----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:27:04]------------------------- 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 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.467655770090222 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252988680000003 0.000000000000000 c -0.101087613937447 0.000000000000000 8.279631579419384 Atomic positions (fractional): *1 F 0.20454909029462 0.14127453191271 0.03536782935187 18.998 2 F 0.79545090970538 0.64127453191271 0.46463217064813 18.998 3 F 0.79545090970538 0.85872546808729 0.96463217064813 18.998 4 F 0.20454909029462 0.35872546808729 0.53536782935187 18.998 *5 F 0.63211931420819 0.42715178585421 0.37481762854103 18.998 6 F 0.36788068579181 0.92715178585421 0.12518237145897 18.998 7 F 0.36788068579181 0.57284821414579 0.62518237145897 18.998 8 F 0.63211931420819 0.07284821414579 0.87481762854103 18.998 *9 F 0.50457942731677 0.77201034531646 0.70273708856282 18.998 10 F 0.49542057268323 0.27201034531646 0.79726291143718 18.998 11 F 0.49542057268323 0.22798965468354 0.29726291143718 18.998 12 F 0.50457942731677 0.72798965468354 0.20273708856282 18.998 *13 F 0.50529292229528 0.60403431969027 0.92658644157822 18.998 14 F 0.49470707770472 0.10403431969028 0.57341355842178 18.998 15 F 0.49470707770472 0.39596568030973 0.07341355842178 18.998 16 F 0.50529292229528 0.89596568030973 0.42658644157822 18.998 *17 F 0.98819850552280 0.75590832175984 0.69370864235290 18.998 18 F 0.01180149447720 0.25590832175984 0.80629135764710 18.998 19 F 0.01180149447720 0.24409167824016 0.30629135764710 18.998 20 F 0.98819850552280 0.74409167824016 0.19370864235290 18.998 *21 F 0.98670373669176 0.60426009218091 0.91129906107177 18.998 22 F 0.01329626330824 0.10426009218091 0.58870093892823 18.998 23 F 0.01329626330824 0.39573990781909 0.08870093892823 18.998 24 F 0.98670373669176 0.89573990781909 0.41129906107177 18.998 *25 F 0.19726281865461 0.95738746144658 0.78795307021987 18.998 26 F 0.80273718134539 0.45738746144658 0.71204692978013 18.998 27 F 0.80273718134539 0.04261253855342 0.21204692978013 18.998 28 F 0.19726281865461 0.54261253855342 0.28795307021987 18.998 *29 Sr 0.23508039394765 0.72120772292847 0.44618772412929 87.620 30 Sr 0.76491960605235 0.22120772292847 0.05381227587071 87.620 31 Sr 0.76491960605235 0.27879227707153 0.55381227587071 87.620 32 Sr 0.23508039394765 0.77879227707153 0.94618772412929 87.620 *33 Sr 0.76416826269238 0.93813700530831 0.67587456956598 87.620 34 Sr 0.23583173730762 0.43813700530831 0.82412543043402 87.620 35 Sr 0.23583173730762 0.06186299469169 0.32412543043402 87.620 36 Sr 0.76416826269238 0.56186299469169 0.17587456956598 87.620 *37 In 0.72069258276876 0.62517454617216 0.71290871792692 114.818 38 In 0.27930741723124 0.12517454617217 0.78709128207308 114.818 39 In 0.27930741723124 0.37482545382783 0.28709128207308 114.818 40 In 0.72069258276876 0.87482545382784 0.21290871792691 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.467655770090222 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252988680000003 0.000000000000000 c -0.101087613937447 0.000000000000000 8.279631579419384 Atomic positions (fractional): *1 F 0.20454909029462 0.14127453191271 0.03536782935187 18.998 > 1 2 F 0.79545090970538 0.64127453191271 0.46463217064813 18.998 > 2 3 F 0.79545090970538 0.85872546808729 0.96463217064813 18.998 > 3 4 F 0.20454909029462 0.35872546808729 0.53536782935187 18.998 > 4 *5 F 0.63211931420819 0.42715178585421 0.37481762854103 18.998 > 5 6 F 0.36788068579181 0.92715178585421 0.12518237145897 18.998 > 6 7 F 0.36788068579181 0.57284821414579 0.62518237145897 18.998 > 7 8 F 0.63211931420819 0.07284821414579 0.87481762854103 18.998 > 8 *9 F 0.50457942731677 0.77201034531646 0.70273708856282 18.998 > 9 10 F 0.49542057268323 0.27201034531646 0.79726291143718 18.998 > 10 11 F 0.49542057268323 0.22798965468354 0.29726291143718 18.998 > 11 12 F 0.50457942731677 0.72798965468354 0.20273708856282 18.998 > 12 *13 F 0.50529292229528 0.60403431969027 0.92658644157822 18.998 > 13 14 F 0.49470707770472 0.10403431969028 0.57341355842178 18.998 > 14 15 F 0.49470707770472 0.39596568030973 0.07341355842178 18.998 > 15 16 F 0.50529292229528 0.89596568030973 0.42658644157822 18.998 > 16 *17 F 0.98819850552280 0.75590832175984 0.69370864235290 18.998 > 17 18 F 0.01180149447720 0.25590832175984 0.80629135764710 18.998 > 18 19 F 0.01180149447720 0.24409167824016 0.30629135764710 18.998 > 19 20 F 0.98819850552280 0.74409167824016 0.19370864235290 18.998 > 20 *21 F 0.98670373669176 0.60426009218091 0.91129906107177 18.998 > 21 22 F 0.01329626330824 0.10426009218091 0.58870093892823 18.998 > 22 23 F 0.01329626330824 0.39573990781909 0.08870093892823 18.998 > 23 24 F 0.98670373669176 0.89573990781909 0.41129906107177 18.998 > 24 *25 F 0.19726281865461 0.95738746144658 0.78795307021987 18.998 > 25 26 F 0.80273718134539 0.45738746144658 0.71204692978013 18.998 > 26 27 F 0.80273718134539 0.04261253855342 0.21204692978013 18.998 > 27 28 F 0.19726281865461 0.54261253855342 0.28795307021987 18.998 > 28 *29 Sr 0.23508039394765 0.72120772292847 0.44618772412929 87.620 > 29 30 Sr 0.76491960605235 0.22120772292847 0.05381227587071 87.620 > 30 31 Sr 0.76491960605235 0.27879227707153 0.55381227587071 87.620 > 31 32 Sr 0.23508039394765 0.77879227707153 0.94618772412929 87.620 > 32 *33 Sr 0.76416826269238 0.93813700530831 0.67587456956598 87.620 > 33 34 Sr 0.23583173730762 0.43813700530831 0.82412543043402 87.620 > 34 35 Sr 0.23583173730762 0.06186299469169 0.32412543043402 87.620 > 35 36 Sr 0.76416826269238 0.56186299469169 0.17587456956598 87.620 > 36 *37 In 0.72069258276876 0.62517454617216 0.71290871792692 114.818 > 37 38 In 0.27930741723124 0.12517454617217 0.78709128207308 114.818 > 38 39 In 0.27930741723124 0.37482545382783 0.28709128207308 114.818 > 39 40 In 0.72069258276876 0.87482545382784 0.21290871792691 114.818 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.935311540180445 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252988680000003 0.000000000000000 c -0.101087613937447 0.000000000000000 8.279631579419384 Atomic positions (fractional): *1 F 0.10227454514731 0.14127453191271 0.03536782935187 18.998 > 1 2 F 0.60227454514731 0.14127453191271 0.03536782935187 18.998 > 1 3 F 0.39772545485269 0.64127453191271 0.46463217064813 18.998 > 2 4 F 0.89772545485269 0.64127453191271 0.46463217064813 18.998 > 2 5 F 0.39772545485269 0.85872546808729 0.96463217064813 18.998 > 3 6 F 0.89772545485269 0.85872546808729 0.96463217064813 18.998 > 3 7 F 0.10227454514731 0.35872546808729 0.53536782935187 18.998 > 4 8 F 0.60227454514731 0.35872546808729 0.53536782935187 18.998 > 4 *9 F 0.31605965710410 0.42715178585421 0.37481762854103 18.998 > 5 10 F 0.81605965710410 0.42715178585421 0.37481762854103 18.998 > 5 11 F 0.18394034289590 0.92715178585421 0.12518237145897 18.998 > 6 12 F 0.68394034289590 0.92715178585421 0.12518237145897 18.998 > 6 13 F 0.18394034289590 0.57284821414579 0.62518237145897 18.998 > 7 14 F 0.68394034289590 0.57284821414579 0.62518237145897 18.998 > 7 15 F 0.31605965710410 0.07284821414579 0.87481762854103 18.998 > 8 16 F 0.81605965710410 0.07284821414579 0.87481762854103 18.998 > 8 *17 F 0.25228971365839 0.77201034531646 0.70273708856282 18.998 > 9 18 F 0.75228971365839 0.77201034531646 0.70273708856282 18.998 > 9 19 F 0.24771028634161 0.27201034531646 0.79726291143718 18.998 > 10 20 F 0.74771028634161 0.27201034531646 0.79726291143718 18.998 > 10 21 F 0.24771028634161 0.22798965468354 0.29726291143718 18.998 > 11 22 F 0.74771028634161 0.22798965468354 0.29726291143718 18.998 > 11 23 F 0.25228971365839 0.72798965468354 0.20273708856282 18.998 > 12 24 F 0.75228971365839 0.72798965468354 0.20273708856282 18.998 > 12 *25 F 0.25264646114764 0.60403431969027 0.92658644157822 18.998 > 13 26 F 0.75264646114764 0.60403431969027 0.92658644157822 18.998 > 13 27 F 0.24735353885236 0.10403431969028 0.57341355842178 18.998 > 14 28 F 0.74735353885236 0.10403431969028 0.57341355842178 18.998 > 14 29 F 0.24735353885236 0.39596568030973 0.07341355842178 18.998 > 15 30 F 0.74735353885236 0.39596568030973 0.07341355842178 18.998 > 15 31 F 0.25264646114764 0.89596568030973 0.42658644157822 18.998 > 16 32 F 0.75264646114764 0.89596568030973 0.42658644157822 18.998 > 16 *33 F 0.49409925276140 0.75590832175984 0.69370864235290 18.998 > 17 34 F 0.99409925276140 0.75590832175984 0.69370864235290 18.998 > 17 35 F 0.00590074723860 0.25590832175984 0.80629135764710 18.998 > 18 36 F 0.50590074723860 0.25590832175984 0.80629135764710 18.998 > 18 37 F 0.00590074723860 0.24409167824016 0.30629135764710 18.998 > 19 38 F 0.50590074723860 0.24409167824016 0.30629135764710 18.998 > 19 39 F 0.49409925276140 0.74409167824016 0.19370864235290 18.998 > 20 40 F 0.99409925276140 0.74409167824016 0.19370864235290 18.998 > 20 *41 F 0.49335186834588 0.60426009218091 0.91129906107177 18.998 > 21 42 F 0.99335186834588 0.60426009218091 0.91129906107177 18.998 > 21 43 F 0.00664813165412 0.10426009218091 0.58870093892823 18.998 > 22 44 F 0.50664813165412 0.10426009218091 0.58870093892823 18.998 > 22 45 F 0.00664813165412 0.39573990781909 0.08870093892823 18.998 > 23 46 F 0.50664813165412 0.39573990781909 0.08870093892823 18.998 > 23 47 F 0.49335186834588 0.89573990781909 0.41129906107177 18.998 > 24 48 F 0.99335186834588 0.89573990781909 0.41129906107177 18.998 > 24 *49 F 0.09863140932731 0.95738746144658 0.78795307021987 18.998 > 25 50 F 0.59863140932730 0.95738746144658 0.78795307021987 18.998 > 25 51 F 0.40136859067269 0.45738746144658 0.71204692978013 18.998 > 26 52 F 0.90136859067269 0.45738746144658 0.71204692978013 18.998 > 26 53 F 0.40136859067269 0.04261253855342 0.21204692978013 18.998 > 27 54 F 0.90136859067269 0.04261253855342 0.21204692978013 18.998 > 27 55 F 0.09863140932731 0.54261253855342 0.28795307021987 18.998 > 28 56 F 0.59863140932730 0.54261253855342 0.28795307021987 18.998 > 28 *57 Sr 0.11754019697383 0.72120772292847 0.44618772412929 87.620 > 29 58 Sr 0.61754019697383 0.72120772292847 0.44618772412929 87.620 > 29 59 Sr 0.38245980302617 0.22120772292847 0.05381227587071 87.620 > 30 60 Sr 0.88245980302617 0.22120772292847 0.05381227587071 87.620 > 30 61 Sr 0.38245980302617 0.27879227707153 0.55381227587071 87.620 > 31 62 Sr 0.88245980302617 0.27879227707153 0.55381227587071 87.620 > 31 63 Sr 0.11754019697383 0.77879227707153 0.94618772412929 87.620 > 32 64 Sr 0.61754019697383 0.77879227707153 0.94618772412929 87.620 > 32 *65 Sr 0.38208413134619 0.93813700530831 0.67587456956598 87.620 > 33 66 Sr 0.88208413134619 0.93813700530831 0.67587456956598 87.620 > 33 67 Sr 0.11791586865381 0.43813700530831 0.82412543043402 87.620 > 34 68 Sr 0.61791586865381 0.43813700530831 0.82412543043402 87.620 > 34 69 Sr 0.11791586865381 0.06186299469169 0.32412543043402 87.620 > 35 70 Sr 0.61791586865381 0.06186299469169 0.32412543043402 87.620 > 35 71 Sr 0.38208413134619 0.56186299469169 0.17587456956598 87.620 > 36 72 Sr 0.88208413134619 0.56186299469169 0.17587456956598 87.620 > 36 *73 In 0.36034629138438 0.62517454617216 0.71290871792692 114.818 > 37 74 In 0.86034629138438 0.62517454617216 0.71290871792692 114.818 > 37 75 In 0.13965370861562 0.12517454617217 0.78709128207308 114.818 > 38 76 In 0.63965370861562 0.12517454617217 0.78709128207308 114.818 > 38 77 In 0.13965370861562 0.37482545382783 0.28709128207308 114.818 > 39 78 In 0.63965370861562 0.37482545382783 0.28709128207308 114.818 > 39 79 In 0.36034629138438 0.87482545382784 0.21290871792691 114.818 > 40 80 In 0.86034629138438 0.87482545382784 0.21290871792691 114.818 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4537421 0.0000000 0.0120010 0.0000000 2.4716434 0.0000000 0.0120012 0.0000000 2.4713176 -------------------------- Born effective charges -------------------------- 1 F -1.0657050 0.0886437 0.1229662 0.0832349 -0.8485836 0.0429393 0.1162086 0.0300127 -1.5075990 2 F -1.0657050 -0.0886437 0.1229662 -0.0832349 -0.8485836 -0.0429393 0.1162086 -0.0300127 -1.5075990 3 F -1.0657050 0.0886437 0.1229662 0.0832349 -0.8485836 0.0429393 0.1162086 0.0300127 -1.5075990 4 F -1.0657050 -0.0886437 0.1229662 -0.0832349 -0.8485836 -0.0429393 0.1162086 -0.0300127 -1.5075990 5 F -1.2304606 -0.1019635 -0.1227246 -0.1266363 -1.1293769 0.2543608 -0.1281434 0.2442330 -1.0741371 6 F -1.2304606 0.1019635 -0.1227246 0.1266363 -1.1293769 -0.2543608 -0.1281434 -0.2442330 -1.0741371 7 F -1.2304606 -0.1019635 -0.1227246 -0.1266363 -1.1293769 0.2543608 -0.1281434 0.2442330 -1.0741371 8 F -1.2304606 0.1019635 -0.1227246 0.1266363 -1.1293769 -0.2543608 -0.1281434 -0.2442330 -1.0741371 9 F -1.1504768 0.0381523 0.0516786 0.0536013 -1.2904436 -0.0222217 0.0464938 -0.0180687 -1.0797542 10 F -1.1504768 -0.0381523 0.0516786 -0.0536013 -1.2904436 0.0222217 0.0464938 0.0180687 -1.0797542 11 F -1.1504768 0.0381523 0.0516786 0.0536013 -1.2904436 -0.0222217 0.0464938 -0.0180687 -1.0797542 12 F -1.1504768 -0.0381523 0.0516786 -0.0536013 -1.2904436 0.0222217 0.0464938 0.0180687 -1.0797542 13 F -1.1189253 0.0103891 0.0503198 0.0235839 -1.0553673 0.0221596 0.0523673 0.0244285 -1.2808755 14 F -1.1189253 -0.0103891 0.0503198 -0.0235839 -1.0553673 -0.0221596 0.0523673 -0.0244285 -1.2808755 15 F -1.1189253 0.0103891 0.0503198 0.0235839 -1.0553673 0.0221596 0.0523673 0.0244285 -1.2808755 16 F -1.1189253 -0.0103891 0.0503198 -0.0235839 -1.0553673 -0.0221596 0.0523673 -0.0244285 -1.2808755 17 F -1.1933472 -0.1202029 0.0125453 -0.1200477 -1.2125051 -0.0303479 0.0111515 -0.0524334 -1.1612082 18 F -1.1933472 0.1202029 0.0125453 0.1200477 -1.2125051 0.0303479 0.0111515 0.0524334 -1.1612082 19 F -1.1933472 -0.1202029 0.0125453 -0.1200477 -1.2125051 -0.0303479 0.0111515 -0.0524334 -1.1612082 20 F -1.1933472 0.1202029 0.0125453 0.1200477 -1.2125051 0.0303479 0.0111515 0.0524334 -1.1612082 21 F -1.1646100 0.0171484 -0.1091813 -0.0026513 -1.1271561 0.0019984 -0.0938284 -0.0057620 -1.2248261 22 F -1.1646100 -0.0171484 -0.1091813 0.0026513 -1.1271561 -0.0019984 -0.0938284 0.0057620 -1.2248261 23 F -1.1646100 0.0171484 -0.1091813 -0.0026513 -1.1271561 0.0019984 -0.0938284 -0.0057620 -1.2248261 24 F -1.1646100 -0.0171484 -0.1091813 0.0026513 -1.1271561 -0.0019984 -0.0938284 0.0057620 -1.2248261 25 F -1.0981218 -0.1560559 -0.0966318 -0.1338209 -1.5012794 0.1173915 -0.0912853 0.1580755 -0.8589537 26 F -1.0981218 0.1560559 -0.0966318 0.1338209 -1.5012794 -0.1173915 -0.0912853 -0.1580755 -0.8589537 27 F -1.0981218 -0.1560559 -0.0966318 -0.1338209 -1.5012794 0.1173915 -0.0912853 0.1580755 -0.8589537 28 F -1.0981218 0.1560559 -0.0966318 0.1338209 -1.5012794 -0.1173915 -0.0912853 -0.1580755 -0.8589537 29 Sr 2.5229603 -0.0465525 0.0473861 0.0012237 2.4141637 -0.0986508 0.0075610 -0.1552415 2.5860351 30 Sr 