( 2.048 0.000 0.682) 2.158 4.035 ( -5.607 0.000 -5.680) 7.981 4.125 ( -3.439 0.000 -6.970) 7.772 4.249 ( 0.346 0.000 -0.394) 0.524 4.471 ( 4.115 0.000 -5.893) 7.188 4.509 ( 1.592 0.000 2.111) 2.644 4.631 ( 7.847 0.000 -7.692) 10.988 4.945 ( -0.880 0.000 3.595) 3.701 5.104 ( -0.607 0.000 0.589) 0.846 5.372 ( 3.947 0.000 7.302) 8.300 5.376 ( -2.828 0.000 12.208) 12.531 5.532 ( 4.972 0.000 3.154) 5.888 5.699 ( 4.548 0.000 3.731) 5.883 5.810 ( -4.983 0.000 5.502) 7.423 6.022 ( -6.560 0.000 -1.992) 6.855 6.096 ( -2.980 0.000 -3.767) 4.803 6.241 ( -7.987 0.000 -6.483) 10.287 8.150 ( -0.805 0.000 4.149) 4.226 8.390 ( -4.409 0.000 -3.624) 5.707 9.141 ( 3.036 0.000 -3.664) 4.758 9.173 ( 4.587 0.000 6.821) 8.220 9.405 ( -1.958 0.000 -5.715) 6.041 9.503 ( 2.050 0.000 -1.619) 2.612 9.746 ( -3.822 0.000 7.556) 8.468 9.989 ( 1.016 0.000 -3.909) 4.039 10.128 ( 7.648 0.000 3.859) 8.566 10.372 ( -7.758 0.000 4.634) 9.037 10.997 ( -0.567 0.000 -0.460) 0.730 11.087 ( 1.633 0.000 -2.940) 3.363 11.493 ( 9.605 0.000 -2.360) 9.890 11.518 ( -0.430 0.000 2.260) 2.300 11.757 ( 0.276 0.000 -8.934) 8.938 11.844 ( -2.898 0.000 10.050) 10.460 11.989 ( -9.697 0.000 -14.250) 17.237 12.357 ( -4.498 0.000 -6.015) 7.511 12.551 ( -0.397 0.000 9.177) 9.186 12.755 ( 1.932 0.000 1.291) 2.324 20.433 ( -1.671 0.000 6.011) 6.239 20.678 ( 2.109 0.000 -5.110) 5.528 20.945 ( 2.955 0.000 11.774) 12.140 21.332 ( -0.669 0.000 -1.495) 1.637 21.609 ( 4.624 0.000 -1.916) 5.006 21.627 ( -2.133 0.000 0.899) 2.315 21.832 ( 7.811 0.000 3.011) 8.371 22.041 ( 2.950 0.000 8.803) 9.284 22.449 ( 0.977 0.000 -0.227) 1.003 22.749 ( -4.763 0.000 -2.418) 5.341 22.984 ( -2.880 0.000 -2.454) 3.784 23.002 ( -3.733 0.000 -6.704) 7.673 23.421 ( -3.379 0.000 1.436) 3.671 23.452 ( -0.966 0.000 -0.998) 1.389 23.814 ( 6.098 0.000 7.207) 9.441 24.551 ( -0.389 0.000 -15.055) 15.060 ======================= Grid point 130 (60/110) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -10.827 0.000 10.499) 15.082 0.903 ( -8.476 0.000 4.350) 9.527 1.128 ( -2.027 0.000 -0.722) 2.152 1.185 ( 0.402 0.000 -1.014) 1.091 1.315 ( 2.364 0.000 -4.138) 4.765 1.375 ( 0.531 0.000 -0.602) 0.803 1.444 ( 3.993 0.000 0.361) 4.009 1.464 ( 3.928 0.000 -3.088) 4.997 1.684 ( 1.118 0.000 -0.750) 1.346 1.749 ( 0.315 0.000 -2.997) 3.013 1.875 ( -7.521 0.000 -3.272) 8.202 1.888 ( -0.360 0.000 6.957) 6.966 1.959 ( 1.836 0.000 4.169) 4.556 2.053 ( -0.051 0.000 -1.942) 1.942 2.099 ( 0.752 0.000 -6.913) 6.954 2.219 ( -8.200 0.000 -1.457) 8.328 2.314 ( 0.567 0.000 -6.045) 6.072 2.515 ( 9.112 0.000 0.692) 9.138 2.743 ( -2.537 0.000 2.705) 3.709 2.847 ( 3.508 0.000 0.432) 3.535 2.962 ( -4.008 0.000 2.113) 4.531 3.084 ( -3.874 0.000 -1.333) 4.097 3.436 ( -2.392 0.000 -2.447) 3.422 3.471 ( 4.330 0.000 2.201) 4.857 3.549 ( -5.026 0.000 4.194) 6.546 3.686 ( 1.320 0.000 1.198) 1.783 3.902 ( -1.064 0.000 -3.398) 3.561 4.038 ( 1.300 0.000 -7.476) 7.588 4.284 ( 0.424 0.000 2.188) 2.228 4.427 ( -1.435 0.000 -6.898) 7.046 4.457 ( -6.973 0.000 1.020) 7.047 4.685 ( 3.700 0.000 -7.921) 8.743 4.986 ( -0.103 0.000 4.708) 4.709 5.094 ( 0.585 0.000 -3.273) 3.325 5.372 ( -6.933 0.000 8.060) 10.631 5.501 ( 3.327 0.000 8.735) 9.347 5.758 ( 11.452 0.000 10.619) 15.617 5.793 ( 3.887 0.000 2.817) 4.801 5.878 ( 3.601 0.000 6.336) 7.288 5.878 ( -5.297 0.000 -4.062) 6.675 6.041 ( -2.464 0.000 -10.254) 10.546 6.080 ( 4.166 0.000 -4.938) 6.461 8.211 ( 2.792 0.000 5.092) 5.808 8.314 ( -0.004 0.000 -3.688) 3.688 9.207 ( 4.884 0.000 -0.461) 4.906 9.216 ( -3.326 0.000 -4.300) 5.436 9.340 ( -0.973 0.000 3.316) 3.456 9.467 ( -3.082 0.000 -4.231) 5.234 9.757 ( -2.188 0.000 7.603) 7.912 9.962 ( -0.026 0.000 -1.406) 1.406 10.223 ( -8.524 0.000 -1.411) 8.640 10.374 ( 12.502 0.000 7.582) 14.621 10.975 ( -1.423 0.000 0.844) 1.655 11.081 ( 0.526 0.000 -3.296) 3.338 11.508 ( -2.739 0.000 1.297) 3.031 11.631 ( -13.445 0.000 -12.828) 18.583 11.681 ( 4.866 0.000 -0.123) 4.868 11.715 ( 6.590 0.000 -5.451) 8.552 11.926 ( 0.494 0.000 13.303) 13.312 12.242 ( -1.163 0.000 -7.720) 7.807 12.600 ( -2.212 0.000 7.883) 8.187 12.793 ( 1.612 0.000 -1.505) 2.205 20.456 ( -1.135 0.000 5.234) 5.356 20.684 ( 3.262 0.000 -5.491) 6.386 21.102 ( 2.494 0.000 12.022) 12.278 21.276 ( -2.513 0.000 -4.306) 4.986 21.545 ( -5.739 0.000 1.027) 5.830 21.671 ( 3.251 0.000 -1.435) 3.554 21.924 ( -15.351 0.000 0.370) 15.355 22.065 ( 10.140 0.000 11.501) 15.333 22.595 ( -6.688 0.000 -7.925) 10.370 22.610 ( 10.438 0.000 3.799) 11.108 22.850 ( -7.783 0.000 -3.026) 8.350 22.961 ( 1.988 0.000 -2.386) 3.105 23.405 ( 0.521 0.000 1.170) 1.281 23.469 ( 4.207 0.000 -0.710) 4.267 23.997 ( 3.645 0.000 10.571) 11.182 24.356 ( -5.081 0.000 -19.049) 19.715 ======================= Grid point 131 (61/110) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -12.228 0.000 6.123) 13.676 0.773 ( -8.044 0.000 20.147) 21.694 1.111 ( 0.548 0.000 -1.198) 1.317 1.177 ( -0.607 0.000 -0.864) 1.056 1.355 ( -1.768 0.000 -1.681) 2.440 1.363 ( 5.873 0.000 -1.963) 6.192 1.479 ( -11.316 0.000 5.221) 12.463 1.492 ( 0.527 0.000 -0.466) 0.704 1.579 ( -6.996 0.000 -3.268) 7.721 1.670 ( 0.268 0.000 -6.221) 6.226 1.734 ( -1.992 0.000 -3.584) 4.100 1.945 ( -0.386 0.000 5.336) 5.350 1.966 ( 0.727 0.000 -1.670) 1.821 2.057 ( 1.503 0.000 -3.851) 4.134 2.113 ( 0.228 0.000 0.589) 0.631 2.164 ( 5.460 0.000 3.483) 6.476 2.255 ( -0.489 0.000 -9.062) 9.076 2.626 ( 0.609 0.000 -4.522) 4.563 2.723 ( -0.150 0.000 2.754) 2.758 2.837 ( -5.297 0.000 -2.597) 5.899 2.908 ( -4.768 0.000 7.907) 9.233 3.050 ( 2.373 0.000 3.352) 4.107 3.316 ( -5.843 0.000 -6.048) 8.410 3.499 ( 1.119 0.000 -4.110) 4.260 3.508 ( -2.891 0.000 5.323) 6.057 3.709 ( -0.383 0.000 0.298) 0.486 3.950 ( 4.224 0.000 5.186) 6.689 4.041 ( 0.738 0.000 -0.438) 0.858 4.243 ( -7.962 0.000 1.390) 8.082 4.354 ( -2.453 0.000 1.563) 2.909 4.367 ( 3.584 0.000 -6.706) 7.604 4.610 ( -2.704 0.000 -9.486) 9.864 5.006 ( -1.956 0.000 5.748) 6.071 5.096 ( 3.026 0.000 -3.358) 4.520 5.279 ( -8.483 0.000 6.150) 10.478 5.610 ( -1.647 0.000 4.596) 4.882 5.724 ( -4.514 0.000 -12.821) 13.593 5.756 ( -1.333 0.000 -7.997) 8.108 6.037 ( 8.887 0.000 4.044) 9.764 6.081 ( 10.327 0.000 2.489) 10.623 6.118 ( 8.571 0.000 3.472) 9.247 6.169 ( 9.080 0.000 6.300) 11.051 8.331 ( 5.121 0.000 -3.809) 6.382 8.333 ( 4.448 0.000 5.791) 7.302 9.093 ( -2.652 0.000 -4.998) 5.658 9.241 ( -3.889 0.000 -3.369) 5.145 9.336 ( -4.587 0.000 5.104) 6.862 9.383 ( 1.712 0.000 -1.071) 2.020 9.777 ( -2.672 0.000 6.393) 6.929 9.993 ( 1.280 0.000 3.466) 3.695 10.048 ( -4.319 0.000 -7.182) 8.381 10.699 ( 13.421 0.000 1.554) 13.510 10.958 ( -1.595 0.000 1.642) 2.289 11.013 ( -6.831 0.000 -7.965) 10.493 11.226 ( -11.345 0.000 -1.298) 11.419 11.536 ( -0.162 0.000 4.995) 4.997 11.650 ( -0.101 0.000 -5.884) 5.885 11.898 ( 7.348 0.000 3.910) 8.323 12.127 ( 7.394 0.000 17.879) 19.348 12.177 ( 1.244 0.000 -7.663) 7.764 12.611 ( -2.966 0.000 6.677) 7.307 12.782 ( 0.080 0.000 -4.721) 4.722 20.482 ( -0.632 0.000 4.680) 4.722 20.705 ( 4.414 0.000 -6.256) 7.657 21.166 ( -3.602 0.000 -7.123) 7.982 21.245 ( 2.840 0.000 8.091) 8.575 21.452 ( -5.643 0.000 1.711) 5.897 21.614 ( -14.514 0.000 1.279) 14.570 21.701 ( 1.051 0.000 -1.602) 1.916 22.288 ( -15.077 0.000 -19.775) 24.868 22.419 ( 12.404 0.000 11.328) 16.798 22.774 ( 3.117 0.000 12.904) 13.275 22.822 ( 7.852 0.000 1.872) 8.072 22.980 ( 0.895 0.000 0.236) 0.925 23.442 ( 1.611 0.000 1.383) 2.124 23.575 ( 6.502 0.000 -1.869) 6.765 24.004 ( -13.122 0.000 -20.204) 24.091 24.123 ( -0.507 0.000 11.466) 11.477 ======================= Grid point 132 (62/110) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -8.832 0.000 12.151) 15.022 0.699 ( -18.255 0.000 8.570) 20.166 1.100 ( -8.866 0.000 16.780) 18.978 1.103 ( -0.256 0.000 -4.359) 4.366 1.297 ( -1.089 0.000 -1.379) 1.758 1.298 ( -2.997 0.000 3.146) 4.346 1.476 ( -2.644 0.000 2.078) 3.363 1.485 ( 5.743 0.000 -0.151) 5.745 1.514 ( -2.777 0.000 -6.346) 6.927 1.607 ( 0.755 0.000 -7.948) 7.984 1.662 ( -2.566 0.000 -3.202) 4.103 1.959 ( -0.767 0.000 1.238) 1.457 1.982 ( 0.430 0.000 -1.613) 1.670 2.088 ( 4.003 0.000 -2.475) 4.706 2.102 ( -2.087 0.000 -5.549) 5.929 2.255 ( 8.219 0.000 3.234) 8.832 2.295 ( 3.429 0.000 4.571) 5.714 2.489 ( -5.217 0.000 -9.565) 10.895 2.690 ( -6.742 0.000 -0.647) 6.772 2.710 ( -4.181 0.000 4.592) 6.210 2.997 ( 4.088 0.000 9.617) 10.450 3.128 ( -4.311 0.000 -3.613) 5.625 3.202 ( 5.382 0.000 0.603) 5.416 3.487 ( 2.128 0.000 -5.350) 5.758 3.541 ( 0.489 0.000 6.361) 6.379 3.673 ( -2.386 0.000 -0.377) 2.416 3.994 ( -3.867 0.000 -0.901) 3.971 4.030 ( -9.914 0.000 3.624) 10.556 4.147 ( 5.935 0.000 3.411) 6.846 4.351 ( 0.292 0.000 1.878) 1.901 4.405 ( 0.844 0.000 -5.356) 5.422 4.588 ( 11.370 0.000 -0.512) 11.382 5.033 ( -1.081 0.000 7.379) 7.458 5.136 ( 3.192 0.000 -2.831) 4.267 5.167 ( -9.005 0.000 6.614) 11.173 5.488 ( -10.570 0.000 -1.569) 10.685 5.522 ( -2.712 0.000 -15.584) 15.818 5.610 ( -7.015 0.000 -12.339) 14.194 6.177 ( 4.866 0.000 -3.858) 6.210 6.187 ( 3.634 0.000 0.912) 3.747 6.327 ( 7.566 0.000 6.140) 9.743 6.501 ( 12.249 0.000 7.300) 14.260 8.428 ( 8.252 0.000 -4.789) 9.541 8.445 ( 0.665 0.000 5.328) 5.369 9.091 ( 4.471 0.000 1.957) 4.880 9.097 ( -3.115 0.000 -5.157) 6.025 9.244 ( -8.341 0.000 1.893) 8.553 9.458 ( 3.114 0.000 1.192) 3.334 9.746 ( -5.906 0.000 5.266) 7.912 9.881 ( -4.710 0.000 -4.761) 6.697 10.120 ( 6.655 0.000 1.307) 6.782 10.498 ( -19.597 0.000 -8.390) 21.317 10.941 ( -1.518 0.000 1.349) 2.030 10.969 ( 3.411 0.000 -0.424) 3.437 11.245 ( 4.592 0.000 3.176) 5.583 11.583 ( -1.269 0.000 -6.418) 6.542 11.627 ( 3.006 0.000 8.473) 8.990 12.042 ( 3.007 0.000 4.622) 5.514 12.152 ( 2.737 0.000 -5.518) 6.159 12.539 ( 18.575 0.000 11.872) 22.045 12.616 ( -2.344 0.000 6.589) 6.993 12.718 ( -0.904 0.000 -7.409) 7.463 20.513 ( -0.402 0.000 4.748) 4.765 20.753 ( 6.553 0.000 -6.221) 9.035 21.017 ( -3.686 0.000 -9.710) 10.386 21.300 ( -5.846 0.000 -3.057) 6.596 21.331 ( -6.638 0.000 2.661) 7.152 21.487 ( -3.598 0.000 5.803) 6.828 21.584 ( -19.855 0.000 -13.470) 23.993 21.746 ( -8.605 0.000 -4.346) 9.640 22.579 ( 3.843 0.000 1.646) 4.181 22.911 ( 1.795 0.000 -1.276) 2.202 23.005 ( 0.525 0.000 -0.178) 0.554 23.190 ( 5.105 0.000 -0.088) 5.106 23.547 ( 7.011 0.000 7.650) 10.377 23.658 ( 4.396 0.000 -2.734) 5.177 23.715 ( 11.089 0.000 4.801) 12.083 24.172 ( -4.964 0.000 10.511) 11.624 ======================= Grid point 133 (63/110) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 2.926 1.458 13.985) 14.362 0.652 ( 1.961 8.888 10.324) 13.764 1.049 ( -0.485 3.352 -9.021) 9.636 1.126 ( 3.407 -3.102 -6.501) 7.968 1.305 ( -3.759 3.201 5.886) 7.683 1.346 ( 2.273 -0.166 0.451) 2.323 1.422 ( -0.815 -0.832 0.453) 1.250 1.467 ( 1.871 1.929 2.446) 3.634 1.539 ( 0.192 0.800 2.197) 2.346 1.586 ( 1.333 -2.293 3.728) 4.575 1.620 ( -1.069 4.446 -3.543) 5.785 1.929 ( -4.318 -1.699 -3.336) 5.715 1.987 ( -3.623 6.035 -2.962) 7.637 2.013 ( 2.131 -3.475 -2.306) 4.683 2.190 ( 3.312 3.689 -4.381) 6.616 2.233 ( -5.019 -0.136 -3.125) 5.914 2.418 ( 3.829 -2.526 2.671) 5.308 2.469 ( 9.526 -3.547 5.715) 11.662 2.579 ( -2.655 0.604 -0.536) 2.775 2.686 ( -3.214 0.234 0.326) 3.238 2.976 ( -5.836 -2.064 3.567) 7.145 3.102 ( 0.262 -1.936 0.548) 2.029 3.275 ( 0.635 -3.209 -0.182) 3.276 3.444 ( 1.755 -0.969 -7.534) 7.796 3.610 ( -0.789 0.264 4.543) 4.619 3.653 ( 2.420 -3.898 4.772) 6.620 3.790 ( -6.701 -4.613 3.280) 8.772 3.933 ( 3.882 -3.602 -3.148) 6.161 4.218 ( 2.168 -5.053 2.629) 6.095 4.258 ( 2.283 -8.786 1.771) 9.249 4.530 ( 11.132 1.938 4.404) 12.128 4.831 ( 11.610 -2.559 1.358) 11.966 4.981 ( -8.234 -4.891 -1.187) 9.650 5.022 ( -9.501 -1.113 -4.688) 10.653 5.131 ( -4.362 0.458 0.336) 4.399 5.211 ( 0.792 -2.943 -0.437) 3.079 5.370 ( -2.059 4.095 -3.712) 5.898 5.563 ( -1.999 8.419 -8.329) 12.010 6.141 ( -4.114 -4.373 0.029) 6.004 6.207 ( 3.092 -2.217 -2.397) 4.497 6.470 ( 2.474 -0.767 5.524) 6.101 6.613 ( -0.531 -2.978 -0.143) 3.028 8.474 ( -5.628 4.587 1.126) 7.347 8.549 ( 6.103 0.618 -1.852) 6.408 9.022 ( -7.571 -1.694 1.341) 7.873 9.053 ( 3.766 -3.858 -0.573) 5.422 9.268 ( 4.926 1.023 3.655) 6.218 9.501 ( -1.693 2.299 -5.695) 6.371 9.703 ( -0.640 0.652 5.519) 5.594 9.817 ( 0.461 0.940 -2.350) 2.572 10.235 ( -10.807 5.822 3.730) 12.829 10.296 ( 5.315 3.801 3.090) 7.228 10.972 ( 0.165 3.719 0.178) 3.726 11.017 ( 1.923 1.152 -1.670) 2.796 11.313 ( 3.685 -1.654 0.347) 4.054 11.465 ( 0.324 -2.067 -5.944) 6.302 11.788 ( 1.684 2.728 7.463) 8.122 12.021 ( -2.865 -3.957 0.684) 4.933 12.249 ( 2.480 3.231 -0.127) 4.075 12.482 ( -2.316 -6.964 0.908) 7.395 12.663 ( -3.929 0.255 0.428) 3.960 12.880 ( 5.162 3.153 -5.491) 8.170 20.544 ( -0.083 -1.098 5.803) 5.906 20.630 ( -17.450 -6.337 8.038) 20.231 20.822 ( -1.476 -0.042 -6.605) 6.768 20.976 ( 10.070 0.463 -9.327) 13.733 21.346 ( -2.652 3.267 1.371) 4.426 21.414 ( 1.174 -0.962 0.003) 1.518 21.581 ( -1.251 4.875 0.768) 5.091 21.693 ( -0.122 1.519 -2.774) 3.165 22.664 ( 3.280 -1.253 4.598) 5.786 22.879 ( -3.541 -4.148 -2.141) 5.859 22.921 ( 1.518 -0.234 1.882) 2.429 23.108 ( -5.696 1.812 -5.766) 8.305 23.585 ( -1.729 1.631 3.388) 4.139 23.699 ( 2.698 -0.656 -2.144) 3.508 24.089 ( -10.404 -0.257 6.671) 12.362 24.312 ( 24.119 -3.920 -2.665) 24.580 ======================= Grid point 134 (64/110) ======================= q-point: ( 0.14 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 6.868 0.579 11.029) 13.006 0.890 ( 10.795 3.963 2.364) 11.740 1.025 ( 6.811 2.192 -7.831) 10.608 1.124 ( 3.818 -0.901 -6.572) 7.653 1.289 ( -0.596 1.030 -0.420) 1.262 1.351 ( -1.628 -3.884 -0.863) 4.299 1.417 ( -4.569 2.364 0.909) 5.223 1.496 ( 3.901 -1.584 -2.778) 5.044 1.547 ( -1.050 2.510 0.549) 2.776 1.637 ( 6.466 3.709 -0.875) 7.506 1.770 ( 6.041 0.376 13.243) 14.560 1.813 ( -2.726 -2.937 -4.172) 5.784 1.929 ( -0.455 3.415 0.642) 3.505 2.045 ( 0.799 -0.805 -1.209) 1.658 2.093 ( -3.395 2.384 -2.190) 4.691 2.245 ( 4.413 4.228 -3.129) 6.866 2.461 ( -4.072 -0.715 -2.870) 5.033 2.470 ( -2.140 -2.756 -1.679) 3.872 2.647 ( 1.956 -2.143 -3.029) 4.195 2.751 ( 10.571 -0.744 5.827) 12.094 2.921 ( -5.158 1.026 7.740) 9.358 3.100 ( 0.315 -3.257 -0.745) 3.356 3.237 ( -2.452 -6.171 -1.585) 6.827 3.420 ( 1.493 1.440 -4.468) 4.926 3.638 ( -0.354 0.253 3.423) 3.450 3.693 ( -2.534 -0.169 0.269) 2.554 3.813 ( 6.150 -6.495 4.412) 9.974 4.009 ( 6.760 -8.532 -2.641) 11.201 4.278 ( 3.761 -3.744 1.354) 5.477 4.374 ( 7.912 -8.146 -2.251) 11.577 4.572 ( -11.110 -3.547 -6.070) 13.147 4.687 ( -9.017 3.268 -10.435) 14.173 4.952 ( 5.269 2.118 4.895) 7.498 5.091 ( 4.847 -1.126 7.667) 9.140 5.125 ( 4.691 -1.954 1.017) 5.182 5.221 ( -0.156 -2.381 -0.229) 2.397 5.360 ( 1.124 4.679 1.062) 4.928 5.527 ( 3.380 6.700 -3.643) 8.342 6.018 ( -8.370 -4.763 1.029) 9.685 6.213 ( -1.120 -1.184 -1.412) 2.157 6.457 ( -9.063 -2.695 0.586) 9.473 6.543 ( -3.436 0.358 1.417) 3.734 8.335 ( -7.259 5.799 0.783) 9.324 8.692 ( 7.156 0.990 -2.538) 7.657 8.826 ( -9.267 -1.153 4.059) 10.183 9.223 ( 9.160 -3.543 0.453) 9.831 9.353 ( -4.073 1.319 -3.085) 5.277 9.385 ( 2.409 1.041 -0.220) 2.634 9.772 ( 2.192 2.227 1.926) 3.671 9.857 ( 4.361 -0.509 -0.293) 4.400 10.110 ( -6.169 5.584 3.459) 9.012 10.401 ( 2.396 2.929 3.588) 5.215 10.967 ( -0.151 2.438 -0.139) 2.447 11.054 ( 3.064 1.500 -1.644) 3.787 11.366 ( 0.407 -2.459 -0.927) 2.659 11.443 ( 4.593 0.213 -5.693) 7.318 11.845 ( -3.677 0.974 6.547) 7.572 11.943 ( -2.395 -1.248 -3.002) 4.038 12.292 ( -0.695 -4.134 3.091) 5.208 12.441 ( 0.053 -3.253 -3.293) 4.629 12.578 ( -6.264 0.898 3.114) 7.052 12.852 ( -2.040 4.511 -3.126) 5.855 20.451 ( -8.117 -0.691 8.234) 11.583 20.619 ( 1.866 -2.177 7.491) 8.021 20.758 ( 0.498 1.462 -6.179) 6.369 21.166 ( 12.953 -0.842 -5.273) 14.011 21.363 ( 2.575 0.745 3.054) 4.064 21.485 ( 5.551 0.469 -1.552) 5.783 21.602 ( 2.686 0.080 2.797) 3.879 21.718 ( 4.489 3.796 -1.504) 6.068 22.691 ( -6.159 -2.209 -2.194) 6.901 22.793 ( 0.916 1.816 2.454) 3.187 22.989 ( -0.531 -2.641 -0.135) 2.697 23.044 ( 3.700 0.185 2.775) 4.629 23.550 ( -4.256 0.691 2.045) 4.772 23.718 ( 0.920 -0.431 -2.458) 2.660 23.869 ( -15.257 2.469 1.203) 15.503 24.569 ( 9.790 -6.378 -9.550) 15.090 ======================= Grid point 135 (65/110) ======================= q-point: ( 0.29 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 3.757 -0.540 -6.362) 7.408 1.047 ( 4.255 -0.252 1.968) 4.695 1.114 ( 3.541 1.220 -2.266) 4.378 1.191 ( 2.513 -1.069 1.660) 3.196 1.283 ( -1.773 1.539 3.646) 4.336 1.311 ( 2.372 0.607 -2.213) 3.300 1.363 ( 0.679 -0.091 3.048) 3.124 1.478 ( -3.545 3.875 -1.840) 5.564 1.555 ( 2.423 -4.179 -1.133) 4.962 1.757 ( 5.617 3.290 -2.719) 7.055 1.766 ( 2.036 -2.651 -4.524) 5.625 1.900 ( -3.726 -4.767 0.651) 6.085 1.971 ( -0.784 4.951 2.153) 5.455 2.005 ( 6.231 2.034 5.410) 8.499 2.147 ( 0.492 0.314 4.264) 4.304 2.303 ( 2.466 3.704 -1.471) 4.687 2.346 ( -1.899 -2.961 -7.962) 8.705 2.399 ( 1.618 0.558 -4.145) 4.484 2.670 ( 1.322 -1.977 -0.827) 2.518 2.876 ( -0.979 4.886 1.777) 5.291 2.992 ( 3.993 -1.222 5.499) 6.905 3.097 ( -0.395 -1.312 1.129) 1.776 3.198 ( 1.180 -4.221 -1.218) 4.549 3.429 ( 2.136 -1.569 -1.899) 3.260 3.647 ( -0.988 0.401 1.969) 2.239 3.661 ( -1.334 1.813 0.267) 2.266 3.945 ( 5.065 -9.789 0.150) 11.023 4.151 ( 8.946 -10.976 -2.073) 14.311 4.293 ( -8.243 -1.795 -9.396) 12.628 4.375 ( 2.125 -3.563 -2.849) 5.033 4.417 ( -5.141 0.128 -2.352) 5.655 4.512 ( 6.705 -2.714 -6.387) 9.650 5.028 ( 2.159 4.248 0.587) 4.801 5.190 ( -2.820 1.152 2.956) 4.245 5.232 ( 2.975 -2.925 7.961) 8.988 5.282 ( 4.178 4.793 6.816) 9.321 5.460 ( 6.315 1.514 0.401) 6.507 5.590 ( 3.747 3.012 2.401) 5.373 5.870 ( -7.951 -4.126 2.881) 9.410 6.133 ( -5.775 -1.748 -1.494) 6.216 6.238 ( -11.331 -1.489 -0.904) 11.464 6.464 ( -5.670 2.709 -1.005) 6.364 8.238 ( -3.973 6.446 2.090) 7.855 8.598 ( -7.302 5.869 -2.888) 9.804 8.908 ( 5.745 -6.318 5.542) 10.181 9.234 ( -0.730 3.987 -5.189) 6.584 9.381 ( 6.559 -3.690 -0.887) 7.578 9.456 ( 2.343 0.720 -0.360) 2.478 9.789 ( -2.393 2.424 2.989) 4.532 9.948 ( 4.717 -1.107 -1.328) 5.024 10.062 ( -0.401 3.925 1.793) 4.334 10.444 ( -2.309 2.015 5.374) 6.186 10.973 ( 0.836 -0.549 0.205) 1.021 11.098 ( 2.745 2.273 -1.580) 3.899 11.331 ( -0.255 -4.169 -3.907) 5.719 11.525 ( 6.276 1.446 -2.528) 6.919 11.749 ( -6.104 -5.737 -1.899) 8.589 11.916 ( -2.106 4.493 3.780) 6.238 12.220 ( -4.671 -3.692 -7.185) 9.332 12.433 ( -4.741 -4.243 3.297) 7.166 12.515 ( 0.257 4.291 2.465) 4.955 12.795 ( -1.349 4.641 -0.940) 4.924 20.421 ( -2.846 0.173 6.771) 7.347 20.710 ( 1.136 0.008 -1.689) 2.036 20.755 ( 3.020 -1.382 5.098) 6.084 21.275 ( 3.465 -4.630 -4.164) 7.126 21.471 ( 3.970 -1.174 2.041) 4.615 21.616 ( 8.149 2.042 2.155) 8.673 21.771 ( 9.346 4.932 2.264) 10.807 21.813 ( 7.130 2.281 1.940) 7.733 22.538 ( -5.400 -0.001 -2.336) 5.883 22.831 ( -1.332 2.424 2.896) 4.004 22.974 ( 0.148 -4.036 -2.591) 4.798 23.136 ( -0.637 0.518 2.778) 2.897 23.469 ( -4.849 -0.574 0.858) 4.957 23.600 ( -9.111 4.202 -1.706) 10.178 23.704 ( 0.074 -0.328 -0.694) 0.772 24.584 ( 2.660 -6.056 -11.773) 13.504 ======================= Grid point 136 (66/110) ======================= q-point: (-0.57 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -4.526 -0.344 -0.432) 4.559 1.053 ( -3.583 5.496 0.961) 6.631 1.106 ( -1.864 -2.992 -0.974) 3.657 1.208 ( 3.451 -2.026 -3.981) 5.645 1.275 ( -3.680 0.366 4.523) 5.843 1.404 ( 0.959 1.585 -0.724) 1.989 1.416 ( 6.977 3.393 -2.440) 8.133 1.447 ( 0.450 2.915 0.795) 3.055 1.614 ( 4.595 -3.582 0.726) 5.871 1.777 ( 0.666 -1.538 -0.120) 1.680 1.793 ( 1.342 0.711 -2.329) 2.780 1.881 ( 0.660 -1.736 2.574) 3.174 1.958 ( -1.986 1.248 0.630) 2.429 2.080 ( -2.810 -3.234 0.994) 4.398 2.168 ( 0.381 0.559 -4.023) 4.079 2.265 ( 5.334 -1.585 -7.709) 9.507 2.371 ( 4.597 2.135 -0.070) 5.069 2.416 ( -2.236 3.451 0.513) 4.144 2.691 ( 1.020 -2.401 1.643) 3.083 2.867 ( -1.024 4.849 0.905) 5.038 2.995 ( -2.783 -1.219 0.517) 3.082 3.151 ( 1.989 1.020 0.650) 2.327 3.269 ( 5.201 -5.001 2.537) 7.648 3.461 ( 2.107 -0.988 -0.649) 2.416 3.629 ( -3.530 1.170 2.848) 4.684 3.650 ( -0.063 0.175 0.863) 0.883 3.976 ( -0.468 -5.829 -6.470) 8.721 4.089 ( -4.365 -3.545 -9.906) 11.391 4.227 ( -1.557 -0.279 -2.192) 2.703 4.267 ( 3.204 -13.393 -2.433) 13.984 4.474 ( 1.012 -3.142 2.180) 3.956 4.601 ( 7.322 -2.600 -7.114) 10.535 5.074 ( -0.545 6.385 2.227) 6.784 5.191 ( 1.763 5.765 2.517) 6.533 5.336 ( 1.087 -2.943 8.412) 8.978 5.409 ( 0.999 4.015 5.317) 6.738 5.545 ( 3.093 1.474 5.788) 6.727 5.696 ( 2.602 -0.579 3.661) 4.528 5.806 ( -0.176 -0.384 4.188) 4.209 5.976 ( -8.948 -3.403 -1.143) 9.641 6.065 ( -3.614 -1.199 -3.507) 5.177 6.317 ( -5.811 5.272 -6.110) 9.945 8.223 ( -0.019 7.183 3.395) 7.945 8.450 ( -5.073 5.701 -3.112) 8.242 9.046 ( 4.075 -5.500 4.986) 8.468 9.241 ( 3.198 2.991 -1.134) 4.523 9.429 ( -1.165 2.197 -6.890) 7.325 9.461 ( 2.202 -4.034 -2.300) 5.139 9.762 ( -3.975 1.611 6.779) 8.022 9.978 ( 1.010 -0.764 -3.290) 3.525 10.155 ( 6.973 2.469 3.480) 8.175 10.390 ( -7.459 1.700 3.724) 8.508 10.996 ( 0.396 0.072 1.363) 1.422 11.120 ( 0.843 2.139 -1.200) 2.593 11.330 ( 2.814 -8.478 -1.018) 8.991 11.620 ( 1.737 -7.135 -8.061) 10.904 11.625 ( 0.564 2.464 0.885) 2.678 11.901 ( -4.790 0.497 3.172) 5.766 12.034 ( -5.033 5.096 -6.795) 9.873 12.334 ( -3.752 -1.605 -3.032) 5.084 12.584 ( 0.742 2.908 6.297) 6.976 12.788 ( 0.919 2.610 -0.496) 2.811 20.438 ( -1.536 0.435 6.018) 6.226 20.699 ( 1.897 1.632 -5.176) 5.748 20.879 ( 1.758 -5.581 9.710) 11.337 21.269 ( 0.367 -5.985 -4.672) 7.602 21.554 ( 3.255 0.112 2.040) 3.843 21.774 ( -1.010 8.554 -1.528) 8.748 21.833 ( 7.921 0.673 4.459) 9.115 22.078 ( 5.475 2.737 8.740) 10.671 22.481 ( 1.661 2.518 -0.069) 3.017 22.767 ( -5.800 1.822 -1.886) 6.365 22.932 ( -0.688 -3.529 -4.422) 5.699 23.029 ( -6.343 1.175 -3.522) 7.350 23.415 ( -1.936 0.224 1.546) 2.487 23.501 ( -1.978 3.980 -1.475) 4.683 23.782 ( 5.258 -2.935 6.855) 9.124 24.487 ( -0.835 -6.110 -14.308) 15.580 ======================= Grid point 137 (67/110) ======================= q-point: (-0.43 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -10.216 1.694 9.557) 14.092 0.943 ( -9.117 3.466 2.754) 10.135 1.082 ( 0.381 -1.789 -0.769) 1.984 1.240 ( 1.030 3.455 -2.640) 4.469 1.257 ( 2.087 -2.344 -2.244) 3.858 1.412 ( -0.422 1.449 0.242) 1.528 1.448 ( 2.093 -0.256 -0.058) 2.109 1.515 ( 4.183 4.770 -4.468) 7.759 1.701 ( 1.551 0.088 -0.738) 1.720 1.738 ( -0.709 -0.964 -1.764) 2.132 1.812 ( -7.364 -4.460 -1.110) 8.680 1.865 ( 2.849 -3.033 4.886) 6.418 1.975 ( 0.572 0.672 1.016) 1.346 2.050 ( 0.569 -0.783 -1.941) 2.169 2.105 ( 0.558 -0.608 -4.142) 4.223 2.271 ( -1.018 2.860 -6.527) 7.198 2.311 ( -4.146 3.497 -1.209) 5.557 2.510 ( 6.731 0.405 2.295) 7.123 2.699 ( -3.186 -2.896 2.808) 5.140 2.882 ( 3.363 1.490 -2.840) 4.648 2.957 ( -3.674 0.317 5.075) 6.273 3.128 ( -3.033 2.564 -1.446) 4.227 3.406 ( 2.775 -3.185 4.503) 6.175 3.474 ( -0.963 0.182 -2.121) 2.337 3.580 ( -3.753 2.516 3.924) 5.985 3.638 ( -2.262 -5.318 2.197) 6.182 3.904 ( 1.572 -1.288 -4.961) 5.361 3.948 ( -0.665 -5.456 -9.993) 11.404 4.200 ( -2.581 -8.586 0.856) 9.006 4.308 ( 4.304 -5.998 -3.604) 8.215 4.451 ( -4.333 -1.057 -0.045) 4.461 4.643 ( 2.792 -3.420 -7.381) 8.600 5.040 ( -5.577 3.353 6.281) 9.044 5.221 ( -1.115 7.637 -1.793) 7.924 5.338 ( -7.676 -1.752 5.967) 9.879 5.498 ( 6.023 0.527 6.057) 8.558 5.736 ( 3.387 -4.906 3.642) 6.986 5.774 ( 3.712 -2.052 0.019) 4.241 5.816 ( -0.893 1.152 5.183) 5.384 5.927 ( 6.729 2.171 5.182) 8.766 6.034 ( 2.819 -1.138 -4.226) 5.206 6.170 ( -1.353 7.142 -8.436) 11.136 8.293 ( 3.515 7.721 4.308) 9.515 8.361 ( -0.982 4.900 -3.089) 5.875 9.153 ( 1.708 -2.483 3.380) 4.528 9.271 ( 0.003 0.944 -3.169) 3.307 9.323 ( -2.285 -0.627 -2.203) 3.235 9.434 ( -1.751 -2.493 -4.972) 5.831 9.763 ( -2.747 0.446 7.323) 7.834 9.967 ( 0.919 0.345 -1.193) 1.545 10.223 ( -8.465 0.693 -0.506) 8.508 10.381 ( 9.839 0.545 5.233) 11.157 11.007 ( -1.032 2.603 2.865) 4.006 11.122 ( 0.493 3.113 -1.025) 3.314 11.367 ( -1.703 -10.530 -1.099) 10.723 11.497 ( -3.317 -6.349 -7.565) 10.418 11.719 ( -2.500 -0.979 -1.852) 3.262 11.748 ( 2.954 1.375 -1.299) 3.508 12.043 ( 2.392 9.262 7.685) 12.270 12.258 ( 0.152 1.194 -6.247) 6.362 12.625 ( -2.120 2.602 5.856) 6.750 12.803 ( 1.192 0.671 -1.938) 2.372 20.461 ( -1.249 0.540 5.458) 5.625 20.698 ( 2.886 1.045 -5.601) 6.387 20.980 ( -0.398 -9.133 10.054) 13.589 21.214 ( -1.230 -5.906 -6.028) 8.528 21.626 ( 0.821 4.409 3.303) 5.569 21.670 ( -4.491 2.990 -2.891) 6.121 21.995 ( -11.195 5.615 1.105) 12.573 22.113 ( 8.673 3.140 10.832) 14.228 22.588 ( -8.352 0.106 -6.167) 10.383 22.642 ( 10.180 2.671 2.870) 10.909 22.839 ( -7.585 -0.754 -2.504) 8.024 22.967 ( 4.146 0.317 -1.946) 4.591 23.424 ( 0.910 1.792 1.524) 2.523 23.493 ( 3.386 2.342 -1.411) 4.352 23.954 ( 3.522 -4.053 10.191) 11.519 24.293 ( -5.258 -5.957 -17.702) 19.404 ======================= Grid point 138 (68/110) ======================= q-point: (-0.29 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -13.423 0.348 10.456) 17.019 0.830 ( -6.351 2.922 11.429) 13.398 1.095 ( 1.271 -0.434 -0.657) 1.495 1.203 ( -2.726 2.451 -1.956) 4.155 1.302 ( 4.182 -1.965 -2.975) 5.496 1.384 ( -2.643 0.471 0.784) 2.797 1.470 ( -3.991 -1.047 2.730) 4.948 1.508 ( -1.957 1.684 -1.127) 2.818 1.586 ( -8.513 0.682 -3.712) 9.312 1.656 ( 1.055 -1.530 -7.702) 7.924 1.755 ( -1.110 1.583 -1.152) 2.250 1.943 ( 0.204 -2.064 -0.259) 2.091 1.971 ( 2.989 -0.053 2.303) 3.773 2.097 ( 1.893 0.213 -0.774) 2.057 2.123 ( 1.986 -1.845 1.044) 2.905 2.183 ( -0.828 5.810 1.664) 6.100 2.289 ( 3.152 5.145 -7.623) 9.722 2.587 ( -1.128 -1.946 -3.867) 4.473 2.650 ( -2.465 -4.042 0.937) 4.826 2.866 ( -4.123 -2.172 4.652) 6.585 2.949 ( -2.154 5.939 1.755) 6.557 3.099 ( 1.745 2.788 2.971) 4.432 3.297 ( -6.946 -2.836 -8.043) 10.999 3.463 ( -1.508 -1.482 0.820) 2.268 3.554 ( -1.571 1.755 3.702) 4.388 3.670 ( 0.066 -2.852 4.259) 5.126 3.903 ( 1.625 -12.082 -3.022) 12.560 3.952 ( 3.810 1.032 2.243) 4.540 4.126 ( -7.144 -8.629 0.474) 11.213 4.339 ( -0.687 -1.895 -3.598) 4.124 4.386 ( 4.108 0.864 -1.787) 4.562 4.547 ( -6.258 -4.546 -5.600) 9.549 5.020 ( -1.214 0.297 5.653) 5.790 5.153 ( -2.339 4.181 -2.217) 5.279 5.243 ( -7.868 -2.421 6.018) 10.197 5.570 ( -7.399 -6.911 -6.157) 11.850 5.630 ( 0.825 -0.026 2.494) 2.627 5.839 ( 0.763 2.415 -7.057) 7.498 6.016 ( 8.967 -3.697 -1.010) 9.752 6.081 ( 5.486 1.233 -0.228) 5.628 6.126 ( 8.545 1.331 3.588) 9.362 6.225 ( 9.266 4.417 6.772) 12.298 8.349 ( 3.013 2.220 -2.427) 4.461 8.434 ( 5.679 9.230 4.297) 11.658 9.101 ( -2.933 0.070 -4.420) 5.305 9.205 ( -5.313 -2.968 -3.894) 7.225 9.294 ( -4.543 -3.852 4.087) 7.224 9.401 ( 3.753 1.734 -0.828) 4.216 9.770 ( -3.142 -0.695 6.305) 7.079 10.013 ( 3.323 -0.714 -2.601) 4.280 10.050 ( -6.082 2.892 0.009) 6.735 10.606 ( 5.744 -5.055 3.830) 8.557 10.993 ( -4.622 0.807 2.199) 5.182 11.087 ( -3.749 5.955 -8.460) 11.004 11.190 ( -3.011 -1.203 -0.684) 3.314 11.470 ( 1.030 -5.008 0.905) 5.193 11.659 ( -0.391 -0.931 -0.097) 1.014 11.893 ( 5.619 -0.723 4.698) 7.359 12.213 ( 4.438 4.969 2.121) 6.992 12.245 ( 6.432 6.923 3.515) 10.082 12.613 ( -2.509 1.193 2.950) 4.053 12.790 ( -0.080 0.363 -3.308) 3.329 20.485 ( -0.988 0.274 4.891) 4.998 20.711 ( 3.654 0.255 -5.701) 6.776 21.034 ( -2.784 -13.294 8.809) 16.189 21.118 ( -2.399 -4.596 -7.871) 9.425 21.537 ( -6.862 2.239 -1.216) 7.320 21.636 ( -5.623 4.850 3.369) 8.154 21.768 ( -5.761 4.426 -2.225) 7.598 22.258 ( -13.023 -2.518 -16.027) 20.804 22.441 ( 7.301 1.869 9.613) 12.215 22.708 ( -2.144 -3.747 6.809) 8.062 22.878 ( 8.487 3.701 1.843) 9.441 23.084 ( 8.887 7.181 3.371) 11.913 23.461 ( 1.735 2.036 1.132) 2.905 23.583 ( 5.789 0.731 -1.604) 6.051 23.965 ( -10.974 -3.492 -16.514) 20.133 24.088 ( -0.080 -3.438 9.999) 10.573 ======================= Grid point 139 (69/110) ======================= q-point: (-0.14 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -8.995 -0.555 12.599) 15.491 0.750 ( -14.224 4.585 6.949) 16.481 1.089 ( -3.000 0.678 5.041) 5.906 1.135 ( 0.270 1.048 -2.900) 3.095 1.290 ( -2.847 2.439 2.951) 4.771 1.368 ( -4.189 3.055 3.853) 6.460 1.410 ( 2.353 -4.451 -0.914) 5.117 1.466 ( -0.897 -0.462 -2.294) 2.506 1.511 ( -0.057 -0.051 -0.241) 0.253 1.615 ( 0.083 -1.350 -5.264) 5.435 1.691 ( -2.311 4.419 -4.206) 6.524 1.973 ( 0.550 -0.632 1.240) 1.496 2.023 ( 0.880 -0.751 -2.274) 2.552 2.060 ( -1.419 0.550 -2.916) 3.289 2.169 ( 1.167 5.878 -1.615) 6.207 2.243 ( 5.549 -0.455 0.527) 5.592 2.319 ( 3.669 1.587 1.217) 4.179 2.441 ( -6.051 -2.735 -7.888) 10.311 2.598 ( -2.805 -4.484 3.354) 6.263 2.786 ( -6.781 2.689 1.348) 7.418 3.022 ( 3.966 2.282 7.779) 9.025 3.092 ( -6.037 -4.040 -3.268) 7.966 3.213 ( 4.459 0.067 -0.479) 4.485 3.457 ( 1.375 -0.410 -1.291) 1.930 3.575 ( -0.073 -0.381 3.795) 3.815 3.660 ( -2.975 0.692 1.401) 3.361 3.886 ( -5.706 -13.551 2.923) 14.991 3.955 ( -4.602 -4.273 -3.077) 6.993 4.095 ( 6.137 -2.359 6.047) 8.933 4.299 ( -4.712 -4.409 -0.392) 6.464 4.371 ( 0.635 -1.649 -1.148) 2.108 4.574 ( 12.061 -1.387 0.214) 12.143 5.073 ( -0.609 0.777 5.615) 5.701 5.117 ( 0.545 -0.655 -2.582) 2.719 5.139 ( -6.851 -1.654 5.130) 8.717 5.368 ( -8.458 -5.517 -4.335) 10.989 5.550 ( -6.674 -0.256 -8.424) 10.751 5.712 ( -3.839 6.511 -10.663) 13.070 6.136 ( 5.938 -4.070 -3.718) 8.102 6.167 ( 2.375 -2.403 0.365) 3.398 6.322 ( 7.426 0.273 5.192) 9.066 6.497 ( 9.075 -0.211 6.711) 11.289 8.415 ( 5.690 -0.311 -2.121) 6.080 8.549 ( 1.146 9.147 3.180) 9.752 9.011 ( -2.045 -6.529 -4.739) 8.323 9.139 ( 2.419 3.032 1.858) 4.301 9.206 ( -6.976 -3.094 1.923) 7.870 9.486 ( 4.139 1.966 -0.262) 4.590 9.738 ( -5.498 -0.810 5.276) 7.664 9.888 ( -3.911 0.240 -5.427) 6.694 10.152 ( 6.117 3.599 3.488) 7.908 10.487 ( -15.111 0.401 -1.704) 15.212 10.942 ( 1.510 0.538 1.112) 1.951 11.021 ( -0.268 4.317 -1.969) 4.752 11.237 ( 3.825 0.019 0.710) 3.890 11.494 ( 0.781 -4.470 -1.585) 4.806 11.691 ( 1.986 1.944 4.361) 5.171 12.008 ( 1.109 -3.149 5.927) 6.803 12.223 ( 3.457 5.805 -6.720) 9.529 12.486 ( -0.662 -3.000 11.279) 11.690 12.663 ( 9.999 1.927 -2.276) 10.434 12.758 ( 1.775 3.216 -2.667) 4.540 20.510 ( -0.829 -0.345 4.819) 4.902 20.740 ( 3.098 -1.822 -3.426) 4.965 20.976 ( -7.004 -6.083 -3.041) 9.762 21.011 ( -3.909 -11.036 -2.637) 12.001 21.398 ( -6.026 1.069 2.901) 6.773 21.543 ( -5.632 1.109 -3.628) 6.791 21.665 ( -7.264 5.536 -3.490) 9.777 21.801 ( -11.557 5.276 -9.699) 15.983 22.566 ( 3.577 -1.194 1.734) 4.151 22.819 ( 1.594 -7.656 8.682) 11.684 22.973 ( 1.294 1.716 -3.185) 3.843 23.275 ( -0.581 2.864 -6.548) 7.170 23.552 ( 4.299 0.440 2.369) 4.929 23.691 ( -1.710 -0.151 -2.008) 2.642 23.767 ( 19.850 6.577 5.714) 21.678 24.148 ( -3.901 -2.193 10.150) 11.093 ======================= Grid point 140 (70/110) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 5.098 8.096 8.104) 12.539 0.871 ( 2.118 10.987 5.327) 12.393 1.080 ( 2.708 1.656 -5.602) 6.439 1.147 ( -1.104 2.805 -7.387) 7.978 1.286 ( -0.823 -3.632 -1.988) 4.221 1.364 ( -0.396 -0.151 -3.292) 3.319 1.425 ( 2.878 1.993 0.225) 3.508 1.526 ( 1.516 0.014 2.092) 2.584 1.542 ( -1.556 3.896 3.271) 5.320 1.587 ( 3.406 1.495 3.631) 5.198 1.707 ( -3.018 3.352 -2.481) 5.148 1.863 ( -3.251 -3.747 -2.044) 5.365 1.932 ( 1.037 -3.451 0.137) 3.606 2.071 ( -3.490 0.950 -3.527) 5.052 2.244 ( -1.319 2.835 1.953) 3.687 2.308 ( 5.515 1.845 2.624) 6.381 2.338 ( 1.536 -2.726 1.525) 3.481 2.438 ( 4.085 2.429 -1.880) 5.111 2.576 ( 0.470 -0.836 2.273) 2.467 2.706 ( -4.746 1.022 -3.238) 5.836 2.909 ( -2.118 -3.883 3.565) 5.680 3.015 ( -1.802 -6.792 -3.373) 7.795 3.210 ( -4.038 -3.468 3.643) 6.450 3.429 ( -0.791 -2.048 -2.689) 3.471 3.492 ( 2.149 -6.509 1.040) 6.933 3.615 ( 2.066 -10.658 -2.163) 11.070 3.684 ( -2.761 3.692 4.016) 6.114 3.893 ( 4.567 -0.411 -3.886) 6.011 4.076 ( -3.604 -6.717 4.285) 8.745 4.142 ( 4.246 -5.093 1.118) 6.725 4.569 ( 11.873 2.235 5.163) 13.138 4.790 ( 11.141 -1.471 3.154) 11.672 4.873 ( -10.106 -4.818 -3.439) 11.712 5.010 ( -7.239 0.055 -4.716) 8.640 5.112 ( -5.356 -1.470 1.211) 5.685 5.162 ( 0.985 -2.008 -0.301) 2.257 5.474 ( -0.599 5.332 1.554) 5.587 5.714 ( -1.572 6.187 -7.272) 9.677 6.029 ( -4.756 -6.419 -0.936) 8.044 6.113 ( 5.178 -6.944 -3.262) 9.256 6.456 ( 1.545 -0.486 4.478) 4.762 6.556 ( -1.479 -2.638 0.913) 3.159 8.487 ( 3.246 -1.329 1.967) 4.021 8.637 ( -5.280 4.185 -4.564) 8.138 8.939 ( 7.030 -3.179 3.058) 8.300 9.034 ( -6.595 0.668 -0.261) 6.634 9.290 ( 2.618 1.084 2.501) 3.779 9.510 ( -0.299 -1.631 -6.626) 6.830 9.730 ( 1.354 1.978 4.756) 5.326 9.835 ( 0.584 0.599 -1.980) 2.149 10.398 ( -9.008 9.773 5.491) 14.380 10.425 ( 2.604 9.163 5.511) 11.005 11.032 ( 3.900 2.036 -0.401) 4.418 11.072 ( -1.598 3.990 -2.149) 4.805 11.288 ( 2.421 -0.892 0.456) 2.620 11.451 ( 2.606 0.627 -5.475) 6.096 11.824 ( 5.407 -0.473 5.075) 7.430 11.901 ( -6.236 -6.386 4.695) 10.085 12.337 ( -1.711 4.424 -4.916) 6.831 12.373 ( -2.827 -3.641 1.208) 4.765 12.661 ( -2.790 0.106 3.365) 4.373 12.905 ( 4.977 -0.709 -5.556) 7.492 20.513 ( -2.500 -1.985 6.356) 7.113 20.537 ( -9.633 -3.020 8.220) 13.019 20.817 ( 0.774 -0.187 -6.756) 6.802 20.951 ( 11.905 -2.398 -9.522) 15.432 21.358 ( -1.311 -0.625 2.897) 3.241 21.421 ( -1.512 -0.151 -2.031) 2.537 21.680 ( -3.899 5.288 -0.383) 6.581 21.771 ( 0.409 5.368 -5.313) 7.564 22.628 ( 3.007 -2.244 4.785) 6.081 22.766 ( 0.798 -5.797 3.646) 6.895 22.958 ( -1.954 2.542 -2.643) 4.155 23.119 ( -5.757 -0.494 -7.097) 9.152 23.622 ( -0.241 1.811 2.196) 2.857 23.687 ( 1.708 -0.423 -0.797) 1.931 24.087 ( -7.119 0.162 6.247) 9.473 24.233 ( 14.796 -3.614 1.079) 15.269 ======================= Grid point 141 (71/110) ======================= q-point: ( 0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 6.456 5.570 5.536) 10.166 0.957 ( 4.592 2.419 -3.420) 6.216 1.074 ( 3.286 2.143 -5.158) 6.480 1.159 ( 4.957 4.398 -0.458) 6.643 1.269 ( 0.683 -2.154 -1.778) 2.875 1.307 ( -0.428 -0.675 -2.954) 3.061 1.455 ( 1.505 -1.242 -1.374) 2.387 1.511 ( -1.930 6.327 -2.508) 7.074 1.583 ( -0.948 0.443 0.057) 1.048 1.672 ( 3.249 -2.211 0.148) 3.933 1.726 ( 2.274 -2.046 5.209) 6.041 1.798 ( -0.452 -0.380 -2.501) 2.570 1.972 ( 2.631 3.769 4.312) 6.303 2.054 ( 2.935 0.505 -0.812) 3.087 2.197 ( -4.631 6.392 0.040) 7.893 2.311 ( -1.364 -2.627 -0.011) 2.960 2.426 ( 2.991 2.482 -3.136) 4.995 2.438 ( -2.937 -0.613 -4.503) 5.411 2.599 ( 1.737 -2.584 -0.145) 3.117 2.744 ( 8.874 -0.356 5.884) 10.654 2.923 ( -0.577 -1.139 4.261) 4.448 2.985 ( 1.223 -7.278 -1.665) 7.565 3.146 ( -3.571 -2.718 2.677) 5.225 3.414 ( -0.264 -4.830 -1.915) 5.202 3.581 ( 4.324 -7.109 0.993) 8.380 3.613 ( 0.465 -5.940 -1.365) 6.113 3.695 ( 0.087 0.293 3.900) 3.912 3.946 ( 4.963 -0.252 -4.892) 6.973 4.108 ( 4.295 -9.480 1.116) 10.468 4.275 ( 8.516 -3.733 -0.843) 9.336 4.513 ( -11.657 -1.373 -5.759) 13.075 4.763 ( -7.672 4.062 -8.462) 12.123 4.984 ( 7.420 0.588 5.276) 9.124 5.022 ( 12.090 -5.283 2.953) 13.520 5.072 ( -0.357 -1.478 3.450) 3.770 5.174 ( 1.048 -2.176 1.171) 2.684 5.488 ( -1.044 6.506 3.545) 7.482 5.662 ( 1.516 6.239 -3.848) 7.486 5.902 ( -7.537 -6.430 0.080) 9.908 6.144 ( 0.201 -5.622 -2.807) 6.288 6.421 ( -8.008 -0.831 0.841) 8.095 6.530 ( -1.160 -1.470 2.128) 2.834 8.473 ( -3.756 6.529 -1.932) 7.776 8.642 ( 5.431 -3.623 2.875) 7.134 8.888 ( -6.912 5.338 -1.566) 8.873 9.122 ( 8.506 -5.748 2.043) 10.468 9.360 ( 1.380 -0.111 1.903) 2.353 9.415 ( -1.294 0.987 -5.878) 6.099 9.816 ( 3.805 1.689 0.960) 4.273 9.856 ( 2.950 0.421 -1.563) 3.365 10.267 ( -8.477 10.055 4.953) 14.053 10.501 ( -0.606 6.957 5.550) 8.920 11.016 ( -2.752 1.848 -1.296) 3.559 11.092 ( 3.086 1.947 -0.948) 3.770 11.324 ( -0.577 -1.838 0.483) 1.986 11.466 ( 5.769 2.336 -7.249) 9.555 11.781 ( -7.743 -6.159 0.512) 9.907 11.965 ( 2.890 1.941 6.956) 7.779 12.212 ( -4.843 -3.267 -2.905) 6.524 12.378 ( -1.715 -2.430 4.283) 5.215 12.630 ( -1.996 3.480 0.478) 4.040 12.900 ( 0.028 0.289 -4.301) 4.311 20.441 ( -5.777 -0.225 7.446) 9.427 20.563 ( 0.457 -3.100 6.601) 7.307 20.794 ( 2.718 2.137 -6.740) 7.575 21.115 ( 11.885 -4.033 -10.942) 16.651 21.376 ( 1.928 0.459 2.511) 3.199 21.468 ( 5.157 -1.855 2.230) 5.917 21.657 ( 2.315 5.054 1.614) 5.789 21.812 ( 6.127 5.054 -1.428) 8.070 22.643 ( -4.671 -2.381 -0.958) 5.329 22.807 ( 3.941 -1.434 1.275) 4.384 22.941 ( -2.792 -0.935 0.458) 2.980 23.043 ( 3.028 -0.322 2.000) 3.643 23.574 ( -4.987 1.615 0.488) 5.264 23.701 ( -0.639 -1.105 -1.275) 1.804 23.938 ( -11.117 4.263 1.989) 12.072 24.421 ( 6.592 -7.730 -4.735) 11.209 ======================= Grid point 142 (72/110) ======================= q-point: ( 0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 2.068 -2.048 -6.644) 7.254 1.044 ( 6.334 0.846 -2.304) 6.792 1.168 ( -0.282 3.062 0.621) 3.137 1.192 ( 2.615 0.465 0.442) 2.692 1.308 ( 4.437 1.837 3.514) 5.950 1.359 ( 4.938 3.548 -2.241) 6.480 1.418 ( -4.755 4.939 2.824) 7.415 1.472 ( 2.816 -1.238 -3.370) 4.563 1.535 ( -3.347 1.274 -1.259) 3.796 1.713 ( 2.664 -2.731 -2.196) 4.402 1.774 ( 1.123 -5.041 -3.454) 6.213 1.825 ( 2.814 0.792 3.212) 4.343 2.045 ( -2.925 2.811 -0.469) 4.084 2.078 ( -2.170 2.144 4.717) 5.618 2.144 ( 2.432 0.126 -0.993) 2.630 2.264 ( -1.500 -3.545 -6.336) 7.414 2.354 ( 0.880 3.259 0.695) 3.446 2.481 ( 4.530 5.003 -2.189) 7.095 2.640 ( 1.535 -1.215 -0.602) 2.048 2.942 ( -1.291 -1.644 8.090) 8.356 2.966 ( 7.714 -0.218 -0.580) 7.739 3.000 ( 0.946 -7.639 -1.014) 7.764 3.127 ( -0.598 -2.081 1.643) 2.718 3.386 ( -1.236 -4.501 1.330) 4.854 3.607 ( -0.468 -6.014 -0.776) 6.082 3.676 ( 1.077 -0.667 3.549) 3.768 3.737 ( 4.867 -4.258 -0.966) 6.539 3.990 ( 4.089 -6.681 -4.927) 9.253 4.214 ( 0.213 -5.442 -6.608) 8.563 4.310 ( 2.254 -0.493 0.413) 2.344 4.406 ( 2.578 -1.730 -4.004) 5.067 4.529 ( -4.088 4.340 -8.521) 10.400 5.074 ( 2.091 -0.413 1.817) 2.801 5.154 ( 3.289 -1.431 5.661) 6.702 5.192 ( 1.746 -1.753 3.020) 3.904 5.336 ( 9.714 -0.636 5.964) 11.417 5.510 ( 0.964 2.610 2.481) 3.728 5.685 ( 1.726 5.648 0.517) 5.929 5.772 ( -5.876 -5.194 1.962) 8.084 6.066 ( -5.722 -4.454 -2.054) 7.537 6.250 ( -9.162 2.516 0.098) 9.502 6.499 ( -3.143 0.498 -0.624) 3.243 8.411 ( -1.209 9.885 -0.459) 9.970 8.723 ( -5.182 3.375 1.630) 6.395 8.808 ( 4.123 -0.450 1.479) 4.403 9.274 ( 6.172 -6.794 -1.008) 9.234 9.307 ( -0.363 3.105 -3.871) 4.976 9.457 ( 3.529 -0.666 -1.245) 3.801 9.852 ( -0.331 3.229 -0.640) 3.309 9.923 ( 4.484 -1.195 -1.309) 4.822 10.178 ( -3.532 7.833 3.395) 9.239 10.509 ( -3.738 4.518 6.076) 