2.5229603 0.0465525 0.0473861 -0.0012237 2.4141637 0.0986508 0.0075610 0.1552415 2.5860351 31 Sr 2.5229603 -0.0465525 0.0473861 0.0012237 2.4141637 -0.0986508 0.0075610 -0.1552415 2.5860351 32 Sr 2.5229603 0.0465525 0.0473861 -0.0012237 2.4141637 0.0986508 0.0075610 0.1552415 2.5860351 33 Sr 2.3505548 -0.0246355 -0.0066462 0.0231584 2.6512227 0.0779517 0.0356722 0.0042920 2.5215160 34 Sr 2.3505548 0.0246355 -0.0066462 -0.0231584 2.6512227 -0.0779517 0.0356722 -0.0042920 2.5215160 35 Sr 2.3505548 -0.0246355 -0.0066462 0.0231584 2.6512227 0.0779517 0.0356722 0.0042920 2.5215160 36 Sr 2.3505548 0.0246355 -0.0066462 -0.0231584 2.6512227 -0.0779517 0.0356722 -0.0042920 2.5215160 37 In 3.1481315 0.0407093 0.0502879 0.0494071 3.0993255 -0.0957854 0.0438026 -0.0400744 3.0798027 38 In 3.1481315 -0.0407093 0.0502879 -0.0494071 3.0993255 0.0957854 0.0438026 0.0400744 3.0798027 39 In 3.1481315 0.0407093 0.0502879 0.0494071 3.0993255 -0.0957854 0.0438026 -0.0400744 3.0798027 40 In 3.1481315 -0.0407093 0.0502879 -0.0494071 3.0993255 0.0957854 0.0438026 0.0400744 3.0798027 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.703 Solver_block: 200 / 1200 - Time: 0.569 Solver_block: 300 / 1200 - Time: 0.571 Solver_block: 400 / 1200 - Time: 0.567 Solver_block: 500 / 1200 - Time: 0.573 Solver_block: 600 / 1200 - Time: 0.570 Solver_block: 700 / 1200 - Time: 0.572 Solver_block: 800 / 1200 - Time: 0.567 Solver_block: 900 / 1200 - Time: 0.572 Solver_block: 1000 / 1200 - Time: 0.570 Solver_block: 1100 / 1200 - Time: 0.571 Solver_block: 1200 / 1200 - Time: 0.575 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.160 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 00:27:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:27:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.467655770090222 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252988680000003 0.000000000000000 c -0.101087613937447 0.000000000000000 8.279631579419384 Atomic positions (fractional): 1 F 0.20454909029462 0.14127453191271 0.03536782935187 18.998 2 F 0.79545090970538 0.64127453191271 0.46463217064813 18.998 3 F 0.79545090970538 0.85872546808729 0.96463217064813 18.998 4 F 0.20454909029462 0.35872546808729 0.53536782935187 18.998 5 F 0.63211931420819 0.42715178585421 0.37481762854103 18.998 6 F 0.36788068579181 0.92715178585421 0.12518237145897 18.998 7 F 0.36788068579181 0.57284821414579 0.62518237145897 18.998 8 F 0.63211931420819 0.07284821414579 0.87481762854103 18.998 9 F 0.50457942731677 0.77201034531646 0.70273708856282 18.998 10 F 0.49542057268323 0.27201034531646 0.79726291143718 18.998 11 F 0.49542057268323 0.22798965468354 0.29726291143718 18.998 12 F 0.50457942731677 0.72798965468354 0.20273708856282 18.998 13 F 0.50529292229528 0.60403431969027 0.92658644157822 18.998 14 F 0.49470707770472 0.10403431969028 0.57341355842178 18.998 15 F 0.49470707770472 0.39596568030973 0.07341355842178 18.998 16 F 0.50529292229528 0.89596568030973 0.42658644157822 18.998 17 F 0.98819850552280 0.75590832175984 0.69370864235290 18.998 18 F 0.01180149447720 0.25590832175984 0.80629135764710 18.998 19 F 0.01180149447720 0.24409167824016 0.30629135764710 18.998 20 F 0.98819850552280 0.74409167824016 0.19370864235290 18.998 21 F 0.98670373669176 0.60426009218091 0.91129906107177 18.998 22 F 0.01329626330824 0.10426009218091 0.58870093892823 18.998 23 F 0.01329626330824 0.39573990781909 0.08870093892823 18.998 24 F 0.98670373669176 0.89573990781909 0.41129906107177 18.998 25 F 0.19726281865461 0.95738746144658 0.78795307021987 18.998 26 F 0.80273718134539 0.45738746144658 0.71204692978013 18.998 27 F 0.80273718134539 0.04261253855342 0.21204692978013 18.998 28 F 0.19726281865461 0.54261253855342 0.28795307021987 18.998 29 Sr 0.23508039394765 0.72120772292847 0.44618772412929 87.620 30 Sr 0.76491960605235 0.22120772292847 0.05381227587071 87.620 31 Sr 0.76491960605235 0.27879227707153 0.55381227587071 87.620 32 Sr 0.23508039394765 0.77879227707153 0.94618772412929 87.620 33 Sr 0.76416826269238 0.93813700530831 0.67587456956598 87.620 34 Sr 0.23583173730762 0.43813700530831 0.82412543043402 87.620 35 Sr 0.23583173730762 0.06186299469169 0.32412543043402 87.620 36 Sr 0.76416826269238 0.56186299469169 0.17587456956598 87.620 37 In 0.72069258276876 0.62517454617216 0.71290871792692 114.818 38 In 0.27930741723124 0.12517454617217 0.78709128207308 114.818 39 In 0.27930741723124 0.37482545382783 0.28709128207308 114.818 40 In 0.72069258276876 0.87482545382784 0.21290871792691 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.935311540180445 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252988680000003 0.000000000000000 c -0.101087613937447 0.000000000000000 8.279631579419384 Atomic positions (fractional): 1 F 0.10227454514731 0.14127453191271 0.03536782935187 18.998 > 1 2 F 0.60227454514731 0.14127453191271 0.03536782935187 18.998 > 1 3 F 0.39772545485269 0.64127453191271 0.46463217064813 18.998 > 3 4 F 0.89772545485269 0.64127453191271 0.46463217064813 18.998 > 3 5 F 0.39772545485269 0.85872546808729 0.96463217064813 18.998 > 5 6 F 0.89772545485269 0.85872546808729 0.96463217064813 18.998 > 5 7 F 0.10227454514731 0.35872546808729 0.53536782935187 18.998 > 7 8 F 0.60227454514731 0.35872546808729 0.53536782935187 18.998 > 7 9 F 0.31605965710410 0.42715178585421 0.37481762854103 18.998 > 9 10 F 0.81605965710410 0.42715178585421 0.37481762854103 18.998 > 9 11 F 0.18394034289590 0.92715178585421 0.12518237145897 18.998 > 11 12 F 0.68394034289590 0.92715178585421 0.12518237145897 18.998 > 11 13 F 0.18394034289590 0.57284821414579 0.62518237145897 18.998 > 13 14 F 0.68394034289590 0.57284821414579 0.62518237145897 18.998 > 13 15 F 0.31605965710410 0.07284821414579 0.87481762854103 18.998 > 15 16 F 0.81605965710410 0.07284821414579 0.87481762854103 18.998 > 15 17 F 0.25228971365839 0.77201034531646 0.70273708856282 18.998 > 17 18 F 0.75228971365839 0.77201034531646 0.70273708856282 18.998 > 17 19 F 0.24771028634161 0.27201034531646 0.79726291143718 18.998 > 19 20 F 0.74771028634161 0.27201034531646 0.79726291143718 18.998 > 19 21 F 0.24771028634161 0.22798965468354 0.29726291143718 18.998 > 21 22 F 0.74771028634161 0.22798965468354 0.29726291143718 18.998 > 21 23 F 0.25228971365839 0.72798965468354 0.20273708856282 18.998 > 23 24 F 0.75228971365839 0.72798965468354 0.20273708856282 18.998 > 23 25 F 0.25264646114764 0.60403431969027 0.92658644157822 18.998 > 25 26 F 0.75264646114764 0.60403431969027 0.92658644157822 18.998 > 25 27 F 0.24735353885236 0.10403431969028 0.57341355842178 18.998 > 27 28 F 0.74735353885236 0.10403431969028 0.57341355842178 18.998 > 27 29 F 0.24735353885236 0.39596568030973 0.07341355842178 18.998 > 29 30 F 0.74735353885236 0.39596568030973 0.07341355842178 18.998 > 29 31 F 0.25264646114764 0.89596568030973 0.42658644157822 18.998 > 31 32 F 0.75264646114764 0.89596568030973 0.42658644157822 18.998 > 31 33 F 0.49409925276140 0.75590832175984 0.69370864235290 18.998 > 33 34 F 0.99409925276140 0.75590832175984 0.69370864235290 18.998 > 33 35 F 0.00590074723860 0.25590832175984 0.80629135764710 18.998 > 35 36 F 0.50590074723860 0.25590832175984 0.80629135764710 18.998 > 35 37 F 0.00590074723860 0.24409167824016 0.30629135764710 18.998 > 37 38 F 0.50590074723860 0.24409167824016 0.30629135764710 18.998 > 37 39 F 0.49409925276140 0.74409167824016 0.19370864235290 18.998 > 39 40 F 0.99409925276140 0.74409167824016 0.19370864235290 18.998 > 39 41 F 0.49335186834588 0.60426009218091 0.91129906107177 18.998 > 41 42 F 0.99335186834588 0.60426009218091 0.91129906107177 18.998 > 41 43 F 0.00664813165412 0.10426009218091 0.58870093892823 18.998 > 43 44 F 0.50664813165412 0.10426009218091 0.58870093892823 18.998 > 43 45 F 0.00664813165412 0.39573990781909 0.08870093892823 18.998 > 45 46 F 0.50664813165412 0.39573990781909 0.08870093892823 18.998 > 45 47 F 0.49335186834588 0.89573990781909 0.41129906107177 18.998 > 47 48 F 0.99335186834588 0.89573990781909 0.41129906107177 18.998 > 47 49 F 0.09863140932731 0.95738746144658 0.78795307021987 18.998 > 49 50 F 0.59863140932730 0.95738746144658 0.78795307021987 18.998 > 49 51 F 0.40136859067269 0.45738746144658 0.71204692978013 18.998 > 51 52 F 0.90136859067269 0.45738746144658 0.71204692978013 18.998 > 51 53 F 0.40136859067269 0.04261253855342 0.21204692978013 18.998 > 53 54 F 0.90136859067269 0.04261253855342 0.21204692978013 18.998 > 53 55 F 0.09863140932731 0.54261253855342 0.28795307021987 18.998 > 55 56 F 0.59863140932730 0.54261253855342 0.28795307021987 18.998 > 55 57 Sr 0.11754019697383 0.72120772292847 0.44618772412929 87.620 > 57 58 Sr 0.61754019697383 0.72120772292847 0.44618772412929 87.620 > 57 59 Sr 0.38245980302617 0.22120772292847 0.05381227587071 87.620 > 59 60 Sr 0.88245980302617 0.22120772292847 0.05381227587071 87.620 > 59 61 Sr 0.38245980302617 0.27879227707153 0.55381227587071 87.620 > 61 62 Sr 0.88245980302617 0.27879227707153 0.55381227587071 87.620 > 61 63 Sr 0.11754019697383 0.77879227707153 0.94618772412929 87.620 > 63 64 Sr 0.61754019697383 0.77879227707153 0.94618772412929 87.620 > 63 65 Sr 0.38208413134619 0.93813700530831 0.67587456956598 87.620 > 65 66 Sr 0.88208413134619 0.93813700530831 0.67587456956598 87.620 > 65 67 Sr 0.11791586865381 0.43813700530831 0.82412543043402 87.620 > 67 68 Sr 0.61791586865381 0.43813700530831 0.82412543043402 87.620 > 67 69 Sr 0.11791586865381 0.06186299469169 0.32412543043402 87.620 > 69 70 Sr 0.61791586865381 0.06186299469169 0.32412543043402 87.620 > 69 71 Sr 0.38208413134619 0.56186299469169 0.17587456956598 87.620 > 71 72 Sr 0.88208413134619 0.56186299469169 0.17587456956598 87.620 > 71 73 In 0.36034629138438 0.62517454617216 0.71290871792692 114.818 > 73 74 In 0.86034629138438 0.62517454617216 0.71290871792692 114.818 > 73 75 In 0.13965370861562 0.12517454617217 0.78709128207308 114.818 > 75 76 In 0.63965370861562 0.12517454617217 0.78709128207308 114.818 > 75 77 In 0.13965370861562 0.37482545382783 0.28709128207308 114.818 > 77 78 In 0.63965370861562 0.37482545382783 0.28709128207308 114.818 > 77 79 In 0.36034629138438 0.87482545382784 0.21290871792691 114.818 > 79 80 In 0.86034629138438 0.87482545382784 0.21290871792691 114.818 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4537421 0.0000000 0.0120010 0.0000000 2.4716434 0.0000000 0.0120012 0.0000000 2.4713176 -------------------------- Born effective charges -------------------------- 1 F -1.0657050 0.0886437 0.1229662 0.0832349 -0.8485836 0.0429393 0.1162086 0.0300127 -1.5075990 2 F -1.0657050 -0.0886437 0.1229662 -0.0832349 -0.8485836 -0.0429393 0.1162086 -0.0300127 -1.5075990 3 F -1.0657050 0.0886437 0.1229662 0.0832349 -0.8485836 0.0429393 0.1162086 0.0300127 -1.5075990 4 F -1.0657050 -0.0886437 0.1229662 -0.0832349 -0.8485836 -0.0429393 0.1162086 -0.0300127 -1.5075990 5 F -1.2304606 -0.1019635 -0.1227246 -0.1266363 -1.1293769 0.2543608 -0.1281434 0.2442330 -1.0741371 6 F -1.2304606 0.1019635 -0.1227246 0.1266363 -1.1293769 -0.2543608 -0.1281434 -0.2442330 -1.0741371 7 F -1.2304606 -0.1019635 -0.1227246 -0.1266363 -1.1293769 0.2543608 -0.1281434 0.2442330 -1.0741371 8 F -1.2304606 0.1019635 -0.1227246 0.1266363 -1.1293769 -0.2543608 -0.1281434 -0.2442330 -1.0741371 9 F -1.1504768 0.0381523 0.0516786 0.0536013 -1.2904436 -0.0222217 0.0464938 -0.0180687 -1.0797542 10 F -1.1504768 -0.0381523 0.0516786 -0.0536013 -1.2904436 0.0222217 0.0464938 0.0180687 -1.0797542 11 F -1.1504768 0.0381523 0.0516786 0.0536013 -1.2904436 -0.0222217 0.0464938 -0.0180687 -1.0797542 12 F -1.1504768 -0.0381523 0.0516786 -0.0536013 -1.2904436 0.0222217 0.0464938 0.0180687 -1.0797542 13 F -1.1189253 0.0103891 0.0503198 0.0235839 -1.0553673 0.0221596 0.0523673 0.0244285 -1.2808755 14 F -1.1189253 -0.0103891 0.0503198 -0.0235839 -1.0553673 -0.0221596 0.0523673 -0.0244285 -1.2808755 15 F -1.1189253 0.0103891 0.0503198 0.0235839 -1.0553673 0.0221596 0.0523673 0.0244285 -1.2808755 16 F -1.1189253 -0.0103891 0.0503198 -0.0235839 -1.0553673 -0.0221596 0.0523673 -0.0244285 -1.2808755 17 F -1.1933472 -0.1202029 0.0125453 -0.1200477 -1.2125051 -0.0303479 0.0111515 -0.0524334 -1.1612082 18 F -1.1933472 0.1202029 0.0125453 0.1200477 -1.2125051 0.0303479 0.0111515 0.0524334 -1.1612082 19 F -1.1933472 -0.1202029 0.0125453 -0.1200477 -1.2125051 -0.0303479 0.0111515 -0.0524334 -1.1612082 20 F -1.1933472 0.1202029 0.0125453 0.1200477 -1.2125051 0.0303479 0.0111515 0.0524334 -1.1612082 21 F -1.1646100 0.0171484 -0.1091813 -0.0026513 -1.1271561 0.0019984 -0.0938284 -0.0057620 -1.2248261 22 F -1.1646100 -0.0171484 -0.1091813 0.0026513 -1.1271561 -0.0019984 -0.0938284 0.0057620 -1.2248261 23 F -1.1646100 0.0171484 -0.1091813 -0.0026513 -1.1271561 0.0019984 -0.0938284 -0.0057620 -1.2248261 24 F -1.1646100 -0.0171484 -0.1091813 0.0026513 -1.1271561 -0.0019984 -0.0938284 0.0057620 -1.2248261 25 F -1.0981218 -0.1560559 -0.0966318 -0.1338209 -1.5012794 0.1173915 -0.0912853 0.1580755 -0.8589537 26 F -1.0981218 0.1560559 -0.0966318 0.1338209 -1.5012794 -0.1173915 -0.0912853 -0.1580755 -0.8589537 27 F -1.0981218 -0.1560559 -0.0966318 -0.1338209 -1.5012794 0.1173915 -0.0912853 0.1580755 -0.8589537 28 F -1.0981218 0.1560559 -0.0966318 0.1338209 -1.5012794 -0.1173915 -0.0912853 -0.1580755 -0.8589537 29 Sr 2.5229603 -0.0465525 0.0473861 0.0012237 2.4141637 -0.0986508 0.0075610 -0.1552415 2.5860351 30 Sr 2.5229603 0.0465525 0.0473861 -0.0012237 2.4141637 0.0986508 0.0075610 0.1552415 2.5860351 31 Sr 2.5229603 -0.0465525 0.0473861 0.0012237 2.4141637 -0.0986508 0.0075610 -0.1552415 2.5860351 32 Sr 2.5229603 0.0465525 0.0473861 -0.0012237 2.4141637 0.0986508 0.0075610 0.1552415 2.5860351 33 Sr 2.3505548 -0.0246355 -0.0066462 0.0231584 2.6512227 0.0779517 0.0356722 0.0042920 2.5215160 34 Sr 2.3505548 0.0246355 -0.0066462 -0.0231584 2.6512227 -0.0779517 0.0356722 -0.0042920 2.5215160 35 Sr 2.3505548 -0.0246355 -0.0066462 0.0231584 2.6512227 0.0779517 0.0356722 0.0042920 2.5215160 36 Sr 2.3505548 0.0246355 -0.0066462 -0.0231584 2.6512227 -0.0779517 0.0356722 -0.0042920 2.5215160 37 In 3.1481315 0.0407093 0.0502879 0.0494071 3.0993255 -0.0957854 0.0438026 -0.0400744 3.0798027 38 In 3.1481315 -0.0407093 0.0502879 -0.0494071 3.0993255 0.0957854 0.0438026 0.0400744 3.0798027 39 In 3.1481315 0.0407093 0.0502879 0.0494071 3.0993255 -0.0957854 0.0438026 -0.0400744 3.0798027 40 In 3.1481315 -0.0407093 0.0502879 -0.0494071 3.0993255 0.0957854 0.0438026 0.0400744 3.0798027 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 65, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (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 00:28:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:28:15]------------------------- 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 