8.444 10.953 ( -2.472 -1.665 0.239) 2.990 11.127 ( -0.434 -0.898 1.260) 1.607 11.276 ( -1.770 -0.902 -2.902) 3.517 11.523 ( 4.944 -1.523 -7.870) 9.418 11.659 ( -2.908 -1.691 -0.921) 3.487 12.010 ( -5.029 4.284 5.040) 8.310 12.132 ( -0.280 -4.558 -2.431) 5.173 12.369 ( -4.733 -2.306 6.905) 8.683 12.608 ( 0.909 4.732 -1.439) 5.029 12.859 ( -0.616 1.417 -2.803) 3.201 20.429 ( -2.221 0.611 6.243) 6.655 20.638 ( 0.606 -5.099 6.747) 8.479 20.792 ( 2.973 3.244 -6.233) 7.630 21.164 ( 3.984 -5.805 -9.942) 12.182 21.479 ( 4.122 1.328 4.295) 6.100 21.629 ( 8.668 -0.689 3.708) 9.453 21.835 ( 11.610 3.288 6.005) 13.478 21.932 ( 6.508 7.071 -1.685) 9.756 22.532 ( -3.288 -0.510 -2.452) 4.133 22.874 ( 0.992 -5.416 -3.158) 6.347 22.898 ( -1.906 3.730 3.119) 5.222 23.136 ( -0.244 -0.651 4.657) 4.709 23.474 ( -4.623 1.063 0.473) 4.767 23.632 ( -3.928 -1.277 -0.575) 4.170 23.758 ( -6.623 5.913 -1.334) 8.979 24.427 ( 1.040 -9.033 -8.971) 12.773 ======================= Grid point 143 (73/110) ======================= q-point: (-0.57 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -1.776 0.898 1.897) 2.750 1.082 ( -1.453 1.829 -0.051) 2.336 1.181 ( 4.012 1.401 -4.479) 6.174 1.210 ( 0.613 5.319 -3.210) 6.243 1.293 ( -5.042 0.586 2.331) 5.586 1.419 ( 1.922 0.484 -3.322) 3.868 1.446 ( 0.844 1.050 2.642) 2.965 1.510 ( 4.180 2.188 -0.121) 4.720 1.546 ( 5.327 -1.529 -0.078) 5.543 1.729 ( 2.759 -1.183 -2.207) 3.726 1.811 ( 0.151 -2.632 4.242) 4.995 1.863 ( 0.133 0.618 -4.466) 4.511 1.920 ( -7.927 -3.739 1.057) 8.828 2.026 ( -1.401 -2.362 0.957) 2.909 2.151 ( -2.022 -1.077 -5.638) 6.086 2.265 ( 7.319 1.315 -3.928) 8.410 2.447 ( 4.243 5.778 3.067) 7.797 2.505 ( -1.370 4.092 -1.609) 4.605 2.660 ( 0.926 -0.829 2.080) 2.423 2.943 ( -2.811 1.724 1.804) 3.758 2.965 ( -3.223 -3.571 -0.724) 4.864 3.093 ( 5.700 -7.127 0.452) 9.137 3.166 ( 2.543 -4.045 2.064) 5.205 3.420 ( 1.548 -4.209 5.267) 6.918 3.565 ( -2.747 -6.067 -2.526) 7.123 3.686 ( -1.627 2.921 3.555) 4.881 3.814 ( 1.832 -7.456 -4.392) 8.845 4.003 ( 2.333 -6.323 -7.272) 9.915 4.101 ( -1.961 -1.190 -4.140) 4.732 4.270 ( -3.070 3.431 -6.161) 7.692 4.433 ( 3.360 0.410 1.541) 3.720 4.556 ( 5.904 -1.242 -5.253) 8.000 5.095 ( -3.920 -2.989 6.144) 7.878 5.228 ( 0.360 -2.134 2.313) 3.168 5.330 ( 9.221 2.400 5.404) 10.954 5.485 ( -0.597 1.045 3.305) 3.517 5.555 ( 1.412 -1.762 4.004) 4.597 5.715 ( 2.125 3.337 -1.061) 4.096 5.771 ( 2.709 -3.130 4.666) 6.237 5.918 ( -7.421 -2.047 -0.146) 7.699 6.102 ( -5.346 5.237 0.008) 7.483 6.405 ( -3.658 3.026 -4.839) 6.778 8.421 ( 1.824 11.790 1.397) 12.011 8.601 ( -5.670 8.755 -1.827) 10.589 8.943 ( 5.141 -4.434 6.143) 9.155 9.284 ( 0.918 0.345 -3.321) 3.463 9.348 ( 1.870 -5.639 -2.609) 6.489 9.469 ( 1.766 1.043 -7.278) 7.561 9.813 ( -4.291 3.491 3.893) 6.765 9.965 ( 1.630 -0.590 -2.519) 3.058 10.229 ( 5.512 5.197 3.465) 8.330 10.439 ( -8.175 3.293 2.925) 9.286 10.967 ( 1.963 -4.433 4.657) 6.723 11.076 ( -6.082 -7.535 4.632) 10.734 11.259 ( 2.906 2.332 -4.559) 5.888 11.480 ( 0.151 -4.529 -8.840) 9.934 11.679 ( 4.072 2.135 -1.813) 4.942 11.879 ( -8.962 -1.668 -1.576) 9.251 12.144 ( 1.043 4.740 2.425) 5.426 12.318 ( -3.833 0.168 2.193) 4.420 12.648 ( 2.202 3.187 1.868) 4.301 12.832 ( -0.063 1.330 -2.242) 2.607 20.450 ( -1.338 0.789 5.951) 6.151 20.684 ( -0.368 -4.743 2.948) 5.596 20.808 ( 2.583 0.697 -2.132) 3.421 21.131 ( 1.302 -6.903 -8.497) 11.025 21.597 ( 3.811 3.482 5.231) 7.350 21.852 ( 7.926 0.641 5.229) 9.518 21.940 ( -0.280 7.302 -0.496) 7.324 22.136 ( 7.190 3.191 5.941) 9.857 22.523 ( 4.018 1.422 0.455) 4.287 22.819 ( -6.077 1.988 -1.838) 6.653 22.857 ( 0.420 -2.549 -2.964) 3.931 23.046 ( -8.682 0.513 -1.305) 8.794 23.435 ( -0.905 1.619 2.207) 2.883 23.597 ( -1.470 5.181 -2.459) 5.920 23.710 ( 2.362 -3.578 5.448) 6.933 24.323 ( -1.976 -9.763 -12.362) 15.876 ======================= Grid point 144 (74/110) ======================= q-point: (-0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -7.116 5.641 7.865) 12.013 1.020 ( -8.903 3.551 1.377) 9.683 1.100 ( -0.967 3.667 -1.122) 3.955 1.234 ( 3.791 0.298 -3.703) 5.308 1.314 ( 2.335 3.443 -3.580) 5.489 1.417 ( 1.660 -1.774 -0.813) 2.562 1.469 ( -0.301 2.683 1.530) 3.103 1.583 ( 3.849 -1.292 -4.652) 6.174 1.653 ( -7.173 -2.996 -5.428) 9.481 1.665 ( 4.076 -3.888 2.330) 6.096 1.769 ( -1.091 -0.830 1.843) 2.297 1.825 ( 0.637 1.212 0.929) 1.655 1.949 ( 0.856 -3.690 0.175) 3.792 1.990 ( 1.370 -5.225 -3.070) 6.213 2.092 ( -2.840 1.122 1.199) 3.280 2.325 ( 2.843 2.325 -6.287) 7.281 2.439 ( -2.100 6.718 -0.569) 7.061 2.553 ( 4.779 2.867 1.261) 5.714 2.669 ( -4.433 0.136 4.735) 6.487 2.865 ( -3.242 -2.888 -2.175) 4.856 2.961 ( 1.266 -1.301 3.717) 4.137 3.126 ( -0.130 -3.669 -2.866) 4.658 3.282 ( 3.278 -9.164 7.375) 12.211 3.411 ( -8.432 -10.199 -5.990) 14.526 3.529 ( 2.573 1.119 6.252) 6.853 3.665 ( -4.504 3.888 4.160) 7.260 3.756 ( 0.730 -5.262 -8.025) 9.624 3.971 ( 1.235 -2.006 -7.221) 7.596 4.065 ( -0.369 1.032 0.853) 1.389 4.250 ( 4.865 -0.494 -5.971) 7.718 4.430 ( -4.352 -0.391 0.688) 4.423 4.586 ( 1.270 -1.483 -5.832) 6.150 5.040 ( -7.348 -2.935 7.779) 11.096 5.245 ( -1.455 -3.020 3.760) 5.038 5.392 ( -8.587 3.500 0.676) 9.297 5.523 ( 4.022 0.969 2.952) 5.082 5.605 ( -2.968 -7.509 1.431) 8.201 5.745 ( 6.426 0.351 -2.840) 7.034 5.859 ( 1.719 1.548 2.803) 3.634 5.925 ( 8.205 -1.592 2.355) 8.683 6.076 ( 0.887 5.247 4.348) 6.872 6.299 ( -1.289 5.167 -6.478) 8.386 8.469 ( -1.875 8.703 0.086) 8.903 8.531 ( 3.494 11.816 0.497) 12.332 9.089 ( 2.681 -4.098 6.442) 8.092 9.228 ( -3.200 -5.896 -5.631) 8.759 9.305 ( -2.492 0.394 -2.533) 3.575 9.430 ( 1.757 1.617 -8.067) 8.413 9.779 ( -4.059 1.430 6.359) 7.679 9.972 ( 1.450 0.024 -1.081) 1.809 10.263 ( -9.226 3.238 0.217) 9.780 10.415 ( 7.917 3.524 4.729) 9.873 10.995 ( -5.022 -6.478 5.653) 9.957 11.099 ( 3.541 -6.646 6.133) 9.712 11.275 ( 2.591 3.449 -5.337) 6.863 11.406 ( 1.138 -1.869 -10.966) 11.182 11.680 ( -7.112 -1.573 -0.549) 7.304 11.763 ( 3.589 -0.223 0.873) 3.700 12.218 ( 3.247 7.493 5.361) 9.768 12.288 ( 0.673 2.008 -1.649) 2.684 12.689 ( -0.273 3.057 1.995) 3.661 12.810 ( -0.168 -0.057 -2.651) 2.656 20.475 ( -1.547 0.717 5.795) 6.041 20.688 ( 0.015 -3.416 -0.272) 3.426 20.837 ( 0.254 -3.046 1.498) 3.404 21.074 ( 0.465 -7.015 -8.109) 10.732 21.693 ( -0.806 4.144 5.454) 6.897 21.797 ( -4.066 7.114 -3.307) 8.836 22.092 ( -11.649 2.358 -1.185) 11.944 22.144 ( 8.312 0.557 10.212) 13.179 22.616 ( -10.470 2.487 -4.306) 11.591 22.690 ( 6.693 1.332 1.978) 7.105 22.841 ( -3.923 1.546 -0.955) 4.323 22.966 ( 7.754 -0.402 -0.144) 7.766 23.473 ( 2.137 2.987 2.671) 4.541 23.559 ( 1.414 4.124 -3.260) 5.443 23.850 ( 3.452 -5.889 9.109) 11.383 24.137 ( -5.005 -8.965 -14.649) 17.889 ======================= Grid point 145 (75/110) ======================= q-point: (-0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -11.814 5.255 4.145) 13.578 0.910 ( -4.481 5.804 6.580) 9.852 1.114 ( 0.968 2.264 1.808) 3.055 1.275 ( -0.305 3.012 -4.149) 5.136 1.281 ( 1.855 0.481 -3.270) 3.790 1.389 ( -4.421 0.213 2.824) 5.250 1.453 ( -4.578 -1.244 -0.067) 4.745 1.499 ( -0.392 -3.407 -5.008) 6.070 1.621 ( 3.129 2.637 -3.515) 5.395 1.662 ( -5.560 4.195 -5.079) 8.620 1.773 ( 2.009 -0.293 2.487) 3.210 1.877 ( -0.165 -3.810 -1.772) 4.205 1.932 ( 2.206 -3.572 4.564) 6.201 2.044 ( 1.366 -3.739 0.902) 4.081 2.089 ( 3.308 -0.998 -0.029) 3.456 2.278 ( -0.450 3.090 -2.573) 4.046 2.439 ( 0.804 6.208 -3.325) 7.088 2.589 ( -4.076 -2.635 -0.113) 4.855 2.611 ( -2.487 4.780 -3.117) 6.225 2.797 ( -2.696 -4.456 5.804) 7.798 3.031 ( 0.511 -0.274 1.072) 1.219 3.084 ( -2.885 -6.380 -2.455) 7.420 3.180 ( -4.898 -5.059 -3.268) 7.763 3.387 ( 0.464 -9.070 8.064) 12.145 3.570 ( -5.680 2.320 5.889) 8.504 3.665 ( 3.366 -1.908 -0.803) 3.951 3.715 ( 1.171 1.419 -4.637) 4.988 3.938 ( 1.013 -4.624 -4.116) 6.273 4.055 ( -4.319 3.301 1.643) 5.679 4.302 ( -0.045 -1.259 -2.994) 3.248 4.345 ( 1.950 -4.875 -0.349) 5.262 4.480 ( -6.210 -0.765 -4.421) 7.661 5.004 ( -1.997 -1.689 6.679) 7.172 5.206 ( -7.513 -0.300 3.723) 8.391 5.241 ( -4.283 3.014 -1.610) 5.479 5.458 ( -8.081 -5.025 -1.040) 9.572 5.579 ( -1.691 -4.442 2.134) 5.210 5.867 ( 4.806 0.779 -2.900) 5.667 5.931 ( 6.684 -4.740 -7.437) 11.066 6.075 ( 4.572 -0.975 -0.995) 4.779 6.191 ( 5.058 4.297 6.075) 8.997 6.313 ( 6.053 3.786 3.335) 7.881 8.422 ( -0.935 4.932 -0.877) 5.096 8.663 ( 6.588 12.209 2.154) 14.039 9.021 ( -6.818 -7.213 -5.936) 11.565 9.187 ( -2.005 -2.518 3.091) 4.463 9.228 ( -3.107 1.376 -1.859) 3.873 9.435 ( 4.087 1.079 -2.517) 4.919 9.757 ( -4.139 -0.344 5.967) 7.270 9.971 ( -1.668 -2.796 -4.034) 5.184 10.158 ( -0.622 7.144 4.282) 8.352 10.581 ( 2.524 2.666 6.097) 7.117 10.943 ( -3.943 -5.102 2.800) 7.029 11.182 ( 0.563 0.353 -2.325) 2.418 11.231 ( 0.068 5.549 -3.711) 6.676 11.382 ( 4.465 -2.624 -5.432) 7.505 11.618 ( 0.111 -2.077 1.948) 2.850 11.860 ( 2.319 -2.735 6.033) 7.018 12.293 ( 3.649 3.755 -4.582) 6.958 12.384 ( 5.462 6.081 9.803) 12.764 12.667 ( -0.719 3.101 -3.839) 4.987 12.783 ( -0.510 -1.168 -1.375) 1.875 20.491 ( -1.803 0.256 5.262) 5.568 20.684 ( -0.964 -4.071 1.082) 4.321 20.839 ( -0.806 -4.525 0.649) 4.642 21.006 ( -0.396 -5.818 -7.984) 9.887 21.582 ( -9.347 3.036 0.688) 9.851 21.736 ( -7.802 3.424 -1.741) 8.697 21.859 ( -6.306 5.171 0.743) 8.189 22.209 ( -8.707 -2.142 -9.074) 12.757 22.475 ( 0.923 1.232 4.067) 4.349 22.633 ( -4.140 -3.771 3.557) 6.634 22.967 ( 7.560 5.025 1.261) 9.165 23.185 ( 11.436 2.456 3.676) 12.261 23.524 ( 1.896 3.760 -0.557) 4.248 23.605 ( 4.417 1.578 -0.095) 4.692 23.884 ( -6.010 -4.142 -11.377) 13.517 23.996 ( 1.796 -5.282 9.090) 10.666 ======================= Grid point 146 (76/110) ======================= q-point: (-0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -4.333 7.167 6.053) 10.334 0.869 ( -4.643 6.826 3.433) 8.941 1.132 ( -3.622 3.960 -0.897) 5.441 1.188 ( -0.142 3.918 -1.154) 4.087 1.318 ( 1.859 -4.468 -1.853) 5.181 1.366 ( -1.207 2.274 3.664) 4.478 1.376 ( -0.472 0.879 -1.469) 1.776 1.474 ( -0.540 -1.116 0.699) 1.423 1.546 ( -0.378 3.386 -3.354) 4.781 1.616 ( -1.616 3.250 -2.138) 4.213 1.779 ( -0.673 3.111 -2.526) 4.063 1.918 ( 1.702 -5.393 0.590) 5.686 1.930 ( -2.981 -3.697 0.943) 4.842 2.107 ( 2.155 0.270 0.966) 2.377 2.173 ( 4.483 -3.566 1.516) 5.926 2.267 ( 0.218 1.836 -3.746) 4.177 2.381 ( -4.015 2.756 -1.303) 5.041 2.434 ( -4.069 0.802 -3.960) 5.734 2.554 ( -1.270 1.702 1.531) 2.617 2.804 ( -3.027 -0.652 1.339) 3.373 2.961 ( -4.989 -8.145 0.224) 9.554 3.045 ( 0.041 -1.795 2.289) 2.909 3.181 ( 2.225 -2.910 -0.221) 3.670 3.482 ( -2.645 1.653 6.400) 7.119 3.513 ( 1.589 -8.414 2.972) 9.064 3.602 ( -3.385 -5.839 -9.313) 11.502 3.737 ( -3.235 5.205 2.118) 6.484 3.864 ( -1.442 -4.394 -2.586) 5.298 4.054 ( 3.156 -3.231 3.863) 5.943 4.199 ( -10.477 -4.914 1.733) 11.701 4.352 ( 4.735 0.185 0.718) 4.793 4.548 ( 11.448 -0.644 0.300) 11.470 5.039 ( -3.735 -2.003 2.293) 4.819 5.108 ( -0.234 0.073 -0.953) 0.984 5.155 ( -5.040 1.558 1.816) 5.579 5.278 ( -10.325 -4.198 0.434) 11.154 5.523 ( -3.481 -1.548 -2.229) 4.414 5.820 ( -1.570 3.947 -8.515) 9.515 6.025 ( 7.063 -7.179 -4.369) 10.978 6.093 ( -0.357 -4.135 -2.044) 4.627 6.346 ( 5.541 1.937 4.230) 7.235 6.491 ( 5.333 -0.536 5.298) 7.536 8.426 ( 1.588 1.342 0.333) 2.105 8.768 ( 0.243 11.485 0.236) 11.490 8.850 ( -2.696 -8.831 -4.178) 10.135 9.139 ( -4.975 -2.604 1.647) 5.852 9.216 ( 2.577 3.821 1.321) 4.795 9.503 ( 4.211 -0.788 -2.355) 4.889 9.722 ( -4.301 -0.313 5.423) 6.929 9.877 ( -2.357 -1.311 -3.966) 4.796 10.274 ( 5.517 8.423 6.056) 11.750 10.554 ( -9.156 6.067 4.516) 11.876 10.952 ( 3.296 0.405 1.054) 3.484 11.122 ( -1.194 5.101 -3.699) 6.413 11.251 ( 1.856 0.894 -0.975) 2.279 11.431 ( 3.452 -1.950 -2.859) 4.888 11.690 ( 4.673 -1.649 2.576) 5.585 11.927 ( -2.005 -4.686 7.374) 8.964 12.324 ( 3.844 3.364 -4.831) 7.030 12.479 ( -5.410 3.219 4.465) 7.718 12.662 ( 2.115 -1.780 -0.533) 2.815 12.806 ( 6.816 0.909 -3.476) 7.705 20.500 ( -1.842 -0.591 4.993) 5.355 20.652 ( -6.854 -6.124 6.793) 11.429 20.838 ( 2.802 -2.744 -4.114) 5.684 20.917 ( -0.442 -3.648 -8.790) 9.527 21.419 ( -7.782 1.131 2.348) 8.207 21.538 ( -7.282 -1.162 -3.898) 8.341 21.778 ( -5.379 6.167 0.462) 8.196 21.910 ( -7.685 4.764 -11.490) 14.621 22.534 ( 2.900 -1.903 1.688) 3.858 22.687 ( 0.777 -5.692 9.180) 10.830 23.034 ( -0.005 3.796 -3.822) 5.387 23.288 ( -2.399 -0.960 -6.532) 7.024 23.564 ( 3.174 0.819 0.055) 3.279 23.673 ( 0.821 -1.315 -0.296) 1.579 23.888 ( 14.253 4.644 3.884) 15.485 24.095 ( -1.153 -2.763 9.374) 9.841 ======================= Grid point 147 (77/110) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 6.359 7.743 2.320) 10.284 1.055 ( 2.241 6.564 1.081) 7.019 1.108 ( -1.001 -2.777 -3.449) 4.539 1.174 ( -1.938 2.913 -6.137) 7.064 1.232 ( 0.720 -0.973 -2.359) 2.652 1.336 ( 0.340 -1.836 -5.812) 6.104 1.463 ( 0.588 2.046 1.593) 2.659 1.551 ( 3.642 0.841 2.945) 4.759 1.606 ( 0.978 0.739 -1.096) 1.644 1.633 ( 0.322 4.726 -3.102) 5.662 1.704 ( -5.939 -3.535 -0.005) 6.911 1.806 ( -0.095 -2.283 -3.268) 3.987 1.935 ( 2.914 4.482 4.897) 7.250 2.078 ( -1.970 0.196 0.185) 1.988 2.200 ( 0.285 -2.930 4.200) 5.129 2.250 ( 3.183 -5.481 2.190) 6.706 2.398 ( 0.744 4.488 1.725) 4.865 2.548 ( 0.588 0.880 1.191) 1.593 2.567 ( -0.528 3.904 1.693) 4.288 2.704 ( -2.065 1.004 -2.822) 3.638 2.817 ( 0.247 -7.448 -0.357) 7.461 2.906 ( 0.390 -1.529 -3.184) 3.553 3.121 ( -2.333 -4.689 5.065) 7.285 3.279 ( -2.944 -9.576 -1.867) 10.191 3.436 ( 3.465 -2.968 -5.526) 7.166 3.472 ( -2.857 -1.554 -3.691) 4.919 3.782 ( -4.460 5.340 2.252) 7.313 3.892 ( 4.558 0.002 -0.823) 4.632 3.978 ( -4.861 -3.208 2.718) 6.427 4.027 ( 7.034 -5.765 -0.558) 9.112 4.617 ( 12.267 2.524 4.671) 13.367 4.744 ( 5.299 -3.498 5.875) 8.650 4.855 ( -6.772 3.491 -3.967) 8.590 5.004 ( -6.978 -1.321 -2.228) 7.443 5.096 ( -3.553 -0.047 0.851) 3.654 5.125 ( -2.043 -1.659 -0.094) 2.634 5.582 ( 1.599 5.586 3.939) 7.019 5.805 ( -0.258 2.872 -6.869) 7.450 5.884 ( -3.085 -7.965 -0.924) 8.591 5.966 ( 4.228 -6.275 -5.384) 9.286 6.454 ( -0.098 0.313 3.477) 3.493 6.506 ( -1.753 -2.215 1.611) 3.252 8.473 ( 1.483 0.446 1.946) 2.487 8.613 ( 0.125 -4.984 -4.108) 6.460 8.970 ( 0.533 4.578 1.723) 4.921 9.053 ( -2.865 0.709 -1.152) 3.169 9.315 ( 1.525 1.610 0.528) 2.280 9.449 ( 1.104 -4.032 -5.249) 6.710 9.775 ( 1.472 2.248 3.880) 4.720 9.836 ( 0.798 -0.510 0.164) 0.961 10.594 ( -2.342 9.069 8.155) 12.420 10.634 ( -4.403 9.527 7.517) 12.909 11.084 ( 3.255 3.585 -1.738) 5.145 11.139 ( -2.457 2.457 -2.741) 4.426 11.270 ( 1.168 -0.871 1.713) 2.249 11.444 ( 4.951 -3.671 -3.880) 7.283 11.736 ( 0.655 -3.212 1.117) 3.463 11.839 ( 1.654 -2.607 0.750) 3.177 12.340 ( -5.228 0.234 1.360) 5.407 12.390 ( -5.904 0.372 -2.145) 6.293 12.691 ( 1.106 3.188 2.103) 3.976 12.861 ( 4.181 -3.446 -4.217) 6.866 20.478 ( -4.538 -1.105 6.691) 8.160 20.493 ( -4.601 -1.619 6.544) 8.162 20.821 ( 3.476 0.754 -6.935) 7.794 20.897 ( 9.907 -2.737 -8.623) 13.416 21.353 ( -1.990 0.224 2.501) 3.204 21.398 ( -1.870 -1.649 -0.487) 2.540 21.793 ( -3.484 5.462 -1.782) 6.719 21.863 ( -0.047 3.029 -5.877) 6.612 22.586 ( 2.608 -1.471 4.456) 5.368 22.657 ( 2.023 -4.751 3.696) 6.350 23.010 ( -3.069 2.573 -3.943) 5.620 23.097 ( -4.955 -1.621 -6.631) 8.434 23.653 ( 0.900 1.292 1.576) 2.227 23.681 ( 1.062 -0.244 0.380) 1.154 24.098 ( -2.837 0.983 5.547) 6.308 24.171 ( 7.369 -2.624 3.156) 8.435 ======================= Grid point 148 (78/110) ======================= q-point: ( 0.14 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.789 1.351 -7.445) 7.608 1.031 ( 1.691 5.653 0.177) 5.903 1.110 ( 4.994 0.597 1.148) 5.159 1.220 ( 1.630 -2.290 -1.831) 3.355 1.225 ( 4.715 0.390 -2.580) 5.389 1.316 ( 3.618 0.937 -2.267) 4.371 1.467 ( -0.387 3.612 0.715) 3.702 1.575 ( -0.613 -0.250 -1.323) 1.480 1.615 ( -0.901 -2.187 0.960) 2.553 1.631 ( 1.254 1.260 -1.946) 2.636 1.686 ( 2.415 1.327 -0.529) 2.806 1.796 ( 1.245 -0.123 -1.170) 1.713 2.040 ( 1.016 -1.292 -0.754) 1.809 2.081 ( 3.534 3.579 3.180) 5.951 2.195 ( -1.835 -2.719 3.546) 4.831 2.289 ( -3.773 -0.345 1.071) 3.937 2.414 ( 1.000 1.754 -2.988) 3.606 2.543 ( 0.437 -0.661 4.089) 4.165 2.586 ( 1.382 6.248 -4.358) 7.743 2.720 ( 3.700 -0.985 2.503) 4.574 2.828 ( 2.289 -6.455 -1.875) 7.101 2.915 ( 1.838 -1.123 -0.645) 2.249 3.094 ( -2.781 -2.874 4.344) 5.904 3.226 ( -1.744 -9.720 0.120) 9.876 3.497 ( 6.033 -3.588 -1.244) 7.129 3.522 ( 6.746 -1.999 -2.326) 7.411 3.731 ( -2.332 2.186 2.217) 3.890 3.870 ( -2.063 -5.968 -0.718) 6.355 4.047 ( 8.103 2.224 -1.809) 8.595 4.188 ( 9.198 -4.465 -0.844) 10.259 4.545 ( -10.943 4.593 -4.948) 12.858 4.801 ( -8.647 -2.708 -6.528) 11.168 4.937 ( 12.780 -0.459 4.530) 13.567 4.991 ( 6.927 -0.487 4.667) 8.367 5.064 ( -0.310 0.683 3.704) 3.779 5.133 ( 1.645 -1.907 3.022) 3.934 5.600 ( -2.771 4.553 1.244) 5.473 5.759 ( -0.519 0.218 -5.005) 5.037 5.785 ( -3.572 -1.317 0.525) 3.843 6.005 ( 1.944 -7.552 -3.719) 8.639 6.423 ( -5.330 0.891 1.857) 5.714 6.493 ( -0.981 -2.094 2.665) 3.528 8.539 ( 3.153 0.658 0.284) 3.233 8.609 ( 3.438 -0.737 -2.903) 4.559 8.982 ( -3.232 3.484 -0.582) 4.788 9.036 ( 3.516 -1.891 2.884) 4.924 9.362 ( 2.780 0.455 0.054) 2.818 9.412 ( 0.247 -1.118 -4.830) 4.964 9.840 ( 3.168 0.943 0.496) 3.342 9.863 ( 2.282 0.033 -1.066) 2.519 10.502 ( -9.811 12.514 6.717) 17.262 10.651 ( -3.954 6.699 6.942) 10.426 11.033 ( -5.346 -0.027 -1.158) 5.470 11.102 ( -1.420 -1.824 -0.765) 2.435 11.305 ( 0.243 0.816 0.737) 1.126 11.483 ( 3.184 -3.372 -5.678) 7.331 11.701 ( -0.747 1.456 -2.330) 2.847 11.945 ( 6.581 -4.637 0.718) 8.082 12.199 ( -8.035 2.329 1.415) 8.485 12.334 ( -4.322 -2.472 6.600) 8.267 12.709 ( 0.510 4.327 -1.107) 4.495 12.872 ( 1.134 -2.825 -3.884) 4.934 20.443 ( -3.817 0.478 6.435) 7.497 20.504 ( -1.065 -2.636 5.890) 6.540 20.846 ( 5.235 3.159 -7.854) 9.953 21.019 ( 10.144 -5.100 -11.334) 16.043 21.384 ( 2.760 0.479 2.903) 4.034 21.429 ( 3.952 -1.808 3.209) 5.403 21.775 ( 2.917 6.050 0.631) 6.746 21.891 ( 6.067 2.020 -1.431) 6.552 22.611 ( -2.283 -0.357 -0.679) 2.408 22.733 ( 3.521 -4.943 -0.032) 6.069 22.960 ( -1.545 1.959 1.169) 2.756 23.029 ( 1.943 -1.101 1.456) 2.667 23.610 ( -4.871 1.891 -0.180) 5.228 23.676 ( -2.556 -1.365 -0.644) 2.968 24.034 ( -6.588 5.199 1.831) 8.590 24.273 ( 2.265 -6.844 -1.373) 7.338 ======================= Grid point 149 (79/110) ======================= q-point: ( 0.29 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 2.950 2.006 -6.091) 7.058 1.079 ( 4.265 2.755 -1.439) 5.277 1.177 ( 0.913 -1.545 -1.396) 2.274 1.200 ( 0.975 -2.302 -1.003) 2.694 1.355 ( 6.656 2.218 2.515) 7.453 1.413 ( 3.295 -0.072 -0.927) 3.423 1.448 ( -1.541 4.080 -0.684) 4.415 1.565 ( 1.617 3.848 -0.177) 4.178 1.580 ( -3.724 2.642 0.336) 4.578 1.657 ( 2.394 -3.524 -0.986) 4.373 1.707 ( 2.117 1.600 -3.045) 4.039 1.831 ( 2.412 -0.799 0.632) 2.618 2.014 ( -6.405 -2.768 -0.686) 7.011 2.116 ( 6.327 -2.228 -3.335) 7.492 2.170 ( -7.170 3.165 -0.529) 7.855 2.249 ( -0.203 5.739 0.137) 5.744 2.426 ( 4.965 -1.155 0.437) 5.116 2.569 ( 1.164 4.857 -0.838) 5.064 2.622 ( 2.390 -0.173 1.401) 2.776 2.761 ( -1.040 -11.000 0.343) 11.055 2.881 ( 2.276 -4.500 -1.599) 5.290 2.961 ( 4.494 -2.475 -0.756) 5.186 3.104 ( -0.772 -0.845 3.079) 3.284 3.216 ( -0.169 -9.375 2.524) 9.710 3.542 ( 0.292 0.918 -1.019) 1.402 3.651 ( 3.457 -1.390 3.990) 5.459 3.747 ( 1.834 1.510 1.296) 2.706 3.858 ( 2.599 -5.859 -2.961) 7.060 4.154 ( 2.116 0.527 -4.569) 5.063 4.310 ( 3.668 -2.500 -1.738) 4.767 4.408 ( 3.010 4.132 -2.572) 5.723 4.601 ( -2.963 0.639 -6.848) 7.489 5.055 ( -0.478 0.819 1.129) 1.474 5.157 ( 2.266 -1.415 3.361) 4.293 5.165 ( 6.067 1.555 6.075) 8.725 5.291 ( 10.461 -3.258 6.478) 12.728 5.525 ( -4.020 -0.538 -0.514) 4.088 5.654 ( -3.776 -5.688 -2.999) 7.457 5.806 ( 1.033 5.025 2.442) 5.682 5.971 ( -2.332 -4.453 -1.962) 5.396 6.326 ( -5.948 4.701 1.770) 7.785 6.483 ( -2.035 -2.053 0.784) 2.995 8.585 ( 3.571 6.375 -2.269) 7.651 8.701 ( 5.524 -1.463 1.686) 5.958 8.913 ( -3.881 6.163 -0.231) 7.287 9.126 ( 3.351 -6.969 0.605) 7.756 9.364 ( 0.444 2.486 -3.157) 4.043 9.435 ( 3.780 -1.337 -2.378) 4.662 9.896 ( 2.413 0.974 -2.502) 3.610 9.907 ( 4.184 -0.333 -1.755) 4.550 10.381 ( -7.075 12.046 5.127) 14.882 10.613 ( -5.955 4.943 7.554) 10.814 10.898 ( -7.121 -3.670 -0.861) 8.058 11.023 ( -8.687 -8.527 4.553) 12.997 11.306 ( 2.309 3.266 -3.946) 5.618 11.465 ( 1.540 -3.820 -7.271) 8.357 11.710 ( 3.443 5.865 -4.040) 7.910 11.995 ( -2.670 -6.040 -4.975) 8.268 12.132 ( -1.007 4.879 8.750) 10.069 12.321 ( -4.223 -3.032 9.034) 10.424 12.703 ( 0.873 4.666 -2.429) 5.332 12.853 ( 0.333 -1.904 -3.104) 3.656 20.446 ( -1.683 1.159 5.723) 6.077 20.542 ( -0.581 -4.065 5.860) 7.156 20.864 ( 3.944 3.943 -8.484) 10.153 21.051 ( 4.322 -5.368 -11.776) 13.645 21.512 ( 5.747 1.865 5.778) 8.360 21.597 ( 8.639 -2.164 6.348) 10.937 21.922 ( 9.526 5.057 3.528) 11.347 22.036 ( 8.759 2.360 -0.494) 9.085 22.539 ( -1.754 2.009 -3.348) 4.280 22.751 ( 0.845 -6.517 -4.183) 7.790 22.981 ( -0.833 4.114 4.476) 6.137 23.109 ( 0.200 -2.008 5.124) 5.507 23.506 ( -4.593 1.943 0.202) 4.992 23.593 ( -3.733 -2.207 -0.219) 4.342 23.898 ( -7.025 7.616 -2.183) 10.589 24.240 ( -1.860 -9.316 -6.150) 11.317 ======================= Grid point 150 (80/110) ======================= q-point: (-0.57 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 3.354 3.796 0.567) 5.097 1.130 ( -0.221 1.612 0.279) 1.651 1.195 ( 5.099 0.115 -3.376) 6.117 1.226 ( 2.020 -2.369 -0.787) 3.211 1.340 ( -5.519 3.237 -2.066) 6.724 1.430 ( -0.766 -0.379 -2.788) 2.917 1.491 ( 2.349 1.740 2.009) 3.547 1.510 ( 0.595 2.764 -0.229) 2.837 1.604 ( 1.058 3.165 -1.787) 3.785 1.700 ( -1.921 -6.167 -0.433) 6.474 1.728 ( 3.967 -0.030 0.485) 3.997 1.864 ( -4.534 1.904 -3.649) 6.124 1.879 ( 1.295 -3.228 1.144) 3.661 2.016 ( -4.935 1.448 -6.125) 7.998 2.156 ( -1.049 2.955 -0.138) 3.138 2.291 ( 5.816 1.922 -1.595) 6.329 2.539 ( 2.636 -0.449 0.583) 2.737 2.586 ( 0.466 4.831 1.093) 4.975 2.650 ( -0.647 0.210 2.723) 2.807 2.763 ( 0.754 -14.246 1.103) 14.309 2.891 ( 0.718 -6.032 -0.745) 6.120 2.985 ( 0.850 -3.391 -6.356) 7.255 3.125 ( 0.479 -0.021 3.810) 3.840 3.255 ( -0.118 -8.250 4.476) 9.387 3.537 ( 0.579 2.133 -0.696) 2.317 3.684 ( -2.037 -3.900 1.467) 4.638 3.781 ( 0.949 3.631 0.314) 3.766 3.900 ( 2.402 -3.388 -1.067) 4.288 4.123 ( 1.625 2.574 -3.531) 4.662 4.291 ( -0.374 -1.917 -4.200) 4.632 4.519 ( 5.475 6.070 -1.032) 8.239 4.571 ( 1.293 2.987 -3.080) 4.481 5.023 ( -3.262 -2.734 1.532) 4.524 5.159 ( -1.757 -4.677 -0.097) 4.997 5.392 ( 9.563 3.886 7.864) 12.977 5.449 ( -3.263 -2.721 2.183) 4.777 5.491 ( 0.940 -3.706 1.105) 3.980 5.640 ( 5.343 -7.743 4.105) 10.264 5.824 ( -0.123 4.787 -1.584) 5.044 5.907 ( -3.051 0.136 1.178) 3.273 6.237 ( -4.588 7.200 1.741) 8.713 6.428 ( -2.734 -0.973 -2.249) 3.672 8.653 ( 4.795 10.103 -0.736) 11.207 8.770 ( -3.590 6.855 0.097) 7.738 8.884 ( 4.087 -0.810 2.981) 5.123 9.147 ( -0.707 -9.498 -2.525) 9.854 9.362 ( 1.718 2.965 -3.136) 4.645 9.464 ( 2.820 -1.380 -5.892) 6.676 9.889 ( -2.370 3.452 0.183) 4.192 9.954 ( 2.240 -0.483 -2.169) 3.155 10.373 ( 2.863 9.307 4.005) 10.529 10.527 ( -9.696 5.614 4.230) 11.976 10.815 ( -0.935 -9.555 3.905) 10.365 10.885 ( -9.098 -11.001 6.109) 15.528 11.331 ( 4.027 3.878 -4.892) 7.429 11.435 ( 2.518 -1.113 -8.163) 8.615 11.728 ( 1.851 2.985 -3.533) 4.982 11.845 ( -7.613 -1.922 -3.204) 8.480 12.220 ( 2.250 3.377 6.286) 7.482 12.323 ( -2.609 -0.453 6.468) 6.989 12.713 ( 1.681 3.457 -0.927) 3.955 12.833 ( 0.068 -1.321 -2.686) 2.994 20.469 ( -1.305 1.163 5.715) 5.976 20.576 ( -1.205 -4.790 5.452) 7.357 20.856 ( 2.784 3.070 -7.743) 8.782 21.010 ( 1.837 -5.089 -10.188) 11.535 21.678 ( 4.805 4.342 7.700) 10.062 21.834 ( 8.119 -2.460 8.301) 11.869 22.066 ( 0.331 5.513 0.205) 5.527 22.191 ( 5.258 1.183 0.661) 5.430 22.554 ( 6.406 2.484 0.094) 6.871 22.745 ( 3.891 -5.342 -3.850) 7.649 22.922 ( -7.816 4.614 0.880) 9.119 23.044 ( -8.874 -0.957 0.247) 8.929 23.477 ( 0.027 2.550 2.910) 3.869 23.607 ( 3.079 -3.607 4.176) 6.319 23.750 ( -4.658 7.081 -4.226) 9.471 24.115 ( -3.345 -10.454 -9.778) 14.699 ======================= Grid point 151 (81/110) ======================= q-point: (-0.43 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -2.930 6.209 3.508) 7.710 1.091 ( -3.748 4.382 1.101) 5.871 1.184 ( -3.359 3.506 -0.752) 4.914 1.267 ( 2.397 2.172 -3.323) 4.637 1.320 ( 6.437 -4.653 -1.849) 8.155 1.390 ( 0.125 -0.672 -4.563) 4.614 1.462 ( -4.846 -3.177 0.478) 5.814 1.504 ( -5.743 -0.804 -1.177) 5.918 1.615 ( 5.225 -0.666 1.722) 5.541 1.659 ( 1.110 -0.112 -1.940) 2.238 1.801 ( 0.187 3.204 1.381) 3.494 1.832 ( 0.865 -2.342 1.501) 2.913 1.887 ( 0.544 -3.135 -2.313) 3.933 1.925 ( 2.372 2.318 -6.397) 7.206 2.134 ( -3.056 3.365 2.913) 5.399 2.329 ( 1.065 -1.872 -4.794) 5.255 2.563 ( -0.151 4.734 1.598) 4.998 2.586 ( -0.613 0.660 -0.249) 0.934 2.655 ( -3.722 -2.296 4.796) 6.490 2.763 ( -1.551 -7.546 0.258) 7.708 2.876 ( 1.329 -6.223 -2.652) 6.894 2.982 ( 2.656 -7.687 -4.521) 9.305 3.152 ( -2.459 -1.831 4.923) 5.800 3.237 ( -3.878 -5.787 0.372) 6.977 3.575 ( 2.589 2.144 2.807) 4.380 3.646 ( -0.635 -2.446 -0.693) 2.621 3.799 ( 0.340 4.999 -0.014) 5.011 3.914 ( 0.135 -1.737 -1.529) 2.318 4.160 ( 3.773 5.416 -1.916) 6.872 4.265 ( 2.237 0.747 -7.068) 7.451 4.466 ( -7.340 4.208 0.304) 8.466 4.586 ( -1.756 0.955 -1.310) 2.390 4.968 ( -3.636 -3.056 2.888) 5.559 5.147 ( 1.188 -7.165 0.374) 7.273 5.377 ( -6.485 -2.666 3.476) 7.826 5.456 ( -4.763 -6.516 2.269) 8.384 5.577 ( 0.592 4.359 3.091) 5.377 5.752 ( 2.256 -2.052 -1.151) 3.259 5.867 ( 6.186 1.285 -1.200) 6.431 5.921 ( 5.811 0.264 1.341) 5.970 6.201 ( -1.572 6.522 4.861) 8.284 6.358 ( -1.534 0.399 -2.806) 3.223 8.646 ( -6.112 8.688 -0.405) 10.630 8.763 ( 5.112 9.542 0.324) 10.830 9.000 ( 0.264 -4.702 1.827) 5.051 9.080 ( 0.136 -6.962 -2.840) 7.520 9.349 ( -0.415 3.111 -3.119) 4.425 9.445 ( 1.834 -0.538 -7.643) 7.879 9.828 ( -5.144 3.449 3.815) 7.274 9.958 ( -0.540 -1.652 -0.837) 1.929 10.361 ( -8.165 6.912 2.805) 11.059 10.532 ( 7.789 7.902 4.707) 12.053 10.785 ( -4.773 -12.218 5.853) 14.364 10.932 ( 5.710 -9.980 5.403) 12.705 11.363 ( 4.012 3.943 -6.213) 8.381 11.411 ( 2.949 1.154 -10.375) 10.847 11.674 ( -6.979 0.871 0.265) 7.038 11.742 ( 0.591 -1.680 0.803) 1.954 12.330 ( 3.798 3.474 5.666) 7.655 12.343 ( 1.120 3.161 1.999) 3.904 12.734 ( 0.551 1.605 -0.184) 1.707 12.799 ( -1.220 -1.114 -3.174) 3.579 20.490 ( -1.882 0.895 5.817) 6.179 20.590 ( -2.134 -4.755 5.078) 7.277 20.839 ( 1.850 1.639 -6.400) 6.861 20.955 ( 1.314 -4.688 -8.928) 10.169 21.792 ( -2.263 5.361 6.830) 8.973 21.919 ( -3.252 3.732 -1.540) 5.184 22.073 ( -4.244 -1.339 4.954) 6.659 22.159 ( -1.148 -0.471 0.305) 1.278 22.664 ( -10.372 1.780 -4.096) 11.293 22.694 ( -1.573 -0.341 -0.985) 1.887 22.894 ( 3.611 2.912 1.923) 5.021 22.956 ( 9.385 -0.569 2.234) 9.664 23.541 ( 3.100 3.770 4.049) 6.341 23.655 ( -0.540 5.171 -5.467) 7.545 23.733 ( 3.663 -5.237 7.470) 9.831 23.953 ( -3.797 -8.953 -11.167) 14.808 ======================= Grid point 152 (82/110) ======================= q-point: (-0.29 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -6.086 8.619 -3.545) 11.131 1.049 ( -3.388 7.049 1.518) 7.967 1.185 ( -0.155 4.721 5.968) 7.611 1.242 ( -1.863 -2.792 -1.581) 3.710 1.323 ( -0.751 -7.448 -7.310) 10.463 1.359 ( -1.214 2.325 -0.837) 2.753 1.422 ( 1.590 -0.764 1.241) 2.157 1.456 ( -1.233 -0.567 0.860) 1.606 1.686 ( 2.204 2.826 -0.829) 3.678 1.719 ( 1.838 -0.973 1.957) 2.856 1.794 ( -0.861 0.703 -0.355) 1.167 1.822 ( 0.279 -0.396 -4.774) 4.799 1.881 ( -0.772 1.819 0.557) 2.053 1.986 ( 5.630 -1.544 0.159) 5.840 2.090 ( -1.560 1.645 0.735) 2.383 2.300 ( 0.349 -0.705 -2.105) 2.248 2.497 ( -8.294 -3.583 1.298) 9.127 2.565 ( -2.628 3.935 -1.787) 5.058 2.644 ( -0.686 -5.129 6.257) 8.120 2.729 ( -0.162 -1.363 -3.275) 3.550 2.859 ( -1.301 -7.834 -4.040) 8.910 2.979 ( -0.351 -7.078 -0.714) 7.122 3.108 ( -3.037 -2.057 2.236) 4.296 3.217 ( 0.497 -5.503 3.029) 6.301 3.639 ( 0.884 2.615 1.764) 3.276 3.662 ( 0.267 2.058 1.464) 2.539 3.804 ( 2.651 3.829 -2.290) 5.190 3.864 ( -2.563 -1.715 -4.277) 5.273 4.137 ( -7.126 3.754 -3.087) 8.626 4.265 ( -1.691 -2.691 -1.388) 3.468 4.319 ( -2.913 3.436 0.175) 4.508 4.481 ( -4.315 -0.291 -0.833) 4.405 4.983 ( 2.506 0.556 3.009) 3.956 5.176 ( -1.913 -3.334 3.496) 5.196 5.261 ( -6.894 -1.261 1.393) 7.146 5.347 ( -9.039 -5.615 3.946) 11.349 5.540 ( -1.856 2.124 -1.582) 3.234 5.778 ( 3.201 -7.369 -3.355) 8.707 5.931 ( 3.578 3.031 -7.524) 8.866 6.048 ( 4.147 -1.870 -2.589) 5.234 6.277 ( 2.812 3.985 7.729) 9.139 6.360 ( 2.911 0.679 2.774) 4.078 8.534 ( -4.941 5.922 -0.076) 7.713 8.795 ( -3.939 -4.308 -1.979) 6.164 8.952 ( 2.024 5.340 -2.129) 6.094 9.121 ( 0.331 -2.776 1.238) 3.057 9.303 ( -1.089 4.253 -2.718) 5.164 9.432 ( 2.566 -1.460 -4.104) 5.056 9.768 ( -4.875 1.725 4.784) 7.045 9.904 ( -3.666 -3.778 -1.356) 5.436 10.334 ( 1.372 10.318 6.240) 12.136 10.672 ( -1.052 3.271 8.888) 9.529 10.826 ( 6.028 -4.120 1.622) 7.480 11.098 ( 6.341 -7.691 4.514) 10.943 11.331 ( -0.868 3.755 -9.484) 10.237 11.378 ( 3.944 1.013 -10.192) 10.975 11.613 ( -0.669 1.967 3.045) 3.686 11.784 ( 0.234 -4.655 5.899) 7.518 12.382 ( 2.310 5.056 -1.123) 5.672 12.479 ( 5.414 2.824 6.781) 9.124 12.703 ( -2.536 0.532 -5.830) 6.380 12.751 ( -0.098 -1.713 -0.532) 1.796 20.497 ( -2.577 0.452 5.514) 6.103 20.582 ( -3.678 -4.550 5.885) 8.299 20.817 ( 1.796 0.684 -6.079) 6.375 20.905 ( 0.964 -4.028 -7.707) 8.749 21.652 ( -11.734 3.616 0.681) 12.297 21.757 ( -13.186 -0.867 -2.742) 13.496 21.983 ( -3.115 6.612 2.622) 7.766 22.168 ( -4.727 -2.307 -4.068) 6.649 22.489 ( -2.727 0.360 -0.276) 2.765 22.558 ( -4.827 -3.459 1.179) 6.055 23.069 ( 7.190 4.814 1.599) 8.799 23.195 ( 9.447 -1.039 2.976) 9.959 23.590 ( -0.577 2.723 -4.322) 5.141 23.643 ( 1.528 1.564 0.760) 2.315 23.814 ( 1.123 -2.273 -5.098) 5.693 23.893 ( 4.792 -4.642 8.495) 10.802 ======================= Grid point 153 (83/110) ======================= q-point: (-0.14 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.617 10.219 -2.045) 10.440 1.009 ( -0.161 6.814 0.253) 6.821 1.170 ( -2.567 -3.208 -2.408) 4.762 1.226 ( -0.324 -3.074 0.367) 3.113 1.294 ( -1.723 4.529 -4.220) 6.426 1.341 ( 0.919 0.555 4.092) 4.231 1.437 ( -0.274 -0.368 -1.562) 1.628 1.464 ( 2.168 1.625 1.550) 3.122 1.640 ( -1.851 6.367 -5.541) 8.641 1.693 ( -3.257 1.886 -1.241) 3.963 1.787 ( -1.059 -2.369 -0.002) 2.594 1.822 ( 2.318 -3.231 -1.900) 4.407 1.887 ( -0.969 0.666 3.299) 3.502 2.083 ( 1.801 -1.919 1.294) 2.933 2.119 ( 3.630 -1.315 -0.017) 3.861 2.274 ( -4.881 -4.562 1.886) 6.943 2.369 ( -1.747 2.838 0.546) 3.377 2.505 ( -0.556 4.367 0.775) 4.470 2.614 ( -4.121 1.544 0.680) 4.453 2.754 ( 1.850 -4.272 -0.262) 4.663 2.820 ( -2.101 -6.122 1.071) 6.560 2.938 ( -0.968 -5.911 -3.041) 6.718 3.100 ( -0.469 -3.973 2.773) 4.867 3.276 ( 3.952 -9.844 -1.515) 10.716 3.552 ( -9.225 5.192 1.257) 10.660 3.645 ( -5.607 3.828 -8.888) 11.184 3.786 ( 3.591 -2.097 0.874) 4.249 3.864 ( -2.813 4.999 0.474) 5.756 3.950 ( -1.546 -5.194 -1.027) 5.515 4.113 ( -10.627 -4.132 3.392) 11.896 4.391 ( 7.315 3.514 1.396) 8.235 4.540 ( 8.150 -1.164 2.219) 8.526 5.029 ( -4.608 1.471 0.097) 4.838 5.116 ( -1.658 0.585 2.886) 3.379 5.164 ( -6.881 -1.842 -1.243) 7.231 5.203 ( -6.872 -2.349 2.180) 7.583 5.523 ( 0.695 2.302 1.492) 2.830 5.828 ( 5.704 -9.066 -6.543) 12.551 5.895 ( -0.552 1.442 -4.067) 4.351 6.022 ( -1.386 -3.187 -6.237) 7.139 6.391 ( 2.912 2.383 4.473) 5.845 6.471 ( 2.848 -1.437 4.504) 5.520 8.467 ( -2.223 2.759 1.078) 3.704 8.677 ( -3.899 -7.875 -2.857) 9.241 8.973 ( 0.354 8.013 -1.630) 8.185 9.105 ( -1.727 -0.969 -0.555) 2.057 9.289 ( 0.757 3.514 0.238) 3.603 9.453 ( 2.383 -3.836 -3.453) 5.685 9.738 ( -2.198 1.856 4.943) 5.720 9.840 ( -1.492 -2.347 -0.421) 2.813 10.470 ( 4.647 10.292 8.006) 13.843 10.680 ( -5.293 4.101 8.458) 10.787 10.976 ( 7.246 3.301 0.774) 8.000 11.209 ( 0.055 2.737 -2.103) 3.452 11.245 ( 0.189 -1.616 -0.840) 1.831 11.381 ( 5.408 -3.901 -7.457) 10.004 11.668 ( 3.778 0.856 0.626) 3.924 11.829 ( -1.516 -5.019 5.934) 7.918 12.388 ( -1.100 3.882 -0.500) 4.066 12.561 ( -5.836 0.457 -6.786) 8.962 12.622 ( 2.585 1.238 6.319) 6.938 12.790 ( 5.578 -2.430 -3.307) 6.925 20.490 ( -2.956 -0.211 5.361) 6.125 20.549 ( -5.977 -3.793 7.442) 10.271 20.816 ( 4.069 -0.218 -6.445) 7.625 20.855 ( 1.212 -2.391 -7.474) 7.940 21.444 ( -9.257 1.393 1.166) 9.433 21.508 ( -8.892 -1.694 -1.829) 9.235 21.903 ( -5.607 5.810 -1.145) 8.155 21.982 ( -5.062 2.255 -9.064) 10.624 22.500 ( 2.262 -1.095 2.067) 3.254 22.582 ( 0.788 -4.744 6.942) 8.445 23.114 ( -1.438 3.996 -4.522) 6.204 23.250 ( -2.730 -2.563 -6.033) 7.101 23.586 ( 2.983 1.268 0.084) 3.243 23.644 ( 1.878 -1.503 0.231) 2.417 23.956 ( 9.554 2.552 4.861) 11.019 24.044 ( 2.325 -2.295 8.169) 8.798 ======================= Grid point 154 (84/110) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 3.049 -4.752 -3.107) 6.444 1.016 ( 3.049 4.752 -3.107) 6.444 1.154 ( 0.637 -3.677 -0.065) 3.732 1.154 ( 0.637 3.677 -0.065) 3.732 1.289 ( -1.447 -3.408 -5.863) 6.934 1.289 ( -1.447 3.408 -5.863) 6.934 1.527 ( 2.433 -3.546 2.102) 4.787 1.527 ( 2.433 3.546 2.102) 4.787 1.618 ( -3.201 -1.990 -1.320) 3.994 1.618 ( -3.201 1.990 -1.320) 3.994 1.744 ( 1.092 -4.269 -2.512) 5.072 1.744 ( 1.092 4.269 -2.512) 5.072 2.049 ( 1.973 -4.675 4.005) 6.464 2.049 ( 1.973 4.675 4.005) 6.464 2.170 ( 0.830 -0.503 -0.118) 0.978 2.170 ( 0.830 0.503 -0.118) 0.978 2.480 ( -2.738 -4.451 5.070) 7.281 2.480 ( -2.738 4.451 5.070) 7.281 2.672 ( 0.415 -5.915 2.384) 6.391 2.672 ( 0.415 5.915 2.384) 6.391 2.823 ( 2.579 -7.525 -3.487) 8.685 2.823 ( 2.579 7.525 -3.487) 8.685 3.117 ( -0.349 -5.176 -0.652) 5.228 3.117 ( -0.349 5.176 -0.652) 5.228 3.435 ( -3.569 -2.008 -5.635) 6.965 3.435 ( -3.569 2.008 -5.635) 6.965 3.874 ( -5.079 -3.112 0.272) 5.963 3.874 ( -5.079 3.112 0.272) 5.963 3.948 ( 6.497 -1.413 1.243) 6.764 3.948 ( 6.497 1.413 1.243) 6.764 4.675 ( 8.674 -3.218 5.027) 10.529 4.675 ( 8.674 3.218 5.027) 10.529 4.947 ( -6.888 -4.362 -1.728) 8.334 4.947 ( -6.888 4.362 -1.728) 8.334 5.101 ( -3.418 -0.621 0.348) 3.491 5.101 ( -3.418 0.621 0.348) 3.491 5.710 ( 2.349 -7.456 1.295) 7.924 5.710 ( 2.349 7.456 1.295) 7.924 5.874 ( -0.098 -3.374 -6.300) 7.148 5.874 ( -0.098 3.374 -6.300) 7.148 6.470 ( -1.290 -1.327 2.538) 3.141 6.470 ( -1.290 1.327 2.538) 3.141 8.516 ( 1.143 -3.809 -0.505) 4.009 8.516 ( 1.143 3.809 -0.505) 4.009 9.044 ( -1.432 -2.030 -0.753) 2.596 9.044 ( -1.432 2.030 -0.753) 2.596 9.367 ( 1.509 -3.641 -2.514) 4.675 9.367 ( 1.509 3.641 -2.514) 4.675 9.814 ( 1.087 -1.602 2.355) 3.048 9.814 ( 1.087 1.602 2.355) 3.048 10.719 ( -2.902 -1.912 9.621) 10.229 10.719 ( -2.902 1.912 9.621) 10.229 11.160 ( -2.452 -1.428 -4.605) 5.409 11.160 ( -2.452 1.428 -4.605) 5.409 11.303 ( 4.191 -6.502 2.519) 8.135 11.303 ( 4.191 6.502 2.519) 8.135 11.764 ( 3.039 -4.068 -3.206) 6.005 11.764 ( 3.039 4.068 -3.206) 6.005 12.367 ( -6.910 -1.915 1.636) 7.355 12.367 ( -6.910 1.915 1.636) 7.355 12.776 ( 3.262 -4.678 -1.919) 6.017 12.776 ( 3.262 4.678 -1.919) 6.017 20.472 ( -4.075 -0.440 6.279) 7.498 20.472 ( -4.075 0.440 6.279) 7.498 20.849 ( 6.610 -1.945 -7.572) 10.237 20.849 ( 6.610 1.945 -7.572) 10.237 21.368 ( -2.120 -1.185 1.227) 2.722 21.368 ( -2.120 1.185 1.227) 2.722 21.874 ( -1.783 -2.024 -3.992) 4.817 21.874 ( -1.783 2.024 -3.992) 4.817 22.588 ( 2.499 -1.877 3.803) 4.923 22.588 ( 2.499 1.877 3.803) 4.923 23.058 ( -3.983 -2.178 -5.376) 7.036 23.058 ( -3.983 2.178 -5.376) 7.036 23.673 ( 1.060 -0.661 1.119) 1.677 23.673 ( 1.060 0.661 1.119) 1.677 24.126 ( 1.833 -1.828 4.531) 5.219 24.126 ( 1.833 1.828 4.531) 5.219 ======================= Grid point 156 (85/110) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 3.195 -4.470 -5.422) 7.719 1.049 ( 3.195 4.470 -5.422) 7.719 1.138 ( -0.578 -4.615 -1.060) 4.770 1.138 ( -0.578 4.615 -1.060) 4.770 1.285 ( 4.500 -3.644 -0.755) 5.839 1.285 ( 4.500 3.644 -0.755) 5.839 1.560 ( -0.511 -4.022 3.216) 5.175 1.560 ( -0.511 4.022 3.216) 5.175 1.592 ( 1.100 -1.812 -2.230) 3.076 1.592 ( 1.100 1.812 -2.230) 3.076 1.764 ( 2.827 -3.334 -2.671) 5.123 1.764 ( 2.827 3.334 -2.671) 5.123 2.047 ( -2.319 -2.563 0.641) 3.516 2.047 ( -2.319 2.563 0.641) 3.516 2.241 ( 3.733 -3.486 0.551) 5.137 2.241 ( 3.733 3.486 0.551) 5.137 2.490 ( -1.775 -4.291 5.717) 7.365 2.490 ( -1.775 4.291 5.717) 7.365 2.679 ( -0.164 -4.039 -1.469) 4.301 2.679 ( -0.164 4.039 -1.469) 4.301 2.835 ( 2.713 -6.615 -4.139) 8.261 2.835 ( 2.713 6.615 -4.139) 8.261 3.090 ( -1.808 -3.632 2.077) 4.558 3.090 ( -1.808 3.632 2.077) 4.558 3.479 ( 8.574 -1.418 -1.258) 8.781 3.479 ( 8.574 1.418 -1.258) 8.781 3.780 ( -3.603 -3.095 0.267) 4.757 3.780 ( -3.603 3.095 0.267) 4.757 4.109 ( 8.965 -3.504 -0.799) 9.659 4.109 ( 8.965 3.504 -0.799) 9.659 4.677 ( -8.830 -7.634 -4.925) 12.669 4.677 ( -8.830 7.634 -4.925) 12.669 4.968 ( 8.542 -1.846 4.989) 10.063 4.968 ( 8.542 1.846 4.989) 10.063 5.094 ( 0.767 -1.966 3.594) 4.168 5.094 ( 0.767 1.966 3.594) 4.168 5.679 ( -4.387 -3.849 -2.478) 6.341 5.679 ( -4.387 3.849 -2.478) 6.341 5.869 ( 2.422 -5.658 -2.308) 6.573 5.869 ( 2.422 5.658 -2.308) 6.573 6.452 ( -2.533 -1.861 2.615) 4.089 6.452 ( -2.533 1.861 2.615) 4.089 8.568 ( 4.887 -2.502 -1.527) 5.699 8.568 ( 4.887 2.502 -1.527) 5.699 9.023 ( -0.769 -0.787 0.921) 1.434 9.023 ( -0.769 0.787 0.921) 1.434 9.382 ( 2.302 -1.507 -2.573) 3.767 9.382 ( 2.302 1.507 -2.573) 3.767 9.856 ( 2.248 -0.670 -0.081) 2.347 9.856 ( 2.248 0.670 -0.081) 2.347 10.696 ( -7.404 -4.229 8.334) 11.923 10.696 ( -7.404 4.229 8.334) 11.923 11.041 ( -7.003 -2.101 -1.235) 7.415 11.041 ( -7.003 2.101 -1.235) 7.415 11.371 ( 2.181 -5.392 -1.639) 6.043 11.371 ( 2.181 5.392 -1.639) 6.043 11.813 ( 5.492 -7.389 -4.563) 10.276 11.813 ( 5.492 7.389 -4.563) 10.276 12.270 ( -6.494 -3.804 6.119) 9.699 12.270 ( -6.494 3.804 6.119) 9.699 12.798 ( 1.360 -4.310 -2.761) 5.296 12.798 ( 1.360 4.310 -2.761) 5.296 20.462 ( -2.356 -1.491 5.821) 6.455 20.462 ( -2.356 1.491 5.821) 6.455 20.922 ( 7.783 -4.400 -9.591) 13.112 20.922 ( 7.783 4.400 -9.591) 13.112 21.400 ( 3.356 -1.084 3.216) 4.773 21.400 ( 3.356 1.084 3.216) 4.773 21.876 ( 4.340 -3.381 -0.493) 5.523 21.876 ( 4.340 3.381 -0.493) 5.523 22.642 ( 1.016 -3.450 -0.598) 3.645 22.642 ( 1.016 3.450 -0.598) 3.645 23.000 ( 0.439 -1.791 1.246) 2.226 23.000 ( 0.439 1.791 1.246) 2.226 23.646 ( -4.016 -1.645 -0.381) 4.357 