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.467655770090222 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252988680000003 0.000000000000000 c -0.101087613937447 0.000000000000000 8.279631579419384 Atomic positions (fractional): 1 F 0.20454909029462 0.14127453191271 0.03536782935187 18.998 2 F 0.79545090970538 0.64127453191271 0.46463217064813 18.998 3 F 0.79545090970538 0.85872546808729 0.96463217064813 18.998 4 F 0.20454909029462 0.35872546808729 0.53536782935187 18.998 5 F 0.63211931420819 0.42715178585421 0.37481762854103 18.998 6 F 0.36788068579181 0.92715178585421 0.12518237145897 18.998 7 F 0.36788068579181 0.57284821414579 0.62518237145897 18.998 8 F 0.63211931420819 0.07284821414579 0.87481762854103 18.998 9 F 0.50457942731677 0.77201034531646 0.70273708856282 18.998 10 F 0.49542057268323 0.27201034531646 0.79726291143718 18.998 11 F 0.49542057268323 0.22798965468354 0.29726291143718 18.998 12 F 0.50457942731677 0.72798965468354 0.20273708856282 18.998 13 F 0.50529292229528 0.60403431969027 0.92658644157822 18.998 14 F 0.49470707770472 0.10403431969028 0.57341355842178 18.998 15 F 0.49470707770472 0.39596568030973 0.07341355842178 18.998 16 F 0.50529292229528 0.89596568030973 0.42658644157822 18.998 17 F 0.98819850552280 0.75590832175984 0.69370864235290 18.998 18 F 0.01180149447720 0.25590832175984 0.80629135764710 18.998 19 F 0.01180149447720 0.24409167824016 0.30629135764710 18.998 20 F 0.98819850552280 0.74409167824016 0.19370864235290 18.998 21 F 0.98670373669176 0.60426009218091 0.91129906107177 18.998 22 F 0.01329626330824 0.10426009218091 0.58870093892823 18.998 23 F 0.01329626330824 0.39573990781909 0.08870093892823 18.998 24 F 0.98670373669176 0.89573990781909 0.41129906107177 18.998 25 F 0.19726281865461 0.95738746144658 0.78795307021987 18.998 26 F 0.80273718134539 0.45738746144658 0.71204692978013 18.998 27 F 0.80273718134539 0.04261253855342 0.21204692978013 18.998 28 F 0.19726281865461 0.54261253855342 0.28795307021987 18.998 29 Sr 0.23508039394765 0.72120772292847 0.44618772412929 87.620 30 Sr 0.76491960605235 0.22120772292847 0.05381227587071 87.620 31 Sr 0.76491960605235 0.27879227707153 0.55381227587071 87.620 32 Sr 0.23508039394765 0.77879227707153 0.94618772412929 87.620 33 Sr 0.76416826269238 0.93813700530831 0.67587456956598 87.620 34 Sr 0.23583173730762 0.43813700530831 0.82412543043402 87.620 35 Sr 0.23583173730762 0.06186299469169 0.32412543043402 87.620 36 Sr 0.76416826269238 0.56186299469169 0.17587456956598 87.620 37 In 0.72069258276876 0.62517454617216 0.71290871792692 114.818 38 In 0.27930741723124 0.12517454617217 0.78709128207308 114.818 39 In 0.27930741723124 0.37482545382783 0.28709128207308 114.818 40 In 0.72069258276876 0.87482545382784 0.21290871792691 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.935311540180445 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252988680000003 0.000000000000000 c -0.101087613937447 0.000000000000000 8.279631579419384 Atomic positions (fractional): 1 F 0.10227454514731 0.14127453191271 0.03536782935187 18.998 > 1 2 F 0.60227454514731 0.14127453191271 0.03536782935187 18.998 > 1 3 F 0.39772545485269 0.64127453191271 0.46463217064813 18.998 > 3 4 F 0.89772545485269 0.64127453191271 0.46463217064813 18.998 > 3 5 F 0.39772545485269 0.85872546808729 0.96463217064813 18.998 > 5 6 F 0.89772545485269 0.85872546808729 0.96463217064813 18.998 > 5 7 F 0.10227454514731 0.35872546808729 0.53536782935187 18.998 > 7 8 F 0.60227454514731 0.35872546808729 0.53536782935187 18.998 > 7 9 F 0.31605965710410 0.42715178585421 0.37481762854103 18.998 > 9 10 F 0.81605965710410 0.42715178585421 0.37481762854103 18.998 > 9 11 F 0.18394034289590 0.92715178585421 0.12518237145897 18.998 > 11 12 F 0.68394034289590 0.92715178585421 0.12518237145897 18.998 > 11 13 F 0.18394034289590 0.57284821414579 0.62518237145897 18.998 > 13 14 F 0.68394034289590 0.57284821414579 0.62518237145897 18.998 > 13 15 F 0.31605965710410 0.07284821414579 0.87481762854103 18.998 > 15 16 F 0.81605965710410 0.07284821414579 0.87481762854103 18.998 > 15 17 F 0.25228971365839 0.77201034531646 0.70273708856282 18.998 > 17 18 F 0.75228971365839 0.77201034531646 0.70273708856282 18.998 > 17 19 F 0.24771028634161 0.27201034531646 0.79726291143718 18.998 > 19 20 F 0.74771028634161 0.27201034531646 0.79726291143718 18.998 > 19 21 F 0.24771028634161 0.22798965468354 0.29726291143718 18.998 > 21 22 F 0.74771028634161 0.22798965468354 0.29726291143718 18.998 > 21 23 F 0.25228971365839 0.72798965468354 0.20273708856282 18.998 > 23 24 F 0.75228971365839 0.72798965468354 0.20273708856282 18.998 > 23 25 F 0.25264646114764 0.60403431969027 0.92658644157822 18.998 > 25 26 F 0.75264646114764 0.60403431969027 0.92658644157822 18.998 > 25 27 F 0.24735353885236 0.10403431969028 0.57341355842178 18.998 > 27 28 F 0.74735353885236 0.10403431969028 0.57341355842178 18.998 > 27 29 F 0.24735353885236 0.39596568030973 0.07341355842178 18.998 > 29 30 F 0.74735353885236 0.39596568030973 0.07341355842178 18.998 > 29 31 F 0.25264646114764 0.89596568030973 0.42658644157822 18.998 > 31 32 F 0.75264646114764 0.89596568030973 0.42658644157822 18.998 > 31 33 F 0.49409925276140 0.75590832175984 0.69370864235290 18.998 > 33 34 F 0.99409925276140 0.75590832175984 0.69370864235290 18.998 > 33 35 F 0.00590074723860 0.25590832175984 0.80629135764710 18.998 > 35 36 F 0.50590074723860 0.25590832175984 0.80629135764710 18.998 > 35 37 F 0.00590074723860 0.24409167824016 0.30629135764710 18.998 > 37 38 F 0.50590074723860 0.24409167824016 0.30629135764710 18.998 > 37 39 F 0.49409925276140 0.74409167824016 0.19370864235290 18.998 > 39 40 F 0.99409925276140 0.74409167824016 0.19370864235290 18.998 > 39 41 F 0.49335186834588 0.60426009218091 0.91129906107177 18.998 > 41 42 F 0.99335186834588 0.60426009218091 0.91129906107177 18.998 > 41 43 F 0.00664813165412 0.10426009218091 0.58870093892823 18.998 > 43 44 F 0.50664813165412 0.10426009218091 0.58870093892823 18.998 > 43 45 F 0.00664813165412 0.39573990781909 0.08870093892823 18.998 > 45 46 F 0.50664813165412 0.39573990781909 0.08870093892823 18.998 > 45 47 F 0.49335186834588 0.89573990781909 0.41129906107177 18.998 > 47 48 F 0.99335186834588 0.89573990781909 0.41129906107177 18.998 > 47 49 F 0.09863140932731 0.95738746144658 0.78795307021987 18.998 > 49 50 F 0.59863140932730 0.95738746144658 0.78795307021987 18.998 > 49 51 F 0.40136859067269 0.45738746144658 0.71204692978013 18.998 > 51 52 F 0.90136859067269 0.45738746144658 0.71204692978013 18.998 > 51 53 F 0.40136859067269 0.04261253855342 0.21204692978013 18.998 > 53 54 F 0.90136859067269 0.04261253855342 0.21204692978013 18.998 > 53 55 F 0.09863140932731 0.54261253855342 0.28795307021987 18.998 > 55 56 F 0.59863140932730 0.54261253855342 0.28795307021987 18.998 > 55 57 Sr 0.11754019697383 0.72120772292847 0.44618772412929 87.620 > 57 58 Sr 0.61754019697383 0.72120772292847 0.44618772412929 87.620 > 57 59 Sr 0.38245980302617 0.22120772292847 0.05381227587071 87.620 > 59 60 Sr 0.88245980302617 0.22120772292847 0.05381227587071 87.620 > 59 61 Sr 0.38245980302617 0.27879227707153 0.55381227587071 87.620 > 61 62 Sr 0.88245980302617 0.27879227707153 0.55381227587071 87.620 > 61 63 Sr 0.11754019697383 0.77879227707153 0.94618772412929 87.620 > 63 64 Sr 0.61754019697383 0.77879227707153 0.94618772412929 87.620 > 63 65 Sr 0.38208413134619 0.93813700530831 0.67587456956598 87.620 > 65 66 Sr 0.88208413134619 0.93813700530831 0.67587456956598 87.620 > 65 67 Sr 0.11791586865381 0.43813700530831 0.82412543043402 87.620 > 67 68 Sr 0.61791586865381 0.43813700530831 0.82412543043402 87.620 > 67 69 Sr 0.11791586865381 0.06186299469169 0.32412543043402 87.620 > 69 70 Sr 0.61791586865381 0.06186299469169 0.32412543043402 87.620 > 69 71 Sr 0.38208413134619 0.56186299469169 0.17587456956598 87.620 > 71 72 Sr 0.88208413134619 0.56186299469169 0.17587456956598 87.620 > 71 73 In 0.36034629138438 0.62517454617216 0.71290871792692 114.818 > 73 74 In 0.86034629138438 0.62517454617216 0.71290871792692 114.818 > 73 75 In 0.13965370861562 0.12517454617217 0.78709128207308 114.818 > 75 76 In 0.63965370861562 0.12517454617217 0.78709128207308 114.818 > 75 77 In 0.13965370861562 0.37482545382783 0.28709128207308 114.818 > 77 78 In 0.63965370861562 0.37482545382783 0.28709128207308 114.818 > 77 79 In 0.36034629138438 0.87482545382784 0.21290871792691 114.818 > 79 80 In 0.86034629138438 0.87482545382784 0.21290871792691 114.818 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4537421 0.0000000 0.0120010 0.0000000 2.4716434 0.0000000 0.0120012 0.0000000 2.4713176 -------------------------- Born effective charges -------------------------- 1 F -1.0657050 0.0886437 0.1229662 0.0832349 -0.8485836 0.0429393 0.1162086 0.0300127 -1.5075990 2 F -1.0657050 -0.0886437 0.1229662 -0.0832349 -0.8485836 -0.0429393 0.1162086 -0.0300127 -1.5075990 3 F -1.0657050 0.0886437 0.1229662 0.0832349 -0.8485836 0.0429393 0.1162086 0.0300127 -1.5075990 4 F -1.0657050 -0.0886437 0.1229662 -0.0832349 -0.8485836 -0.0429393 0.1162086 -0.0300127 -1.5075990 5 F -1.2304606 -0.1019635 -0.1227246 -0.1266363 -1.1293769 0.2543608 -0.1281434 0.2442330 -1.0741371 6 F -1.2304606 0.1019635 -0.1227246 0.1266363 -1.1293769 -0.2543608 -0.1281434 -0.2442330 -1.0741371 7 F -1.2304606 -0.1019635 -0.1227246 -0.1266363 -1.1293769 0.2543608 -0.1281434 0.2442330 -1.0741371 8 F -1.2304606 0.1019635 -0.1227246 0.1266363 -1.1293769 -0.2543608 -0.1281434 -0.2442330 -1.0741371 9 F -1.1504768 0.0381523 0.0516786 0.0536013 -1.2904436 -0.0222217 0.0464938 -0.0180687 -1.0797542 10 F -1.1504768 -0.0381523 0.0516786 -0.0536013 -1.2904436 0.0222217 0.0464938 0.0180687 -1.0797542 11 F -1.1504768 0.0381523 0.0516786 0.0536013 -1.2904436 -0.0222217 0.0464938 -0.0180687 -1.0797542 12 F -1.1504768 -0.0381523 0.0516786 -0.0536013 -1.2904436 0.0222217 0.0464938 0.0180687 -1.0797542 13 F -1.1189253 0.0103891 0.0503198 0.0235839 -1.0553673 0.0221596 0.0523673 0.0244285 -1.2808755 14 F -1.1189253 -0.0103891 0.0503198 -0.0235839 -1.0553673 -0.0221596 0.0523673 -0.0244285 -1.2808755 15 F -1.1189253 0.0103891 0.0503198 0.0235839 -1.0553673 0.0221596 0.0523673 0.0244285 -1.2808755 16 F -1.1189253 -0.0103891 0.0503198 -0.0235839 -1.0553673 -0.0221596 0.0523673 -0.0244285 -1.2808755 17 F -1.1933472 -0.1202029 0.0125453 -0.1200477 -1.2125051 -0.0303479 0.0111515 -0.0524334 -1.1612082 18 F -1.1933472 0.1202029 0.0125453 0.1200477 -1.2125051 0.0303479 0.0111515 0.0524334 -1.1612082 19 F -1.1933472 -0.1202029 0.0125453 -0.1200477 -1.2125051 -0.0303479 0.0111515 -0.0524334 -1.1612082 20 F -1.1933472 0.1202029 0.0125453 0.1200477 -1.2125051 0.0303479 0.0111515 0.0524334 -1.1612082 21 F -1.1646100 0.0171484 -0.1091813 -0.0026513 -1.1271561 0.0019984 -0.0938284 -0.0057620 -1.2248261 22 F -1.1646100 -0.0171484 -0.1091813 0.0026513 -1.1271561 -0.0019984 -0.0938284 0.0057620 -1.2248261 23 F -1.1646100 0.0171484 -0.1091813 -0.0026513 -1.1271561 0.0019984 -0.0938284 -0.0057620 -1.2248261 24 F -1.1646100 -0.0171484 -0.1091813 0.0026513 -1.1271561 -0.0019984 -0.0938284 0.0057620 -1.2248261 25 F -1.0981218 -0.1560559 -0.0966318 -0.1338209 -1.5012794 0.1173915 -0.0912853 0.1580755 -0.8589537 26 F -1.0981218 0.1560559 -0.0966318 0.1338209 -1.5012794 -0.1173915 -0.0912853 -0.1580755 -0.8589537 27 F -1.0981218 -0.1560559 -0.0966318 -0.1338209 -1.5012794 0.1173915 -0.0912853 0.1580755 -0.8589537 28 F -1.0981218 0.1560559 -0.0966318 0.1338209 -1.5012794 -0.1173915 -0.0912853 -0.1580755 -0.8589537 29 Sr 2.5229603 -0.0465525 0.0473861 0.0012237 2.4141637 -0.0986508 0.0075610 -0.1552415 2.5860351 30 Sr 2.5229603 0.0465525 0.0473861 -0.0012237 2.4141637 0.0986508 0.0075610 0.1552415 2.5860351 31 Sr 2.5229603 -0.0465525 0.0473861 0.0012237 2.4141637 -0.0986508 0.0075610 -0.1552415 2.5860351 32 Sr 2.5229603 0.0465525 0.0473861 -0.0012237 2.4141637 0.0986508 0.0075610 0.1552415 2.5860351 33 Sr 2.3505548 -0.0246355 -0.0066462 0.0231584 2.6512227 0.0779517 0.0356722 0.0042920 2.5215160 34 Sr 2.3505548 0.0246355 -0.0066462 -0.0231584 2.6512227 -0.0779517 0.0356722 -0.0042920 2.5215160 35 Sr 2.3505548 -0.0246355 -0.0066462 0.0231584 2.6512227 0.0779517 0.0356722 0.0042920 2.5215160 36 Sr 2.3505548 0.0246355 -0.0066462 -0.0231584 2.6512227 -0.0779517 0.0356722 -0.0042920 2.5215160 37 In 3.1481315 0.0407093 0.0502879 0.0494071 3.0993255 -0.0957854 0.0438026 -0.0400744 3.0798027 38 In 3.1481315 -0.0407093 0.0502879 -0.0494071 3.0993255 0.0957854 0.0438026 0.0400744 3.0798027 39 In 3.1481315 0.0407093 0.0502879 0.0494071 3.0993255 -0.0957854 0.0438026 -0.0400744 3.0798027 40 In 3.1481315 -0.0407093 0.0502879 -0.0494071 3.0993255 0.0957854 0.0438026 0.0400744 3.0798027 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 9 4 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: 0.51, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 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 1.883 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.637 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.194 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.160 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 0.000) 0.000 10.821 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 11.548 ( 0.000 0.000 0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.563 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.857 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.429 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 13.718 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.882 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 27.551 0.000 1.173) 27.576 0.573 ( 28.024 0.000 1.558) 28.067 0.857 ( 40.244 0.000 -3.054) 40.359 1.806 ( -13.040 0.000 3.940) 13.622 1.956 ( 6.271 0.000 -0.085) 6.272 2.214 ( 0.963 0.000 -0.946) 1.350 2.227 ( -1.770 0.000 3.468) 3.894 2.336 ( -2.182 0.000 -0.988) 2.395 2.345 ( 4.853 0.000 0.438) 4.873 2.548 ( -3.480 0.000 -5.694) 6.673 2.796 ( -6.817 0.000 0.785) 6.862 2.833 ( -3.717 0.000 -0.502) 3.750 2.857 ( -1.067 0.000 -4.000) 4.139 3.016 ( -10.012 0.000 5.834) 11.587 3.018 ( -4.379 0.000 -4.110) 6.006 3.242 ( -2.317 0.000 1.377) 2.695 3.257 ( 2.326 0.000 -1.979) 3.054 3.307 ( 1.988 0.000 7.919) 8.165 3.429 ( 3.283 0.000 4.554) 5.614 3.437 ( -5.866 0.000 -4.108) 7.161 3.461 ( 4.462 0.000 0.761) 4.526 3.499 ( -1.736 0.000 -6.965) 7.178 3.765 ( 8.420 0.000 2.403) 8.756 3.770 ( -0.638 0.000 -5.990) 6.024 3.835 ( -5.399 0.000 -0.411) 5.415 3.893 ( -4.819 0.000 1.242) 4.977 3.897 ( 0.623 0.000 -1.711) 1.821 4.023 ( -5.607 0.000 -0.669) 5.647 4.035 ( -0.872 0.000 -3.139) 3.257 4.203 ( 6.897 0.000 1.246) 7.009 4.253 ( -1.177 0.000 -1.421) 1.845 4.273 ( -4.517 0.000 5.061) 6.784 4.360 ( 2.586 0.000 3.421) 4.289 4.398 ( 3.556 0.000 -12.636) 13.127 4.557 ( 2.648 0.000 0.070) 2.649 4.636 ( 4.360 0.000 -1.476) 4.603 4.648 ( 5.463 0.000 -4.524) 7.093 4.815 ( 5.286 0.000 2.577) 5.881 4.836 ( 5.018 0.000 -3.378) 6.049 4.880 ( -4.022 0.000 2.656) 4.820 5.018 ( -3.796 0.000 1.234) 3.991 5.029 ( 1.426 0.000 -1.378) 1.983 5.136 ( -1.808 0.000 3.713) 4.130 5.207 ( -2.848 0.000 0.797) 2.958 5.328 ( 4.662 0.000 -0.831) 4.736 5.343 ( 1.100 0.000 0.572) 1.240 5.389 ( 1.170 0.000 -2.517) 2.776 5.427 ( -0.576 0.000 5.039) 5.072 5.573 ( 4.502 0.000 -0.194) 4.506 5.619 ( -0.445 0.000 -0.167) 0.476 5.685 ( 4.343 0.000 -1.465) 4.584 5.786 ( 7.674 0.000 -3.214) 8.320 5.829 ( 4.492 0.000 -3.324) 5.588 5.868 ( 1.322 0.000 0.356) 1.369 5.906 ( 2.029 0.000 -0.637) 2.127 5.926 ( 1.868 0.000 2.663) 3.253 6.122 ( -2.141 0.000 0.266) 2.157 6.146 ( 10.703 0.000 2.959) 11.104 6.234 ( 0.465 0.000 -1.520) 1.590 6.386 ( 1.834 0.000 8.500) 8.695 6.458 ( 5.402 0.000 -5.574) 7.762 6.493 ( 1.391 0.000 -0.865) 1.638 6.671 ( 3.202 0.000 1.378) 3.486 6.927 ( -1.494 0.000 4.875) 5.099 7.044 ( 0.868 0.000 -1.264) 1.534 7.101 ( -1.728 0.000 10.554) 10.694 7.138 ( 5.986 0.000 0.629) 6.019 7.230 ( 5.900 0.000 4.244) 7.268 7.289 ( 7.037 0.000 -1.042) 7.114 7.448 ( 8.541 0.000 0.369) 8.549 7.530 ( 6.860 0.000 -5.288) 8.662 7.715 ( 4.342 0.000 3.167) 5.374 7.898 ( 4.304 0.000 0.476) 4.330 8.071 ( 6.693 0.000 -0.037) 6.693 8.107 ( -0.048 0.000 -0.987) 0.988 8.136 ( 1.792 0.000 1.282) 2.204 8.186 ( -0.053 0.000 -1.582) 1.583 8.480 ( 2.769 0.000 1.725) 3.263 8.601 ( 0.676 0.000 -6.467) 6.502 8.745 ( 6.013 0.000 0.617) 6.045 8.985 ( -0.114 0.000 -0.567) 0.578 9.002 ( 1.626 0.000 0.466) 1.691 9.182 ( -1.012 0.000 -1.061) 1.466 9.186 ( -2.561 0.000 -6.013) 6.535 9.221 ( -0.924 0.000 4.922) 5.008 9.369 ( 2.024 0.000 -0.559) 2.100 9.448 ( -0.040 0.000 0.760) 0.761 9.516 ( -1.709 0.000 0.593) 1.809 9.555 ( 0.537 0.000 7.450) 7.470 9.620 ( -1.972 0.000 -1.332) 2.380 9.667 ( 4.290 0.000 -1.716) 4.620 9.826 ( -2.387 0.000 1.755) 2.963 9.964 ( -0.789 0.000 6.831) 6.877 10.083 ( -2.755 0.000 -18.113) 18.321 10.136 ( -2.235 0.000 -0.092) 2.236 10.137 ( -0.143 0.000 -0.829) 0.842 10.354 ( -2.928 0.000 0.761) 3.025 10.464 ( -1.120 0.000 -0.416) 1.195 10.632 ( -1.294 0.000 0.137) 1.301 10.654 ( -1.771 0.000 13.809) 13.922 10.762 ( -4.622 0.000 -2.089) 5.073 10.880 ( 0.793 0.000 1.943) 2.098 11.172 ( -3.665 0.000 -3.388) 4.991 11.317 ( -5.821 0.000 7.160) 9.228 11.479 ( -5.610 0.000 1.035) 5.704 11.504 ( -4.096 0.000 -0.687) 4.153 11.592 ( 0.190 0.000 -1.507) 1.519 11.911 ( 4.302 0.000 -5.849) 7.261 11.967 ( -4.319 0.000 27.459) 27.797 12.115 ( 2.369 0.000 9.629) 9.916 12.196 ( -2.143 0.000 1.011) 2.369 12.422 ( -0.716 0.000 1.646) 1.795 12.727 ( -2.417 0.000 5.504) 6.012 13.126 ( -5.975 0.000 -4.011) 7.196 13.165 ( -0.139 0.000 -42.728) 42.728 13.563 ( -1.767 0.000 3.804) 4.195 13.695 ( -1.569 0.000 0.847) 1.783 13.719 ( -0.381 0.000 -1.026) 1.095 13.762 ( -2.020 0.000 1.692) 2.635 13.854 ( -2.238 0.000 -1.569) 2.733 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 26.080 0.000 0.869) 26.094 1.134 ( 26.909 0.000 2.053) 26.987 1.502 ( -15.016 0.000 2.979) 15.309 1.587 ( 29.723 0.000 -4.586) 30.074 1.989 ( -7.494 0.000 -1.118) 7.577 2.070 ( -13.187 0.000 3.963) 13.770 2.260 ( 7.504 0.000 -2.202) 7.820 2.346 ( 3.279 0.000 0.773) 3.369 2.489 ( 8.352 0.000 -0.381) 8.361 2.519 ( 3.254 0.000 -2.823) 4.308 2.680 ( -6.170 0.000 -0.715) 6.211 2.744 ( -4.020 0.000 -5.324) 6.671 2.774 ( -10.532 0.000 9.029) 13.872 2.897 ( 3.100 0.000 -3.221) 4.470 2.917 ( -3.144 0.000 -0.072) 3.144 3.177 ( -3.538 0.000 -1.394) 3.803 3.231 ( -7.158 0.000 1.663) 7.348 3.259 ( -10.504 0.000 0.371) 10.510 3.366 ( 2.886 0.000 6.354) 6.979 3.424 ( -10.545 0.000 -2.623) 10.866 3.472 ( -1.093 0.000 3.199) 3.380 3.512 ( 1.214 0.000 -8.525) 8.611 3.657 ( -7.753 0.000 0.805) 7.795 3.781 ( 3.034 0.000 2.610) 4.002 3.818 ( -0.312 0.000 -8.134) 8.140 3.873 ( 2.518 0.000 3.880) 4.626 3.936 ( -3.067 0.000 0.503) 3.108 3.958 ( 1.422 0.000 -2.235) 2.649 4.088 ( 6.986 0.000 5.698) 9.015 4.149 ( -7.844 0.000 4.187) 8.892 4.270 ( 1.961 0.000 1.998) 2.800 4.322 ( 5.564 0.000 2.418) 6.066 4.409 ( -7.871 0.000 -3.786) 8.734 4.410 ( 2.317 0.000 -1.939) 3.021 4.528 ( -2.169 0.000 -7.503) 7.811 4.741 ( 5.000 0.000 -1.994) 5.383 4.776 ( 7.192 0.000 -3.206) 7.875 4.803 ( 2.009 0.000 0.286) 2.029 4.918 ( 3.919 0.000 1.652) 4.253 4.959 ( 4.336 0.000 -3.573) 5.619 5.005 ( -1.010 0.000 -0.410) 1.090 5.075 ( 3.095 0.000 -1.212) 3.324 5.120 ( 1.861 0.000 2.687) 3.269 5.169 ( 0.335 0.000 1.182) 1.228 5.331 ( 0.138 0.000 -3.485) 3.488 5.411 ( 0.498 0.000 0.485) 0.695 5.457 ( 5.290 0.000 0.995) 5.383 5.460 ( 2.283 0.000 6.273) 6.675 5.639 ( 0.292 0.000 -1.367) 1.398 5.645 ( 2.647 0.000 0.241) 2.658 5.764 ( 3.648 0.000 -2.142) 4.230 5.866 ( 3.048 0.000 0.559) 3.099 5.924 ( 4.801 0.000 -5.210) 7.084 5.935 ( 1.863 0.000 0.722) 1.998 5.964 ( 3.834 0.000 2.463) 4.557 6.020 ( 7.165 0.000 -2.381) 7.550 6.078 ( -0.651 0.000 -0.002) 0.651 6.335 ( 9.180 0.000 -0.484) 9.193 6.424 ( 13.687 0.000 3.407) 14.105 6.449 ( 3.977 0.000 4.760) 6.203 6.534 ( 2.670 0.000 -1.104) 2.889 6.594 ( 7.470 0.000 0.988) 7.535 6.755 ( 4.531 0.000 0.521) 4.561 6.963 ( 5.801 0.000 -0.200) 5.804 7.035 ( 0.060 0.000 -1.316) 1.318 7.077 ( -0.497 0.000 11.835) 11.846 7.264 ( 5.856 0.000 0.358) 5.867 7.373 ( 8.408 0.000 3.960) 9.294 7.506 ( 11.610 0.000 -1.790) 11.748 7.649 ( 10.676 0.000 -0.869) 10.711 7.693 ( 8.157 0.000 -5.393) 9.778 7.842 ( 8.124 0.000 6.265) 10.259 8.019 ( 6.534 0.000 -0.224) 6.538 8.117 ( 1.755 0.000 -3.757) 4.147 8.177 ( 1.516 0.000 -3.827) 4.116 8.192 ( 3.938 0.000 0.185) 3.942 8.269 ( 10.021 0.000 0.371) 10.028 8.563 ( 5.069 0.000 2.553) 5.676 8.614 ( 0.628 0.000 -6.359) 6.390 8.879 ( 4.597 0.000 0.072) 4.598 9.011 ( 4.590 0.000 1.420) 4.805 9.043 ( 2.198 0.000 -0.818) 2.345 9.126 ( -2.932 0.000 -5.173) 5.946 9.155 ( -1.361 0.000 -1.352) 1.918 9.212 ( 0.573 0.000 5.283) 5.314 9.318 ( -5.301 0.000 -1.911) 5.635 9.455 ( -4.327 0.000 2.608) 5.052 9.537 ( 3.338 0.000 -4.237) 5.394 9.544 ( -3.010 0.000 5.797) 6.532 9.581 ( 2.035 0.000 1.668) 2.631 9.753 ( -4.100 0.000 7.154) 8.245 9.768 ( 3.241 0.000 -3.936) 5.099 9.907 ( -2.989 0.000 5.374) 6.149 10.053 ( 0.321 0.000 -10.457) 10.462 10.073 ( -3.951 0.000 -0.441) 3.975 10.137 ( 0.239 0.000 -0.991) 1.020 10.279 ( -4.157 0.000 1.905) 4.572 10.439 ( -1.004 0.000 -0.306) 1.049 10.592 ( -2.622 0.000 0.071) 2.623 10.601 ( -4.065 0.000 0.671) 4.120 10.647 ( -6.112 0.000 1.882) 6.396 10.883 ( -0.593 0.000 1.898) 1.988 11.051 ( -8.026 0.000 -6.183) 10.132 11.198 ( -6.182 0.000 7.138) 9.443 11.348 ( -6.513 0.000 3.966) 7.626 11.400 ( -5.536 0.000 -0.930) 5.613 11.561 ( -3.308 0.000 -3.731) 4.986 11.873 ( -5.382 0.000 13.635) 14.659 11.980 ( 1.665 0.000 -6.431) 6.643 12.164 ( 2.309 0.000 3.088) 3.855 12.168 ( 0.353 0.000 1.532) 1.572 12.404 ( -1.047 0.000 3.492) 3.645 12.656 ( -4.662 0.000 10.487) 11.476 12.973 ( -8.049 0.000 -7.948) 11.312 13.149 ( -0.509 0.000 -21.117) 21.123 13.494 ( -5.368 0.000 2.910) 6.106 13.658 ( -1.961 0.000 0.547) 2.036 13.703 ( -2.791 0.000 0.686) 2.874 13.705 ( -0.972 0.000 -0.810) 1.265 13.824 ( -0.748 0.000 -1.615) 1.780 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -6.899 0.000 -1.809) 7.133 1.601 ( 0.936 0.000 3.252) 3.384 1.603 ( 18.182 0.000 1.562) 18.249 1.712 ( 8.505 0.000 -3.559) 9.219 1.792 ( -9.571 0.000 2.609) 9.920 2.138 ( 17.290 0.000 -5.062) 18.016 2.387 ( -1.449 0.000 -1.233) 1.903 2.438 ( 7.194 0.000 -4.138) 8.299 2.554 ( -2.093 0.000 17.131) 17.258 2.601 ( 6.344 0.000 -1.075) 6.434 2.625 ( -3.898 0.000 -7.081) 8.084 2.728 ( 12.480 0.000 3.370) 12.927 2.730 ( 0.692 0.000 -5.814) 5.855 2.835 ( -2.070 0.000 -1.383) 2.489 2.926 ( -20.059 0.000 0.593) 20.068 3.017 ( 3.667 0.000 3.612) 5.147 3.050 ( -10.068 0.000 1.148) 10.133 3.120 ( -0.603 0.000 -7.277) 7.302 3.192 ( -9.428 0.000 -2.138) 9.668 3.301 ( -11.308 0.000 5.166) 12.432 3.417 ( 0.755 0.000 1.249) 1.459 3.481 ( -5.398 0.000 -5.598) 7.777 3.578 ( -3.582 0.000 6.963) 7.830 3.801 ( -2.496 0.000 -1.923) 3.151 3.865 ( 2.188 0.000 -0.077) 2.190 3.894 ( -0.021 0.000 1.650) 1.651 3.918 ( -6.068 0.000 4.816) 7.747 3.974 ( -3.076 0.000 0.024) 3.076 3.975 ( 5.030 0.000 -0.536) 5.059 4.188 ( -7.709 0.000 -2.559) 8.123 4.223 ( 2.197 0.000 8.622) 8.897 4.316 ( 4.404 0.000 -0.523) 4.435 4.451 ( 5.486 0.000 -2.142) 5.889 4.467 ( 4.417 0.000 -2.232) 4.949 4.536 ( 1.421 0.000 -8.849) 8.962 4.831 ( 2.306 0.000 -3.941) 4.566 4.867 ( 1.386 0.000 -1.763) 2.242 4.874 ( 3.412 0.000 0.915) 3.533 4.935 ( -1.046 0.000 -0.959) 1.419 4.967 ( -0.749 0.000 0.587) 0.951 5.005 ( 1.317 0.000 -1.331) 1.873 5.145 ( 3.210 0.000 2.106) 3.839 5.190 ( 1.347 0.000 0.913) 1.627 5.243 ( 5.208 0.000 -0.968) 5.298 5.376 ( 2.530 0.000 -2.581) 3.615 5.401 ( -0.793 0.000 -1.127) 1.378 5.416 ( -5.499 0.000 2.675) 6.115 5.518 ( 3.902 0.000 5.629) 6.849 5.702 ( 2.645 0.000 -0.120) 2.648 5.708 ( 5.677 0.000 -2.549) 6.223 5.818 ( 1.953 0.000 -3.309) 3.842 5.906 ( -0.558 0.000 0.858) 1.024 5.962 ( 1.664 0.000 0.261) 1.685 5.994 ( 0.101 0.000 5.200) 5.201 6.047 ( 5.614 0.000 -2.263) 6.053 6.078 ( 2.737 0.000 1.727) 3.237 6.185 ( 5.594 0.000 -4.415) 7.126 6.513 ( 6.290 0.000 -0.263) 6.295 6.528 ( 2.890 0.000 1.801) 3.405 6.585 ( 2.612 0.000 -0.042) 2.612 6.658 ( 8.678 0.000 1.331) 8.779 6.721 ( 4.244 0.000 5.456) 6.913 6.839 ( 3.479 0.000 -1.895) 3.962 7.072 ( 1.680 0.000 4.759) 5.047 7.097 ( 6.140 0.000 0.263) 6.146 7.197 ( 14.202 0.000 3.028) 14.522 7.379 ( 5.469 0.000 -0.032) 5.469 7.574 ( 10.312 0.000 5.335) 11.610 7.655 ( 2.922 0.000 -2.614) 3.921 7.836 ( 6.001 0.000 -4.551) 7.531 7.883 ( 11.052 0.000 2.616) 11.357 8.045 ( 10.839 0.000 3.183) 11.297 8.087 ( 1.093 0.000 -2.741) 2.951 8.200 ( 4.715 0.000 -4.203) 6.316 8.230 ( 4.741 0.000 -3.802) 6.077 8.319 ( 8.233 0.000 -1.041) 8.299 8.475 ( 8.993 0.000 -0.689) 9.019 8.620 ( 0.452 0.000 -2.833) 2.869 8.667 ( 4.595 0.000 1.820) 4.942 8.888 ( -2.343 0.000 1.070) 2.575 9.061 ( -2.369 0.000 -5.769) 6.237 9.086 ( -0.767 0.000 -0.549) 0.943 9.099 ( 2.387 0.000 2.153) 3.214 9.147 ( -4.187 0.000 -0.892) 4.281 9.259 ( 3.462 0.000 2.007) 4.002 9.265 ( 4.199 0.000 2.311) 4.793 9.348 ( -4.568 0.000 2.059) 5.011 9.410 ( -9.577 0.000 1.839) 9.752 9.527 ( 2.178 0.000 -6.556) 6.908 9.579 ( -10.787 0.000 5.217) 11.982 9.744 ( 8.759 0.000 2.555) 9.124 9.823 ( 2.423 0.000 0.061) 2.424 9.946 ( 4.416 0.000 4.855) 6.563 9.978 ( -4.918 0.000 -0.258) 4.925 10.066 ( 1.094 0.000 -5.623) 5.728 10.143 ( 0.165 0.000 -0.673) 0.693 10.195 ( -4.415 0.000 2.480) 5.064 10.435 ( 0.656 0.000 0.381) 0.759 10.472 ( -7.592 0.000 -3.120) 8.208 10.528 ( -3.490 0.000 -0.025) 3.490 10.543 ( -4.625 0.000 2.208) 5.125 10.861 ( -9.585 0.000 -5.973) 11.294 10.861 ( -1.687 0.000 0.806) 1.870 11.050 ( -8.157 0.000 1.644) 8.321 11.259 ( -2.022 0.000 7.306) 7.581 11.305 ( -3.301 0.000 -0.745) 3.384 11.460 ( -6.009 0.000 -5.257) 7.984 11.762 ( -5.524 0.000 8.640) 10.255 11.981 ( -0.559 0.000 -2.545) 2.606 12.209 ( 2.023 0.000 -1.111) 2.308 12.210 ( 2.770 0.000 -0.667) 2.849 12.384 ( -0.924 0.000 4.625) 4.717 12.549 ( -5.788 0.000 10.703) 12.168 12.827 ( -5.555 0.000 -8.064) 9.792 13.139 ( 0.056 0.000 -12.162) 12.163 13.361 ( -6.960 0.000 2.298) 7.330 13.621 ( -1.576 0.000 0.277) 1.600 13.670 ( -0.671 0.000 0.029) 0.672 13.684 ( -0.951 0.000 -0.498) 1.074 13.812 ( -0.447 0.000 -0.688) 0.820 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 1.201 0.000 -3.832) 4.016 1.388 ( -7.337 0.000 -0.479) 7.353 1.514 ( -7.482 0.000 3.223) 8.147 2.036 ( 13.399 0.000 0.065) 13.399 2.114 ( 17.311 0.000 5.173) 18.067 2.339 ( 1.520 0.000 -10.440) 10.550 2.382 ( 3.998 0.000 6.448) 7.587 2.495 ( -0.854 0.000 -0.021) 0.854 2.520 ( -8.509 0.000 -3.940) 9.377 2.558 ( -9.807 0.000 -4.406) 10.752 2.589 ( 1.408 0.000 5.052) 5.245 2.761 ( 7.748 0.000 -0.574) 7.769 2.762 ( 0.484 0.000 -2.768) 2.810 2.833 ( 1.319 0.000 0.493) 1.408 2.837 ( -8.778 0.000 2.611) 9.158 2.929 ( 2.264 0.000 3.879) 4.491 2.997 ( -7.158 0.000 -3.570) 7.999 3.051 ( 4.977 0.000 0.051) 4.977 3.123 ( 3.861 0.000 -3.264) 5.056 3.270 ( -0.228 0.000 4.996) 5.001 3.297 ( -10.837 0.000 0.157) 10.838 3.357 ( -3.673 0.000 -2.008) 4.186 3.505 ( 0.539 0.000 9.358) 9.373 3.681 ( -11.142 0.000 -5.952) 12.633 3.749 ( -1.259 0.000 -0.233) 1.280 3.917 ( 0.256 0.000 -2.379) 2.392 3.920 ( 1.985 0.000 -1.334) 2.392 4.000 ( 1.886 0.000 3.524) 3.997 4.060 ( 2.084 0.000 1.243) 2.427 4.131 ( -0.069 0.000 1.503) 1.505 4.225 ( -0.420 0.000 2.229) 2.268 4.408 ( 2.790 0.000 1.195) 3.035 4.520 ( 3.253 0.000 -5.053) 6.010 4.563 ( 1.939 0.000 1.862) 2.688 4.611 ( 6.799 0.000 -10.451) 12.468 4.783 ( -6.879 0.000 4.134) 8.025 4.859 ( -0.566 0.000 0.221) 0.607 4.901 ( 0.944 0.000 0.720) 1.187 4.912 ( -1.251 0.000 -1.359) 1.848 5.020 ( 2.929 0.000 0.165) 2.934 5.026 ( 0.665 0.000 -0.838) 1.070 5.108 ( -5.378 0.000 0.690) 5.422 5.201 ( 1.902 0.000 1.475) 2.407 5.319 ( 2.183 0.000 -1.752) 2.799 5.352 ( -1.940 0.000 1.260) 2.313 5.393 ( 1.139 0.000 0.622) 1.298 5.424 ( 0.717 0.000 -0.928) 1.173 5.609 ( 3.315 0.000 1.330) 3.572 5.744 ( 1.190 0.000 -0.266) 1.219 5.786 ( 1.586 0.000 -0.790) 1.772 5.853 ( 1.493 0.000 -2.045) 2.532 5.881 ( -1.047 0.000 -0.062) 1.048 5.988 ( 0.702 0.000 0.147) 0.717 5.992 ( -0.201 0.000 2.941) 2.947 6.123 ( 1.175 0.000 0.936) 1.502 6.130 ( 2.195 0.000 -0.540) 2.260 6.255 ( 1.533 0.000 -1.660) 2.260 6.559 ( 0.510 0.000 0.384) 0.639 6.578 ( 1.183 0.000 -0.004) 1.183 6.610 ( 0.115 0.000 -0.008) 0.116 6.771 ( 0.958 0.000 2.658) 2.825 6.800 ( 4.258 0.000 0.039) 4.258 6.888 ( 1.309 0.000 -1.114) 1.718 7.101 ( 0.852 0.000 2.497) 2.639 7.219 ( 3.923 0.000 0.823) 4.009 7.468 ( 8.856 0.000 -0.063) 8.857 7.477 ( 3.516 0.000 -0.212) 3.522 7.661 ( -1.149 0.000 -0.949) 1.490 7.752 ( 7.170 0.000 7.964) 10.717 7.890 ( -2.178 0.000 -7.396) 7.710 8.052 ( 4.858 0.000 2.604) 5.512 8.121 ( 2.460 0.000 -1.327) 2.795 8.187 ( 2.479 0.000 -0.868) 2.627 8.279 ( 2.652 0.000 -1.328) 2.966 8.411 ( 11.651 0.000 -2.216) 11.860 8.439 ( 2.204 0.000 -1.641) 2.748 8.576 ( -1.018 0.000 -0.339) 1.073 8.681 ( 5.625 0.000 0.330) 5.634 8.733 ( 1.553 0.000 0.238) 1.571 8.817 ( -3.142 0.000 2.882) 4.263 9.006 ( -3.406 0.000 -3.020) 4.552 9.031 ( -3.228 0.000 0.359) 3.248 9.101 ( 1.745 0.000 -3.854) 4.230 9.139 ( 0.836 0.000 0.373) 0.916 9.194 ( -5.590 0.000 2.037) 5.950 9.230 ( -4.749 0.000 3.915) 6.155 9.262 ( -4.986 0.000 -1.914) 5.340 9.354 ( 0.044 0.000 1.260) 1.261 9.446 ( -0.179 0.000 2.096) 2.104 9.710 ( 11.885 0.000 -4.174) 12.597 9.846 ( -0.652 0.000 1.699) 1.820 9.867 ( 1.306 0.000 0.765) 1.514 9.941 ( 3.330 0.000 2.319) 4.058 10.010 ( 1.275 0.000 1.406) 1.898 10.075 ( -7.750 0.000 0.715) 7.783 10.102 ( 2.053 0.000 -0.574) 2.132 10.138 ( -0.511 0.000 -0.628) 0.810 10.338 ( -4.386 0.000 -1.639) 4.682 10.440 ( -0.858 0.000 -0.800) 1.173 10.464 ( -2.477 0.000 0.137) 2.481 10.468 ( -1.642 0.000 1.064) 1.957 10.707 ( -3.499 0.000 -2.935) 4.567 10.836 ( -0.774 0.000 0.301) 0.830 10.908 ( -4.689 0.000 -0.151) 4.691 11.262 ( 1.949 0.000 6.315) 6.609 11.269 ( -0.506 0.000 -0.379) 0.632 11.339 ( -5.160 0.000 -5.417) 7.482 11.673 ( -2.723 0.000 3.291) 4.271 11.973 ( -0.154 0.000 -0.640) 0.659 12.240 ( 0.902 0.000 -1.475) 1.729 12.254 ( 1.235 0.000 -0.564) 1.357 12.371 ( -0.388 0.000 2.582) 2.611 12.456 ( -2.785 0.000 4.178) 5.021 12.751 ( -1.833 0.000 -2.978) 3.497 13.149 ( 1.040 0.000 -5.286) 5.387 13.244 ( -3.951 0.000 2.034) 4.444 13.598 ( -0.595 0.000 0.080) 0.601 13.665 ( -0.013 0.000 -0.031) 0.034 13.669 ( -0.389 0.000 -0.166) 0.423 13.805 ( -0.216 0.000 -0.174) 0.277 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 0.000 26.126 0.000) 26.126 0.572 ( 0.000 27.766 0.000) 27.766 1.012 ( 0.000 47.328 0.000) 47.328 1.560 ( 0.000 -21.353 0.000) 21.353 1.640 ( 0.000 -22.615 0.000) 22.615 2.308 ( 0.000 2.778 0.000) 2.778 2.342 ( 0.000 -1.055 0.000) 1.055 2.476 ( 0.000 14.166 0.000) 14.166 2.495 ( 0.000 15.516 0.000) 15.516 2.628 ( 0.000 5.740 0.000) 5.740 2.689 ( 0.000 -23.175 0.000) 23.175 2.833 ( 0.000 -4.945 0.000) 4.945 2.921 ( 0.000 -3.320 0.000) 3.320 2.924 ( 0.000 3.072 0.000) 3.072 3.043 ( 0.000 -12.100 0.000) 12.100 3.106 ( 0.000 1.401 0.000) 1.401 3.162 ( 0.000 -6.606 0.000) 6.606 3.340 ( 0.000 6.344 0.000) 6.344 3.354 ( 0.000 -12.501 0.000) 12.501 3.433 ( 0.000 2.456 0.000) 2.456 3.452 ( 0.000 6.907 0.000) 6.907 3.593 ( 0.000 -2.383 0.000) 2.383 3.615 ( 0.000 -1.222 0.000) 1.222 3.687 ( 0.000 4.291 0.000) 4.291 3.843 ( 0.000 -7.152 0.000) 7.152 3.883 ( 0.000 4.876 0.000) 4.876 3.948 ( 0.000 1.882 0.000) 1.882 4.124 ( 0.000 3.108 0.000) 3.108 4.131 ( 0.000 1.382 0.000) 1.382 4.200 ( 0.000 -1.504 0.000) 1.504 4.203 ( 0.000 -2.259 0.000) 2.259 4.279 ( 0.000 -3.325 0.000) 3.325 4.280 ( 0.000 0.633 0.000) 0.633 4.329 ( 0.000 -3.239 0.000) 3.239 4.540 ( 0.000 1.874 0.000) 1.874 4.589 ( 0.000 3.173 0.000) 3.173 4.642 ( 0.000 1.072 0.000) 1.072 4.721 ( 0.000 -3.647 0.000) 3.647 4.793 ( 0.000 4.972 0.000) 4.972 4.869 ( 0.000 0.227 0.000) 0.227 4.967 ( 0.000 -4.296 0.000) 4.296 5.016 ( 0.000 -2.819 0.000) 2.819 5.078 ( 0.000 -2.964 0.000) 2.964 5.124 ( 0.000 -1.576 0.000) 1.576 5.294 ( 0.000 -0.112 0.000) 0.112 5.403 ( 0.000 -3.665 0.000) 3.665 5.422 ( 0.000 3.720 0.000) 3.720 5.492 ( 0.000 1.583 0.000) 1.583 5.619 ( 0.000 1.922 0.000) 1.922 5.625 ( 0.000 9.187 0.000) 9.187 5.694 ( 0.000 2.018 0.000) 2.018 5.721 ( 0.000 1.154 0.000) 1.154 5.784 ( 0.000 3.959 0.000) 3.959 5.849 ( 0.000 0.525 0.000) 0.525 5.876 ( 0.000 1.272 0.000) 1.272 5.967 ( 0.000 3.652 0.000) 3.652 6.100 ( 0.000 -3.569 0.000) 3.569 6.252 ( 0.000 -4.326 0.000) 4.326 6.259 ( 0.000 0.034 0.000) 0.034 6.341 ( 0.000 -4.089 0.000) 4.089 6.385 ( 0.000 1.272 0.000) 1.272 6.498 ( 0.000 -5.280 0.000) 5.280 6.744 ( 0.000 5.623 0.000) 5.623 6.870 ( 0.000 2.004 0.000) 2.004 6.980 ( 0.000 -1.247 0.000) 1.247 7.079 ( 0.000 -1.592 0.000) 1.592 7.114 ( 0.000 -0.892 0.000) 0.892 7.130 ( 0.000 -0.071 0.000) 0.071 7.330 ( 0.000 0.379 0.000) 0.379 7.396 ( 0.000 3.509 0.000) 3.509 7.423 ( 0.000 -2.703 0.000) 2.703 7.571 ( 0.000 -1.225 0.000) 1.225 7.799 ( 0.000 -1.456 0.000) 1.456 7.954 ( 0.000 -4.114 0.000) 4.114 8.065 ( 0.000 -2.257 0.000) 2.257 8.086 ( 0.000 -1.989 0.000) 1.989 8.251 ( 0.000 6.265 0.000) 6.265 8.321 ( 0.000 7.975 0.000) 7.975 8.537 ( 0.000 -2.876 0.000) 2.876 8.670 ( 0.000 0.709 0.000) 0.709 8.729 ( 0.000 2.770 0.000) 2.770 8.894 ( 0.000 -8.044 0.000) 8.044 9.147 ( 0.000 -2.680 0.000) 2.680 9.151 ( 0.000 -1.731 0.000) 1.731 9.294 ( 0.000 4.430 0.000) 4.430 9.360 ( 0.000 0.993 0.000) 0.993 9.404 ( 0.000 2.310 0.000) 2.310 9.458 ( 0.000 -3.843 0.000) 3.843 9.569 ( 0.000 2.059 0.000) 2.059 9.623 ( 0.000 -1.197 0.000) 1.197 9.711 ( 0.000 5.233 0.000) 5.233 9.829 ( 0.000 -1.774 0.000) 1.774 9.912 ( 0.000 -1.100 0.000) 1.100 10.047 ( 0.000 -4.112 0.000) 4.112 10.182 ( 0.000 2.543 0.000) 2.543 10.248 ( 0.000 7.515 0.000) 7.515 10.396 ( 0.000 -4.957 0.000) 4.957 10.490 ( 0.000 -3.029 0.000) 3.029 10.520 ( 0.000 3.095 0.000) 3.095 10.636 ( 0.000 -1.101 0.000) 1.101 10.836 ( 0.000 1.882 0.000) 1.882 10.855 ( 0.000 2.628 0.000) 2.628 11.284 ( 0.000 -10.019 0.000) 10.019 11.302 ( 0.000 -6.962 0.000) 6.962 11.557 ( 0.000 1.532 0.000) 1.532 11.612 ( 0.000 1.134 0.000) 1.134 11.633 ( 0.000 3.028 0.000) 3.028 11.709 ( 0.000 -1.450 0.000) 1.450 12.159 ( 0.000 3.524 0.000) 3.524 12.212 ( 0.000 -0.773 0.000) 0.773 12.315 ( 0.000 3.628 0.000) 3.628 12.333 ( 0.000 0.832 0.000) 0.832 12.501 ( 0.000 9.404 0.000) 9.404 13.074 ( 0.000 -10.756 0.000) 10.756 13.580 ( 0.000 0.489 0.000) 0.489 13.608 ( 0.000 -0.560 0.000) 0.560 13.723 ( 0.000 0.707 0.000) 0.707 13.769 ( 0.000 -0.927 0.000) 0.927 13.931 ( 0.000 4.012 0.000) 4.012 14.073 ( 0.000 -1.984 0.000) 1.984 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 15.058 17.278 -1.461) 22.965 0.785 ( 20.108 17.754 0.515) 26.829 1.351 ( 25.574 33.065 -0.668) 41.806 1.572 ( -3.481 -18.944 0.488) 19.268 1.675 ( 8.262 -17.205 0.406) 19.090 2.174 ( -10.579 0.800 5.222) 11.825 2.317 ( -5.864 -3.172 0.930) 6.731 2.486 ( 0.808 13.141 -0.525) 13.176 2.505 ( 1.628 11.815 -0.625) 11.943 2.637 ( 1.908 4.758 -5.213) 7.311 2.701 ( -0.678 -8.573 0.796) 8.636 2.814 ( -2.028 -1.037 -0.359) 2.305 2.866 ( -1.848 0.687 -0.564) 2.051 2.949 ( 0.262 -3.637 -4.855) 6.072 3.023 ( -3.551 -4.109 0.391) 5.445 3.127 ( 3.200 -12.646 3.678) 13.553 3.199 ( -3.426 -6.146 -0.619) 7.063 3.246 ( -3.512 -0.425 -0.323) 3.552 3.290 ( -0.443 -0.820 4.917) 5.004 3.485 ( -0.448 -5.984 -3.605) 7.000 3.518 ( -1.860 2.346 0.474) 3.031 3.519 ( 2.198 4.697 1.633) 5.437 3.644 ( 4.251 -2.648 1.136) 5.135 3.721 ( -0.929 -1.067 0.008) 1.415 3.823 ( -5.605 -0.219 -1.832) 5.901 3.854 ( -1.746 -4.156 1.702) 4.818 3.935 ( -2.244 5.138 -4.064) 6.925 4.051 ( -3.924 -2.406 -0.821) 4.675 4.106 ( -4.360 3.006 -3.346) 6.265 4.165 ( -0.027 -4.493 2.100) 4.959 4.223 ( 2.605 -0.626 -2.559) 3.705 4.265 ( -0.543 1.287 0.620) 1.528 4.317 ( 2.899 -3.167 0.300) 4.304 4.378 ( 3.939 -3.301 0.035) 5.139 4.598 ( 4.287 2.317 -0.669) 4.919 4.616 ( 3.815 3.465 0.483) 5.176 4.730 ( 2.813 -0.355 -0.287) 2.849 4.778 ( 2.351 -2.857 0.208) 3.706 4.840 ( -0.629 1.538 -0.998) 1.938 4.845 ( 6.257 1.518 2.955) 7.085 4.988 ( 1.475 -0.915 1.639) 2.388 5.042 ( 2.505 -4.122 -3.217) 5.798 5.069 ( 1.466 1.760 -2.883) 3.682 5.212 ( 4.110 -3.518 -0.951) 5.492 5.317 ( 1.920 0.155 -0.175) 1.934 5.380 ( -2.658 0.245 3.220) 4.183 5.432 ( -2.230 2.870 0.093) 3.636 5.476 ( 0.388 4.274 1.387) 4.510 5.628 ( 1.223 1.176 -0.234) 1.713 5.664 ( 2.693 2.573 -0.933) 3.840 5.691 ( 3.121 2.518 -0.462) 4.037 5.764 ( 6.096 0.599 -0.522) 6.147 5.843 ( 3.171 1.908 -0.915) 3.813 5.880 ( 2.883 1.309 -1.377) 3.453 5.924 ( 2.203 2.032 0.250) 3.008 5.970 ( 1.235 3.220 1.055) 3.607 6.078 ( -2.129 -3.346 -0.305) 3.978 6.228 ( 4.087 1.801 -0.441) 4.488 6.243 ( 1.224 0.872 -1.194) 1.919 6.352 ( 1.780 -3.740 4.523) 6.133 6.447 ( 5.115 0.079 -1.007) 5.213 6.499 ( 2.026 -1.416 -1.144) 2.724 6.709 ( 0.901 4.722 0.441) 4.827 6.937 ( 2.151 -1.306 5.310) 5.876 6.958 ( -3.239 -1.682 -2.502) 4.425 7.124 ( 5.841 -2.459 1.875) 6.609 7.187 ( 2.529 0.476 7.558) 7.984 7.202 ( 7.946 1.312 0.309) 8.059 7.338 ( 3.337 3.528 0.334) 4.867 7.426 ( 3.873 -1.439 -0.347) 4.146 7.542 ( 9.680 1.773 0.069) 9.841 7.673 ( 8.188 -2.764 0.641) 8.666 7.916 ( 4.431 0.014 -0.945) 4.531 8.006 ( 4.784 -4.644 -3.984) 7.767 8.069 ( 1.141 -1.095 0.854) 1.797 8.120 ( 3.251 -1.617 0.747) 3.707 8.324 ( 0.208 9.062 -1.264) 9.152 8.444 ( 8.794 -2.564 1.327) 9.256 8.577 ( 4.521 -2.445 -0.231) 5.145 8.701 ( 4.172 -7.605 -2.041) 8.911 8.795 ( 4.657 0.167 -0.187) 4.664 8.948 ( 4.433 -7.293 -5.200) 9.994 9.134 ( -1.199 -1.111 -2.282) 2.807 9.167 ( 1.590 -3.785 3.416) 5.341 9.286 ( -0.858 5.354 -1.165) 5.546 9.385 ( -0.126 0.788 2.866) 2.975 9.394 ( 0.725 1.137 0.564) 1.461 9.454 ( -0.434 -3.761 0.622) 3.836 9.566 ( -0.950 0.311 0.702) 1.222 9.617 ( 0.038 -0.070 1.657) 1.659 9.736 ( 2.324 4.505 0.789) 5.130 9.837 ( 0.004 -0.312 -1.072) 1.116 9.890 ( -1.201 -3.120 3.148) 4.592 10.026 ( -2.650 -3.371 -1.688) 4.608 10.145 ( -3.053 1.622 0.122) 3.459 10.223 ( -2.234 6.769 -4.121) 8.234 10.374 ( -2.192 -3.065 -0.096) 3.770 10.484 ( -0.580 -0.677 -2.836) 2.973 10.522 ( -0.294 -1.700 3.111) 3.557 10.625 ( -1.143 -1.866 -0.124) 2.192 10.785 ( -3.836 3.442 1.692) 5.425 10.868 ( -0.039 -0.276 1.552) 1.577 11.225 ( -3.588 -5.508 5.108) 8.325 11.301 ( -2.101 -8.160 1.492) 8.557 11.414 ( -10.152 7.421 -3.184) 12.972 11.538 ( -2.638 0.940 -1.708) 3.281 11.623 ( -3.850 2.284 -1.311) 4.665 11.793 ( 4.034 -5.755 1.454) 7.177 12.118 ( -5.963 4.852 15.592) 17.384 12.151 ( -2.086 1.310 3.968) 4.670 12.245 ( 0.025 6.322 -5.231) 8.205 12.416 ( 0.393 -1.764 -0.225) 1.821 12.580 ( 5.513 1.881 -2.708) 6.424 13.020 ( -4.982 -9.598 -1.404) 10.905 13.495 ( -10.402 7.382 -10.130) 16.289 13.561 ( -2.678 -0.150 2.747) 3.839 13.711 ( -1.301 0.945 0.799) 1.796 13.754 ( -1.817 -0.404 1.446) 2.357 13.825 ( -8.624 7.659 -4.617) 12.424 13.885 ( -4.427 2.404 -1.473) 5.248 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 22.026 2.908 -0.385) 22.221 1.244 ( 23.284 9.970 0.972) 25.348 1.459 ( -5.940 -5.512 0.545) 8.121 1.773 ( 5.444 -4.744 0.657) 7.251 1.936 ( 10.321 10.974 -1.932) 15.188 1.967 ( -0.698 -1.891 1.799) 2.702 2.116 ( -6.885 -7.603 2.583) 10.577 2.502 ( 0.473 7.750 -1.427) 7.895 2.591 ( 5.532 10.194 -2.115) 11.790 2.659 ( -2.631 4.353 0.232) 5.092 2.682 ( 2.078 1.559 -3.990) 4.761 2.748 ( -3.534 3.946 -2.750) 5.969 2.845 ( -0.995 -1.543 0.977) 2.079 2.854 ( -8.487 1.764 5.415) 10.221 2.960 ( -1.026 3.890 -2.457) 4.714 3.106 ( -4.415 -2.905 -0.310) 5.294 3.176 ( 0.193 -8.982 -2.639) 9.364 3.222 ( -0.478 -7.565 1.616) 7.750 3.301 ( -2.559 -4.127 5.480) 7.322 3.414 ( -2.700 -0.328 -0.564) 2.777 3.502 ( -7.251 4.339 3.966) 9.334 3.559 ( 0.960 2.881 -3.590) 4.702 3.634 ( -6.330 -0.805 -0.618) 6.411 3.648 ( 1.684 -9.502 0.953) 9.697 3.757 ( 0.522 -7.532 -4.841) 8.969 3.837 ( 0.030 -0.734 4.316) 4.378 3.855 ( -1.706 -1.094 -5.219) 5.599 4.004 ( -2.505 -3.866 0.237) 4.613 4.047 ( -1.119 0.262 2.824) 3.049 4.117 ( -5.128 -2.788 2.083) 6.197 4.273 ( 2.408 0.790 1.168) 2.790 4.296 ( 1.975 -0.668 2.467) 3.230 4.343 ( -0.937 -2.671 1.570) 3.237 4.447 ( 2.873 -1.157 -2.056) 3.717 4.605 ( -2.812 3.365 -4.726) 6.447 4.746 ( 4.846 2.103 -2.479) 5.836 4.765 ( 3.379 0.001 -0.498) 3.415 4.814 ( 4.664 0.579 -0.988) 4.802 4.918 ( 4.455 -1.008 -3.773) 5.924 4.972 ( 3.857 -0.646 1.877) 4.338 5.014 ( 3.030 2.729 0.945) 4.186 5.068 ( 0.999 -1.658 -0.683) 2.053 5.145 ( 4.994 4.002 -3.059) 7.093 5.243 ( -1.892 1.829 1.262) 2.918 5.308 ( -0.549 0.921 -2.625) 2.836 5.373 ( 3.027 -0.473 0.686) 3.139 5.455 ( 2.816 -1.102 3.466) 4.599 5.475 ( -1.400 -0.201 0.554) 1.519 5.650 ( 2.113 2.083 -2.078) 3.622 5.713 ( 0.474 3.486 0.398) 3.541 5.787 ( 5.742 1.367 -0.798) 5.956 5.872 ( 1.945 1.501 0.500) 2.507 5.913 ( 4.005 -1.932 2.304) 5.008 5.938 ( 2.483 -0.291 -3.026) 3.926 5.998 ( 0.485 2.007 -0.336) 2.092 6.008 ( 6.150 -1.132 -2.067) 6.586 6.073 ( 4.670 2.882 0.276) 5.495 6.355 ( 8.334 0.125 0.067) 8.335 6.408 ( 7.157 -2.300 3.148) 8.150 6.434 ( 9.856 -0.321 2.179) 10.099 6.543 ( 3.664 0.783 0.903) 3.854 6.593 ( 6.651 -0.626 0.247) 6.685 6.759 ( 3.511 1.508 1.816) 4.231 6.927 ( 0.103 -4.744 -1.484) 4.972 6.998 ( 5.583 2.317 2.900) 6.704 7.187 ( 1.402 0.741 8.476) 8.623 7.256 ( 4.954 2.257 1.078) 5.549 7.395 ( 10.143 2.411 -0.845) 10.460 7.467 ( 6.355 -2.570 -0.165) 6.857 7.575 ( 11.741 -2.017 -1.199) 11.973 7.772 ( 12.050 1.686 1.038) 12.211 7.858 ( 8.329 1.085 0.258) 8.404 7.981 ( 2.700 -1.509 1.201) 3.318 8.090 ( 4.111 -1.776 -4.430) 6.300 8.120 ( 3.542 -2.126 -1.334) 4.341 8.225 ( 5.205 -1.986 0.824) 5.631 8.351 ( 3.860 8.197 -1.012) 9.116 8.586 ( 7.006 1.195 0.244) 7.111 8.620 ( 0.865 1.397 -5.484) 5.725 8.831 ( 4.007 -8.920 0.846) 9.815 8.905 ( 7.430 -0.339 0.047) 7.438 9.036 ( 5.126 -4.362 -3.514) 7.593 9.115 ( -0.532 0.830 -3.679) 3.809 9.192 ( 0.510 -1.384 2.821) 3.183 9.252 ( -2.450 3.307 -2.245) 4.688 9.322 ( -4.667 0.170 4.426) 6.434 9.422 ( -1.325 -2.174 8.321) 8.702 9.453 ( 1.333 0.096 -5.725) 5.879 9.515 ( -3.599 -1.961 -3.037) 5.101 9.647 ( 2.110 2.292 5.351) 6.192 9.797 ( -0.403 2.704 -3.462) 4.411 9.799 ( 1.034 2.484 5.521) 6.142 9.889 ( -1.487 -3.049 4.016) 5.256 9.952 ( -1.312 -4.826 -3.821) 6.294 10.069 ( -4.616 -0.142 0.328) 4.629 10.177 ( -1.825 3.527 -2.092) 4.488 10.313 ( -3.498 -0.022 -0.294) 3.511 10.471 ( -0.441 1.115 -1.867) 2.219 10.498 ( -2.200 -3.714 -0.538) 4.350 10.589 ( -2.336 -1.570 0.154) 2.819 10.687 ( -5.752 3.802 1.266) 7.010 10.850 ( -1.639 -2.502 0.937) 3.134 11.159 ( -3.335 -1.923 4.932) 6.256 11.175 ( -9.348 5.553 -3.543) 11.436 11.268 ( -4.492 -4.767 4.628) 8.019 11.448 ( -6.215 1.314 -1.543) 6.537 11.515 ( -6.243 0.384 -3.206) 7.028 11.818 ( -2.298 -7.359 4.922) 9.147 12.030 ( -2.529 5.001 1.744) 5.869 12.107 ( -1.812 -0.969 4.876) 5.292 12.258 ( 0.880 4.441 -2.974) 5.416 12.402 ( -1.289 -0.757 3.037) 3.385 12.649 ( 1.103 1.314 4.838) 5.133 12.894 ( -6.536 -6.514 -4.104) 10.100 13.294 ( -7.389 8.725 -11.966) 16.550 13.473 ( -6.104 -1.853 1.241) 6.499 13.674 ( -1.994 1.276 0.798) 2.498 13.705 ( -2.465 0.132 0.766) 2.585 13.741 ( -2.032 3.029 -1.673) 4.013 13.822 ( -1.584 -0.293 -1.931) 2.514 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -4.652 5.303 -1.956) 7.321 1.551 ( 17.334 -2.307 2.147) 17.618 1.595 ( -5.715 -3.046 -0.176) 6.478 1.686 ( -0.357 -4.103 0.421) 4.140 1.794 ( 8.570 4.322 2.944) 10.039 2.201 ( 12.070 -4.374 -1.520) 12.927 2.295 ( 7.548 1.345 -4.233) 8.758 2.483 ( -1.902 2.279 -1.470) 3.312 2.560 ( -5.098 2.242 1.200) 5.697 2.666 ( -1.110 -0.109 -4.473) 4.610 2.670 ( 0.399 5.218 5.121) 7.322 2.759 ( 1.829 8.264 -3.595) 9.196 2.791 ( 3.635 3.172 3.754) 6.113 2.852 ( -10.169 -3.180 -0.457) 10.664 2.875 ( 0.409 0.217 1.087) 1.181 2.982 ( -3.587 -0.536 -0.065) 3.627 3.088 ( -9.337 0.285 1.269) 9.427 3.191 ( -1.053 4.397 -5.726) 7.296 3.266 ( -0.038 2.671 -1.834) 3.240 3.301 ( -9.331 1.894 4.348) 10.467 3.387 ( -1.351 1.748 -0.178) 2.216 3.466 ( -4.688 -2.144 -1.157) 5.283 3.569 ( -4.691 -1.685 4.004) 6.394 3.708 ( -1.513 -8.714 -2.224) 9.120 3.816 ( 3.103 -6.754 2.185) 7.748 3.843 ( 4.219 -2.115 5.276) 7.079 3.855 ( 1.967 -6.393 -3.251) 7.437 3.906 ( -4.791 -2.215 1.413) 5.464 4.033 ( -2.258 3.282 2.208) 4.555 4.135 ( 6.626 -5.924 3.969) 9.734 4.187 ( -6.290 1.178 -1.833) 6.656 4.343 ( 1.064 0.537 0.677) 1.370 4.385 ( 5.480 -1.673 4.651) 7.380 4.504 ( 2.584 3.548 -4.427) 6.234 4.583 ( 0.198 -1.026 -7.232) 7.307 4.745 ( -1.085 -5.932 -4.217) 7.359 4.796 ( -1.792 0.112 -4.560) 4.901 4.932 ( 2.905 1.798 3.364) 4.794 4.967 ( -3.536 1.383 -2.604) 4.604 5.017 ( 5.845 2.811 -0.925) 6.552 5.066 ( 2.529 2.842 0.871) 3.902 5.127 ( 2.418 -3.226 2.669) 4.835 5.237 ( 2.895 -0.264 -1.450) 3.249 5.246 ( 2.260 6.118 -0.335) 6.531 5.302 ( -2.505 -2.775 -3.495) 5.118 5.409 ( 0.587 1.893 1.774) 2.660 5.434 ( 2.089 -1.743 -0.521) 2.770 5.515 ( 1.801 -0.319 2.625) 3.199 5.715 ( 1.691 1.783 0.564) 2.521 5.736 ( 4.158 2.114 -1.313) 4.845 5.845 ( 0.864 1.478 -0.758) 1.872 5.927 ( -1.476 -2.736 1.910) 3.649 5.932 ( 2.746 0.410 1.315) 3.072 5.989 ( 3.003 1.739 1.601) 3.822 6.027 ( 2.410 -1.754 -1.364) 3.278 6.107 ( 3.267 0.363 -2.090) 3.895 6.219 ( 6.595 4.887 -1.535) 8.350 6.487 ( 3.776 -3.932 2.566) 6.025 6.548 ( 6.806 2.784 0.005) 7.354 6.608 ( 2.768 1.707 0.706) 3.328 6.638 ( 7.258 -1.710 -0.344) 7.464 6.708 ( 3.960 -1.409 2.668) 4.979 6.841 ( 4.231 0.693 1.324) 4.487 6.963 ( 3.226 -5.025 2.644) 6.530 7.202 ( 13.218 2.097 -1.786) 13.502 7.249 ( 5.337 6.113 7.467) 11.027 7.375 ( 6.406 -0.075 0.644) 6.439 7.570 ( 4.254 -3.650 2.242) 6.037 7.601 ( 9.095 1.259 -1.573) 9.316 7.826 ( 10.370 -3.003 -3.118) 11.237 7.962 ( 3.648 6.384 -1.396) 7.484 8.009 ( 8.793 -2.437 2.534) 9.470 8.037 ( 3.228 -3.246 0.035) 4.578 8.181 ( 4.654 -1.329 -3.409) 5.920 8.218 ( 5.721 -1.249 -3.371) 6.757 8.328 ( 7.521 -1.722 2.860) 8.229 8.474 ( 6.466 2.401 0.396) 6.909 8.637 ( 1.199 1.179 -4.163) 4.490 8.728 ( 5.618 4.396 -1.448) 7.279 8.867 ( 0.570 -2.242 -2.161) 3.166 8.996 ( 0.697 -3.258 -0.227) 3.339 9.100 ( -1.038 2.464 -2.374) 3.576 9.120 ( -1.689 -0.112 1.283) 2.124 9.170 ( -5.355 1.396 -2.377) 6.023 9.222 ( -0.454 -3.678 1.204) 3.897 9.291 ( 7.315 -0.882 3.482) 8.149 9.358 ( -4.589 -0.031 5.760) 7.365 9.428 ( -2.713 2.455 -2.673) 4.531 9.469 ( -1.042 -0.067 -2.448) 2.661 9.616 ( -5.122 2.506 1.245) 5.836 9.758 ( 0.222 1.439 0.907) 1.715 9.876 ( 4.287 2.556 0.365) 5.005 9.895 ( 3.234 -3.901 5.698) 7.625 9.948 ( -4.607 -1.958 -0.336) 5.017 10.012 ( 3.151 -3.914 -0.340) 5.036 10.142 ( -2.063 -0.440 1.593) 2.644 10.248 ( -2.519 3.142 -1.518) 4.304 10.438 ( -3.419 -3.418 -2.554) 5.468 10.471 ( 0.358 2.112 -0.531) 2.207 10.533 ( -3.688 3.351 -0.117) 4.984 10.565 ( -5.050 1.792 -0.088) 5.360 10.804 ( -3.112 -3.480 -1.562) 4.923 10.974 ( -8.701 8.303 -3.702) 12.584 11.092 ( -4.803 1.094 3.805) 6.224 11.194 ( -2.392 -4.981 6.288) 8.371 11.314 ( -5.522 -0.970 -0.578) 5.636 11.381 ( -6.518 -2.299 -4.055) 8.013 11.719 ( -6.406 -6.595 5.291) 10.607 11.999 ( -0.880 2.224 -2.597) 3.530 12.093 ( -0.065 -3.420 2.824) 4.435 12.272 ( 0.557 1.623 -1.934) 2.585 12.372 ( -1.613 -1.582 3.646) 4.289 12.637 ( -1.973 5.694 7.769) 9.832 12.787 ( -3.373 -2.946 -5.520) 7.108 13.190 ( -2.917 4.005 -9.170) 10.423 13.335 ( -6.681 -2.332 0.603) 7.102 13.637 ( -1.549 1.279 0.296) 2.030 13.668 ( -1.155 -0.097 -0.001) 1.159 13.714 ( -0.872 2.446 -0.640) 2.675 13.802 ( -0.658 -1.085 -0.775) 1.487 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -1.009 2.931 -2.432) 3.940 1.384 ( -8.653 -1.444 0.862) 8.815 1.578 ( -0.516 6.636 1.045) 6.737 1.970 ( 17.459 -8.067 -0.223) 19.234 2.159 ( 14.541 4.233 5.946) 16.270 2.242 ( -5.081 -0.798 -0.590) 5.177 2.380 ( -1.920 -1.085 -5.161) 5.612 2.455 ( -3.864 -2.288 -2.881) 5.335 2.511 ( -8.519 -2.900 -2.842) 9.437 2.534 ( 4.023 -3.809 2.403) 6.039 2.668 ( 0.357 -2.843 -0.069) 2.866 2.715 ( 1.795 5.964 2.770) 6.816 2.821 ( -2.232 1.230 -3.780) 4.559 2.849 ( -1.712 1.678 -1.362) 2.757 2.890 ( -2.020 2.166 5.637) 6.368 2.951 ( 5.309 0.590 3.136) 6.194 2.969 ( -2.641 1.357 -3.863) 4.872 3.081 ( -3.666 3.583 0.625) 5.164 3.177 ( 0.658 2.726 -3.663) 4.614 3.248 ( -5.867 5.993 -2.015) 8.626 3.328 ( -8.873 1.212 5.632) 10.579 3.416 ( 0.917 0.012 -3.880) 3.987 3.528 ( 5.517 1.992 4.939) 7.668 3.658 ( -2.183 -3.497 1.501) 4.387 3.810 ( -5.362 4.448 -0.304) 6.974 3.847 ( 1.840 -6.869 0.973) 7.178 3.894 ( 1.406 -4.402 -0.181) 4.624 3.925 ( -3.966 1.668 -2.089) 4.783 4.029 ( 6.922 -4.544 1.505) 8.416 4.164 ( 1.856 3.175 1.414) 3.940 4.184 ( -2.386 -3.720 2.435) 5.046 4.422 ( 4.828 -0.650 -0.465) 4.893 4.489 ( 3.853 -5.062 2.870) 6.979 4.535 ( 0.514 1.938 -5.265) 5.634 4.611 ( 3.439 -1.212 -5.751) 6.810 4.709 ( -3.345 -5.541 0.597) 6.500 4.755 ( -0.324 -4.163 -2.863) 5.063 4.841 ( -5.899 -0.578 1.099) 6.028 4.983 ( 1.148 4.645 0.213) 4.789 5.034 ( -4.899 -3.683 1.778) 6.382 5.115 ( 2.057 1.652 -0.092) 2.640 5.142 ( 2.108 3.789 -0.293) 4.346 5.268 ( 1.493 1.015 -1.077) 2.103 5.286 ( 0.548 2.966 0.187) 3.022 5.287 ( 0.049 -1.674 -0.040) 1.676 5.417 ( 0.176 2.803 1.177) 3.045 5.488 ( 1.494 0.715 -1.584) 2.291 5.557 ( 1.856 -2.990 1.229) 3.728 5.736 ( 0.619 1.465 0.129) 1.596 5.812 ( 1.983 1.120 -0.347) 2.304 5.861 ( 0.969 0.480 -0.877) 1.392 5.900 ( -1.025 -0.971 1.140) 1.815 5.971 ( 0.875 0.313 0.476) 1.044 6.035 ( 1.688 1.883 2.046) 3.253 6.061 ( 0.331 -2.445 -0.958) 2.647 6.144 ( 0.779 -0.652 -1.343) 1.684 6.305 ( 1.920 5.289 -0.448) 5.645 6.527 ( 0.606 -2.586 0.774) 2.767 6.627 ( 1.314 3.641 0.050) 3.871 6.652 ( 1.416 2.378 0.568) 2.825 6.737 ( 2.485 -4.243 -1.866) 5.259 6.756 ( 0.997 -1.247 1.911) 2.490 6.916 ( 2.445 1.527 0.617) 2.948 7.018 ( 1.435 -5.050 2.034) 5.630 7.338 ( 3.185 8.535 0.980) 9.162 7.471 ( 8.508 0.645 1.303) 8.631 7.495 ( 4.539 0.968 -0.690) 4.692 7.620 ( 0.479 -3.349 1.207) 3.592 7.744 ( 4.922 -0.684 3.000) 5.805 7.898 ( -2.258 -2.365 -6.732) 7.484 8.025 ( 1.963 -0.012 0.433) 2.010 8.111 ( 4.034 -0.206 2.038) 4.524 8.140 ( 3.107 -2.213 -0.572) 3.857 8.229 ( 1.033 -4.819 -1.741) 5.227 8.417 ( 11.721 0.924 -0.458) 11.767 8.487 ( 4.905 1.697 0.533) 5.217 8.616 ( 5.142 2.041 0.202) 5.536 8.624 ( -0.215 -0.304 -1.046) 1.110 8.778 ( -0.894 2.054 -0.342) 2.266 8.843 ( -4.629 1.933 -1.345) 5.193 8.965 ( -0.997 -4.003 -0.400) 4.145 8.997 ( -5.085 -3.507 1.250) 6.303 9.101 ( -0.482 -0.112 -0.519) 0.717 9.132 ( 1.541 2.035 -4.512) 5.184 9.176 ( -2.847 -1.621 1.164) 3.477 9.251 ( -5.691 -0.616 3.048) 6.485 9.336 ( -0.119 5.790 -0.843) 5.852 9.414 ( -1.992 7.115 1.747) 7.592 9.471 ( 0.981 1.365 2.460) 2.979 9.651 ( 7.357 -4.781 -4.138) 9.701 9.781 ( 1.444 -4.213 0.140) 4.455 9.864 ( -2.331 0.350 1.389) 2.736 9.915 ( 0.197 -4.989 2.020) 5.386 9.981 ( 1.553 4.338 2.479) 5.233 10.063 ( 0.107 -6.133 -0.330) 6.142 10.113 ( 0.979 0.044 1.676) 1.941 10.223 ( -0.060 5.656 -1.123) 5.767 10.370 ( -2.525 -3.997 -1.373) 4.923 10.418 ( -4.043 8.577 -0.526) 9.497 10.482 ( -0.400 3.083 -1.145) 3.313 10.536 ( 0.526 1.584 0.739) 1.825 10.714 ( -4.087 0.168 -2.738) 4.922 10.883 ( 0.153 4.485 -1.313) 4.676 10.963 ( -6.438 4.081 2.040) 7.891 11.189 ( 1.573 -5.512 5.274) 7.790 11.251 ( -2.525 -7.233 -3.110) 8.268 11.268 ( -2.819 0.731 -1.025) 3.087 11.605 ( -3.781 -7.625 1.858) 8.711 11.990 ( -0.105 1.498 -1.037) 1.825 12.090 ( -0.218 -5.774 0.855) 5.841 12.279 ( 0.151 0.013 -0.571) 0.591 12.347 ( -0.739 -2.344 1.431) 2.844 12.602 ( -1.062 8.538 2.664) 9.007 12.747 ( -0.787 -0.315 -1.616) 1.825 13.161 ( -0.063 1.065 -4.115) 4.251 13.228 ( -3.392 -1.472 0.856) 3.795 13.615 ( -0.570 1.366 0.055) 1.481 13.654 ( -0.308 -0.422 -0.086) 0.529 13.703 ( -0.249 2.323 -0.139) 2.340 13.792 ( -0.261 -1.283 -0.186) 1.322 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 -24.581 0.000) 24.581 1.059 ( 0.000 24.581 0.000) 24.581 1.126 ( 0.000 -26.282 0.000) 26.282 1.126 ( 0.000 26.282 0.000) 26.282 1.961 ( 0.000 -40.326 0.000) 40.326 1.961 ( 0.000 40.326 0.000) 40.326 2.359 ( 0.000 -2.517 0.000) 2.517 2.359 ( 0.000 2.517 0.000) 2.517 2.675 ( 0.000 -8.600 0.000) 8.600 2.675 ( 0.000 8.600 0.000) 8.600 2.806 ( 0.000 -11.696 0.000) 11.696 2.806 ( 0.000 11.696 0.000) 11.696 2.821 ( 0.000 -10.282 0.000) 10.282 2.821 ( 0.000 10.282 0.000) 10.282 3.024 ( 0.000 -6.496 0.000) 6.496 3.024 ( 0.000 6.496 0.000) 6.496 3.132 ( 0.000 -4.584 0.000) 4.584 3.132 ( 0.000 4.584 0.000) 4.584 3.500 ( 0.000 -5.594 0.000) 5.594 3.500 ( 0.000 5.594 0.000) 5.594 3.522 ( 0.000 -6.967 0.000) 6.967 3.522 ( 0.000 6.967 0.000) 6.967 3.638 ( 0.000 -8.578 0.000) 8.578 3.638 ( 0.000 8.578 0.000) 8.578 3.844 ( 0.000 -6.213 0.000) 6.213 3.844 ( 0.000 6.213 0.000) 6.213 4.096 ( 0.000 -7.971 0.000) 7.971 4.096 ( 0.000 7.971 0.000) 7.971 4.140 ( 0.000 -1.349 0.000) 1.349 4.140 ( 0.000 1.349 0.000) 1.349 4.229 ( 0.000 -4.389 0.000) 4.389 4.229 ( 0.000 4.389 0.000) 4.389 4.272 ( 0.000 -1.222 0.000) 1.222 4.272 ( 0.000 1.222 0.000) 1.222 4.590 ( 0.000 -2.467 0.000) 2.467 4.590 ( 0.000 2.467 0.000) 2.467 4.659 ( 0.000 -1.801 0.000) 1.801 4.659 ( 0.000 1.801 0.000) 1.801 4.890 ( 0.000 -2.084 0.000) 2.084 4.890 ( 0.000 2.084 0.000) 2.084 4.928 ( 0.000 -6.021 0.000) 6.021 4.928 ( 0.000 6.021 0.000) 6.021 5.085 ( 0.000 -1.810 0.000) 1.810 5.085 ( 0.000 1.810 0.000) 1.810 5.330 ( 0.000 -3.157 0.000) 3.157 5.330 ( 0.000 3.157 0.000) 3.157 5.484 ( 0.000 -2.301 0.000) 2.301 5.484 ( 0.000 2.301 0.000) 2.301 5.662 ( 0.000 -1.879 0.000) 1.879 5.662 ( 0.000 1.879 0.000) 1.879 5.731 ( 0.000 -0.725 0.000) 0.725 5.731 ( 0.000 0.725 0.000) 0.725 5.846 ( 0.000 -0.856 0.000) 0.856 5.846 ( 0.000 0.856 0.000) 0.856 6.027 ( 0.000 -4.499 0.000) 4.499 6.027 ( 0.000 4.499 0.000) 4.499 6.064 ( 0.000 -11.529 0.000) 11.529 6.064 ( 0.000 11.529 0.000) 11.529 6.275 ( 0.000 -1.839 0.000) 1.839 6.275 ( 0.000 1.839 0.000) 1.839 6.424 ( 0.000 -2.502 0.000) 2.502 6.424 ( 0.000 2.502 0.000) 2.502 6.849 ( 0.000 -4.088 0.000) 4.088 6.849 ( 0.000 4.088 0.000) 4.088 7.012 ( 0.000 -3.905 0.000) 3.905 7.012 ( 0.000 3.905 0.000) 3.905 7.118 ( 0.000 -0.783 0.000) 0.783 7.118 ( 0.000 0.783 0.000) 0.783 7.363 ( 0.000 -2.712 0.000) 2.712 7.363 ( 0.000 2.712 0.000) 2.712 7.487 ( 0.000 -5.192 0.000) 5.192 7.487 ( 0.000 5.192 0.000) 5.192 7.853 ( 0.000 -5.077 0.000) 5.077 7.853 ( 0.000 5.077 0.000) 5.077 8.052 ( 0.000 -0.856 0.000) 0.856 8.052 ( 0.000 0.856 0.000) 0.856 8.364 ( 0.000 -3.995 0.000) 3.995 8.364 ( 0.000 3.995 0.000) 3.995 8.601 ( 0.000 -7.864 0.000) 7.864 8.601 ( 0.000 7.864 0.000) 7.864 8.772 ( 0.000 -2.268 0.000) 2.268 8.772 ( 0.000 2.268 0.000) 2.268 9.129 ( 0.000 -0.361 0.000) 0.361 9.129 ( 0.000 0.361 0.000) 0.361 9.360 ( 0.000 -1.319 0.000) 1.319 9.360 ( 0.000 1.319 0.000) 1.319 9.418 ( 0.000 -0.085 0.000) 0.085 9.418 ( 0.000 0.085 0.000) 0.085 9.599 ( 0.000 -0.970 0.000) 0.970 9.599 ( 0.000 0.970 0.000) 0.970 9.793 ( 0.000 -2.502 0.000) 2.502 9.793 ( 0.000 2.502 0.000) 2.502 9.948 ( 0.000 -4.402 0.000) 4.402 9.948 ( 0.000 4.402 0.000) 4.402 10.268 ( 0.000 -5.528 0.000) 5.528 10.268 ( 0.000 5.528 0.000) 5.528 10.400 ( 0.000 -5.695 0.000) 5.695 10.400 ( 0.000 5.695 0.000) 5.695 10.592 ( 0.000 -3.215 0.000) 3.215 10.592 ( 0.000 3.215 0.000) 3.215 10.880 ( 0.000 -1.254 0.000) 1.254 10.880 ( 0.000 1.254 0.000) 1.254 11.188 ( 0.000 -1.872 0.000) 1.872 11.188 ( 0.000 1.872 0.000) 1.872 11.598 ( 0.000 -1.928 0.000) 1.928 11.598 ( 0.000 1.928 0.000) 1.928 11.679 ( 0.000 -1.639 0.000) 1.639 11.679 ( 0.000 1.639 0.000) 1.639 12.195 ( 0.000 -0.939 0.000) 0.939 12.195 ( 0.000 0.939 0.000) 0.939 12.345 ( 0.000 -0.029 0.000) 0.029 12.345 ( 0.000 0.029 0.000) 0.029 12.791 ( 0.000 -15.866 0.000) 15.866 12.791 ( 0.000 15.866 0.000) 15.866 13.594 ( 0.000 -0.755 0.000) 0.755 13.594 ( 0.000 0.755 0.000) 0.755 13.745 ( 0.000 -1.305 0.000) 1.305 13.745 ( 0.000 1.305 0.000) 1.305 14.014 ( 0.000 -3.686 0.000) 3.686 14.014 ( 0.000 3.686 0.000) 3.686 ======================= Grid point 20 (12/84) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 3.186 -22.145 -1.259) 22.409 1.134 ( 3.186 22.145 -1.259) 22.409 1.202 ( 12.012 -21.146 0.431) 24.323 1.202 ( 12.012 21.146 0.431) 24.323 2.135 ( 14.158 -32.663 -0.970) 35.613 2.135 ( 14.158 32.663 -0.970) 35.613 2.237 ( -10.811 -4.358 4.602) 12.532 2.237 ( -10.811 4.358 4.602) 12.532 2.706 ( 2.111 -8.588 -2.098) 9.089 2.706 ( 2.111 8.588 -2.098) 9.089 2.776 ( 0.131 -6.969 -1.176) 7.069 2.776 ( 0.131 6.969 -1.176) 7.069 2.877 ( 1.501 -6.768 1.896) 7.187 2.877 ( 1.501 6.768 1.896) 7.187 2.986 ( -3.774 -7.117 -3.734) 8.879 2.986 ( -3.774 7.117 -3.734) 8.879 3.103 ( -0.520 -4.089 -0.643) 4.172 3.103 ( -0.520 4.089 -0.643) 4.172 3.392 ( -6.263 -4.812 3.763) 8.749 3.392 ( -6.263 4.812 3.763) 8.749 3.572 ( 3.751 -3.748 2.438) 5.836 3.572 ( 3.751 3.748 2.438) 5.836 3.700 ( 0.529 -9.798 -1.016) 9.865 3.700 ( 0.529 9.798 -1.016) 9.865 3.768 ( -5.569 -4.061 0.996) 6.964 3.768 ( -5.569 4.061 0.996) 6.964 4.032 ( -7.730 -2.761 -1.834) 8.411 4.032 ( -7.730 2.761 -1.834) 8.411 4.105 ( 0.012 -2.650 -6.736) 7.238 4.105 ( 0.012 2.650 -6.736) 7.238 4.244 ( 2.759 -2.858 -0.254) 3.981 4.244 ( 2.759 2.858 -0.254) 3.981 4.308 ( 1.708 -2.412 4.200) 5.136 4.308 ( 1.708 2.412 4.200) 5.136 4.646 ( 4.838 -2.427 0.565) 5.442 4.646 ( 4.838 2.427 0.565) 5.442 4.723 ( 3.087 -2.891 1.830) 4.608 4.723 ( 3.087 2.891 1.830) 4.608 4.879 ( 0.364 -0.756 -0.478) 0.966 4.879 ( 0.364 0.756 -0.478) 0.966 4.973 ( 4.945 -1.128 -1.652) 5.334 4.973 ( 4.945 1.128 -1.652) 5.334 5.141 ( 3.405 -4.262 -3.226) 6.338 5.141 ( 3.405 4.262 -3.226) 6.338 5.341 ( 0.951 -2.563 1.903) 3.331 5.341 ( 0.951 2.563 1.903) 3.331 5.499 ( -0.254 -2.176 1.145) 2.472 5.499 ( -0.254 2.176 1.145) 2.472 5.656 ( 1.316 -2.721 0.055) 3.023 5.656 ( 1.316 2.721 0.055) 3.023 5.750 ( 2.355 -2.404 -1.517) 3.692 5.750 ( 2.355 2.404 -1.517) 3.692 5.883 ( 2.648 -1.506 0.083) 3.047 5.883 ( 2.648 1.506 0.083) 3.047 6.005 ( -2.036 -3.652 0.274) 4.190 6.005 ( -2.036 3.652 0.274) 4.190 6.112 ( 4.814 -10.139 -0.508) 11.235 6.112 ( 4.814 10.139 -0.508) 11.235 6.286 ( 2.742 -2.216 -0.464) 3.556 6.286 ( 2.742 2.216 -0.464) 3.556 6.464 ( 3.907 -1.405 1.536) 4.427 6.464 ( 3.907 1.405 1.536) 4.427 6.829 ( -1.071 -6.169 -1.215) 6.378 6.829 ( -1.071 6.169 -1.215) 6.378 7.031 ( 1.565 -5.229 3.482) 6.474 7.031 ( 1.565 5.229 3.482) 6.474 7.204 ( 7.257 -1.172 1.345) 7.473 7.204 ( 7.257 1.172 1.345) 7.473 7.395 ( 3.622 -1.878 -0.119) 4.082 7.395 ( 3.622 1.878 -0.119) 4.082 7.607 ( 9.343 -3.801 2.092) 10.301 7.607 ( 9.343 3.801 2.092) 10.301 7.927 ( 5.673 -2.275 -4.077) 7.347 7.927 ( 5.673 2.275 -4.077) 7.347 8.077 ( 2.590 -1.712 1.173) 3.319 8.077 ( 2.590 1.712 1.173) 3.319 8.436 ( 6.377 -0.420 -0.015) 6.391 8.436 ( 6.377 0.420 -0.015) 6.391 8.589 ( 0.096 -5.872 0.619) 5.905 8.589 ( 0.096 5.872 0.619) 5.905 8.826 ( 4.387 -2.818 -4.678) 7.005 8.826 ( 4.387 2.818 -4.678) 7.005 9.131 ( 0.430 -0.721 1.342) 1.583 9.131 ( 0.430 0.721 1.342) 1.583 9.376 ( -0.543 -2.830 -5.411) 6.131 9.376 ( -0.543 2.830 -5.411) 6.131 9.406 ( 0.466 -1.308 7.313) 7.443 9.406 ( 0.466 1.308 7.313) 7.443 9.586 ( -1.021 -2.056 -1.234) 2.606 9.586 ( -1.021 2.056 -1.234) 2.606 9.806 ( 1.093 -2.245 3.201) 4.059 9.806 ( 1.093 2.245 3.201) 4.059 9.931 ( -1.636 -5.104 -1.235) 5.500 9.931 ( -1.636 5.104 -1.235) 5.500 10.223 ( -4.073 -5.414 0.665) 6.808 10.223 ( -4.073 5.414 0.665) 6.808 10.398 ( -0.345 -5.589 -2.446) 6.110 10.398 ( -0.345 5.589 -2.446) 6.110 10.575 ( -1.474 -3.213 0.036) 3.536 10.575 ( -1.474 3.213 0.036) 