23.646 ( -4.016 1.645 -0.381) 4.357 24.146 ( -2.187 -5.922 0.689) 6.350 24.146 ( -2.187 5.922 0.689) 6.350 ======================= Grid point 158 (86/110) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 3.329 -7.265 -5.964) 9.972 1.051 ( 3.329 7.265 -5.964) 9.972 1.154 ( 1.992 -2.608 0.580) 3.333 1.154 ( 1.992 2.608 0.580) 3.333 1.390 ( 4.120 -1.598 1.036) 4.539 1.390 ( 4.120 1.598 1.036) 4.539 1.554 ( -0.943 -5.208 -0.814) 5.355 1.554 ( -0.943 5.209 -0.814) 5.355 1.608 ( 0.753 -1.328 0.222) 1.542 1.608 ( 0.753 1.328 0.222) 1.542 1.784 ( 0.763 -3.760 -1.178) 4.014 1.784 ( 0.763 3.760 -1.178) 4.014 2.031 ( 0.348 -4.227 -3.078) 5.241 2.031 ( 0.348 4.227 -3.078) 5.241 2.284 ( 3.418 -8.511 -0.639) 9.194 2.284 ( 3.418 8.511 -0.639) 9.194 2.460 ( -5.534 -11.567 3.581) 13.313 2.460 ( -5.534 11.567 3.581) 13.313 2.675 ( 0.976 -1.239 -0.935) 1.834 2.675 ( 0.976 1.239 -0.935) 1.834 2.870 ( 4.193 -4.704 -4.648) 7.830 2.870 ( 4.193 4.704 -4.648) 7.830 3.104 ( 0.407 -1.818 3.640) 4.090 3.104 ( 0.407 1.818 3.640) 4.090 3.599 ( 1.410 -3.622 2.079) 4.408 3.599 ( 1.410 3.622 2.079) 4.408 3.778 ( 3.262 -2.177 0.234) 3.929 3.778 ( 3.262 2.177 0.234) 3.929 4.223 ( 2.238 -5.068 -2.799) 6.207 4.223 ( 2.238 5.068 -2.799) 6.207 4.530 ( 1.405 -6.392 -3.434) 7.390 4.530 ( 1.405 6.392 -3.434) 7.390 5.113 ( -0.204 -3.236 1.063) 3.412 5.113 ( -0.204 3.236 1.063) 3.412 5.218 ( 9.094 -3.592 7.371) 12.244 5.218 ( 9.094 3.592 7.371) 12.244 5.547 ( -5.382 -3.716 -3.381) 7.363 5.547 ( -5.382 3.716 -3.381) 7.363 5.893 ( 0.786 -3.761 0.180) 3.846 5.893 ( 0.786 3.761 0.180) 3.846 6.419 ( -3.140 -4.151 1.953) 5.559 6.419 ( -3.140 4.151 1.953) 5.559 8.668 ( 6.851 -2.567 -1.625) 7.494 8.668 ( 6.851 2.567 -1.625) 7.494 9.016 ( -1.542 -4.457 1.104) 4.843 9.016 ( -1.542 4.457 1.104) 4.843 9.405 ( 2.489 -1.693 -2.925) 4.197 9.405 ( 2.489 1.693 -2.925) 4.197 9.904 ( 3.689 -0.192 -2.287) 4.345 9.904 ( 3.689 0.192 -2.287) 4.345 10.611 ( -7.323 -8.043 7.205) 13.047 10.611 ( -7.323 8.043 7.205) 13.047 10.871 ( -10.600 -3.911 1.456) 11.392 10.871 ( -10.600 3.911 1.456) 11.392 11.383 ( 2.888 -4.131 -5.269) 7.292 11.383 ( 2.888 4.131 -5.269) 7.292 11.853 ( 1.996 -7.622 -5.394) 9.548 11.853 ( 1.996 7.622 -5.394) 9.548 12.238 ( -3.608 -5.049 9.515) 11.360 12.238 ( -3.608 5.049 9.515) 11.360 12.791 ( 0.793 -3.981 -2.843) 4.956 12.791 ( 0.793 3.981 -2.843) 4.956 20.479 ( -1.245 -2.285 5.487) 6.072 20.479 ( -1.245 2.285 5.487) 6.072 20.951 ( 4.453 -4.668 -10.687) 12.483 20.951 ( 4.453 4.668 -10.687) 12.483 21.552 ( 7.415 -2.156 6.819) 10.302 21.552 ( 7.415 2.156 6.819) 10.302 22.017 ( 8.888 -3.680 1.448) 9.728 22.017 ( 8.888 3.680 1.448) 9.728 22.622 ( 0.107 -5.853 -4.205) 7.208 22.622 ( 0.107 5.853 -4.205) 7.208 23.056 ( 0.021 -3.230 4.959) 5.918 23.056 ( 0.021 3.230 4.959) 5.918 23.548 ( -4.348 -2.199 -0.011) 4.873 23.548 ( -4.348 2.199 -0.011) 4.873 24.060 ( -4.923 -8.555 -3.828) 10.587 24.060 ( -4.923 8.555 -3.828) 10.587 ======================= Grid point 160 (87/110) ======================= q-point: (-0.57 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 4.238 -5.088 -3.120) 7.320 1.087 ( 4.238 5.088 -3.120) 7.320 1.202 ( 1.885 -1.803 0.651) 2.689 1.202 ( 1.885 1.803 0.651) 2.689 1.396 ( -2.881 -2.194 -0.599) 3.671 1.396 ( -2.881 2.194 -0.599) 3.671 1.548 ( -0.142 -3.788 -1.058) 3.935 1.548 ( -0.142 3.788 -1.058) 3.935 1.606 ( 0.029 -2.243 -1.549) 2.726 1.606 ( 0.029 2.243 -1.549) 2.726 1.787 ( 0.050 -4.514 1.770) 4.849 1.787 ( 0.050 4.514 1.770) 4.849 1.959 ( -1.120 -5.684 -7.786) 9.705 1.959 ( -1.120 5.684 -7.786) 9.705 2.312 ( -2.874 -6.001 -1.295) 6.779 2.312 ( -2.874 6.001 -1.295) 6.779 2.492 ( 6.439 -2.230 5.626) 8.837 2.492 ( 6.439 2.230 5.626) 8.837 2.661 ( -2.442 -1.213 0.445) 2.763 2.661 ( -2.442 1.213 0.445) 2.763 2.884 ( 2.114 -5.437 -6.635) 8.835 2.884 ( 2.114 5.437 -6.635) 8.835 3.153 ( 0.188 -2.683 4.951) 5.634 3.153 ( 0.188 2.683 4.951) 5.634 3.603 ( -0.628 -3.974 -0.102) 4.025 3.603 ( -0.628 3.974 -0.102) 4.025 3.846 ( 1.960 -2.612 1.633) 3.651 3.846 ( 1.960 2.612 1.633) 3.651 4.208 ( 1.546 -5.367 -2.164) 5.990 4.208 ( 1.546 5.367 -2.164) 5.990 4.604 ( 3.633 -1.831 -0.813) 4.149 4.604 ( 3.633 1.831 -0.813) 4.149 5.047 ( -3.937 -5.171 -3.319) 7.298 5.047 ( -3.937 5.171 -3.319) 7.298 5.432 ( -1.543 -1.390 1.433) 2.524 5.432 ( -1.543 1.390 1.433) 2.524 5.494 ( 7.420 -6.199 7.519) 12.248 5.494 ( 7.420 6.199 7.519) 12.248 5.893 ( -0.617 -1.937 -0.653) 2.135 5.893 ( -0.617 1.937 -0.653) 2.135 6.365 ( -3.380 -5.099 0.519) 6.140 6.365 ( -3.380 5.099 0.519) 6.140 8.794 ( 6.515 -3.640 -0.442) 7.476 8.794 ( 6.515 3.640 -0.442) 7.476 8.968 ( -3.538 -7.765 -0.138) 8.534 8.968 ( -3.538 7.765 -0.138) 8.534 9.421 ( 2.333 -2.737 -4.440) 5.714 9.421 ( 2.333 2.737 -4.440) 5.714 9.938 ( 0.983 -1.435 -1.703) 2.434 9.938 ( 0.983 1.435 -1.703) 2.434 10.591 ( 0.070 -10.851 5.984) 12.392 10.591 ( 0.070 10.851 5.984) 12.392 10.678 ( -10.837 -7.859 3.407) 13.814 10.678 ( -10.837 7.859 3.407) 13.814 11.399 ( 3.903 -2.700 -6.095) 7.725 11.399 ( 3.903 2.700 -6.095) 7.725 11.794 ( -2.903 -3.184 -4.262) 6.061 11.794 ( -2.903 3.184 -4.262) 6.061 12.287 ( 0.118 -2.946 7.942) 8.471 12.287 ( 0.118 2.946 7.942) 8.471 12.784 ( 0.676 -3.304 -2.282) 4.072 12.784 ( 0.676 3.304 -2.282) 4.072 20.503 ( -1.340 -2.475 5.469) 6.151 20.503 ( -1.340 2.475 5.469) 6.151 20.923 ( 2.420 -3.702 -9.733) 10.691 20.923 ( 2.420 3.702 -9.733) 10.691 21.764 ( 6.391 -4.136 9.071) 11.842 21.764 ( 6.391 4.136 9.071) 11.842 22.162 ( 2.496 -3.689 -0.071) 4.454 22.162 ( 2.496 3.689 -0.071) 4.454 22.636 ( 6.217 -5.259 -2.201) 8.435 22.636 ( 6.217 5.259 -2.201) 8.435 23.003 ( -8.280 -3.152 1.014) 8.918 23.003 ( -8.280 3.152 1.014) 8.918 23.536 ( 1.242 -3.278 3.623) 5.041 23.536 ( 1.242 3.278 3.623) 5.041 23.916 ( -4.334 -9.242 -7.042) 12.401 23.916 ( -4.334 9.242 -7.042) 12.401 ======================= Grid point 162 (88/110) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 2.312 -3.673 -1.990) 4.775 1.136 ( 2.312 3.673 -1.990) 4.775 1.223 ( -0.437 -0.709 0.437) 0.940 1.223 ( -0.437 0.709 0.437) 0.940 1.328 ( -3.217 -3.385 -0.617) 4.710 1.328 ( -3.217 3.385 -0.617) 4.710 1.474 ( -4.060 -2.238 -1.140) 4.774 1.474 ( -4.060 2.238 -1.140) 4.774 1.633 ( 3.706 -1.939 -0.625) 4.229 1.633 ( 3.706 1.939 -0.625) 4.229 1.805 ( -0.243 -1.098 0.548) 1.251 1.805 ( -0.243 1.098 0.548) 1.251 1.922 ( 3.002 -3.374 -4.013) 6.042 1.922 ( 3.002 3.374 -4.013) 6.042 2.249 ( -1.829 -6.503 -1.003) 6.829 2.249 ( -1.829 6.503 -1.003) 6.829 2.584 ( -6.126 -0.404 1.937) 6.438 2.584 ( -6.126 0.404 1.937) 6.438 2.644 ( 2.799 -2.362 3.332) 4.951 2.644 ( 2.799 2.362 3.332) 4.951 2.858 ( 2.371 -4.963 -7.158) 9.028 2.858 ( 2.371 4.963 -7.158) 9.028 3.164 ( -3.299 -2.107 3.876) 5.508 3.164 ( -3.299 2.107 3.876) 5.508 3.609 ( 1.884 -1.493 0.156) 2.409 3.609 ( 1.884 1.493 0.156) 2.409 3.878 ( 0.235 -2.589 0.543) 2.656 3.878 ( 0.235 2.589 0.543) 2.656 4.246 ( 3.600 -2.805 -3.784) 5.928 4.246 ( 3.600 2.805 -3.784) 5.928 4.566 ( -7.673 -4.110 1.294) 8.800 4.566 ( -7.673 4.110 1.294) 8.800 4.989 ( 1.635 -6.135 -2.229) 6.729 4.989 ( 1.635 6.135 -2.229) 6.729 5.367 ( -5.964 -2.025 3.940) 7.429 5.367 ( -5.964 2.025 3.940) 7.429 5.672 ( 1.048 -4.848 2.870) 5.731 5.672 ( 1.048 4.848 2.870) 5.731 5.907 ( 5.618 -1.716 -1.677) 6.109 5.907 ( 5.618 1.716 -1.677) 6.109 6.316 ( -2.105 -4.367 1.545) 5.088 6.316 ( -2.105 4.367 1.545) 5.088 8.804 ( -5.925 -6.146 -0.620) 8.559 8.804 ( -5.925 6.146 -0.620) 8.559 8.976 ( 5.418 -3.838 -0.498) 6.658 8.976 ( 5.418 3.838 -0.498) 6.658 9.410 ( 0.976 -2.675 -5.226) 5.952 9.410 ( 0.976 2.675 -5.226) 5.952 9.904 ( -3.852 -3.603 0.815) 5.337 9.904 ( -3.852 3.603 0.815) 5.337 10.545 ( -5.774 -11.088 5.226) 13.549 10.545 ( -5.774 11.088 5.226) 13.549 10.720 ( 7.420 -10.498 4.438) 13.600 10.720 ( 7.420 10.498 4.438) 13.600 11.416 ( 3.751 -1.144 -8.178) 9.070 11.416 ( 3.751 1.144 -8.178) 9.070 11.704 ( -3.704 -1.860 0.478) 4.173 11.704 ( -3.704 1.860 0.478) 4.173 12.372 ( 2.913 -0.555 4.878) 5.709 12.372 ( 2.913 0.555 4.878) 5.709 12.767 ( -0.643 -1.791 -2.299) 2.984 12.767 ( -0.643 1.791 -2.299) 2.984 20.519 ( -2.118 -2.294 5.576) 6.391 20.519 ( -2.118 2.294 5.576) 6.391 20.882 ( 1.703 -2.737 -8.381) 8.980 20.882 ( 1.703 2.737 -8.381) 8.980 21.896 ( -2.972 -4.502 5.912) 8.003 21.896 ( -2.972 4.502 5.912) 8.003 22.112 ( -2.835 -3.670 -0.434) 4.658 22.112 ( -2.835 3.670 -0.434) 4.658 22.686 ( -7.245 -0.589 -3.516) 8.075 22.686 ( -7.245 0.589 -3.516) 8.075 22.938 ( 7.711 -1.404 3.177) 8.457 22.938 ( 7.711 1.404 3.177) 8.457 23.625 ( 3.348 -4.588 5.281) 7.755 23.625 ( 3.348 4.588 5.281) 7.755 23.789 ( -1.963 -7.245 -7.660) 10.725 23.789 ( -1.963 7.245 -7.660) 10.725 ======================= Grid point 164 (89/110) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -1.261 -9.278 -6.448) 11.368 1.106 ( -1.261 9.278 -6.448) 11.368 1.177 ( -3.750 -3.743 -0.917) 5.377 1.177 ( -3.750 3.743 -0.917) 5.377 1.309 ( 0.525 -5.862 5.489) 8.048 1.309 ( 0.525 5.862 5.489) 8.048 1.444 ( 0.175 -1.952 -0.084) 1.961 1.444 ( 0.175 1.952 -0.084) 1.961 1.708 ( 2.870 -1.268 0.637) 3.201 1.708 ( 2.870 1.268 0.637) 3.201 1.790 ( -1.073 -1.512 -0.343) 1.885 1.790 ( -1.073 1.512 -0.343) 1.885 1.965 ( 4.454 -2.072 -4.135) 6.421 1.965 ( 4.454 2.072 -4.135) 6.421 2.202 ( -4.593 -8.826 1.153) 10.016 2.202 ( -4.593 8.826 1.153) 10.016 2.493 ( -2.732 -5.330 2.217) 6.386 2.493 ( -2.732 5.330 2.217) 6.386 2.657 ( -2.819 -3.492 1.424) 4.708 2.657 ( -2.819 3.492 1.424) 4.708 2.852 ( 1.899 -5.523 -5.056) 7.725 2.852 ( 1.899 5.523 -5.056) 7.725 3.128 ( -2.442 -3.488 2.353) 4.864 3.128 ( -2.442 3.488 2.353) 4.864 3.676 ( 3.863 -1.104 1.544) 4.304 3.676 ( 3.863 1.104 1.544) 4.304 3.849 ( -2.557 -1.201 -3.313) 4.354 3.849 ( -2.557 1.201 -3.313) 4.354 4.206 ( -6.725 -3.319 -3.138) 8.129 4.206 ( -6.725 3.319 -3.138) 8.129 4.425 ( -3.934 -5.415 1.098) 6.783 4.425 ( -3.934 5.415 1.098) 6.783 5.058 ( 4.513 -6.606 1.732) 8.185 5.058 ( 4.513 6.606 1.732) 8.185 5.264 ( -8.887 -2.201 4.877) 10.374 5.264 ( -8.887 2.201 4.877) 10.374 5.636 ( -0.990 -6.421 -3.684) 7.469 5.636 ( -0.990 6.421 -3.684) 7.469 5.997 ( 3.508 -3.154 -4.980) 6.860 5.997 ( 3.508 3.154 -4.980) 6.860 6.342 ( 1.841 -2.286 5.626) 6.345 6.342 ( 1.841 2.286 5.626) 6.345 8.660 ( -6.963 -6.840 -1.210) 9.835 8.660 ( -6.963 6.840 -1.210) 9.835 9.063 ( 3.152 -3.833 -0.666) 5.007 9.063 ( 3.152 3.833 -0.666) 5.007 9.381 ( 0.547 -3.388 -3.896) 5.192 9.381 ( 0.547 3.388 -3.896) 5.192 9.826 ( -4.750 -3.746 2.058) 6.390 9.826 ( -4.750 3.746 2.058) 6.390 10.554 ( 0.121 -10.774 7.991) 13.414 10.554 ( 0.121 10.774 7.991) 13.414 10.919 ( 9.193 -9.123 3.077) 13.312 10.919 ( 9.193 9.123 3.077) 13.312 11.380 ( 1.073 -1.160 -10.387) 10.506 11.380 ( 1.073 1.160 -10.387) 10.506 11.686 ( -0.669 -4.719 4.590) 6.617 11.686 ( -0.669 4.719 4.590) 6.617 12.474 ( 3.476 -3.219 2.578) 5.393 12.474 ( 3.476 3.219 2.578) 5.393 12.718 ( -1.566 -1.415 -2.852) 3.548 12.718 ( -1.566 1.415 -2.852) 3.548 20.518 ( -3.182 -1.931 5.747) 6.847 20.518 ( -3.182 1.931 5.747) 6.847 20.845 ( 1.563 -2.097 -7.203) 7.663 20.845 ( 1.563 2.097 -7.203) 7.663 21.718 ( -13.594 -2.763 -0.679) 13.889 21.718 ( -13.594 2.763 -0.679) 13.889 22.100 ( -2.698 -4.677 0.337) 5.410 22.100 ( -2.698 4.677 0.337) 5.410 22.505 ( -4.598 -1.649 -1.072) 5.002 22.505 ( -4.598 1.649 -1.072) 5.002 23.151 ( 7.797 -3.246 2.216) 8.731 23.151 ( 7.797 3.246 2.216) 8.731 23.638 ( -2.496 -1.881 -4.570) 5.536 23.638 ( -2.496 1.881 -4.570) 5.536 23.818 ( 6.729 -2.544 4.950) 8.732 23.818 ( 6.729 2.544 4.950) 8.732 ======================= Grid point 166 (90/110) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.328 -9.363 -5.571) 10.900 1.024 ( -0.328 9.363 -5.571) 10.900 1.137 ( -0.037 -5.536 0.304) 5.545 1.137 ( -0.037 5.536 0.304) 5.545 1.359 ( -0.988 -2.046 0.389) 2.305 1.359 ( -0.988 2.046 0.389) 2.305 1.453 ( 2.066 -3.019 0.999) 3.792 1.453 ( 2.066 3.019 0.999) 3.792 1.712 ( -2.138 -1.086 -2.694) 3.606 1.712 ( -2.138 1.086 -2.694) 3.606 1.762 ( -1.373 -2.529 -0.696) 2.960 1.762 ( -1.373 2.529 -0.696) 2.960 1.991 ( 0.930 -7.280 -0.662) 7.369 1.991 ( 0.930 7.280 -0.662) 7.369 2.152 ( -0.106 -4.674 2.438) 5.273 2.152 ( -0.106 4.674 2.438) 5.273 2.500 ( -1.556 -7.475 2.568) 8.055 2.500 ( -1.556 7.475 2.568) 8.055 2.632 ( -0.889 -5.990 4.795) 7.724 2.632 ( -0.889 5.990 4.795) 7.724 2.828 ( 0.346 -6.288 -4.364) 7.662 2.828 ( 0.346 6.288 -4.364) 7.662 3.117 ( 0.722 -5.662 -1.577) 5.922 3.117 ( 0.722 5.662 -1.577) 5.922 3.656 ( -10.945 -3.690 -3.101) 11.959 3.656 ( -10.945 3.690 -3.101) 11.959 3.805 ( 6.228 -4.667 -2.096) 8.060 3.805 ( 6.228 4.667 -2.096) 8.060 4.014 ( -9.418 -5.856 2.214) 11.309 4.014 ( -9.418 5.856 2.214) 11.309 4.478 ( 6.707 -4.540 2.221) 8.398 4.478 ( 6.707 4.540 2.221) 8.398 5.089 ( -6.581 -3.547 1.650) 7.655 5.089 ( -6.581 3.547 1.650) 7.655 5.157 ( -2.415 -2.361 1.328) 3.629 5.157 ( -2.415 2.361 1.328) 3.629 5.633 ( 3.553 -8.431 -1.559) 9.281 5.633 ( 3.553 8.431 -1.559) 9.281 5.955 ( -1.244 -3.465 -6.781) 7.716 5.955 ( -1.244 3.465 -6.781) 7.716 6.436 ( 1.839 -2.015 4.550) 5.305 6.436 ( 1.839 2.015 4.550) 5.305 8.545 ( -3.796 -5.192 -0.480) 6.449 8.545 ( -3.796 5.192 -0.480) 6.449 9.077 ( -0.214 -2.635 -1.875) 3.241 9.077 ( -0.214 2.635 -1.875) 3.241 9.367 ( 0.670 -4.310 -2.193) 4.882 9.367 ( 0.670 4.310 -2.193) 4.882 9.787 ( -1.248 -2.753 2.890) 4.182 9.787 ( -1.248 2.753 2.890) 4.182 10.649 ( 0.804 -6.483 9.461) 11.497 10.649 ( 0.804 6.483 9.461) 11.497 11.110 ( 7.635 -8.468 2.578) 11.689 11.110 ( 7.635 8.468 2.578) 11.689 11.296 ( -0.832 -3.938 -7.765) 8.746 11.296 ( -0.832 3.938 -7.765) 8.746 11.730 ( 1.426 -4.563 2.072) 5.210 11.730 ( 1.426 4.563 2.072) 5.210 12.482 ( -4.222 -5.162 -0.515) 6.689 12.482 ( -4.222 5.162 -0.515) 6.689 12.714 ( 3.620 -4.860 -1.326) 6.203 12.714 ( 3.620 4.860 -1.326) 6.203 20.499 ( -4.151 -1.297 6.157) 7.538 20.499 ( -4.151 1.297 6.157) 7.538 20.822 ( 2.789 -0.934 -6.790) 7.400 20.822 ( 2.789 0.934 -6.790) 7.400 21.474 ( -9.720 -1.590 -0.168) 9.851 21.474 ( -9.720 1.590 -0.168) 9.851 21.987 ( -5.041 -2.054 -4.942) 7.352 21.987 ( -5.041 2.054 -4.942) 7.352 22.508 ( 1.540 -2.172 4.097) 4.887 22.508 ( 1.540 2.172 4.097) 4.887 23.189 ( -2.417 -3.461 -5.401) 6.855 23.189 ( -2.417 3.461 -5.401) 6.855 23.614 ( 2.645 -1.487 0.389) 3.059 23.614 ( 2.645 1.487 0.389) 3.059 24.001 ( 5.795 -2.080 6.532) 8.977 24.001 ( 5.795 2.080 6.532) 8.977 ======================= Grid point 189 (91/110) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.185 0.000 -10.012) 10.014 0.763 ( -0.185 0.000 10.012) 10.014 0.967 ( 0.829 0.000 -12.366) 12.394 0.967 ( -0.829 0.000 12.366) 12.394 1.354 ( 3.997 0.000 -1.752) 4.364 1.354 ( -3.997 0.000 1.752) 4.364 1.451 ( -0.632 0.000 -0.153) 0.651 1.451 ( 0.632 0.000 0.153) 0.651 1.535 ( -0.611 0.000 -0.369) 0.714 1.535 ( 0.611 0.000 0.369) 0.714 1.818 ( -3.626 0.000 -10.133) 10.762 1.818 ( 3.626 0.000 10.133) 10.762 1.930 ( 2.692 0.000 -4.422) 5.177 1.930 ( -2.692 0.000 4.422) 5.177 2.152 ( -3.971 0.000 -3.809) 5.503 2.152 ( 3.971 0.000 3.809) 5.503 2.508 ( -3.768 0.000 -4.307) 5.723 2.508 ( 3.768 0.000 4.307) 5.723 2.656 ( -6.103 0.000 -5.249) 8.050 2.656 ( 6.103 0.000 5.249) 8.050 3.087 ( 3.258 0.000 -5.052) 6.011 3.087 ( -3.258 0.000 5.052) 6.011 3.317 ( -2.942 0.000 -3.452) 4.535 3.317 ( 2.942 0.000 3.452) 4.535 3.684 ( 0.891 0.000 -2.783) 2.923 3.684 ( -0.891 0.000 2.783) 2.923 3.941 ( 8.240 0.000 -4.568) 9.421 3.941 ( -8.240 0.000 4.568) 9.421 4.337 ( 2.827 0.000 -4.012) 4.908 4.337 ( -2.827 0.000 4.012) 4.908 4.677 ( -8.653 0.000 -14.707) 17.064 4.677 ( 8.653 0.000 14.707) 17.064 5.015 ( -7.015 0.000 -3.034) 7.643 5.015 ( 7.015 0.000 3.034) 7.643 5.209 ( 1.667 0.000 -3.196) 3.605 5.209 ( -1.667 0.000 3.196) 3.605 5.315 ( -5.490 0.000 -2.427) 6.002 5.315 ( 5.490 0.000 2.427) 6.002 6.194 ( -3.327 0.000 0.710) 3.402 6.194 ( 3.327 0.000 -0.710) 3.402 6.587 ( -1.658 0.000 -4.691) 4.975 6.587 ( 1.658 0.000 4.691) 4.975 8.474 ( 9.081 0.000 -3.754) 9.827 8.474 ( -9.081 0.000 3.754) 9.827 9.071 ( -10.061 0.000 1.743) 10.211 9.071 ( 10.061 0.000 -1.743) 10.211 9.363 ( -5.334 0.000 -6.148) 8.139 9.363 ( 5.334 0.000 6.148) 8.139 9.777 ( 2.612 0.000 -2.163) 3.392 9.777 ( -2.612 0.000 2.163) 3.392 10.240 ( 8.818 0.000 -3.000) 9.314 10.240 ( -8.818 0.000 3.000) 9.314 10.963 ( 1.839 0.000 -2.306) 2.949 10.963 ( -1.839 0.000 2.306) 2.949 11.383 ( -2.317 0.000 -4.257) 4.846 11.383 ( 2.317 0.000 4.257) 4.846 11.911 ( -0.909 0.000 -8.096) 8.147 11.911 ( 0.909 0.000 8.096) 8.147 12.401 ( -2.980 0.000 -10.718) 11.125 12.401 ( 2.980 0.000 10.718) 11.125 12.745 ( 2.849 0.000 -4.888) 5.658 12.745 ( -2.849 0.000 4.888) 5.658 20.681 ( -0.465 0.000 -6.760) 6.776 20.681 ( 0.465 0.000 6.760) 6.776 20.829 ( -17.088 0.000 5.241) 17.873 20.829 ( 17.088 0.000 -5.241) 17.873 21.370 ( 1.265 0.000 -3.937) 4.136 21.370 ( -1.265 0.000 3.937) 4.136 21.615 ( -0.565 0.000 -4.467) 4.503 21.615 ( 0.565 0.000 4.467) 4.503 22.778 ( -3.985 0.000 -5.683) 6.941 22.778 ( 3.985 0.000 5.683) 6.941 23.017 ( -1.531 0.000 -2.132) 2.624 23.017 ( 1.531 0.000 2.132) 2.624 23.645 ( 2.782 0.000 -3.615) 4.561 23.645 ( -2.782 0.000 3.615) 4.561 24.231 ( 18.441 0.000 -7.102) 19.762 24.231 ( -18.441 0.000 7.102) 19.762 ======================= Grid point 191 (92/110) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 4.043 0.000 -8.154) 9.101 0.848 ( 15.403 0.000 -7.322) 17.055 1.023 ( 8.078 0.000 0.387) 8.087 1.094 ( 2.160 0.000 9.139) 9.391 1.296 ( -1.473 0.000 0.319) 1.507 1.397 ( 0.411 0.000 1.911) 1.955 1.436 ( -2.389 0.000 0.465) 2.434 1.479 ( -0.276 0.000 4.032) 4.042 1.534 ( 1.900 0.000 -2.678) 3.283 1.573 ( 5.373 0.000 -1.847) 5.682 1.669 ( -0.874 0.000 -10.677) 10.713 1.928 ( -0.095 0.000 2.887) 2.889 1.975 ( 2.012 0.000 6.821) 7.112 1.997 ( 6.926 0.000 -1.077) 7.009 2.056 ( -4.571 0.000 0.134) 4.573 2.288 ( 3.412 0.000 9.639) 10.225 2.386 ( -3.532 0.000 -4.520) 5.737 2.400 ( -9.484 0.000 -9.287) 13.274 2.653 ( 5.084 0.000 2.323) 5.589 2.774 ( 4.027 0.000 -1.555) 4.317 3.066 ( -3.025 0.000 3.606) 4.707 3.109 ( 1.976 0.000 -1.359) 2.398 3.230 ( -3.467 0.000 -2.689) 4.388 3.396 ( 1.864 0.000 2.615) 3.211 3.635 ( -1.970 0.000 -3.185) 3.745 3.672 ( -0.589 0.000 0.404) 0.715 3.947 ( 4.398 0.000 3.378) 5.546 4.117 ( 12.185 0.000 -4.223) 12.896 4.293 ( -4.060 0.000 -11.563) 12.255 4.335 ( 0.547 0.000 2.507) 2.566 4.416 ( -1.486 0.000 -4.928) 5.147 4.610 ( -13.722 0.000 -1.786) 13.837 5.064 ( -1.086 0.000 5.107) 5.221 5.168 ( -0.790 0.000 -5.911) 5.963 5.239 ( 5.981 0.000 10.061) 11.704 5.273 ( 3.974 0.000 -2.475) 4.682 5.322 ( 8.794 0.000 12.511) 15.292 5.463 ( 6.928 0.000 3.427) 7.729 6.109 ( -6.618 0.000 2.806) 7.188 6.203 ( -2.117 0.000 -0.679) 2.223 6.439 ( -8.393 0.000 -5.111) 9.827 6.562 ( -6.620 0.000 0.327) 6.628 8.337 ( -8.080 0.000 4.181) 9.098 8.552 ( 1.057 0.000 -5.505) 5.605 8.986 ( -0.212 0.000 6.032) 6.035 9.181 ( -6.163 0.000 -6.557) 8.998 9.264 ( 9.716 0.000 -0.482) 9.728 9.451 ( -0.310 0.000 2.385) 2.405 9.797 ( 2.382 0.000 3.171) 3.965 9.838 ( 5.437 0.000 -3.365) 6.394 10.112 ( -7.072 0.000 2.343) 7.450 10.410 ( 9.248 0.000 2.136) 9.491 10.955 ( -0.360 0.000 0.862) 0.934 10.984 ( 2.670 0.000 -2.877) 3.925 11.312 ( -1.102 0.000 -4.513) 4.646 11.472 ( 2.564 0.000 4.639) 5.300 11.800 ( -2.688 0.000 -8.891) 9.289 11.975 ( -1.450 0.000 7.844) 7.977 12.235 ( -4.736 0.000 -10.380) 11.409 12.537 ( 1.671 0.000 9.917) 10.056 12.650 ( -9.506 0.000 -0.571) 9.523 12.723 ( 0.249 0.000 -4.148) 4.156 20.617 ( -8.492 0.000 7.537) 11.355 20.621 ( 0.320 0.000 -6.036) 6.045 20.821 ( 3.203 0.000 9.961) 10.464 21.207 ( 16.490 0.000 4.043) 16.978 21.395 ( 4.916 0.000 -3.703) 6.155 21.431 ( 6.900 0.000 4.512) 8.245 21.592 ( 2.714 0.000 -4.853) 5.561 21.689 ( 4.137 0.000 3.009) 5.116 22.632 ( -6.029 0.000 -3.732) 7.091 22.858 ( -0.188 0.000 4.077) 4.081 23.008 ( 0.551 0.000 -0.566) 0.790 23.116 ( 4.378 0.000 4.405) 6.210 23.604 ( -4.277 0.000 2.836) 5.132 23.647 ( 0.618 0.000 -4.080) 4.127 23.825 ( -22.292 0.000 -3.252) 22.528 24.397 ( 8.448 0.000 -12.197) 14.837 ======================= Grid point 192 (93/110) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 6.718 0.000 -6.007) 9.012 1.041 ( 7.130 0.000 -5.557) 9.039 1.112 ( 2.591 0.000 -2.620) 3.684 1.161 ( 1.214 0.000 0.822) 1.466 1.332 ( 2.861 0.000 1.235) 3.116 1.337 ( -7.106 0.000 0.521) 7.126 1.439 ( -5.769 0.000 5.383) 7.890 1.461 ( -0.415 0.000 6.429) 6.442 1.613 ( 5.846 0.000 -2.221) 6.254 1.648 ( 4.541 0.000 -3.907) 5.991 1.689 ( 9.891 0.000 -3.633) 10.537 1.922 ( -1.131 0.000 1.045) 1.540 1.983 ( -3.010 0.000 3.426) 4.561 2.082 ( 4.347 0.000 -6.253) 7.615 2.101 ( 4.217 0.000 3.508) 5.485 2.187 ( -3.171 0.000 -5.268) 6.148 2.243 ( -5.277 0.000 -3.148) 6.145 2.474 ( 2.993 0.000 8.971) 9.457 2.770 ( 3.523 0.000 4.138) 5.434 2.778 ( -0.985 0.000 -2.439) 2.631 3.050 ( 1.895 0.000 -3.859) 4.299 3.088 ( -3.789 0.000 -0.792) 3.871 3.224 ( 5.558 0.000 1.621) 5.790 3.431 ( 0.480 0.000 1.245) 1.334 3.596 ( 1.057 0.000 -2.840) 3.030 3.682 ( -0.193 0.000 2.292) 2.300 4.058 ( 1.464 0.000 -0.264) 1.487 4.110 ( -4.002 0.000 -9.618) 10.417 4.296 ( 9.211 0.000 -3.796) 9.962 4.302 ( -6.910 0.000 -1.412) 7.053 4.422 ( 4.593 0.000 -4.995) 6.786 4.473 ( 3.351 0.000 5.197) 6.184 5.033 ( -3.755 0.000 3.206) 4.938 5.107 ( -0.464 0.000 -3.952) 3.979 5.348 ( 5.007 0.000 0.950) 5.097 5.459 ( 7.110 0.000 9.657) 11.993 5.539 ( 0.323 0.000 12.135) 12.140 5.629 ( 6.508 0.000 3.051) 7.187 6.005 ( -7.568 0.000 5.108) 9.131 6.100 ( -6.463 0.000 -2.794) 7.041 6.211 ( -10.024 0.000 -4.602) 11.030 6.355 ( -11.026 0.000 -6.992) 13.056 8.249 ( -4.819 0.000 4.403) 6.527 8.443 ( -5.202 0.000 -5.285) 7.416 9.071 ( -0.058 0.000 -2.925) 2.925 9.132 ( 6.734 0.000 6.993) 9.708 9.406 ( 5.854 0.000 -2.017) 6.192 9.409 ( -3.226 0.000 -2.489) 4.075 9.890 ( -0.164 0.000 7.842) 7.844 9.893 ( 3.607 0.000 -5.003) 6.168 10.039 ( 1.064 0.000 -0.378) 1.129 10.565 ( -1.956 0.000 9.146) 9.353 10.974 ( 2.548 0.000 -0.688) 2.640 11.009 ( 2.509 0.000 -3.269) 4.121 11.288 ( 5.034 0.000 -5.124) 7.183 11.548 ( 0.950 0.000 4.360) 4.462 11.675 ( -1.538 0.000 -8.578) 8.715 11.998 ( -3.302 0.000 4.719) 5.760 12.039 ( -6.876 0.000 -5.061) 8.537 12.402 ( -9.242 0.000 -9.465) 13.229 12.646 ( 0.602 0.000 8.735) 8.755 12.710 ( 1.793 0.000 -3.169) 3.641 20.567 ( -4.402 0.000 7.607) 8.789 20.585 ( 1.229 0.000 -5.651) 5.783 20.991 ( 4.420 0.000 10.367) 11.270 21.324 ( -0.011 0.000 -1.157) 1.157 21.485 ( 6.138 0.000 -1.936) 6.436 21.652 ( 2.056 0.000 3.942) 4.446 21.659 ( 8.892 0.000 -2.771) 9.314 21.953 ( 16.900 0.000 12.552) 21.051 22.501 ( -5.526 0.000 -1.453) 5.714 22.836 ( -4.704 0.000 0.473) 4.728 22.996 ( -0.869 0.000 -1.255) 1.526 23.053 ( -11.232 0.000 -9.803) 14.909 23.476 ( -3.428 0.000 -2.401) 4.186 23.533 ( -5.449 0.000 2.307) 5.918 23.754 ( 7.578 0.000 6.190) 9.785 24.377 ( 2.177 0.000 -13.997) 14.166 ======================= Grid point 193 (94/110) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 4.399 0.000 0.974) 4.505 1.038 ( -1.276 0.000 -4.764) 4.932 1.133 ( 2.727 0.000 -2.959) 4.024 1.164 ( -0.674 0.000 -2.311) 2.407 1.272 ( 1.864 0.000 -0.439) 1.915 1.333 ( -4.368 0.000 2.416) 4.992 1.412 ( -0.704 0.000 2.641) 2.733 1.439 ( -3.016 0.000 1.028) 3.186 1.681 ( 2.858 0.000 -1.513) 3.234 1.693 ( 0.008 0.000 2.516) 2.516 1.870 ( 8.596 0.000 -0.582) 8.615 1.929 ( -0.022 0.000 2.649) 2.649 1.992 ( -1.020 0.000 2.703) 2.889 2.047 ( -1.740 0.000 -7.416) 7.617 2.094 ( -2.129 0.000 4.923) 5.364 2.133 ( -0.261 0.000 -7.440) 7.445 2.303 ( 11.071 0.000 -0.620) 11.089 2.487 ( -8.287 0.000 4.328) 9.349 2.776 ( 3.093 0.000 -0.971) 3.242 2.822 ( -1.956 0.000 2.921) 3.515 3.042 ( -1.035 0.000 2.222) 2.451 3.055 ( 2.235 0.000 -5.602) 6.031 3.389 ( 6.655 0.000 3.156) 7.365 3.452 ( -0.130 0.000 1.886) 1.891 3.625 ( 3.983 0.000 -2.621) 4.768 3.676 ( -3.073 0.000 2.744) 4.120 3.951 ( -5.799 0.000 -0.480) 5.819 3.963 ( -2.399 0.000 -8.362) 8.700 4.301 ( 1.489 0.000 5.213) 5.422 4.357 ( 1.378 0.000 -5.099) 5.282 4.511 ( 7.863 0.000 -4.441) 9.030 4.570 ( -0.669 0.000 4.201) 4.254 5.021 ( -0.146 0.000 3.962) 3.965 5.070 ( -0.660 0.000 -3.503) 3.564 5.461 ( 5.945 0.000 -0.387) 5.958 5.553 ( -5.110 0.000 4.137) 6.575 5.697 ( 7.359 0.000 12.189) 14.238 5.773 ( 5.090 0.000 4.319) 6.676 5.916 ( -5.051 0.000 3.187) 5.973 5.957 ( -4.381 0.000 -3.229) 5.443 6.002 ( -5.866 0.000 -5.567) 8.087 6.064 ( -9.830 0.000 -9.293) 13.527 8.236 ( -0.364 0.000 4.325) 4.341 8.309 ( -3.653 0.000 -4.677) 5.935 9.120 ( 4.551 0.000 2.349) 5.122 9.236 ( -2.706 0.000 -2.194) 3.483 9.368 ( 2.244 0.000 4.383) 4.924 9.443 ( 0.792 0.000 -4.648) 4.715 9.891 ( -3.535 0.000 6.175) 7.115 9.894 ( 2.054 0.000 -5.946) 6.291 10.190 ( 11.211 0.000 2.249) 11.434 10.443 ( -12.902 0.000 1.057) 12.946 11.010 ( -0.111 0.000 2.492) 2.494 11.019 ( 1.601 0.000 -3.444) 3.798 11.472 ( 13.948 0.000 1.111) 13.992 11.582 ( -1.310 0.000 4.546) 4.731 11.609 ( 1.114 0.000 -5.660) 5.768 11.774 ( -11.495 0.000 -6.932) 13.424 12.058 ( -0.655 0.000 10.619) 10.639 12.182 ( -3.596 0.000 -11.677) 12.218 12.710 ( -1.008 0.000 6.592) 6.668 12.723 ( 2.391 0.000 -4.264) 4.888 20.561 ( -2.957 0.000 6.717) 7.339 20.567 ( 2.140 0.000 -5.922) 6.296 21.152 ( 3.501 0.000 8.587) 9.274 21.270 ( -2.256 0.000 -5.388) 5.842 21.573 ( 4.956 0.000 -1.699) 5.239 21.645 ( -3.400 0.000 1.122) 3.580 21.896 ( 14.601 0.000 2.966) 14.900 22.192 ( -10.298 0.000 2.482) 10.593 22.456 ( 8.972 0.000 2.968) 9.450 22.686 ( -8.813 0.000 -3.813) 9.603 22.870 ( 2.637 0.000 -5.110) 5.750 22.947 ( -3.841 0.000 -0.903) 3.946 23.429 ( -0.675 0.000 -1.257) 1.427 23.449 ( -4.033 0.000 1.323) 4.244 24.021 ( 7.865 0.000 14.135) 16.176 24.249 ( -2.427 0.000 -14.818) 15.016 ======================= Grid point 197 (95/110) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 1.158 4.492 -4.795) 6.672 0.822 ( -1.158 4.492 4.795) 6.672 0.947 ( 2.882 -0.095 -7.840) 8.354 0.947 ( -2.882 -0.095 7.840) 8.354 1.336 ( 1.834 -1.653 -1.110) 2.707 1.336 ( -1.834 -1.653 1.110) 2.707 1.443 ( -2.280 -0.374 -1.824) 2.944 1.443 ( 2.280 -0.374 1.824) 2.944 1.577 ( -0.891 3.239 -1.709) 3.769 1.577 ( 0.891 3.239 1.709) 3.769 1.807 ( -4.111 -0.875 -10.000) 10.848 1.807 ( 4.111 -0.875 10.000) 10.848 1.974 ( 0.493 1.786 -1.291) 2.259 1.974 ( -0.493 1.786 1.291) 2.259 2.153 ( -4.392 2.529 -2.139) 5.501 2.153 ( 4.392 2.529 2.139) 5.501 2.495 ( -1.706 -1.927 -3.946) 4.711 2.495 ( 1.706 -1.927 3.946) 4.711 2.635 ( -5.953 -1.295 -5.590) 8.268 2.635 ( 5.953 -1.295 5.590) 8.268 3.059 ( 1.482 -3.100 -3.871) 5.176 3.059 ( -1.482 -3.100 3.871) 5.176 3.312 ( 0.168 -0.295 -4.126) 4.140 3.312 ( -0.168 -0.295 4.126) 4.140 3.685 ( 1.241 -0.473 -1.953) 2.362 3.685 ( -1.241 -0.473 1.953) 2.362 3.866 ( 4.905 -7.073 -3.713) 9.374 3.866 ( -4.905 -7.073 3.713) 9.374 4.260 ( 0.725 -6.041 -1.228) 6.207 4.260 ( -0.725 -6.041 1.228) 6.207 4.694 ( -7.330 1.047 -11.834) 13.960 4.694 ( 7.330 1.047 11.834) 13.960 4.955 ( -2.695 -3.795 -2.129) 5.119 4.955 ( 2.695 -3.795 2.129) 5.119 5.185 ( 2.346 -2.044 -2.530) 4.010 5.185 ( -2.346 -2.044 2.530) 4.010 5.416 ( -1.753 7.739 -6.162) 10.047 5.416 ( 1.753 7.739 6.162) 10.047 6.162 ( 1.048 -3.437 -1.290) 3.818 6.162 ( -1.048 -3.437 1.290) 3.818 6.567 ( -2.250 -1.674 -4.031) 4.910 6.567 ( 2.250 -1.674 4.031) 4.910 8.509 ( -6.338 2.801 0.078) 6.930 8.509 ( 6.338 2.801 -0.078) 6.930 9.040 ( -9.816 -2.498 0.063) 10.129 9.040 ( 9.816 -2.498 -0.063) 10.129 9.373 ( -3.770 0.698 -6.632) 7.661 9.373 ( 3.770 0.698 6.632) 7.661 9.779 ( 1.341 0.438 -2.346) 2.737 9.779 ( -1.341 0.438 2.346) 2.737 10.301 ( -6.587 5.944 1.588) 9.013 10.301 ( 6.587 5.944 -1.588) 9.013 10.986 ( 0.784 2.087 -1.206) 2.534 10.986 ( -0.784 2.087 1.206) 2.534 11.361 ( -2.280 -1.473 -4.250) 5.043 11.361 ( 2.280 -1.473 4.250) 5.043 11.936 ( -2.734 1.431 -7.230) 7.861 11.936 ( 2.734 1.431 7.230) 7.861 12.358 ( -2.569 -3.275 -8.700) 9.644 12.358 ( 2.569 -3.275 8.700) 9.644 12.765 ( 4.920 1.349 -6.402) 8.186 12.765 ( -4.920 1.349 6.402) 8.186 20.668 ( -0.783 -1.308 -6.183) 6.368 20.668 ( 0.783 -1.308 6.183) 6.368 20.806 ( 9.480 -1.949 -6.484) 11.649 20.806 ( -9.480 -1.949 6.484) 11.649 21.386 ( 2.017 1.118 -2.311) 3.264 21.386 ( -2.017 1.118 2.311) 3.264 21.631 ( -0.169 1.921 -3.295) 3.818 21.631 ( 0.169 1.921 3.295) 3.818 22.770 ( -4.621 -0.981 -5.928) 7.580 22.770 ( 4.621 -0.981 5.928) 7.580 23.008 ( -3.539 -0.725 -4.717) 5.942 23.008 ( 3.539 -0.725 4.717) 5.942 23.649 ( 1.192 0.457 -2.779) 3.058 23.649 ( -1.192 0.457 2.779) 3.058 24.218 ( 14.624 -1.089 -5.775) 15.761 24.218 ( -14.624 -1.089 5.775) 15.761 ======================= Grid point 199 (96/110) ======================= q-point: ( 0.14 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 4.084 -1.172 -9.935) 10.805 0.881 ( 11.740 2.819 -6.887) 13.899 1.038 ( 2.959 1.019 6.112) 6.867 1.073 ( 7.621 0.550 2.935) 8.185 1.302 ( -1.203 0.104 0.701) 1.397 1.353 ( -0.421 -3.391 1.924) 3.922 1.420 ( -0.972 -0.726 1.244) 1.737 1.498 ( 0.988 -0.283 0.257) 1.060 1.536 ( -1.891 1.533 -0.411) 2.469 1.640 ( 4.695 5.013 -0.185) 6.871 1.659 ( -0.477 -0.432 -10.392) 10.412 1.947 ( 2.638 -3.546 5.662) 7.183 1.967 ( 0.587 2.040 1.463) 2.578 2.022 ( -1.239 2.735 0.092) 3.003 2.127 ( 3.757 5.858 3.795) 7.926 2.259 ( 2.314 -0.137 3.947) 4.578 2.362 ( -7.864 -3.728 -6.787) 11.036 2.389 ( -3.144 0.227 -3.820) 4.953 2.627 ( 2.880 -1.947 0.311) 3.490 2.797 ( 6.865 1.313 0.143) 6.991 3.061 ( -0.612 -1.346 2.214) 2.662 3.081 ( 1.003 -2.380 0.688) 2.673 3.218 ( -4.447 -1.414 -0.766) 4.729 3.386 ( 1.915 0.350 2.046) 2.824 3.657 ( -0.709 -0.771 -2.657) 2.856 3.684 ( 0.124 2.263 -0.555) 2.334 3.881 ( 2.734 -6.611 2.893) 7.717 3.961 ( 7.661 -12.848 -2.648) 15.191 4.263 ( 1.166 -2.241 -9.359) 9.693 4.292 ( 3.571 -5.143 0.158) 6.263 4.398 ( -6.915 -0.450 -5.130) 8.622 4.595 ( -12.000 -0.730 -1.800) 12.157 5.043 ( -0.146 -0.771 4.152) 4.226 5.148 ( 7.495 -4.570 -0.426) 8.789 5.203 ( 2.855 -1.037 -1.141) 3.245 5.275 ( 7.048 -1.046 7.409) 10.279 5.382 ( 3.574 6.117 3.721) 8.002 5.546 ( 4.460 6.474 5.819) 9.781 6.063 ( -7.490 -4.411 3.341) 9.312 6.185 ( -1.164 -2.434 -1.338) 3.011 6.416 ( -8.725 -1.454 -4.056) 9.731 6.562 ( -4.811 -0.184 -0.382) 4.830 8.369 ( -6.873 3.060 2.355) 7.884 8.624 ( 2.231 6.363 -3.995) 7.837 8.916 ( -1.948 -5.768 4.848) 7.783 9.218 ( -1.805 1.419 -4.240) 4.822 9.230 ( 5.826 -1.548 -2.385) 6.483 9.453 ( -0.137 -0.027 3.324) 3.327 9.807 ( 2.257 0.848 2.504) 3.476 9.828 ( 5.043 -0.862 -3.133) 5.999 10.170 ( -7.161 5.636 1.695) 9.269 10.450 ( 7.442 4.091 1.889) 8.699 10.962 ( -0.755 0.817 -0.591) 1.259 11.019 ( 2.656 2.975 -1.413) 4.231 11.287 ( -1.388 -1.395 -4.429) 4.847 11.443 ( 2.654 -2.390 2.800) 4.538 11.801 ( -4.557 -0.899 -6.371) 7.885 12.024 ( -0.254 3.937 6.901) 7.950 12.213 ( -4.483 -1.999 -7.958) 9.350 12.487 ( 3.313 -3.544 6.869) 8.409 12.661 ( -10.389 1.388 2.239) 10.718 12.766 ( 1.249 2.575 -4.653) 5.463 20.591 ( -4.439 -1.284 1.907) 4.999 20.651 ( -2.530 1.511 -0.462) 2.983 20.794 ( 2.216 -2.605 9.769) 10.351 21.077 ( 13.543 -8.991 -4.072) 16.758 21.421 ( 3.447 0.476 1.654) 3.853 21.466 ( 8.396 2.481 1.267) 8.847 21.636 ( 4.496 3.989 0.202) 6.014 21.714 ( 4.808 2.672 1.835) 5.799 22.619 ( -5.803 -1.221 -3.623) 6.949 22.883 ( 0.723 2.125 4.886) 5.377 22.937 ( 0.042 -5.135 -3.711) 6.336 23.144 ( 4.521 1.284 6.129) 7.723 23.576 ( -4.894 -1.062 0.180) 5.012 23.678 ( 1.301 1.062 -1.112) 2.014 23.863 ( -20.570 3.572 -2.358) 21.011 24.361 ( 7.241 -3.267 -11.184) 13.718 ======================= Grid point 200 (97/110) ======================= q-point: ( 0.29 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 8.320 -0.354 -6.236) 10.403 1.033 ( 6.670 -3.004 -4.518) 8.598 1.091 ( 0.474 2.949 -0.768) 3.084 1.185 ( 0.730 0.552 -0.374) 0.989 1.275 ( -1.907 -1.914 -0.607) 2.769 1.379 ( 1.923 1.334 2.438) 3.379 1.464 ( 0.839 0.508 4.614) 4.717 1.474 ( -4.571 2.318 3.220) 6.053 1.536 ( 2.433 -4.984 1.042) 5.643 1.625 ( 8.415 -1.984 -7.898) 11.710 1.738 ( 3.554 4.012 0.146) 5.362 1.950 ( -2.534 -2.182 3.372) 4.749 1.984 ( -0.651 3.913 -1.822) 4.365 2.087 ( 5.467 0.323 2.327) 5.950 2.151 ( -4.691 -0.540 -1.328) 4.905 2.168 ( -2.768 -1.047 -4.885) 5.712 2.284 ( 0.439 6.253 -2.366) 6.700 2.454 ( 3.888 -0.745 7.514) 8.493 2.670 ( 1.864 -3.724 -0.404) 4.184 2.887 ( 1.573 4.149 0.371) 4.452 3.027 ( -1.010 -0.229 -2.106) 2.347 3.120 ( 0.233 -0.031 0.507) 0.559 3.192 ( 3.872 -2.754 1.415) 4.958 3.428 ( 1.428 0.665 1.991) 2.539 3.630 ( 0.711 1.888 -2.723) 3.389 3.695 ( 0.169 1.264 1.487) 1.959 3.924 ( 0.308 -12.627 -2.571) 12.890 4.068 ( -2.741 -6.443 -8.053) 10.671 4.149 ( 5.817 -6.710 -2.606) 9.255 4.294 ( -5.456 -0.871 -0.999) 5.615 4.407 ( 4.868 -0.299 -2.828) 5.638 4.466 ( 2.489 -3.222 2.883) 4.989 5.051 ( 0.680 2.923 1.565) 3.385 5.179 ( 1.814 3.414 -3.269) 5.063 5.315 ( 5.951 -5.297 -0.822) 8.009 5.420 ( 4.511 1.127 7.512) 8.834 5.568 ( 3.442 0.615 8.801) 9.470 5.679 ( 3.730 4.116 6.380) 8.459 5.950 ( -7.584 -4.772 4.660) 10.100 6.094 ( -6.257 -1.362 -1.909) 6.682 6.193 ( -10.251 -0.143 -3.364) 10.790 6.391 ( -8.893 2.667 -6.700) 11.449 8.293 ( -3.492 4.353 3.150) 6.408 8.523 ( -5.853 7.338 -4.459) 10.391 9.020 ( 3.862 -5.010 4.853) 7.973 9.158 ( 3.253 2.705 -0.923) 4.330 9.352 ( 4.993 -4.278 -2.082) 6.897 9.429 ( -2.495 0.832 -2.294) 3.490 9.873 ( 1.921 -0.669 0.115) 2.037 9.899 ( 2.391 -0.422 1.646) 2.934 10.086 ( -0.264 4.554 -0.289) 4.571 10.564 ( -2.406 0.480 6.167) 6.638 10.976 ( 3.411 0.563 0.864) 3.563 11.057 ( 2.838 3.611 -2.455) 5.207 11.242 ( 1.724 -2.501 -4.299) 5.264 11.497 ( 1.789 -4.979 -1.291) 5.446 11.676 ( -3.402 -0.828 -2.714) 4.430 12.036 ( -5.139 0.288 -9.322) 10.649 12.062 ( -3.520 4.397 8.784) 10.435 12.426 ( -10.501 2.337 -5.373) 12.025 12.609 ( 3.650 -1.689 4.693) 6.181 12.757 ( 0.579 2.709 -1.546) 3.172 20.555 ( -2.278 -0.471 4.223) 4.821 20.613 ( -0.366 1.969 -2.595) 3.278 20.938 ( 3.034 -4.975 9.962) 11.541 21.178 ( 3.522 -10.545 -5.898) 12.586 21.508 ( 3.854 1.800 1.711) 4.585 21.666 ( 10.554 1.211 1.460) 10.724 21.748 ( 2.419 6.749 -1.217) 7.272 21.968 ( 15.894 1.325 11.951) 19.930 22.507 ( -3.765 0.267 -1.091) 3.929 22.855 ( -3.355 -0.050 -2.698) 4.305 22.904 ( -2.870 -2.826 -2.927) 4.979 23.151 ( -8.856 4.731 -1.909) 10.220 23.477 ( -3.405 0.371 -0.232) 3.433 23.569 ( -6.522 3.228 -0.668) 7.308 23.743 ( 5.931 -0.938 5.733) 8.302 24.331 ( 1.476 -4.391 -13.408) 14.186 ======================= Grid point 201 (98/110) ======================= q-point: ( 0.43 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 5.210 1.989 0.840) 5.640 1.056 ( -1.702 1.392 -3.399) 4.048 1.078 ( 5.122 -2.275 -6.797) 8.809 1.138 ( -5.136 -0.406 4.438) 6.799 1.295 ( 5.713 0.540 -5.148) 7.710 1.381 ( -7.616 0.902 5.468) 9.419 1.425 ( 1.418 2.963 0.196) 3.290 1.456 ( -2.527 1.683 0.925) 3.174 1.644 ( 5.279 -2.560 2.813) 6.507 1.743 ( -1.072 2.099 -1.844) 2.993 1.797 ( 7.559 -4.960 1.225) 9.124 1.941 ( -3.435 -0.696 -1.286) 3.733 1.973 ( 1.793 -2.429 1.080) 3.207 2.037 ( -2.583 0.188 -3.231) 4.141 2.101 ( -2.405 0.394 4.656) 5.255 2.148 ( 0.040 1.506 -5.013) 5.234 2.352 ( 8.605 4.535 -1.673) 9.870 2.489 ( -6.017 0.731 3.743) 7.124 2.733 ( 5.092 -1.971 0.881) 5.531 2.846 ( -4.960 1.241 -0.639) 5.152 3.043 ( 2.288 0.983 1.556) 2.936 3.099 ( -0.576 1.539 -3.439) 3.811 3.362 ( 7.341 -2.952 6.478) 10.226 3.471 ( 0.286 1.311 0.179) 1.354 3.646 ( 2.572 1.241 -1.459) 3.207 3.688 ( -2.281 0.049 0.728) 2.395 3.853 ( -2.051 -8.014 -3.123) 8.842 3.902 ( -4.619 -4.745 -6.435) 9.233 4.221 ( 1.965 -7.927 -0.452) 8.179 4.247 ( -0.913 -5.617 1.538) 5.895 4.490 ( 6.188 -1.553 -3.956) 7.507 4.534 ( -1.181 -3.366 4.018) 5.373 5.122 ( 4.753 7.978 0.725) 9.315 5.183 ( -0.214 6.706 -1.130) 6.804 5.417 ( 5.944 -4.044 -0.808) 7.235 5.511 ( -3.886 -1.352 4.693) 6.241 5.681 ( 5.017 -1.669 5.091) 7.340 5.776 ( -0.347 -2.372 3.108) 3.926 5.881 ( -1.068 -2.202 1.377) 2.808 5.952 ( -7.288 -0.368 0.630) 7.324 6.019 ( -2.936 3.962 0.945) 5.021 6.147 ( -7.449 5.866 -10.164) 13.900 8.294 ( 0.706 5.715 3.556) 6.767 8.380 ( -4.529 6.762 -4.026) 9.080 9.129 ( 4.636 0.118 4.260) 6.297 9.238 ( -0.177 -0.160 -1.572) 1.590 9.348 ( -0.482 -1.029 1.534) 1.909 9.393 ( 0.908 -4.613 -4.550) 6.543 9.888 ( 1.115 -0.043 -1.691) 2.026 9.903 ( -2.154 0.526 2.070) 3.033 10.205 ( 10.247 1.735 1.537) 10.506 10.436 ( -11.503 -0.006 0.050) 11.503 11.055 ( 0.380 4.254 4.332) 6.083 11.075 ( 1.345 4.355 -3.113) 5.519 11.332 ( 8.081 -9.244 1.458) 12.365 11.469 ( -2.092 -9.407 -5.002) 10.857 11.661 ( 2.454 2.023 2.803) 4.240 11.818 ( -8.384 1.778 -6.755) 10.913 12.106 ( -0.129 4.586 8.579) 9.728 12.218 ( -4.366 3.574 -8.422) 10.137 12.703 ( 2.479 0.050 2.827) 3.760 12.749 ( -0.558 1.623 -1.195) 2.091 20.563 ( -0.719 0.434 3.656) 3.751 20.586 ( 0.047 1.403 -3.011) 3.323 21.067 ( 1.734 -7.431 8.708) 11.578 21.153 ( 0.217 -9.299 -7.243) 11.789 21.605 ( 4.156 3.269 2.934) 6.047 21.706 ( -2.608 4.900 -3.912) 6.791 21.949 ( 14.204 4.193 5.098) 15.663 22.222 ( -6.690 1.823 2.889) 7.512 22.485 ( 7.907 2.746 1.820) 8.566 22.712 ( -9.149 2.438 -3.598) 10.128 22.845 ( 4.083 -1.942 -3.232) 5.558 22.967 ( -7.004 1.604 -2.005) 7.460 23.442 ( -0.622 1.431 0.522) 1.646 23.475 ( -3.504 2.396 -0.479) 4.272 23.979 ( 7.249 -3.994 13.301) 15.666 24.198 ( -2.664 -4.861 -14.248) 15.288 ======================= Grid point 205 (99/110) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -4.332 4.731 -6.981) 9.481 0.902 ( 4.332 4.731 6.981) 9.481 1.016 ( -5.847 5.029 -3.628) 8.523 1.016 ( 5.847 5.029 3.628) 8.523 1.282 ( 0.414 -3.407 -2.617) 4.316 1.282 ( -0.414 -3.407 2.617) 4.316 1.466 ( -4.264 2.858 -2.904) 5.897 1.466 ( 4.264 2.858 2.904) 5.897 1.621 ( -3.044 0.263 -2.919) 4.226 1.621 ( 3.044 0.263 2.919) 4.226 1.769 ( -1.534 -2.445 -6.610) 7.213 1.769 ( 1.534 -2.445 6.610) 7.213 1.990 ( -1.169 1.447 -4.516) 4.884 1.990 ( 1.169 1.447 4.516) 4.884 2.286 ( -3.566 8.791 -3.145) 9.994 2.286 ( 3.566 8.791 3.145) 9.994 2.411 ( -0.477 -5.891 -2.723) 6.507 2.411 ( 0.477 -5.891 2.723) 6.507 2.628 ( -3.886 0.189 -3.752) 5.405 2.628 ( 3.886 0.189 3.752) 5.405 2.963 ( -0.386 -5.907 -2.022) 6.256 2.963 ( 0.386 -5.907 2.022) 6.256 3.303 ( 2.539 -1.285 -5.919) 6.568 3.303 ( -2.539 -1.285 5.919) 6.568 3.567 ( 0.334 -10.873 -3.314) 11.372 3.567 ( -0.334 -10.873 3.314) 11.372 3.794 ( 3.452 1.496 -6.047) 7.122 3.794 ( -3.452 1.496 6.047) 7.122 4.132 ( 3.388 -6.596 -1.453) 7.556 4.132 ( -3.388 -6.596 1.453) 7.556 4.706 ( -10.423 0.313 -7.645) 12.930 4.706 ( 10.423 0.313 7.645) 12.930 4.908 ( -5.823 -0.898 -4.829) 7.618 4.908 ( 5.823 -0.898 4.829) 7.618 5.143 ( 0.660 -1.750 -1.055) 2.148 5.143 ( -0.660 -1.750 1.055) 2.148 5.568 ( -1.002 6.809 -6.983) 9.804 5.568 ( 1.002 6.809 6.983) 9.804 6.051 ( 2.779 -7.313 -2.190) 8.123 6.051 ( -2.779 -7.313 2.190) 8.123 6.531 ( -2.490 -1.678 -2.876) 4.157 6.531 ( 2.490 -1.678 2.876) 4.157 8.550 ( -4.888 0.558 -3.926) 6.294 8.550 ( 4.888 0.558 3.926) 6.294 9.003 ( -7.009 -0.600 -2.821) 7.579 9.003 ( 7.009 -0.600 2.821) 7.579 9.376 ( -1.171 -0.526 -6.163) 6.296 9.376 ( 1.171 -0.526 6.163) 6.296 9.798 ( 0.378 1.331 -2.286) 2.673 9.798 ( -0.378 1.331 2.286) 2.673 10.471 ( -6.686 10.685 0.860) 12.634 10.471 ( 6.686 10.685 -0.860) 12.634 11.035 ( -2.070 2.546 -1.055) 3.447 11.035 ( 2.070 2.546 1.055) 3.447 11.347 ( -1.050 0.036 -4.774) 4.888 11.347 ( 1.050 0.036 4.774) 4.888 11.917 ( -7.454 -4.025 -3.391) 9.125 11.917 ( 7.454 -4.025 3.391) 9.125 12.321 ( -2.823 0.357 -2.726) 3.941 12.321 ( 2.823 0.357 2.726) 3.941 12.780 ( 5.292 -0.040 -6.972) 8.753 12.780 ( -5.292 -0.040 6.972) 8.753 20.630 ( -1.528 -2.316 -3.964) 4.839 20.630 ( 1.528 -2.316 3.964) 4.839 20.768 ( 9.351 -1.589 -6.803) 11.672 20.768 ( -9.351 -1.589 6.803) 11.672 21.396 ( -0.258 -0.173 -0.947) 0.997 21.396 ( 0.258 -0.173 0.947) 0.997 21.698 ( 1.546 4.485 -2.130) 5.201 21.698 ( -1.546 4.485 2.130) 5.201 22.730 ( -4.509 -2.950 -4.970) 7.331 22.730 ( 4.509 -2.950 4.970) 7.331 22.998 ( -3.857 -0.203 -5.169) 6.453 22.998 ( 3.857 -0.203 5.169) 6.453 23.662 ( -0.997 0.812 -1.422) 1.917 23.662 ( 0.997 0.812 1.422) 1.917 24.195 ( 6.206 -1.102 -3.042) 6.999 24.195 ( -6.206 -1.102 3.042) 6.999 ======================= Grid point 207 (100/110) ======================= q-point: ( 0.14 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 2.511 1.542 -9.211) 9.671 0.939 ( 2.213 2.941 -3.472) 5.060 1.082 ( 8.453 5.315 3.688) 10.644 1.162 ( 5.215 5.480 0.867) 7.614 1.261 ( -2.303 -3.881 1.524) 4.763 1.317 ( 1.433 -0.617 3.611) 3.934 1.392 ( 0.275 -0.339 -1.852) 1.903 1.528 ( -3.612 2.163 -0.454) 4.235 1.568 ( 1.037 2.110 0.968) 2.543 1.640 ( -0.063 -1.070 -8.141) 8.211 1.729 ( 1.271 1.828 1.402) 2.631 1.833 ( 1.518 -4.382 5.422) 7.134 2.005 ( 4.173 -0.222 -2.082) 4.669 2.097 ( 1.221 2.508 2.839) 3.981 2.195 ( -1.983 4.538 0.995) 5.051 2.262 ( -6.138 -4.254 -5.785) 9.446 2.368 ( -0.174 5.437 1.298) 5.593 2.390 ( 2.219 0.791 -1.515) 2.801 2.594 ( 1.123 -0.852 -1.078) 1.774 2.802 ( 8.252 -1.084 1.121) 8.398 2.971 ( 1.732 -6.310 -0.401) 6.556 3.022 ( 1.586 -4.912 3.925) 6.484 3.194 ( -5.783 -0.855 0.768) 5.896 3.406 ( 3.159 -0.824 4.241) 5.352 3.573 ( 1.588 -9.015 -2.715) 9.548 3.598 ( 3.634 -9.122 -1.015) 9.872 3.763 ( -2.558 1.646 1.691) 3.480 3.849 ( 6.178 -0.211 -3.307) 7.011 4.107 ( 0.979 -9.351 -1.253) 9.485 4.240 ( 7.696 -2.991 -2.287) 8.567 4.402 ( -9.652 0.873 -4.555) 10.709 4.609 ( -10.901 2.360 -5.927) 12.631 5.048 ( 7.299 -4.068 1.148) 8.435 5.054 ( 3.684 1.222 2.395) 4.561 5.175 ( 4.143 -2.004 2.049) 5.038 5.237 ( 7.758 -1.899 5.295) 9.583 5.506 ( 0.333 5.229 -1.822) 5.547 5.672 ( 2.221 5.239 5.943) 8.228 5.943 ( -7.534 -6.961 3.561) 10.857 6.093 ( 0.365 -6.409 -1.834) 6.676 6.407 ( -7.184 0.698 -2.100) 7.518 6.549 ( -2.360 -1.117 -0.593) 2.677 8.444 ( -2.982 3.898 -1.227) 5.059 8.715 ( 7.401 -2.103 4.385) 8.856 8.846 ( -6.462 3.394 -2.395) 7.682 9.147 ( 6.137 -4.066 0.456) 7.376 9.287 ( -2.505 2.830 -5.333) 6.536 9.437 ( 0.176 -1.718 4.153) 4.498 9.812 ( 3.832 -0.296 -3.413) 5.140 9.827 ( 1.652 0.909 1.096) 2.182 10.333 ( -7.805 10.376 0.690) 13.003 10.576 ( 3.587 8.233 1.835) 9.166 10.982 ( -2.040 0.973 -1.852) 2.922 11.086 ( 2.627 3.349 0.422) 4.277 11.282 ( -1.150 0.716 -4.089) 4.307 11.399 ( 1.026 -1.868 0.551) 2.202 11.743 ( -6.799 -4.529 -3.040) 8.717 12.049 ( 4.582 -3.675 -2.312) 6.312 12.205 ( -7.265 3.096 4.374) 9.028 12.444 ( 4.725 -0.480 4.263) 6.382 12.690 ( -8.647 1.184 2.897) 9.196 12.796 ( 2.296 0.239 -5.173) 5.664 20.568 ( -3.395 -0.981 2.147) 4.135 20.670 ( -0.331 -0.343 0.084) 0.484 20.730 ( 0.030 -2.730 6.816) 7.342 20.919 ( 10.542 -6.276 -8.595) 14.981 21.427 ( 4.546 0.319 1.949) 4.957 21.489 ( 7.228 -0.035 0.754) 7.267 21.730 ( 4.825 5.100 5.496) 8.916 21.796 ( 6.341 4.976 0.016) 8.060 22.586 ( -5.175 -1.852 -3.458) 6.493 22.816 ( 1.262 -6.056 -3.443) 7.080 22.948 ( 0.447 3.367 3.398) 4.805 23.149 ( 4.846 -0.760 6.910) 8.474 23.574 ( -5.202 0.771 -0.479) 5.281 23.679 ( -0.930 -0.634 -0.897) 1.439 23.947 ( -14.493 4.371 -1.316) 15.195 24.280 ( 4.049 -4.407 -8.903) 10.727 ======================= Grid point 208 (101/110) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 9.022 0.473 -4.629) 10.151 1.001 ( 5.197 0.765 -2.170) 5.684 1.182 ( -3.257 3.893 0.348) 5.087 1.208 ( 0.590 2.823 1.969) 3.492 1.251 ( 3.282 -0.161 -4.523) 5.591 1.410 ( 4.314 1.412 1.897) 4.920 1.430 ( 2.412 -4.564 -0.446) 5.182 1.491 ( -0.757 2.784 3.148) 4.270 1.527 ( -3.543 2.904 1.770) 4.911 1.617 ( 3.916 1.280 -3.542) 5.433 1.783 ( 2.862 -0.920 2.169) 3.707 1.876 ( -2.033 -4.068 0.220) 4.553 2.037 ( 3.258 0.557 -5.567) 6.475 2.058 ( -2.189 -2.892 -0.181) 3.631 2.113 ( -7.044 -2.871 -4.715) 8.949 2.193 ( -0.806 4.168 5.013) 6.569 2.404 ( 2.048 5.496 1.508) 6.056 2.488 ( 4.815 2.795 4.145) 6.941 2.631 ( 3.289 -0.324 -1.001) 3.453 2.907 ( 3.624 -2.324 -4.496) 6.225 3.015 ( 1.937 -8.356 2.390) 8.905 3.038 ( -0.890 -1.814 1.373) 2.443 3.150 ( 0.245 -1.359 0.877) 1.636 3.473 ( -0.296 3.090 5.656) 6.452 3.549 ( -0.155 -15.072 -3.453) 15.464 3.701 ( 5.688 -0.283 -3.568) 6.721 3.737 ( 0.489 2.240 1.044) 2.519 3.907 ( -0.812 -6.954 -2.630) 7.479 4.095 ( 0.732 -1.446 -3.475) 3.834 4.295 ( 1.342 1.125 -2.117) 2.747 4.360 ( -2.706 -4.625 -1.515) 5.569 4.428 ( 4.129 2.127 -0.108) 4.646 5.102 ( 3.784 -1.172 -1.093) 4.109 5.187 ( 6.278 0.888 0.567) 6.366 5.246 ( 2.689 -1.264 1.474) 3.317 5.438 ( 6.489 -0.716 1.630) 6.729 5.564 ( 3.507 -1.328 3.815) 5.350 5.730 ( -1.514 -0.010 5.579) 5.781 5.856 ( -4.965 -3.365 4.301) 7.380 6.040 ( -4.493 -3.362 0.471) 5.631 6.240 ( -7.978 4.518 -1.062) 9.230 6.437 ( -5.785 1.635 -5.763) 8.328 8.413 ( 0.067 7.059 0.343) 7.067 8.704 ( -6.463 9.491 -2.054) 11.665 8.898 ( 6.432 -6.102 6.079) 10.750 9.228 ( 1.069 3.738 -3.001) 4.911 9.244 ( 4.635 -5.868 -1.865) 7.707 9.434 ( -2.223 -0.594 -1.267) 2.626 9.861 ( 3.903 -0.735 -4.056) 5.677 9.885 ( 1.999 -0.467 3.306) 3.891 10.217 ( -2.888 8.437 -0.526) 8.933 10.611 ( -4.060 4.505 3.103) 6.812 10.965 ( 2.537 -2.408 0.986) 3.634 11.136 ( 2.682 4.079 -1.073) 4.998 11.230 ( -2.422 0.697 -0.213) 2.529 11.373 ( -1.542 -6.943 -5.370) 8.912 11.643 ( -1.285 -1.405 -0.764) 2.052 11.998 ( -4.620 -3.629 -6.854) 9.028 12.172 ( -1.909 5.812 6.936) 9.249 12.480 ( -9.857 2.284 2.291) 10.374 12.605 ( 4.721 1.368 0.984) 5.013 12.792 ( 0.945 0.617 -2.817) 3.034 20.551 ( -1.251 -0.032 3.795) 3.996 20.649 ( -0.283 1.198 -2.890) 3.142 20.816 ( 1.517 -6.113 7.409) 9.725 20.986 ( 4.448 -7.910 -7.828) 11.985 21.556 ( 5.617 2.872 3.140) 7.047 21.690 ( 11.756 0.871 2.693) 12.092 21.891 ( 3.813 7.152 -2.085) 8.369 21.999 ( 13.517 1.739 10.152) 16.994 22.502 ( -1.256 -0.789 -0.616) 1.606 22.767 ( 0.011 -5.658 -7.067) 9.053 22.959 ( -4.422 4.732 2.062) 6.797 23.207 ( -6.240 0.846 1.764) 6.540 23.494 ( -2.804 1.235 1.524) 3.422 23.628 ( -3.458 1.126 -0.584) 3.683 23.743 ( -2.225 2.193 1.736) 3.575 24.216 ( -0.657 -6.612 -11.840) 13.577 ======================= Grid point 209 (102/110) ======================= q-point: ( 0.43 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 6.567 2.619 1.667) 7.264 1.077 ( 6.439 2.219 -3.483) 7.650 1.110 ( -3.113 3.796 -0.561) 4.941 1.191 ( -3.008 4.581 -0.571) 5.510 1.273 ( 3.316 -1.739 -3.155) 4.896 1.358 ( -8.171 -2.457 2.638) 8.931 1.487 ( 2.686 2.411 0.176) 3.614 1.515 ( -1.463 3.632 2.728) 4.772 1.566 ( 7.333 -4.523 1.447) 8.737 1.734 ( 5.513 -0.357 2.162) 5.932 1.749 ( -5.494 -1.764 -4.788) 7.499 1.885 ( -4.250 -3.603 -4.105) 6.921 1.906 ( 0.611 -3.338 3.013) 4.538 2.007 ( -3.838 -4.824 -1.594) 6.367 2.120 ( 6.317 2.943 -0.009) 6.969 2.218 ( -2.464 3.433 1.669) 4.544 2.454 ( 3.942 5.628 -1.007) 6.945 2.527 ( -3.755 2.399 2.404) 5.063 2.725 ( 6.145 0.742 2.216) 6.575 2.867 ( -4.072 0.299 -4.389) 5.994 3.030 ( 0.465 -3.588 1.260) 3.831 3.056 ( -0.247 -7.100 -0.587) 7.129 3.257 ( 7.260 -6.066 7.007) 11.773 3.446 ( -3.327 -8.005 -8.303) 12.004 3.571 ( 1.325 -3.707 8.725) 9.572 3.680 ( -2.022 0.728 -4.811) 5.269 3.800 ( 5.568 2.169 -8.552) 10.433 3.832 ( -4.270 -2.108 4.344) 6.446 4.107 ( 1.520 -1.872 0.590) 2.483 4.175 ( -5.006 -0.738 -1.349) 5.236 4.456 ( 6.008 -0.985 -1.288) 6.223 4.500 ( 0.174 0.662 1.901) 2.021 5.177 ( 5.654 -4.448 -3.355) 7.938 5.237 ( -2.670 -1.823 2.857) 4.314 5.394 ( 10.346 3.505 0.969) 10.967 5.524 ( -0.472 0.573 1.589) 1.754 5.612 ( 1.118 -5.656 0.955) 5.844 5.717 ( -6.128 -0.144 0.610) 6.160 5.830 ( 2.694 -3.023 2.659) 4.845 5.949 ( -6.532 -0.263 0.854) 6.593 6.150 ( -1.147 7.655 5.139) 9.291 6.262 ( -4.719 5.118 -8.910) 11.307 8.453 ( 3.270 9.500 1.493) 10.158 8.561 ( -6.051 10.595 -2.097) 12.380 9.076 ( 6.154 -5.389 7.035) 10.789 9.221 ( -1.755 -3.638 -4.148) 5.790 9.301 ( 3.262 -1.527 -1.481) 3.894 9.354 ( -2.878 1.100 -1.880) 3.609 9.891 ( 3.082 0.300 -4.004) 5.062 9.913 ( -2.521 0.523 4.024) 4.777 10.269 ( 8.107 4.808 0.424) 9.435 10.468 ( -10.388 3.430 -0.508) 10.951 11.085 ( 5.413 -6.740 3.476) 9.318 11.160 ( -0.019 2.617 -1.571) 3.053 11.199 ( -2.347 -0.879 6.813) 7.260 11.275 ( -1.434 -6.901 -8.997) 11.429 11.675 ( 4.602 0.224 0.522) 4.637 11.821 ( -7.714 -1.116 -4.120) 8.816 12.215 ( 1.312 5.661 4.352) 7.260 12.311 ( -5.773 5.066 -2.831) 8.186 12.713 ( 3.349 0.713 2.936) 4.510 12.774 ( -0.787 0.693 -2.270) 2.500 20.575 ( 0.072 0.546 3.776) 3.816 20.613 ( -0.478 1.002 -3.470) 3.644 20.905 ( 1.045 -7.600 6.875) 10.302 20.969 ( 0.798 -8.108 -6.960) 10.715 21.696 ( 5.368 5.496 4.549) 8.928 21.819 ( -1.698 5.905 -4.699) 7.735 22.025 ( 12.237 2.895 5.331) 13.658 22.235 ( -1.917 -0.567 1.799) 2.689 22.545 ( 7.941 2.628 2.179) 8.644 22.746 ( -1.103 -1.021 -3.932) 4.209 22.835 ( -2.344 2.727 -0.211) 3.602 22.999 ( -11.044 1.399 -2.918) 11.508 23.486 ( -0.138 2.852 2.778) 3.984 23.540 ( -3.008 3.941 -2.833) 5.710 23.875 ( 5.496 -5.954 11.193) 13.818 24.068 ( -3.283 -7.570 -12.660) 15.112 ======================= Grid point 213 (103/110) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -6.950 1.558 -6.331) 9.529 0.998 ( 6.950 1.558 6.331) 9.529 1.086 ( -4.676 3.753 0.393) 6.009 1.086 ( 4.676 3.753 -0.393) 6.009 1.232 ( 0.170 -1.360 -3.207) 3.488 1.232 ( -0.170 -1.360 3.207) 3.488 1.540 ( 0.934 3.614 -4.977) 6.221 1.540 ( -0.934 3.614 4.977) 6.221 1.597 ( -1.594 -1.172 -1.268) 2.350 1.597 ( 1.594 -1.172 1.268) 2.350 1.729 ( 1.273 -2.016 -3.121) 3.927 1.729 ( -1.273 -2.016 3.121) 3.927 2.040 ( -3.412 3.293 -4.266) 6.378 2.040 ( 3.412 3.293 4.266) 6.378 2.267 ( -3.089 -6.726 -0.983) 7.466 2.267 ( 3.089 -6.726 0.983) 7.466 2.481 ( 1.332 8.623 -5.683) 10.412 2.481 ( -1.332 8.623 5.683) 10.412 2.627 ( 0.825 0.385 -3.617) 3.730 2.627 ( -0.825 0.385 3.617) 3.730 2.851 ( 2.218 -5.173 -2.738) 6.259 2.851 ( -2.218 -5.173 2.738) 6.259 3.220 ( 2.387 -6.304 -4.852) 8.305 3.220 ( -2.387 -6.304 4.852) 8.305 3.399 ( -2.010 -4.872 -2.995) 6.062 3.399 ( 2.010 -4.872 2.995) 6.062 3.847 ( 4.637 2.665 -3.377) 6.325 3.847 ( -4.637 2.665 3.377) 6.325 4.012 ( -6.530 -4.617 0.780) 8.035 4.012 ( 6.530 -4.617 -0.780) 8.035 4.725 ( -12.820 1.660 -5.791) 14.165 4.725 ( 12.820 1.660 5.791) 14.165 4.902 ( -8.637 -0.052 -6.942) 11.081 4.902 ( 8.637 -0.052 6.942) 11.081 5.119 ( -1.507 -0.763 -0.574) 1.784 5.119 ( 1.507 -0.763 0.574) 1.784 5.679 ( -1.212 4.208 -5.770) 7.244 5.679 ( 1.212 4.208 5.770) 7.244 5.894 ( 2.045 -7.389 -1.394) 7.793 5.894 ( -2.045 -7.389 1.394) 7.793 6.504 ( -1.479 -0.978 -1.513) 2.331 6.504 ( 1.479 -0.978 1.513) 2.331 8.531 ( -0.998 -1.697 -3.793) 4.273 8.531 ( 0.998 -1.697 3.793) 4.273 9.018 ( -2.143 1.565 -2.429) 3.597 9.018 ( 2.143 1.565 2.429) 3.597 9.356 ( 0.122 -1.202 -3.715) 3.906 9.356 ( -0.122 -1.202 3.715) 3.906 9.824 ( 0.033 1.076 -1.397) 1.764 9.824 ( -0.033 1.076 1.397) 1.764 10.703 ( -3.627 11.096 -1.179) 11.733 10.703 ( 3.627 11.096 1.179) 11.733 11.079 ( -2.374 1.677 -2.023) 3.541 11.079 ( 2.374 1.677 2.023) 3.541 11.348 ( 0.663 -0.283 -5.321) 5.369 11.348 ( -0.663 -0.283 5.321) 5.369 11.797 ( -4.360 -6.545 -3.477) 8.598 11.797 ( 4.360 -6.545 3.477) 8.598 12.359 ( 1.268 2.509 -1.023) 2.992 12.359 ( -1.268 2.509 1.023) 2.992 12.767 ( 3.446 -1.029 -4.963) 6.130 12.767 ( -3.446 -1.029 4.963) 6.130 20.586 ( -1.001 -1.774 -1.638) 2.614 20.586 ( 1.001 -1.774 1.638) 2.614 20.745 ( 4.559 -0.701 -3.488) 5.782 20.745 ( -4.559 -0.701 3.488) 5.782 21.387 ( -0.367 -0.496 -0.836) 1.039 21.387 ( 0.367 -0.496 0.836) 1.039 21.789 ( 1.692 3.933 -1.542) 4.551 21.789 ( -1.692 3.933 1.542) 4.551 22.664 ( -2.649 -3.059 -2.606) 4.813 22.664 ( 2.649 -3.059 2.606) 4.813 22.998 ( -2.051 0.152 -2.802) 3.476 22.998 ( 2.051 0.152 2.802) 3.476 23.678 ( -1.131 0.652 -0.589) 1.432 23.678 ( 1.131 0.652 0.589) 1.432 24.178 ( 1.700 -0.580 -1.344) 2.244 24.178 ( -1.700 -0.580 1.344) 2.244 ======================= Grid point 215 (104/110) ======================= q-point: ( 0.14 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.154 3.789 -5.061) 6.427 1.021 ( -0.211 4.927 -0.944) 5.021 1.137 ( 2.184 -6.292 -0.089) 6.661 1.201 ( 2.988 4.274 3.901) 6.512 1.231 ( 3.746 -0.892 0.221) 3.857 1.312 ( 5.545 1.321 3.043) 6.461 1.472 ( -2.238 5.848 -2.831) 6.872 1.554 ( -0.492 1.794 -0.308) 1.886 1.570 ( 1.213 -1.446 -3.201) 3.716 1.646 ( 2.255 0.094 2.595) 3.439 1.714 ( -2.736 0.015 3.690) 4.593 1.804 ( 2.479 -1.612 1.492) 3.312 1.981 ( 2.081 -0.207 -4.644) 5.094 2.094 ( -2.923 -2.612 -1.225) 4.107 2.182 ( -0.368 -1.189 -3.700) 3.904 2.322 ( 4.524 -5.133 -1.408) 6.985 2.373 ( -5.970 10.194 0.347) 11.818 2.509 ( 1.155 6.263 -1.467) 6.535 2.613 ( 0.575 2.862 1.650) 3.353 2.749 ( 6.048 -3.676 0.107) 7.078 2.834 ( -2.105 -7.039 1.495) 7.498 2.893 ( 3.463 -7.586 -0.466) 8.352 3.150 ( -3.208 -3.634 -1.024) 4.955 3.235 ( 0.297 -10.286 2.568) 10.606 3.487 ( 7.441 0.340 2.619) 7.895 3.556 ( 8.517 0.700 3.273) 9.151 3.777 ( -3.488 0.121 1.772) 3.914 3.864 ( -3.060 -2.706 0.307) 4.096 3.981 ( 6.664 0.692 -3.994) 7.800 4.165 ( 9.206 -4.235 -1.661) 10.269 4.450 ( -9.476 4.235 -4.181) 11.190 4.645 ( -9.407 -0.708 -7.893) 12.300 5.002 ( 8.653 0.806 2.482) 9.038 5.087 ( 5.014 1.034 4.056) 6.531 5.139 ( 4.099 -1.081 2.634) 4.991 5.202 ( 5.281 -1.818 2.803) 6.249 5.579 ( -3.303 2.183 -3.439) 5.244 5.717 ( -3.602 -2.295 2.243) 4.824 5.837 ( -1.213 -1.446 3.787) 4.231 5.956 ( 2.159 -6.194 -0.429) 6.573 6.437 ( -4.088 2.050 -0.544) 4.606 6.519 ( -1.131 -1.775 -0.283) 2.124 8.506 ( 1.701 2.148 -2.640) 3.805 8.618 ( 4.539 -4.814 2.740) 7.161 8.966 ( -1.805 5.667 -0.733) 5.993 9.082 ( 2.418 -2.179 1.640) 3.645 9.328 ( -0.142 1.354 -3.313) 3.581 9.392 ( 0.675 -2.371 2.637) 3.610 9.817 ( 1.885 0.687 -3.015) 3.622 9.839 ( 1.202 0.141 -0.522) 1.318 10.571 ( -7.837 12.489 -0.976) 14.777 10.751 ( -0.217 7.737 2.144) 8.032 10.995 ( -5.073 0.666 -1.759) 5.411 11.140 ( 1.462 1.247 3.499) 3.992 11.288 ( -2.251 -0.692 -2.188) 3.215 11.345 ( -1.287 -4.121 -5.270) 6.812 11.678 ( -2.805 0.065 -0.616) 2.873 11.917 ( 4.358 -8.099 -2.908) 9.646 12.302 ( -4.831 5.522 6.804) 10.006 12.444 ( 2.509 -0.390 5.159) 5.750 12.708 ( -4.373 0.947 0.074) 4.475 12.779 ( 2.117 -1.692 -4.456) 5.215 20.554 ( -2.058 -0.188 2.181) 3.004 20.616 ( -0.174 -3.383 3.408) 4.805 20.727 ( 1.093 1.336 -1.104) 2.049 20.822 ( 6.880 -3.647 -6.927) 10.422 21.437 ( 5.791 0.658 2.028) 6.171 21.476 ( 7.319 -1.029 1.526) 7.546 21.832 ( 4.251 4.703 5.231) 8.219 21.885 ( 6.784 3.176 0.837) 7.538 22.559 ( -3.834 -0.289 -3.547) 5.231 22.693 ( 0.496 -5.932 -4.097) 7.227 23.015 ( 2.121 3.176 4.569) 5.955 23.120 ( 4.537 -1.973 6.465) 8.141 23.600 ( -4.990 1.604 -0.884) 5.316 23.660 ( -2.978 -1.182 -1.016) 3.361 24.031 ( -8.989 4.002 -2.165) 10.075 24.193 ( -0.073 -4.237 -6.367) 7.648 ======================= Grid point 216 (105/110) ======================= q-point: ( 0.29 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 6.342 3.245 -0.817) 7.171 1.061 ( 4.287 4.583 -0.551) 6.300 1.168 ( 0.323 -5.386 2.757) 6.060 1.224 ( -0.515 -1.051 2.773) 3.010 1.325 ( 4.645 4.959 -4.638) 8.227 1.395 ( -1.641 1.666 -3.933) 4.575 1.429 ( 1.783 0.616 0.722) 2.020 1.523 ( 1.233 -0.718 -5.042) 5.240 1.624 ( -0.514 5.832 3.862) 7.014 1.682 ( -0.547 2.803 5.621) 6.305 1.716 ( 1.459 -1.900 3.102) 3.919 1.819 ( -0.105 -1.939 -2.856) 3.454 1.960 ( -1.572 -4.038 -4.008) 5.903 2.029 ( -3.389 -3.737 -4.666) 6.871 2.108 ( 0.353 3.651 -2.138) 4.245 2.281 ( -3.105 5.046 0.871) 5.989 2.471 ( 7.190 -3.986 3.602) 8.975 2.554 ( 3.745 8.094 -0.387) 8.927 2.652 ( 1.648 1.726 1.826) 3.005 2.776 ( -0.508 -11.240 -2.033) 11.434 2.816 ( 0.849 -7.517 -2.072) 7.843 2.954 ( 1.133 -7.253 0.955) 7.403 3.130 ( 1.264 -0.645 0.011) 1.419 3.267 ( 1.505 -9.357 -0.194) 9.479 3.557 ( -2.352 4.578 3.926) 6.473 3.743 ( 4.828 1.205 3.912) 6.330 3.785 ( 0.422 1.385 0.737) 1.625 3.787 ( 0.084 -3.547 -2.825) 4.535 4.093 ( 3.109 2.102 -0.092) 3.754 4.279 ( 1.918 -3.849 -1.830) 4.673 4.352 ( 3.373 4.551 -2.820) 6.328 4.497 ( 2.176 2.765 -2.906) 4.564 5.043 ( -0.792 -1.413 -2.380) 2.879 5.200 ( -0.852 -3.291 0.765) 3.485 5.254 ( 9.692 3.333 2.637) 10.583 5.392 ( 9.108 -3.541 1.141) 9.839 5.518 ( -1.398 -1.614 0.125) 2.139 5.663 ( -2.597 -6.184 5.478) 8.660 5.852 ( -1.650 2.576 1.735) 3.517 5.977 ( -1.343 -2.941 3.098) 4.478 6.344 ( -4.771 5.011 -0.353) 6.928 6.452 ( -3.544 -0.279 -4.166) 5.477 8.548 ( 4.405 5.920 -1.396) 7.510 8.746 ( 5.825 -4.915 2.708) 8.088 8.919 ( -3.519 7.382 0.970) 8.235 9.129 ( 1.209 -5.030 -0.079) 5.174 9.303 ( 0.846 3.323 -2.314) 4.136 9.406 ( -0.614 -1.982 -0.621) 2.166 9.850 ( 4.308 -0.033 -3.632) 5.635 9.877 ( 2.760 -0.607 0.662) 2.902 10.423 ( -5.065 11.875 -1.562) 13.004 10.736 ( -5.305 7.119 3.169) 9.427 10.874 ( -3.578 -6.168 -1.893) 7.378 11.147 ( -9.609 -9.291 6.137) 14.708 11.220 ( 2.156 3.112 -2.534) 4.555 11.294 ( 2.068 -0.198 -6.057) 6.403 11.661 ( 1.273 3.476 -1.889) 4.156 11.898 ( -1.956 -6.116 -5.361) 8.365 12.295 ( -2.507 6.391 7.095) 9.873 12.489 ( -5.859 -1.640 6.954) 9.240 12.657 ( 2.567 3.430 -2.049) 4.749 12.780 ( 1.583 -1.744 -3.454) 4.180 20.554 ( -0.514 0.486 3.179) 3.257 20.631 ( -0.332 -2.986 0.638) 3.071 20.752 ( 1.865 0.232 0.147) 1.886 20.861 ( 3.182 -4.800 -6.298) 8.534 21.616 ( 8.686 2.886 4.208) 10.074 21.694 ( 12.266 -0.586 3.646) 12.810 22.014 ( 5.077 4.436 1.018) 6.818 22.040 ( 10.632 2.340 5.212) 12.069 22.491 ( 0.019 0.364 -1.235) 1.288 22.649 ( 0.686 -5.973 -5.847) 8.387 23.057 ( -3.569 4.763 2.666) 6.521 23.195 ( -3.993 -1.768 2.873) 5.227 23.525 ( -1.981 1.815 1.969) 3.331 23.609 ( -0.099 -2.042 2.125) 2.949 23.831 ( -7.991 5.533 -4.014) 10.515 24.079 ( -3.767 -6.762 -9.594) 12.327 ======================= Grid