3.536 10.852 ( -2.560 -2.079 0.732) 3.378 10.852 ( -2.560 2.079 0.732) 3.378 11.171 ( -1.559 -2.234 3.481) 4.420 11.171 ( -1.559 2.234 3.481) 4.420 11.521 ( -6.319 -2.876 -2.999) 7.563 11.521 ( -6.319 2.876 -2.999) 7.563 11.691 ( -0.141 -4.348 -0.312) 4.362 11.691 ( -0.141 4.348 -0.312) 4.362 12.156 ( -3.223 -0.475 6.642) 7.398 12.156 ( -3.223 0.475 6.642) 7.398 12.359 ( 0.675 -3.679 -2.371) 4.429 12.359 ( 0.675 3.679 -2.371) 4.429 12.773 ( -1.538 -13.251 -0.475) 13.348 12.773 ( -1.538 13.251 -0.475) 13.348 13.552 ( -4.356 -0.899 -1.171) 4.599 13.552 ( -4.356 0.899 -1.171) 4.599 13.735 ( -1.136 -1.254 0.993) 1.961 13.735 ( -1.136 1.254 0.993) 1.961 13.909 ( -7.571 -0.915 -2.852) 8.142 13.909 ( -7.571 0.915 -2.852) 8.142 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 9.095 -10.732 -1.807) 14.184 1.258 ( 9.095 10.732 -1.807) 14.184 1.516 ( 16.567 -14.359 1.723) 21.992 1.516 ( 16.567 14.359 1.723) 21.992 1.956 ( -14.437 -4.868 3.731) 15.686 1.956 ( -14.437 4.868 3.731) 15.686 2.393 ( 7.468 -17.543 -5.160) 19.752 2.393 ( 7.468 17.543 -5.160) 19.752 2.714 ( -1.931 -5.441 1.753) 6.033 2.714 ( -1.931 5.441 1.753) 6.033 2.827 ( 3.226 -4.760 -0.391) 5.764 2.827 ( 3.226 4.760 -0.391) 5.764 2.873 ( -0.547 -8.476 1.560) 8.636 2.873 ( -0.547 8.476 1.560) 8.636 2.978 ( 5.081 -9.081 -5.607) 11.820 2.978 ( 5.081 9.081 -5.607) 11.820 3.030 ( -7.225 -2.241 2.286) 7.903 3.030 ( -7.225 2.241 2.286) 7.903 3.362 ( 2.574 -6.050 2.471) 7.024 3.362 ( 2.574 6.050 2.471) 7.024 3.543 ( -7.145 -2.953 2.869) 8.247 3.543 ( -7.145 2.953 2.869) 8.247 3.613 ( -5.073 -1.731 -2.321) 5.841 3.613 ( -5.073 1.731 -2.321) 5.841 3.734 ( -0.103 -6.056 0.302) 6.065 3.734 ( -0.103 6.056 0.302) 6.065 3.904 ( -3.772 -3.807 -1.697) 5.622 3.904 ( -3.772 3.807 -1.697) 5.622 4.073 ( -3.071 -1.804 -0.095) 3.562 4.073 ( -3.071 1.804 -0.095) 3.562 4.285 ( 1.289 -1.157 1.610) 2.365 4.285 ( 1.289 1.157 1.610) 2.365 4.366 ( 3.611 -4.729 1.849) 6.230 4.366 ( 3.611 4.729 1.849) 6.230 4.680 ( -2.244 -4.353 -2.991) 5.739 4.680 ( -2.244 4.353 -2.991) 5.739 4.829 ( 8.159 -0.295 0.605) 8.187 4.829 ( 8.159 0.295 0.605) 8.187 4.934 ( 3.105 -4.171 -1.397) 5.384 4.934 ( 3.105 4.171 -1.397) 5.384 5.041 ( 1.620 -1.888 -1.344) 2.827 5.041 ( 1.620 1.888 -1.344) 2.827 5.211 ( 3.548 -2.497 -2.662) 5.090 5.211 ( 3.548 2.497 -2.662) 5.090 5.389 ( 3.285 -2.457 3.083) 5.132 5.389 ( 3.285 2.457 3.083) 5.132 5.433 ( -4.046 -2.773 -1.933) 5.272 5.433 ( -4.046 2.773 -1.933) 5.272 5.708 ( 2.394 -3.055 -0.578) 3.924 5.708 ( 2.394 3.055 -0.578) 3.924 5.845 ( 4.463 -3.892 1.022) 6.009 5.845 ( 4.463 3.892 1.022) 6.009 5.938 ( 1.821 -2.994 0.215) 3.511 5.938 ( 1.821 2.994 0.215) 3.511 5.976 ( 1.857 -1.240 -2.047) 3.029 5.976 ( 1.857 1.240 -2.047) 3.029 6.234 ( 6.492 -9.195 1.007) 11.301 6.234 ( 6.492 9.195 1.007) 11.301 6.419 ( 9.570 -1.256 0.491) 9.665 6.419 ( 9.570 1.256 0.491) 9.665 6.567 ( 5.452 -1.530 2.375) 6.141 6.567 ( 5.452 1.530 2.375) 6.141 6.828 ( 1.137 -4.622 0.398) 4.776 6.828 ( 1.137 4.622 0.398) 4.776 7.087 ( 4.805 -6.052 3.092) 8.323 7.087 ( 4.805 6.052 3.092) 8.323 7.353 ( 6.293 -4.527 1.303) 7.861 7.353 ( 6.293 4.527 1.303) 7.861 7.524 ( 8.982 -4.151 -1.112) 9.957 7.524 ( 8.982 4.151 -1.112) 9.957 7.810 ( 9.874 -3.370 3.539) 11.017 7.810 ( 9.874 3.370 3.539) 11.017 8.026 ( 4.420 -3.733 -5.109) 7.719 8.026 ( 4.420 3.733 -5.109) 7.719 8.147 ( 3.648 -3.900 1.790) 5.632 8.147 ( 3.648 3.900 1.790) 5.632 8.527 ( 2.258 -7.567 -3.057) 8.467 8.527 ( 2.258 7.567 -3.057) 8.467 8.688 ( 8.487 -5.196 0.370) 9.958 8.688 ( 8.487 5.196 0.370) 9.958 8.923 ( 5.317 -3.237 -3.642) 7.212 8.923 ( 5.317 3.237 -3.642) 7.212 9.157 ( 2.219 -2.270 1.275) 3.420 9.157 ( 2.219 2.270 1.275) 3.420 9.301 ( -5.603 -1.498 -0.555) 5.826 9.301 ( -5.603 1.498 -0.555) 5.826 9.430 ( -0.656 -2.308 1.207) 2.686 9.430 ( -0.656 2.308 1.207) 2.686 9.584 ( 1.536 -6.809 1.037) 7.057 9.584 ( 1.536 6.809 1.037) 7.057 9.829 ( 0.496 -1.055 4.909) 5.045 9.829 ( 0.496 1.055 4.909) 5.045 9.885 ( -2.262 -4.109 -3.219) 5.689 9.885 ( -2.262 4.109 -3.219) 5.689 10.128 ( -4.600 -5.706 2.050) 7.611 10.128 ( -4.600 5.706 2.050) 7.611 10.378 ( -1.536 -5.601 -3.116) 6.591 10.378 ( -1.536 5.601 -3.116) 6.591 10.543 ( -1.339 -2.951 -0.178) 3.245 10.543 ( -1.339 2.951 -0.178) 3.245 10.783 ( -4.089 -4.490 -0.028) 6.073 10.783 ( -4.089 4.490 -0.028) 6.073 11.133 ( -2.066 -2.085 4.838) 5.658 11.133 ( -2.066 2.085 4.838) 5.658 11.362 ( -9.021 -6.637 -3.661) 11.783 11.362 ( -9.021 6.637 -3.661) 11.783 11.647 ( -4.392 -8.533 0.475) 9.609 11.647 ( -4.392 8.533 0.475) 9.609 12.093 ( -2.722 -1.187 4.900) 5.730 12.093 ( -2.722 1.187 4.900) 5.730 12.352 ( -1.295 -4.100 -0.854) 4.384 12.352 ( -1.295 4.100 -0.854) 4.384 12.742 ( -1.184 -7.201 0.159) 7.299 12.742 ( -1.184 7.201 0.159) 7.299 13.418 ( -7.855 -3.825 -3.134) 9.281 13.418 ( -7.855 3.825 -3.134) 9.281 13.698 ( -2.188 -0.888 0.927) 2.536 13.698 ( -2.188 0.888 0.927) 2.536 13.800 ( -2.809 -2.112 -2.373) 4.241 13.800 ( -2.809 2.112 -2.373) 4.241 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 4.937 -6.989 -2.497) 8.913 1.457 ( 4.937 6.989 -2.497) 8.913 1.588 ( -4.660 -3.484 3.465) 6.772 1.588 ( -4.660 3.484 3.465) 6.772 1.974 ( 16.583 -11.645 2.029) 20.365 1.974 ( 16.583 11.645 2.029) 20.365 2.435 ( -1.607 -6.353 -6.238) 9.047 2.435 ( -1.607 6.353 -6.238) 9.047 2.632 ( -7.062 -3.520 0.114) 7.892 2.632 ( -7.062 3.520 0.114) 7.892 2.773 ( -5.578 -0.937 -1.793) 5.934 2.773 ( -5.578 0.937 -1.793) 5.934 2.840 ( -3.076 -3.943 5.448) 7.395 2.840 ( -3.076 3.943 5.448) 7.395 2.977 ( 2.369 -9.360 0.634) 9.676 2.977 ( 2.369 9.360 0.634) 9.676 3.114 ( 2.040 -9.135 -2.459) 9.677 3.114 ( 2.040 9.135 -2.459) 9.677 3.336 ( -3.202 -4.473 -3.147) 6.337 3.336 ( -3.202 4.473 -3.147) 6.337 3.433 ( -5.006 -2.752 2.675) 6.308 3.433 ( -5.006 2.752 2.675) 6.308 3.586 ( 4.278 -10.126 -0.526) 11.005 3.586 ( 4.278 10.126 -0.526) 11.005 3.699 ( -2.767 -5.794 2.890) 7.041 3.699 ( -2.767 5.794 2.890) 7.041 3.862 ( -0.579 -1.254 -0.102) 1.385 3.862 ( -0.579 1.254 -0.102) 1.385 4.067 ( 3.744 -1.102 3.404) 5.179 4.067 ( 3.744 1.102 3.404) 5.179 4.280 ( -2.421 -5.507 2.814) 6.641 4.280 ( -2.421 5.507 2.814) 6.641 4.441 ( 3.784 -6.046 -1.503) 7.289 4.441 ( 3.784 6.046 -1.503) 7.289 4.630 ( -1.499 -5.201 -4.672) 7.150 4.630 ( -1.499 5.201 -4.672) 7.150 4.888 ( -4.296 -5.171 -6.025) 9.027 4.888 ( -4.296 5.171 -6.025) 9.027 5.001 ( 4.723 -2.482 2.126) 5.744 5.001 ( 4.723 2.482 2.126) 5.744 5.101 ( 3.104 -0.913 1.359) 3.509 5.101 ( 3.104 0.913 1.359) 3.509 5.246 ( -0.346 -1.642 -0.638) 1.795 5.246 ( -0.346 1.642 -0.638) 1.795 5.379 ( 1.147 -3.815 -3.094) 5.044 5.379 ( 1.147 3.815 -3.094) 5.044 5.470 ( 2.720 -3.272 2.107) 4.748 5.470 ( 2.720 3.272 2.107) 4.748 5.760 ( 2.639 -1.163 -0.422) 2.915 5.760 ( 2.639 1.163 -0.422) 2.915 5.866 ( -0.353 -2.053 2.546) 3.290 5.866 ( -0.353 2.053 2.546) 3.290 5.962 ( 1.331 -2.934 0.162) 3.226 5.962 ( 1.331 2.934 0.162) 3.226 6.069 ( 4.028 -3.429 -2.626) 5.906 6.069 ( 4.028 3.429 -2.626) 5.906 6.363 ( 5.543 -7.621 1.596) 9.558 6.363 ( 5.543 7.621 1.596) 9.558 6.598 ( 6.401 -2.050 -0.856) 6.775 6.598 ( 6.401 2.050 -0.856) 6.775 6.662 ( 3.632 -3.079 1.667) 5.044 6.662 ( 3.632 3.079 1.667) 5.044 6.879 ( 3.580 -3.081 2.914) 5.550 6.879 ( 3.580 3.081 2.914) 5.550 7.256 ( 11.452 -3.167 1.396) 11.963 7.256 ( 11.452 3.167 1.396) 11.963 7.460 ( 4.343 -6.235 2.630) 8.041 7.460 ( 4.343 6.235 2.630) 8.041 7.708 ( 7.386 -7.173 -3.481) 10.868 7.708 ( 7.386 7.173 -3.481) 10.868 7.988 ( 7.480 -0.924 2.748) 8.022 7.988 ( 7.480 0.924 2.748) 8.022 8.103 ( 1.984 -5.987 -4.057) 7.499 8.103 ( 1.984 5.987 -4.057) 7.499 8.247 ( 7.915 -3.883 2.658) 9.207 8.247 ( 7.915 3.883 2.658) 9.207 8.586 ( 3.670 -6.010 -1.870) 7.286 8.586 ( 3.670 6.010 -1.870) 7.286 8.810 ( 3.179 -3.857 -4.767) 6.907 8.810 ( 3.179 3.857 -4.767) 6.907 9.023 ( 1.381 -5.973 1.893) 6.416 9.023 ( 1.381 5.973 1.893) 6.416 9.168 ( -4.626 -2.809 -1.694) 5.671 9.168 ( -4.626 2.809 -1.694) 5.671 9.225 ( 2.289 -3.766 0.784) 4.476 9.225 ( 2.289 3.766 0.784) 4.476 9.384 ( -1.720 -2.161 0.244) 2.772 9.384 ( -1.720 2.161 0.244) 2.772 9.608 ( -1.000 -5.607 1.027) 5.787 9.608 ( -1.000 5.607 1.027) 5.787 9.791 ( -1.918 -2.520 2.418) 3.985 9.791 ( -1.918 2.520 2.418) 3.985 9.906 ( 2.945 -1.537 -0.289) 3.335 9.906 ( 2.945 1.537 -0.289) 3.335 10.060 ( -1.716 -6.080 3.210) 7.087 10.060 ( -1.716 6.080 3.210) 7.087 10.338 ( -2.178 -5.049 -2.346) 5.978 10.338 ( -2.178 5.049 -2.346) 5.978 10.528 ( -0.173 -2.078 -0.715) 2.205 10.528 ( -0.173 2.078 -0.715) 2.205 10.695 ( -4.193 -7.401 -1.884) 8.713 10.695 ( -4.193 7.401 -1.884) 8.713 11.101 ( -1.088 -1.701 5.016) 5.407 11.101 ( -1.088 1.701 5.016) 5.407 11.168 ( -9.348 -8.691 -2.726) 13.052 11.168 ( -9.348 8.691 -2.726) 13.052 11.523 ( -7.148 -10.598 0.535) 12.795 11.523 ( -7.148 10.598 0.535) 12.795 12.050 ( -1.669 -2.016 1.846) 3.203 12.050 ( -1.669 2.016 1.846) 3.203 12.318 ( -1.639 -3.047 -0.142) 3.463 12.318 ( -1.639 3.047 -0.142) 3.463 12.727 ( -0.453 -3.255 1.393) 3.569 12.727 ( -0.453 3.255 1.393) 3.569 13.272 ( -5.831 -3.729 -3.594) 7.799 13.272 ( -5.831 3.729 -3.594) 7.799 13.660 ( -1.427 -0.790 0.155) 1.638 13.660 ( -1.427 0.790 0.155) 1.638 13.767 ( -0.972 -2.353 -0.861) 2.687 13.767 ( -0.972 2.353 -0.861) 2.687 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -5.771 -3.712 0.049) 6.862 1.326 ( -5.771 3.712 0.049) 6.862 1.762 ( 9.782 -10.504 -0.230) 14.355 1.762 ( 9.782 10.504 -0.230) 14.355 2.266 ( 5.681 -3.981 5.513) 8.861 2.266 ( 5.681 3.981 5.513) 8.861 2.352 ( -3.898 -3.929 -3.964) 6.808 2.352 ( -3.898 3.929 -3.964) 6.808 2.491 ( -0.784 -0.467 -3.603) 3.717 2.491 ( -0.784 0.467 -3.603) 3.717 2.694 ( -3.697 -4.120 0.739) 5.585 2.694 ( -3.697 4.120 0.739) 5.585 2.830 ( 0.931 -1.841 2.257) 3.057 2.830 ( 0.931 1.841 2.257) 3.057 2.963 ( -3.127 -1.869 -1.508) 3.943 2.963 ( -3.127 1.869 -1.508) 3.943 3.060 ( -2.644 -4.774 -0.296) 5.465 3.060 ( -2.644 4.774 -0.296) 5.465 3.297 ( -1.550 -6.994 -1.185) 7.261 3.297 ( -1.550 6.994 -1.185) 7.261 3.389 ( 0.094 -4.819 -0.580) 4.855 3.389 ( 0.094 4.819 -0.580) 4.855 3.556 ( -3.279 -13.549 3.005) 14.261 3.556 ( -3.279 13.549 3.005) 14.261 3.781 ( 4.911 -7.918 -1.840) 9.497 3.781 ( 4.911 7.918 -1.840) 9.497 3.904 ( 6.010 -5.020 4.063) 8.822 3.904 ( 6.010 5.020 4.063) 8.822 4.073 ( -6.968 -7.319 0.091) 10.106 4.073 ( -6.968 7.319 0.091) 10.106 4.280 ( 3.947 -8.300 0.913) 9.236 4.280 ( 3.947 8.300 0.913) 9.236 4.509 ( 2.488 -3.845 -1.811) 4.925 4.509 ( 2.488 3.845 -1.811) 4.925 4.627 ( 0.748 -3.089 -0.148) 3.182 4.627 ( 0.748 3.089 -0.148) 3.182 4.770 ( -5.358 -4.477 -4.372) 8.238 4.770 ( -5.358 4.477 -4.372) 8.238 5.047 ( -0.425 -2.275 1.284) 2.647 5.047 ( -0.425 2.275 1.284) 2.647 5.113 ( -0.074 -1.971 0.404) 2.014 5.113 ( -0.074 1.971 0.404) 2.014 5.263 ( 1.371 -1.394 0.695) 2.075 5.263 ( 1.371 1.394 0.695) 2.075 5.421 ( 1.596 -4.404 -1.830) 5.029 5.421 ( 1.596 4.404 -1.830) 5.029 5.503 ( 0.682 -2.603 0.693) 2.779 5.503 ( 0.682 2.603 0.693) 2.779 5.799 ( 0.996 -3.001 0.240) 3.171 5.799 ( 0.996 3.001 0.240) 3.171 5.869 ( 0.385 -1.065 0.620) 1.291 5.869 ( 0.385 1.065 0.620) 1.291 5.984 ( 0.730 -1.828 0.483) 2.027 5.984 ( 0.730 1.828 0.483) 2.027 6.115 ( 0.839 -2.537 -1.129) 2.901 6.115 ( 0.839 2.537 -1.129) 2.901 6.434 ( 1.453 -6.339 0.802) 6.553 6.434 ( 1.453 6.339 0.802) 6.553 6.677 ( 1.962 -0.952 -1.068) 2.428 6.677 ( 1.962 0.952 -1.068) 2.428 6.712 ( 1.141 -3.418 0.762) 3.683 6.712 ( 1.141 3.418 0.762) 3.683 6.944 ( 2.021 -1.884 1.666) 3.227 6.944 ( 2.021 1.884 1.666) 3.227 7.481 ( 7.981 -1.772 -2.322) 8.498 7.481 ( 7.981 1.772 -2.322) 8.498 7.526 ( 1.844 -5.307 5.433) 7.816 7.526 ( 1.844 5.307 5.433) 7.816 7.780 ( 0.227 -5.215 -3.519) 6.295 7.780 ( 0.227 5.215 -3.519) 6.295 8.107 ( 1.571 -4.152 2.486) 5.088 8.107 ( 1.571 4.152 2.486) 5.088 8.119 ( 2.356 -1.733 -2.389) 3.777 8.119 ( 2.356 1.733 -2.389) 3.777 8.454 ( 9.922 -2.743 1.542) 10.409 8.454 ( 9.922 2.743 1.542) 10.409 8.652 ( 1.723 -0.602 -1.437) 2.323 8.652 ( 1.723 0.602 -1.437) 2.323 8.833 ( -1.106 -4.033 -3.237) 5.289 8.833 ( -1.106 4.033 -3.237) 5.289 8.920 ( -5.710 -2.251 2.344) 6.570 8.920 ( -5.710 2.251 2.344) 6.570 9.130 ( -1.776 -2.130 -0.888) 2.912 9.130 ( -1.776 2.130 -0.888) 2.912 9.206 ( -1.782 -3.607 -0.513) 4.056 9.206 ( -1.782 3.607 -0.513) 4.056 9.445 ( 5.000 -4.375 1.743) 6.869 9.445 ( 5.000 4.375 1.743) 6.869 9.557 ( -2.641 -4.674 -1.377) 5.543 9.557 ( -2.641 4.674 -1.377) 5.543 9.783 ( 0.134 -4.982 1.881) 5.327 9.783 ( 0.134 4.982 1.881) 5.327 9.932 ( -0.198 -5.538 0.233) 5.547 9.932 ( -0.198 5.538 0.233) 5.547 10.077 ( 2.064 -3.657 1.740) 4.546 10.077 ( 2.064 3.657 1.740) 4.546 10.296 ( -1.508 -3.022 -1.001) 3.522 10.296 ( -1.508 3.022 -1.001) 3.522 10.528 ( -0.044 -1.728 -0.377) 1.769 10.528 ( -0.044 1.728 -0.377) 1.769 10.636 ( -1.135 -8.657 -2.018) 8.961 10.636 ( -1.135 8.657 -2.018) 8.961 10.999 ( -5.128 -3.584 0.353) 6.267 10.999 ( -5.128 3.584 0.353) 6.267 11.109 ( 0.603 -2.204 1.653) 2.820 11.109 ( 0.603 2.204 1.653) 2.820 11.395 ( -4.252 -10.587 -0.228) 11.412 11.395 ( -4.252 10.587 -0.228) 11.412 12.026 ( -0.685 -1.893 0.382) 2.049 12.026 ( -0.685 1.893 0.382) 2.049 12.295 ( -0.563 -1.955 -0.026) 2.035 12.295 ( -0.563 1.955 -0.026) 2.035 12.721 ( -0.145 -3.044 0.930) 3.186 12.721 ( -0.145 3.044 0.930) 3.186 13.191 ( -2.006 -1.847 -1.627) 3.175 13.191 ( -2.006 1.847 -1.627) 3.175 13.641 ( -0.464 -0.984 -0.030) 1.088 13.641 ( -0.464 0.984 -0.030) 1.088 13.754 ( -0.311 -2.399 -0.187) 2.427 13.754 ( -0.311 2.399 -0.187) 2.427 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 1.153 0.000 25.134) 25.161 0.555 ( 1.059 0.000 27.561) 27.581 0.798 ( -4.124 0.000 36.446) 36.679 1.955 ( -0.307 0.000 7.191) 7.198 1.981 ( 5.712 0.000 1.850) 6.004 2.121 ( 0.853 0.000 -8.628) 8.671 2.236 ( -0.368 0.000 2.235) 2.266 2.267 ( -1.736 0.000 -2.451) 3.004 2.372 ( 0.656 0.000 1.180) 1.350 2.482 ( -3.559 0.000 -6.762) 7.642 2.650 ( -0.294 0.000 -18.248) 18.250 2.748 ( -4.024 0.000 -10.724) 11.455 2.928 ( 5.417 0.000 0.235) 5.422 3.005 ( 1.820 0.000 -6.555) 6.803 3.008 ( -9.789 0.000 -1.613) 9.921 3.186 ( 7.042 0.000 -7.194) 10.067 3.260 ( -3.637 0.000 0.114) 3.639 3.318 ( 0.005 0.000 -4.497) 4.497 3.339 ( -7.522 0.000 -11.177) 13.472 3.352 ( 9.885 0.000 6.352) 11.750 3.434 ( 1.402 0.000 5.590) 5.763 3.704 ( -7.050 0.000 0.775) 7.092 3.706 ( 4.628 0.000 5.151) 6.924 3.714 ( -5.200 0.000 7.650) 9.251 3.824 ( -0.594 0.000 -6.085) 6.114 3.894 ( -0.959 0.000 -4.815) 4.909 3.939 ( 1.445 0.000 6.116) 6.285 4.015 ( -5.093 0.000 -4.560) 6.836 4.035 ( 3.239 0.000 -0.795) 3.335 4.162 ( -7.888 0.000 6.264) 10.072 4.266 ( 1.118 0.000 2.981) 3.184 4.300 ( -3.927 0.000 0.566) 3.967 4.353 ( -0.393 0.000 1.235) 1.296 4.477 ( 4.368 0.000 7.408) 8.600 4.483 ( -0.725 0.000 -1.089) 1.309 4.604 ( 0.301 0.000 4.433) 4.443 4.609 ( -0.954 0.000 