point 217 (106/110) ======================= q-point: ( 0.43 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 9.226 0.108 2.312) 9.512 1.140 ( 4.131 4.357 -1.346) 6.153 1.180 ( -2.792 -1.112 3.944) 4.959 1.224 ( -3.563 0.002 -0.269) 3.574 1.293 ( 0.052 4.305 -2.600) 5.030 1.334 ( -2.728 1.157 -2.608) 3.948 1.490 ( 6.591 -1.697 -1.442) 6.957 1.530 ( 1.982 0.218 -1.737) 2.645 1.580 ( -3.040 2.541 3.345) 5.185 1.675 ( -6.785 -4.003 -3.165) 8.490 1.789 ( 2.214 4.007 2.807) 5.370 1.815 ( 2.604 -2.774 2.481) 4.542 1.877 ( -3.711 -0.781 -4.546) 5.920 1.899 ( -2.810 -3.903 -1.056) 4.924 2.182 ( 4.880 3.508 0.018) 6.010 2.255 ( -1.885 0.856 0.210) 2.081 2.563 ( 0.959 1.271 1.548) 2.220 2.587 ( -0.039 7.171 -0.789) 7.214 2.721 ( 3.421 -2.054 3.540) 5.334 2.806 ( 1.029 -6.663 -5.569) 8.745 2.820 ( 3.837 -13.596 1.127) 14.172 2.910 ( -5.397 -6.820 0.977) 8.752 3.191 ( 3.635 -0.670 2.545) 4.487 3.268 ( -0.374 -5.537 -3.600) 6.615 3.569 ( 0.765 1.010 4.393) 4.572 3.660 ( -4.521 -2.850 -3.460) 6.367 3.838 ( 1.650 2.910 1.658) 3.734 3.855 ( 1.924 2.221 -0.849) 3.059 4.129 ( 0.905 3.090 3.964) 5.107 4.204 ( -3.138 1.514 -3.658) 5.052 4.490 ( 7.787 4.490 -1.831) 9.173 4.553 ( 0.256 4.317 1.154) 4.476 5.039 ( 3.570 -7.507 -1.916) 8.531 5.131 ( -5.454 -7.861 -0.266) 9.571 5.436 ( 5.845 -0.811 -1.895) 6.198 5.487 ( -1.173 -4.624 -0.074) 4.771 5.558 ( 7.564 3.622 5.122) 9.827 5.728 ( -1.491 -2.544 0.635) 3.017 5.807 ( 0.256 2.900 3.845) 4.823 5.931 ( -5.492 -1.673 0.030) 5.742 6.286 ( -1.387 5.350 2.768) 6.181 6.340 ( -2.423 2.468 -6.038) 6.958 8.645 ( 6.201 8.899 -0.168) 10.847 8.768 ( -5.610 8.757 -0.212) 10.402 8.957 ( 6.051 -5.385 4.106) 9.081 9.096 ( -3.902 -6.776 -2.534) 8.220 9.328 ( 2.294 2.115 -0.164) 3.125 9.370 ( -1.429 0.236 -1.652) 2.197 9.901 ( 3.768 0.777 -3.264) 5.045 9.923 ( -0.492 0.283 2.436) 2.501 10.405 ( 5.149 8.854 -0.808) 10.274 10.573 ( -10.847 6.818 0.182) 12.813 10.882 ( 3.994 -11.423 -0.322) 12.105 10.993 ( -8.304 -11.770 1.995) 14.542 11.263 ( 1.647 3.523 1.175) 4.062 11.289 ( 0.625 2.477 -2.410) 3.512 11.691 ( 3.604 1.535 -1.002) 4.043 11.786 ( -4.883 -2.268 -2.995) 6.161 12.324 ( 0.757 5.043 3.615) 6.251 12.395 ( -5.011 2.671 0.048) 5.678 12.726 ( 2.620 0.685 2.216) 3.499 12.772 ( 0.059 -0.888 -2.660) 2.805 20.582 ( 0.365 0.223 3.033) 3.063 20.615 ( -0.555 -0.918 -2.057) 2.320 20.798 ( 1.273 -2.636 2.961) 4.164 20.843 ( 0.301 -4.391 -4.767) 6.488 21.811 ( 6.820 5.560 5.236) 10.239 21.915 ( 3.261 2.639 -0.813) 4.273 22.071 ( 5.103 2.481 1.640) 5.907 22.203 ( -0.825 -2.477 -0.858) 2.749 22.586 ( 9.505 1.759 3.169) 10.173 22.692 ( 6.521 -3.320 -1.214) 7.418 22.921 ( -8.214 4.527 -0.826) 9.415 23.016 ( -11.588 0.026 -2.903) 11.946 23.552 ( 0.909 3.629 4.631) 5.954 23.629 ( -2.236 4.569 -4.180) 6.584 23.758 ( 2.376 -5.073 7.700) 9.522 23.911 ( -4.075 -7.728 -10.290) 13.499 ======================= Grid point 221 (107/110) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.000 0.000 -0.000) 0.000 0.982 ( -0.000 0.000 0.000) 0.000 1.165 ( 0.000 -0.000 -0.000) 0.000 1.165 ( -0.000 0.000 -0.000) 0.000 1.205 ( -0.000 -0.000 0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.561 ( -0.000 0.000 -0.000) 0.000 1.561 ( -0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.696 ( -0.000 -0.000 0.000) 0.000 1.696 ( -0.000 -0.000 0.000) 0.000 2.099 ( 0.000 -0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.170 ( -0.000 -0.000 0.000) 0.000 2.170 ( -0.000 0.000 0.000) 0.000 2.561 ( 0.000 -0.000 -0.000) 0.000 2.561 ( -0.000 0.000 0.000) 0.000 2.713 ( -0.000 -0.000 -0.000) 0.000 2.713 ( 0.000 0.000 -0.000) 0.000 2.733 ( 0.000 -0.000 -0.000) 0.000 2.733 ( -0.000 0.000 0.000) 0.000 3.144 ( -0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 3.964 ( -0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.901 ( -0.000 0.000 -0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 5.111 ( -0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.733 ( -0.000 0.000 -0.000) 0.000 5.733 ( -0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 -0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.494 ( -0.000 0.000 0.000) 0.000 8.510 ( 0.000 0.000 0.000) 0.000 8.510 ( -0.000 0.000 0.000) 0.000 9.039 ( 0.000 0.000 0.000) 0.000 9.039 ( 0.000 0.000 0.000) 0.000 9.342 ( -0.000 0.000 0.000) 0.000 9.342 ( 0.000 0.000 0.000) 0.000 9.836 ( -0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.837 ( -0.000 0.000 0.000) 0.000 11.096 ( -0.000 0.000 -0.000) 0.000 11.096 ( -0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 -0.000) 0.000 11.719 ( -0.000 0.000 0.000) 0.000 12.389 ( -0.000 0.000 -0.000) 0.000 12.389 ( 0.000 0.000 0.000) 0.000 12.753 ( -0.000 0.000 0.000) 0.000 12.753 ( -0.000 0.000 0.000) 0.000 20.567 ( -0.000 0.000 0.000) 0.000 20.567 ( -0.000 0.000 0.000) 0.000 20.738 ( 0.000 0.000 -0.000) 0.000 20.738 ( 0.000 0.000 -0.000) 0.000 21.382 ( -0.000 0.000 0.000) 0.000 21.382 ( -0.000 0.000 0.000) 0.000 21.833 ( 0.000 0.000 0.000) 0.000 21.833 ( -0.000 0.000 0.000) 0.000 22.630 ( 0.000 0.000 0.000) 0.000 22.630 ( 0.000 0.000 0.000) 0.000 23.000 ( -0.000 0.000 -0.000) 0.000 23.000 ( -0.000 0.000 0.000) 0.000 23.685 ( -0.000 0.000 0.000) 0.000 23.685 ( 0.000 0.000 0.000) 0.000 24.172 ( -0.000 0.000 0.000) 0.000 24.172 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 225 (108/110) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.443 -7.318 -0.860) 7.382 0.971 ( 0.443 7.318 -0.860) 7.382 1.146 ( -0.461 -5.051 0.056) 5.072 1.146 ( -0.461 5.051 0.056) 5.072 1.300 ( 5.603 -3.247 3.250) 7.246 1.300 ( 5.603 3.247 3.250) 7.246 1.526 ( -0.772 -1.644 -4.272) 4.642 1.526 ( -0.772 1.644 -4.272) 4.642 1.645 ( 0.752 -1.321 4.231) 4.495 1.645 ( 0.752 1.321 4.231) 4.495 1.734 ( 2.449 -3.508 0.413) 4.298 1.734 ( 2.449 3.508 0.413) 4.298 2.027 ( -2.635 -3.512 -2.464) 5.034 2.027 ( -2.635 3.512 -2.464) 5.034 2.208 ( 2.021 -4.214 -3.053) 5.582 2.208 ( 2.021 4.214 -3.053) 5.582 2.561 ( -0.580 -5.125 -1.873) 5.487 2.561 ( -0.580 5.125 -1.873) 5.487 2.696 ( -2.125 -5.435 4.908) 7.625 2.696 ( -2.125 5.435 4.908) 7.625 2.741 ( 2.427 -5.773 -4.015) 7.439 2.741 ( 2.427 5.773 -4.015) 7.439 3.111 ( 0.191 -1.614 -0.161) 1.633 3.111 ( 0.191 1.614 -0.161) 1.633 3.534 ( 10.456 -2.989 6.510) 12.674 3.534 ( 10.456 2.989 6.510) 12.674 3.793 ( -5.066 -2.047 0.489) 5.486 3.793 ( -5.066 2.047 0.489) 5.486 4.070 ( 8.615 -5.271 -2.939) 10.518 4.070 ( 8.615 5.271 -2.939) 10.518 4.563 ( -8.450 -6.193 -5.781) 11.966 4.563 ( -8.450 6.193 -5.781) 11.966 5.061 ( 7.735 -3.279 3.777) 9.211 5.061 ( 7.735 3.279 3.777) 9.211 5.157 ( 3.120 -2.409 1.974) 4.409 5.157 ( 3.120 2.409 1.974) 4.409 5.630 ( -6.094 -3.900 -1.581) 7.406 5.630 ( -6.094 3.900 -1.581) 7.406 5.867 ( 2.787 -2.991 2.087) 4.590 5.867 ( 2.787 2.991 2.087) 4.590 6.480 ( -1.665 -2.092 -0.081) 2.675 6.480 ( -1.665 2.092 -0.081) 2.675 8.546 ( 4.017 -2.422 -0.616) 4.731 8.546 ( 4.017 2.422 -0.616) 4.731 9.045 ( -0.126 -2.276 1.256) 2.603 9.045 ( -0.126 2.276 1.256) 2.603 9.353 ( 1.023 -1.476 -0.411) 1.842 9.353 ( 1.023 1.476 -0.411) 1.842 9.833 ( 1.013 -0.666 -1.916) 2.267 9.833 ( 1.013 0.666 -1.916) 2.267 10.777 ( -4.584 -6.224 -1.776) 7.931 10.777 ( -4.584 6.224 -1.776) 7.931 11.074 ( -6.083 -6.980 5.126) 10.583 11.074 ( -6.083 6.980 5.126) 10.583 11.283 ( -0.338 -1.506 -5.857) 6.057 11.283 ( -0.338 1.506 -5.857) 6.057 11.758 ( 2.842 -6.910 -1.255) 7.577 11.758 ( 2.842 6.910 -1.255) 7.577 12.402 ( -1.758 -3.897 6.499) 7.779 12.402 ( -1.758 3.897 6.499) 7.779 12.739 ( 0.118 -2.052 -2.891) 3.547 12.739 ( 0.118 2.052 -2.891) 3.547 20.566 ( -0.981 -1.476 2.454) 3.027 20.566 ( -0.981 1.476 2.454) 3.027 20.764 ( 3.679 -2.289 -4.046) 5.928 20.764 ( 3.679 2.289 -4.046) 5.928 21.454 ( 6.845 -1.050 1.994) 7.207 21.454 ( 6.845 1.050 1.994) 7.207 21.901 ( 5.332 -1.676 3.118) 6.400 21.901 ( 5.332 1.676 3.118) 6.400 22.592 ( -1.397 -3.633 -3.954) 5.548 22.592 ( -1.397 3.633 -3.954) 5.548 23.073 ( 3.548 -2.624 5.556) 7.095 23.073 ( 3.548 2.624 5.556) 7.095 23.632 ( -4.279 -1.546 -1.043) 4.668 23.632 ( -4.279 1.546 -1.043) 4.668 24.111 ( -4.382 -3.987 -4.050) 7.177 24.111 ( -4.382 3.987 -4.050) 7.177 ======================= Grid point 227 (109/110) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 2.751 -8.259 1.943) 8.919 1.008 ( 2.751 8.259 1.943) 8.919 1.167 ( 2.494 -4.475 0.448) 5.143 1.167 ( 2.494 4.475 0.448) 5.143 1.402 ( 1.298 -2.229 -0.597) 2.648 1.402 ( 1.298 2.229 -0.597) 2.648 1.472 ( 1.091 -3.578 -4.866) 6.138 1.472 ( 1.091 3.578 -4.866) 6.138 1.672 ( -2.186 -0.754 3.902) 4.536 1.672 ( -2.186 0.754 3.902) 4.536 1.781 ( 1.691 -2.921 0.719) 3.451 1.781 ( 1.691 2.921 0.719) 3.451 1.946 ( -3.943 -3.060 -3.556) 6.128 1.946 ( -3.943 3.060 -3.556) 6.128 2.248 ( 5.080 -9.174 -2.580) 10.800 2.248 ( 5.080 9.174 -2.580) 10.800 2.509 ( -1.370 -9.974 0.662) 10.090 2.509 ( -1.370 9.974 0.662) 10.090 2.697 ( -0.962 -3.666 0.661) 3.847 2.697 ( -0.962 3.666 0.661) 3.847 2.779 ( 2.809 -8.983 -1.270) 9.497 2.779 ( 2.809 8.983 -1.270) 9.497 3.152 ( 2.958 -3.168 0.458) 4.359 3.152 ( 2.958 3.168 0.458) 4.359 3.659 ( -4.077 -5.438 3.285) 7.549 3.659 ( -4.077 5.438 3.285) 7.549 3.797 ( 5.556 -0.843 1.519) 5.822 3.797 ( 5.556 0.843 1.519) 5.822 4.180 ( 2.674 -5.582 -0.813) 6.242 4.180 ( 2.674 5.582 -0.813) 6.242 4.467 ( 4.638 -5.315 -2.848) 7.607 4.467 ( 4.638 5.315 -2.848) 7.607 5.099 ( -3.837 -5.866 -2.135) 7.328 5.099 ( -3.838 5.866 -2.135) 7.328 5.318 ( 9.966 -3.318 0.928) 10.544 5.318 ( 9.966 3.318 0.928) 10.544 5.545 ( -2.197 -4.277 3.851) 6.160 5.545 ( -2.197 4.277 3.851) 6.160 5.916 ( -0.312 -3.242 2.571) 4.149 5.916 ( -0.312 3.242 2.571) 4.149 6.423 ( -3.123 -2.680 -1.987) 4.570 6.423 ( -3.123 2.680 -1.987) 4.570 8.650 ( 6.951 -4.590 -0.170) 8.332 8.650 ( 6.951 4.590 -0.170) 8.332 9.039 ( -2.248 -4.570 1.318) 5.260 9.039 ( -2.248 4.570 1.318) 5.260 9.360 ( 0.531 -2.491 -1.236) 2.831 9.360 ( 0.531 2.491 -1.236) 2.831 9.860 ( 3.688 -0.864 -1.847) 4.214 9.860 ( 3.688 0.864 -1.847) 4.214 10.667 ( -4.156 -11.362 -2.176) 12.292 10.667 ( -4.156 11.362 -2.176) 12.292 10.938 ( -10.589 -9.997 3.244) 14.919 10.938 ( -10.589 9.997 3.244) 14.919 11.276 ( 2.548 -2.010 -2.257) 3.953 11.276 ( 2.548 2.010 -2.257) 3.953 11.767 ( 0.484 -6.473 -3.807) 7.525 11.767 ( 0.484 6.473 -3.807) 7.525 12.417 ( -3.623 -5.279 7.588) 9.928 12.417 ( -3.623 5.279 7.588) 9.928 12.727 ( 1.856 -3.307 -3.110) 4.904 12.727 ( 1.856 3.307 -3.110) 4.904 20.577 ( -0.238 -1.932 2.401) 3.091 20.577 ( -0.238 1.932 2.401) 3.091 20.787 ( 2.292 -2.727 -3.998) 5.354 20.787 ( 2.292 2.727 -3.998) 5.354 21.667 ( 11.216 -2.037 4.434) 12.231 21.667 ( 11.216 2.037 4.434) 12.231 22.064 ( 7.403 -0.728 3.011) 8.025 22.064 ( 7.403 0.728 3.011) 8.025 22.539 ( 0.673 -4.453 -3.769) 5.873 22.539 ( 0.673 4.453 -3.769) 5.873 23.141 ( -3.140 -3.515 3.034) 5.606 23.141 ( -3.140 3.515 3.034) 5.606 23.565 ( -1.070 -2.148 2.099) 3.189 23.565 ( -1.070 2.148 2.099) 3.189 23.949 ( -6.693 -6.205 -6.977) 11.488 23.949 ( -6.693 6.205 -6.977) 11.488 ======================= Grid point 229 (110/110) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 2.069 -3.852 2.289) 4.936 1.084 ( 2.069 3.852 2.289) 4.936 1.229 ( 2.102 -2.509 1.383) 3.553 1.229 ( 2.102 2.509 1.383) 3.553 1.351 ( -1.558 -0.711 -3.222) 3.649 1.351 ( -1.558 0.711 -3.222) 3.649 1.500 ( 4.010 -2.512 -3.160) 5.690 1.500 ( 4.010 2.512 -3.160) 5.690 1.614 ( -5.771 -1.702 1.567) 6.218 1.614 ( -5.771 1.702 1.567) 6.218 1.802 ( 0.388 -1.450 -0.862) 1.730 1.802 ( 0.388 1.450 -0.862) 1.730 1.875 ( -1.028 -1.802 0.843) 2.239 1.875 ( -1.028 1.802 0.843) 2.239 2.259 ( -0.557 -2.108 -2.460) 3.288 2.259 ( -0.557 2.108 -2.460) 3.288 2.594 ( 5.535 -4.053 2.653) 7.356 2.594 ( 5.535 4.053 2.653) 7.356 2.692 ( 0.152 -1.870 1.286) 2.275 2.692 ( 0.152 1.870 1.286) 2.275 2.770 ( -2.270 -6.714 -2.470) 7.506 2.770 ( -2.270 6.714 -2.470) 7.506 3.207 ( 1.998 -1.749 0.100) 2.658 3.207 ( 1.998 1.749 0.100) 2.658 3.603 ( -2.083 -2.396 0.359) 3.195 3.603 ( -2.083 2.396 0.359) 3.195 3.878 ( 1.452 -0.355 0.938) 1.765 3.878 ( 1.452 0.355 0.938) 1.765 4.192 ( -0.127 -2.495 1.056) 2.712 4.192 ( -0.127 2.495 1.056) 2.712 4.592 ( 5.921 -3.033 -0.901) 6.713 4.592 ( 5.921 3.033 -0.901) 6.713 4.980 ( -4.127 -4.149 -1.987) 6.180 4.980 ( -4.127 4.149 -1.987) 6.180 5.428 ( 2.092 -1.004 -1.614) 2.827 5.428 ( 2.092 1.004 -1.614) 2.827 5.649 ( 6.047 -4.595 5.725) 9.511 5.649 ( 6.047 4.595 5.725) 9.511 5.880 ( -4.429 -3.359 0.074) 5.559 5.880 ( -4.429 3.359 0.074) 5.559 6.353 ( -1.535 -1.311 -1.681) 2.627 6.353 ( -1.535 1.311 -1.681) 2.627 8.793 ( 7.001 -5.594 0.344) 8.968 8.793 ( 7.001 5.594 0.344) 8.968 8.969 ( -5.273 -5.844 0.198) 7.874 8.969 ( -5.273 5.844 0.198) 7.874 9.361 ( 0.490 -1.093 -0.688) 1.381 9.361 ( 0.490 1.093 -0.688) 1.381 9.918 ( 2.452 -0.715 -0.612) 2.627 9.918 ( 2.452 0.715 -0.612) 2.627 10.612 ( 0.343 -10.085 -1.652) 10.225 10.612 ( 0.343 10.085 -1.652) 10.225 10.775 ( -7.040 -8.313 1.684) 11.023 10.775 ( -7.040 8.313 1.684) 11.023 11.308 ( 1.256 -0.737 -0.093) 1.459 11.308 ( 1.256 0.737 -0.093) 1.459 11.735 ( -0.364 -2.593 -2.164) 3.397 11.735 ( -0.364 2.593 -2.164) 3.397 12.401 ( -2.028 -2.098 2.623) 3.924 12.401 ( -2.028 2.098 2.623) 3.924 12.746 ( 1.254 -1.357 -0.775) 2.004 12.746 ( 1.254 1.357 -0.775) 2.004 20.591 ( 0.022 -0.910 1.019) 1.367 20.591 ( 0.022 0.910 1.019) 1.367 20.788 ( 0.661 -1.234 -1.604) 2.129 20.788 ( 0.661 1.234 -1.604) 2.129 21.904 ( 7.634 -3.247 4.469) 9.423 21.904 ( 7.634 3.247 4.469) 9.423 22.139 ( -0.839 -3.747 -2.239) 4.445 22.139 ( -0.839 3.747 -2.239) 4.445 22.629 ( 9.213 -2.700 1.666) 9.744 22.629 ( 9.213 2.700 1.666) 9.744 22.993 ( -10.041 -2.400 -1.940) 10.505 22.993 ( -10.041 2.400 -1.940) 10.505 23.631 ( 2.629 -4.037 5.786) 7.530 23.631 ( 2.629 4.037 5.786) 7.530 23.770 ( -4.637 -5.983 -6.989) 10.303 23.770 ( -4.637 5.983 -6.989) 10.303 =================== 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 3/26208 10.0 37.551 46.381 52.078 0.000 4.235 0.000 3/26208 20.0 8.867 8.719 10.000 0.000 0.606 0.000 3/26208 30.0 4.388 4.194 4.836 0.000 0.278 0.000 3/26208 40.0 2.862 2.719 3.120 0.000 0.179 0.000 3/26208 50.0 2.134 2.020 2.303 0.000 0.133 0.000 3/26208 60.0 1.717 1.618 1.834 0.000 0.107 0.000 3/26208 70.0 1.449 1.359 1.533 0.000 0.091 0.000 3/26208 80.0 1.262 1.179 1.325 0.000 0.079 0.000 3/26208 90.0 1.124 1.047 1.172 0.000 0.070 0.000 3/26208 100.0 1.017 0.945 1.055 0.000 0.063 0.000 3/26208 110.0 0.932 0.864 0.963 0.000 0.057 0.000 3/26208 120.0 0.862 0.798 0.889 0.000 0.052 0.000 3/26208 130.0 0.804 0.743 0.828 0.000 0.048 0.000 3/26208 140.0 0.755 0.697 0.776 0.000 0.045 0.000 3/26208 150.0 0.713 0.656 0.732 0.000 0.042 0.000 3/26208 160.0 0.676 0.621 0.695 0.000 0.040 0.000 3/26208 170.0 0.644 0.590 0.661 0.000 0.038 0.000 3/26208 180.0 0.616 0.562 0.632 0.000 0.036 0.000 3/26208 190.0 0.590 0.538 0.606 0.000 0.035 0.000 3/26208 200.0 0.568 0.515 0.583 0.000 0.034 0.000 3/26208 210.0 0.547 0.495 0.562 0.000 0.033 0.000 3/26208 220.0 0.529 0.476 0.543 0.000 0.032 0.000 3/26208 230.0 0.511 0.459 0.525 0.000 0.031 0.000 3/26208 240.0 0.496 0.443 0.509 0.000 0.030 0.000 3/26208 250.0 0.481 0.428 0.494 0.000 0.030 0.000 3/26208 260.0 0.468 0.415 0.480 0.000 0.029 0.000 3/26208 270.0 0.455 0.402 0.467 0.000 0.029 0.000 3/26208 280.0 0.443 0.390 0.455 0.000 0.028 0.000 3/26208 290.0 0.432 0.379 0.443 0.000 0.028 0.000 3/26208 300.0 0.421 0.368 0.432 0.000 0.027 0.000 3/26208 310.0 0.411 0.358 0.422 0.000 0.027 0.000 3/26208 320.0 0.401 0.349 0.412 0.000 0.027 0.000 3/26208 330.0 0.392 0.340 0.402 0.000 0.026 0.000 3/26208 340.0 0.384 0.332 0.393 0.000 0.026 0.000 3/26208 350.0 0.375 0.324 0.385 0.000 0.026 0.000 3/26208 360.0 0.367 0.316 0.377 0.000 0.025 0.000 3/26208 370.0 0.360 0.309 0.369 0.000 0.025 0.000 3/26208 380.0 0.353 0.302 0.361 0.000 0.025 0.000 3/26208 390.0 0.346 0.295 0.354 0.000 0.024 0.000 3/26208 400.0 0.339 0.289 0.347 0.000 0.024 0.000 3/26208 410.0 0.332 0.283 0.340 0.000 0.024 0.000 3/26208 420.0 0.326 0.277 0.334 0.000 0.023 0.000 3/26208 430.0 0.320 0.271 0.327 0.000 0.023 0.000 3/26208 440.0 0.314 0.266 0.321 0.000 0.023 0.000 3/26208 450.0 0.309 0.260 0.316 0.000 0.023 0.000 3/26208 460.0 0.303 0.255 0.310 0.000 0.022 0.000 3/26208 470.0 0.298 0.251 0.305 0.000 0.022 0.000 3/26208 480.0 0.293 0.246 0.299 0.000 0.022 0.000 3/26208 490.0 0.288 0.241 0.294 0.000 0.021 0.000 3/26208 500.0 0.283 0.237 0.289 0.000 0.021 0.000 3/26208 510.0 0.278 0.233 0.285 0.000 0.021 0.000 3/26208 520.0 0.274 0.229 0.280 0.000 0.021 0.000 3/26208 530.0 0.270 0.225 0.275 0.000 0.020 0.000 3/26208 540.0 0.265 0.221 0.271 0.000 0.020 0.000 3/26208 550.0 0.261 0.218 0.267 0.000 0.020 0.000 3/26208 560.0 0.257 0.214 0.263 0.000 0.020 0.000 3/26208 570.0 0.253 0.211 0.259 0.000 0.019 0.000 3/26208 580.0 0.250 0.207 0.255 0.000 0.019 0.000 3/26208 590.0 0.246 0.204 0.251 0.000 0.019 0.000 3/26208 600.0 0.242 0.201 0.248 0.000 0.019 0.000 3/26208 610.0 0.239 0.198 0.244 0.000 0.019 0.000 3/26208 620.0 0.236 0.195 0.241 0.000 0.018 0.000 3/26208 630.0 0.232 0.192 0.237 0.000 0.018 0.000 3/26208 640.0 0.229 0.189 0.234 0.000 0.018 0.000 3/26208 650.0 0.226 0.187 0.231 0.000 0.018 0.000 3/26208 660.0 0.223 0.184 0.228 0.000 0.018 0.000 3/26208 670.0 0.220 0.181 0.225 0.000 0.017 0.000 3/26208 680.0 0.217 0.179 0.222 0.000 0.017 0.000 3/26208 690.0 0.214 0.177 0.219 0.000 0.017 0.000 3/26208 700.0 0.212 0.174 0.216 0.000 0.017 0.000 3/26208 710.0 0.209 0.172 0.213 0.000 0.017 0.000 3/26208 720.0 0.206 0.170 0.210 0.000 0.016 0.000 3/26208 730.0 0.204 0.167 0.208 0.000 0.016 0.000 3/26208 740.0 0.201 0.165 0.205 0.000 0.016 0.000 3/26208 750.0 0.199 0.163 0.203 0.000 0.016 0.000 3/26208 760.0 0.196 0.161 0.200 0.000 0.016 0.000 3/26208 770.0 0.194 0.159 0.198 0.000 0.016 0.000 3/26208 780.0 0.192 0.157 0.196 0.000 0.015 0.000 3/26208 790.0 0.190 0.155 0.193 0.000 0.015 0.000 3/26208 800.0 0.187 0.154 0.191 0.000 0.015 0.000 3/26208 810.0 0.185 0.152 0.189 0.000 0.015 0.000 3/26208 820.0 0.183 0.150 0.187 0.000 0.015 0.000 3/26208 830.0 0.181 0.148 0.185 0.000 0.015 0.000 3/26208 840.0 0.179 0.147 0.183 0.000 0.014 0.000 3/26208 850.0 0.177 0.145 0.181 0.000 0.014 0.000 3/26208 860.0 0.175 0.143 0.179 0.000 0.014 0.000 3/26208 870.0 0.174 0.142 0.177 0.000 0.014 0.000 3/26208 880.0 0.172 0.140 0.175 0.000 0.014 0.000 3/26208 890.0 0.170 0.139 0.173 0.000 0.014 0.000 3/26208 900.0 0.168 0.137 0.171 0.000 0.014 0.000 3/26208 910.0 0.166 0.136 0.170 0.000 0.014 0.000 3/26208 920.0 0.165 0.134 0.168 0.000 0.013 0.000 3/26208 930.0 0.163 0.133 0.166 0.000 0.013 0.000 3/26208 940.0 0.161 0.132 0.165 0.000 0.013 0.000 3/26208 950.0 0.160 0.130 0.163 0.000 0.013 0.000 3/26208 960.0 0.158 0.129 0.161 0.000 0.013 0.000 3/26208 970.0 0.157 0.128 0.160 0.000 0.013 0.000 3/26208 980.0 0.155 0.127 0.158 0.000 0.013 0.000 3/26208 990.0 0.154 0.125 0.157 0.000 0.013 0.000 3/26208 1000.0 0.152 0.124 0.155 0.000 0.012 0.000 3/26208 Thermal conductivity related properties were written into "kappa-m786.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:48:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|