3.608) 3.732 4.729 ( 3.749 0.000 -1.007) 3.882 4.801 ( -5.673 0.000 -2.664) 6.268 4.882 ( 4.729 0.000 1.029) 4.840 4.999 ( -0.281 0.000 -1.973) 1.992 5.102 ( 7.633 0.000 0.379) 7.642 5.207 ( -2.820 0.000 4.095) 4.972 5.233 ( -1.396 0.000 -4.133) 4.362 5.243 ( 0.783 0.000 -1.037) 1.300 5.310 ( 0.236 0.000 1.352) 1.373 5.375 ( 0.147 0.000 2.483) 2.487 5.403 ( 0.262 0.000 -3.224) 3.235 5.455 ( 1.391 0.000 -2.528) 2.885 5.597 ( -0.035 0.000 -0.113) 0.118 5.656 ( -0.001 0.000 1.995) 1.995 5.762 ( -0.732 0.000 -0.751) 1.049 5.765 ( -1.662 0.000 1.084) 1.984 5.862 ( -0.351 0.000 0.792) 0.867 5.887 ( -1.443 0.000 0.575) 1.554 5.944 ( 0.460 0.000 -0.343) 0.574 6.039 ( 2.287 0.000 0.215) 2.297 6.117 ( 1.241 0.000 -4.081) 4.265 6.197 ( -1.670 0.000 -5.655) 5.896 6.223 ( 2.291 0.000 -6.493) 6.885 6.480 ( -1.014 0.000 0.462) 1.115 6.578 ( 1.846 0.000 11.097) 11.249 6.689 ( -1.675 0.000 4.244) 4.562 6.888 ( 1.457 0.000 -1.690) 2.232 7.012 ( -0.464 0.000 0.887) 1.001 7.079 ( 0.179 0.000 0.161) 0.241 7.165 ( 0.711 0.000 2.344) 2.449 7.226 ( -1.874 0.000 -0.878) 2.070 7.249 ( 16.478 0.000 -3.806) 16.912 7.363 ( 1.039 0.000 0.966) 1.419 7.494 ( -6.535 0.000 3.233) 7.291 7.633 ( 2.703 0.000 -3.489) 4.414 7.773 ( -3.324 0.000 -6.188) 7.024 7.942 ( 0.989 0.000 -4.948) 5.046 8.030 ( 2.949 0.000 3.811) 4.818 8.177 ( 1.393 0.000 5.521) 5.694 8.182 ( -1.548 0.000 -0.366) 1.591 8.401 ( -0.870 0.000 10.061) 10.099 8.509 ( -0.576 0.000 3.610) 3.656 8.637 ( 2.341 0.000 -2.927) 3.748 8.817 ( -6.518 0.000 -8.898) 11.030 8.942 ( -0.324 0.000 -3.504) 3.519 9.019 ( -0.018 0.000 -4.094) 4.094 9.181 ( -1.068 0.000 -5.751) 5.850 9.245 ( 0.307 0.000 -1.141) 1.182 9.256 ( 1.844 0.000 0.758) 1.994 9.463 ( 0.182 0.000 0.408) 0.447 9.478 ( 0.225 0.000 2.452) 2.462 9.609 ( 2.019 0.000 5.708) 6.055 9.653 ( 0.177 0.000 3.325) 3.330 9.702 ( -1.224 0.000 10.065) 10.139 9.832 ( 1.233 0.000 -1.014) 1.596 10.026 ( -0.349 0.000 2.885) 2.906 10.164 ( -0.069 0.000 0.361) 0.367 10.177 ( -0.534 0.000 3.903) 3.939 10.365 ( -7.731 0.000 5.377) 9.417 10.388 ( 0.405 0.000 0.147) 0.431 10.459 ( -0.911 0.000 -2.158) 2.342 10.669 ( 0.750 0.000 2.561) 2.668 10.711 ( 3.279 0.000 -5.859) 6.714 10.786 ( 2.417 0.000 -3.327) 4.112 11.027 ( 0.545 0.000 -14.513) 14.524 11.049 ( -1.056 0.000 -1.728) 2.025 11.363 ( 2.338 0.000 -8.316) 8.638 11.447 ( 3.271 0.000 -3.867) 5.064 11.536 ( -0.738 0.000 -1.126) 1.347 11.571 ( -2.739 0.000 0.773) 2.846 11.676 ( 23.827 0.000 -0.908) 23.844 11.921 ( -5.267 0.000 5.163) 7.376 12.087 ( 2.216 0.000 0.982) 2.424 12.364 ( 0.526 0.000 10.503) 10.517 12.420 ( 1.341 0.000 -0.797) 1.560 12.650 ( 3.408 0.000 -5.732) 6.669 13.283 ( -12.974 0.000 -3.862) 13.536 13.340 ( -1.914 0.000 10.802) 10.970 13.720 ( 0.557 0.000 1.219) 1.340 13.759 ( -0.799 0.000 2.957) 3.064 13.768 ( 0.504 0.000 -1.101) 1.211 13.829 ( -3.371 0.000 -0.458) 3.402 14.076 ( -5.618 0.000 -2.394) 6.106 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 13.034 0.000 10.910) 16.997 0.776 ( 20.316 0.000 17.110) 26.561 1.239 ( 27.844 0.000 22.653) 35.895 1.920 ( -12.046 0.000 7.214) 14.041 2.002 ( 4.987 0.000 5.758) 7.618 2.142 ( 2.977 0.000 -10.781) 11.185 2.238 ( -0.360 0.000 3.407) 3.426 2.298 ( 3.849 0.000 -6.310) 7.391 2.358 ( -4.317 0.000 2.795) 5.143 2.434 ( 0.284 0.000 -3.307) 3.319 2.589 ( -4.411 0.000 -16.534) 17.112 2.712 ( 1.047 0.000 -8.858) 8.920 2.861 ( -8.899 0.000 1.348) 9.000 2.886 ( -3.320 0.000 -6.071) 6.920 3.101 ( -2.029 0.000 1.282) 2.400 3.171 ( 2.728 0.000 -8.795) 9.208 3.205 ( -5.167 0.000 -5.205) 7.334 3.267 ( 1.083 0.000 -7.417) 7.495 3.359 ( 1.524 0.000 -6.406) 6.584 3.434 ( 1.071 0.000 4.573) 4.697 3.514 ( 5.137 0.000 4.097) 6.570 3.572 ( -5.836 0.000 4.120) 7.144 3.728 ( -0.438 0.000 -0.890) 0.992 3.738 ( -2.988 0.000 1.587) 3.383 3.837 ( 1.688 0.000 0.408) 1.737 3.891 ( 2.220 0.000 3.214) 3.906 3.942 ( -7.431 0.000 3.555) 8.238 3.943 ( -1.343 0.000 -8.559) 8.664 4.082 ( 5.976 0.000 6.136) 8.565 4.146 ( 6.449 0.000 -4.167) 7.678 4.255 ( 0.310 0.000 1.157) 1.197 4.299 ( 4.422 0.000 5.080) 6.735 4.369 ( -2.674 0.000 2.626) 3.748 4.481 ( -0.621 0.000 -4.788) 4.828 4.558 ( 2.790 0.000 5.149) 5.856 4.620 ( 2.274 0.000 6.173) 6.579 4.625 ( 2.014 0.000 1.732) 2.656 4.763 ( 2.921 0.000 -2.548) 3.876 4.818 ( 4.665 0.000 -2.260) 5.184 4.974 ( -1.916 0.000 3.928) 4.370 5.024 ( 2.077 0.000 1.284) 2.442 5.079 ( -2.324 0.000 2.090) 3.126 5.116 ( -2.763 0.000 -1.482) 3.136 5.232 ( -1.125 0.000 0.683) 1.317 5.304 ( 5.131 0.000 -1.823) 5.446 5.305 ( -1.645 0.000 -1.277) 2.082 5.392 ( 1.420 0.000 2.181) 2.603 5.493 ( 3.227 0.000 -1.015) 3.383 5.535 ( 7.598 0.000 -4.291) 8.726 5.643 ( -0.070 0.000 3.210) 3.211 5.665 ( 4.261 0.000 -5.185) 6.711 5.727 ( 0.301 0.000 3.268) 3.282 5.770 ( 0.112 0.000 -1.425) 1.430 5.871 ( 2.608 0.000 -0.425) 2.642 5.904 ( 2.315 0.000 0.213) 2.324 5.961 ( 2.514 0.000 0.831) 2.647 6.116 ( -1.182 0.000 -1.797) 2.151 6.159 ( 2.142 0.000 -5.376) 5.787 6.188 ( 11.132 0.000 0.721) 11.155 6.300 ( 4.914 0.000 -8.072) 9.450 6.476 ( 0.785 0.000 -0.367) 0.867 6.617 ( 2.591 0.000 10.749) 11.057 6.725 ( 4.936 0.000 6.679) 8.305 6.902 ( -0.090 0.000 -2.605) 2.607 7.054 ( 1.231 0.000 1.935) 2.293 7.142 ( 5.840 0.000 -0.179) 5.843 7.259 ( 6.262 0.000 -2.164) 6.626 7.291 ( 9.005 0.000 2.501) 9.346 7.406 ( -1.063 0.000 6.100) 6.192 7.445 ( 6.521 0.000 -0.981) 6.595 7.471 ( 5.281 0.000 1.970) 5.636 7.748 ( 8.409 0.000 -0.232) 8.412 7.786 ( 4.967 0.000 -10.417) 11.541 8.025 ( 6.947 0.000 -3.759) 7.899 8.084 ( 0.068 0.000 1.356) 1.358 8.148 ( -1.501 0.000 -1.814) 2.354 8.210 ( 0.518 0.000 4.820) 4.847 8.516 ( 1.837 0.000 0.199) 1.848 8.526 ( 4.562 0.000 4.028) 6.086 8.745 ( 7.006 0.000 0.387) 7.016 8.841 ( 8.394 0.000 -12.488) 15.047 8.941 ( 0.790 0.000 -2.774) 2.885 9.010 ( -0.534 0.000 -7.287) 7.306 9.174 ( -0.005 0.000 -1.925) 1.925 9.251 ( 0.085 0.000 -5.257) 5.258 9.284 ( 0.338 0.000 0.665) 0.746 9.455 ( -0.619 0.000 0.667) 0.910 9.524 ( 4.482 0.000 -3.013) 5.401 9.630 ( -2.866 0.000 2.167) 3.593 9.677 ( 3.165 0.000 7.159) 7.828 9.682 ( -0.520 0.000 10.580) 10.593 9.838 ( 0.165 0.000 -1.798) 1.805 9.982 ( -3.500 0.000 3.900) 5.240 10.140 ( -2.194 0.000 0.437) 2.237 10.156 ( -1.811 0.000 3.559) 3.993 10.215 ( -6.469 0.000 9.105) 11.169 10.364 ( -2.476 0.000 -0.419) 2.511 10.425 ( -2.256 0.000 -3.418) 4.096 10.668 ( -1.012 0.000 3.613) 3.752 10.676 ( -4.747 0.000 -5.134) 6.992 10.820 ( -0.285 0.000 -2.385) 2.402 10.909 ( -6.592 0.000 2.046) 6.902 10.995 ( -3.556 0.000 -12.464) 12.961 11.346 ( -3.660 0.000 -6.855) 7.771 11.478 ( -4.639 0.000 -1.795) 4.974 11.478 ( -0.918 0.000 -0.495) 1.043 11.507 ( -3.279 0.000 -3.488) 4.787 11.860 ( -0.501 0.000 1.289) 1.383 11.982 ( 1.934 0.000 -6.913) 7.179 12.343 ( 17.266 0.000 -9.461) 19.688 12.349 ( -1.814 0.000 10.842) 10.993 12.442 ( 0.788 0.000 0.628) 1.007 12.695 ( 1.332 0.000 -4.656) 4.843 12.838 ( -22.303 0.000 9.475) 24.232 13.234 ( -8.559 0.000 11.022) 13.955 13.693 ( -5.766 0.000 4.272) 7.176 13.719 ( -0.923 0.000 1.288) 1.585 13.734 ( -1.380 0.000 2.493) 2.849 13.798 ( -0.352 0.000 -1.791) 1.825 13.844 ( -8.673 0.000 4.304) 9.683 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 24.955 0.000 -9.606) 26.740 1.229 ( 22.205 0.000 9.925) 24.322 1.604 ( -16.744 0.000 6.845) 18.089 1.716 ( 14.642 0.000 3.931) 15.161 2.017 ( -6.431 0.000 3.862) 7.501 2.110 ( -12.243 0.000 -4.439) 13.023 2.250 ( 0.672 0.000 -5.879) 5.918 2.274 ( 8.498 0.000 5.745) 10.258 2.430 ( 9.068 0.000 -1.181) 9.145 2.505 ( -3.319 0.000 -9.886) 10.428 2.542 ( 9.499 0.000 1.062) 9.558 2.674 ( -6.903 0.000 -2.285) 7.271 2.756 ( 1.630 0.000 -8.209) 8.369 2.873 ( 3.858 0.000 -3.822) 5.430 2.991 ( -5.435 0.000 6.868) 8.758 3.075 ( -5.835 0.000 -6.813) 8.970 3.224 ( -7.854 0.000 -3.230) 8.492 3.277 ( -3.679 0.000 0.964) 3.804 3.323 ( 2.400 0.000 -8.416) 8.751 3.427 ( -2.586 0.000 0.720) 2.684 3.455 ( -12.842 0.000 5.708) 14.054 3.600 ( -5.342 0.000 4.611) 7.057 3.621 ( 3.315 0.000 -0.411) 3.341 3.634 ( -0.230 0.000 -7.145) 7.149 3.809 ( 3.441 0.000 -0.751) 3.522 3.911 ( -1.788 0.000 -5.128) 5.431 3.978 ( 1.722 0.000 3.485) 3.887 3.996 ( 4.756 0.000 7.869) 9.194 4.173 ( 6.507 0.000 3.051) 7.187 4.252 ( 2.338 0.000 -3.542) 4.245 4.257 ( -8.419 0.000 7.614) 11.352 4.324 ( -8.868 0.000 -5.236) 10.299 4.342 ( 6.099 0.000 1.809) 6.361 4.436 ( 1.419 0.000 0.185) 1.431 4.568 ( -1.490 0.000 10.567) 10.671 4.702 ( 4.094 0.000 -3.538) 5.411 4.717 ( 6.283 0.000 -1.062) 6.373 4.774 ( -4.802 0.000 -0.870) 4.880 4.889 ( 2.882 0.000 -2.985) 4.150 4.929 ( 5.921 0.000 -1.680) 6.155 5.046 ( 0.690 0.000 0.316) 0.759 5.071 ( 0.706 0.000 4.978) 5.028 5.154 ( 3.275 0.000 1.146) 3.470 5.225 ( 0.773 0.000 3.497) 3.582 5.274 ( -0.375 0.000 -1.983) 2.018 5.412 ( 0.391 0.000 0.629) 0.741 5.449 ( 8.212 0.000 -2.037) 8.461 5.562 ( 2.397 0.000 2.827) 3.706 5.612 ( -1.559 0.000 -1.197) 1.966 5.676 ( 2.580 0.000 2.993) 3.951 5.701 ( 2.494 0.000 -6.013) 6.509 5.801 ( 4.084 0.000 -6.168) 7.397 5.810 ( 5.114 0.000 -1.992) 5.488 5.948 ( 3.060 0.000 0.278) 3.073 5.966 ( 5.940 0.000 -0.330) 5.949 6.055 ( 5.314 0.000 2.995) 6.100 6.084 ( -1.272 0.000 0.030) 1.272 6.299 ( 10.540 0.000 -2.887) 10.929 6.394 ( 4.215 0.000 -7.811) 8.876 6.463 ( 12.595 0.000 0.437) 12.603 6.512 ( 3.121 0.000 -0.742) 3.208 6.737 ( 8.978 0.000 9.789) 13.283 6.838 ( 5.740 0.000 8.166) 9.982 6.924 ( 2.481 0.000 -1.154) 2.737 7.068 ( 1.849 0.000 4.058) 4.459 7.255 ( 4.966 0.000 -0.999) 5.066 7.388 ( 0.667 0.000 12.364) 12.382 7.448 ( 9.538 0.000 -4.233) 10.435 7.485 ( 8.198 0.000 2.759) 8.650 7.617 ( 9.062 0.000 2.650) 9.442 7.619 ( 10.932 0.000 -2.489) 11.212 7.921 ( 7.919 0.000 -10.041) 12.788 7.948 ( 10.367 0.000 3.239) 10.861 8.072 ( -0.567 0.000 2.245) 2.315 8.127 ( 0.657 0.000 -0.609) 0.896 8.213 ( 10.330 0.000 -5.082) 11.512 8.234 ( 2.324 0.000 3.694) 4.364 8.573 ( 1.461 0.000 0.960) 1.748 8.578 ( 3.897 0.000 -1.190) 4.075 8.855 ( 2.411 0.000 -2.247) 3.296 8.950 ( 0.370 0.000 -6.123) 6.134 9.022 ( 7.795 0.000 -0.333) 7.802 9.046 ( 5.825 0.000 -3.830) 6.971 9.167 ( -0.477 0.000 1.946) 2.003 9.229 ( -2.110 0.000 -5.480) 5.872 9.281 ( -0.197 0.000 0.956) 0.976 9.445 ( -0.970 0.000 -1.184) 1.531 9.546 ( -5.296 0.000 4.558) 6.987 9.563 ( -3.191 0.000 -3.773) 4.941 9.698 ( 2.694 0.000 7.020) 7.519 9.732 ( 3.256 0.000 3.226) 4.584 9.841 ( -3.097 0.000 -5.740) 6.522 9.931 ( 1.123 0.000 8.302) 8.377 10.074 ( -4.569 0.000 6.509) 7.952 10.082 ( -3.417 0.000 1.427) 3.703 10.152 ( -0.967 0.000 2.682) 2.851 10.302 ( -3.447 0.000 0.088) 3.448 10.375 ( -1.974 0.000 -5.996) 6.313 10.551 ( -6.890 0.000 -3.669) 7.806 10.630 ( -2.734 0.000 3.543) 4.475 10.747 ( -5.907 0.000 4.429) 7.383 10.842 ( -1.529 0.000 -5.583) 5.789 10.877 ( -7.612 0.000 -10.702) 13.133 11.228 ( -7.447 0.000 -3.128) 8.077 11.367 ( -5.645 0.000 -2.188) 6.055 11.406 ( -4.658 0.000 -1.547) 4.908 11.439 ( -4.143 0.000 -4.040) 5.787 11.883 ( 1.925 0.000 -2.281) 2.985 11.978 ( -1.333 0.000 -2.216) 2.586 12.317 ( -1.070 0.000 10.541) 10.595 12.331 ( -11.824 0.000 10.156) 15.587 12.490 ( 0.524 0.000 4.398) 4.429 12.708 ( 0.127 0.000 -4.139) 4.141 12.721 ( 7.908 0.000 -18.163) 19.810 13.018 ( -12.228 0.000 11.292) 16.644 13.555 ( -8.669 0.000 1.855) 8.865 13.682 ( -2.201 0.000 1.629) 2.738 13.711 ( -3.190 0.000 -0.023) 3.190 13.714 ( -0.931 0.000 1.711) 1.948 13.808 ( 0.078 0.000 0.706) 0.710 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -11.865 0.000 1.702) 11.987 1.451 ( 23.428 0.000 -16.698) 28.770 1.631 ( -13.458 0.000 1.109) 13.504 1.674 ( 12.016 0.000 4.136) 12.708 1.835 ( -6.415 0.000 1.421) 6.570 2.097 ( 9.265 0.000 -6.444) 11.285 2.281 ( 2.523 0.000 -7.175) 7.606 2.425 ( 4.952 0.000 1.817) 5.275 2.454 ( -1.387 0.000 -7.201) 7.333 2.607 ( 5.639 0.000 4.195) 7.029 2.624 ( 0.141 0.000 -3.890) 3.893 2.750 ( 6.846 0.000 -3.075) 7.505 2.801 ( 6.120 0.000 -4.540) 7.621 2.891 ( -5.760 0.000 11.282) 12.667 2.941 ( -16.590 0.000 0.544) 16.599 2.984 ( 2.119 0.000 -1.229) 2.450 3.047 ( 6.265 0.000 0.426) 6.280 3.089 ( -9.636 0.000 3.596) 10.285 3.185 ( -12.825 0.000 2.605) 13.087 3.284 ( -8.790 0.000 -2.984) 9.283 3.360 ( -0.125 0.000 -5.542) 5.544 3.534 ( -0.523 0.000 5.614) 5.639 3.691 ( 3.250 0.000 -7.172) 7.874 3.730 ( 3.622 0.000 6.794) 7.699 3.870 ( -2.802 0.000 -4.002) 4.886 3.923 ( -1.568 0.000 5.299) 5.526 3.958 ( -15.676 0.000 -0.245) 15.678 3.979 ( 7.618 0.000 -0.541) 7.637 4.052 ( -1.193 0.000 6.767) 6.872 4.160 ( -3.787 0.000 1.314) 4.008 4.284 ( 1.609 0.000 -4.354) 4.642 4.346 ( 6.378 0.000 1.239) 6.497 4.388 ( 0.119 0.000 1.127) 1.133 4.437 ( -2.161 0.000 -1.409) 2.580 4.569 ( 2.285 0.000 9.650) 9.917 4.707 ( 1.595 0.000 -7.253) 7.427 4.810 ( 2.095 0.000 -3.210) 3.833 4.843 ( 6.328 0.000 -1.217) 6.444 4.950 ( 2.345 0.000 -1.404) 2.733 4.969 ( -1.265 0.000 4.355) 4.535 5.087 ( 0.585 0.000 5.550) 5.581 5.150 ( 7.743 0.000 -4.290) 8.853 5.197 ( -1.024 0.000 0.001) 1.024 5.259 ( 2.151 0.000 3.687) 4.269 5.302 ( 2.962 0.000 -2.962) 4.189 5.404 ( -1.081 0.000 0.905) 1.410 5.496 ( -3.528 0.000 4.520) 5.734 5.607 ( 2.380 0.000 2.990) 3.822 5.649 ( 7.084 0.000 -4.166) 8.218 5.709 ( 0.796 0.000 0.778) 1.113 5.736 ( 1.305 0.000 -4.116) 4.318 5.899 ( 2.607 0.000 -3.022) 3.991 5.900 ( 4.197 0.000 -5.074) 6.585 6.040 ( 5.350 0.000 0.661) 5.390 6.042 ( 0.887 0.000 0.266) 0.927 6.063 ( -0.230 0.000 -0.652) 0.692 6.171 ( 5.272 0.000 3.519) 6.339 6.460 ( 2.094 0.000 -7.973) 8.244 6.506 ( 7.129 0.000 -0.527) 7.149 6.580 ( 5.315 0.000 -0.818) 5.378 6.650 ( 5.026 0.000 -1.132) 5.152 6.866 ( 2.273 0.000 11.964) 12.177 6.978 ( 3.370 0.000 5.085) 6.101 7.035 ( 10.555 0.000 0.733) 10.581 7.173 ( 7.505 0.000 6.519) 9.941 7.349 ( 4.452 0.000 -2.947) 5.339 7.427 ( 4.403 0.000 12.624) 13.370 7.581 ( 3.852 0.000 -4.769) 6.130 7.673 ( 7.960 0.000 -2.821) 8.445 7.781 ( 7.292 0.000 6.346) 9.667 7.869 ( 11.878 0.000 -3.740) 12.453 8.041 ( 3.655 0.000 -0.923) 3.769 8.126 ( 6.010 0.000 -2.077) 6.359 8.133 ( 6.871 0.000 2.446) 7.293 8.187 ( 6.247 0.000 1.161) 6.354 8.322 ( 6.212 0.000 1.953) 6.512 8.424 ( 9.444 0.000 -3.949) 10.237 8.596 ( 1.225 0.000 -1.097) 1.645 8.657 ( 3.421 0.000 -2.245) 4.092 8.877 ( 0.563 0.000 -1.578) 1.676 8.936 ( -0.486 0.000 -5.310) 5.332 9.074 ( -3.002 0.000 0.472) 3.039 9.147 ( -4.280 0.000 0.024) 4.280 9.174 ( 4.984 0.000 4.075) 6.438 9.288 ( 0.905 0.000 0.888) 1.268 9.304 ( 10.039 0.000 -1.218) 10.112 9.408 ( -1.842 0.000 -1.718) 2.519 9.425 ( -4.765 0.000 4.324) 6.434 9.425 ( -8.054 0.000 -0.576) 8.074 9.658 ( -10.537 0.000 1.464) 10.639 9.797 ( 5.752 0.000 2.019) 6.096 9.827 ( 3.004 0.000 1.077) 3.192 9.965 ( -0.526 0.000 -2.543) 2.597 10.011 ( -3.124 0.000 3.615) 4.778 10.069 ( 4.126 0.000 5.890) 7.191 10.137 ( -0.734 0.000 0.254) 0.776 10.221 ( -4.766 0.000 0.274) 4.773 10.363 ( 0.765 0.000 -6.921) 6.963 10.406 ( -6.974 0.000 -2.537) 7.421 10.566 ( -3.475 0.000 2.819) 4.474 10.617 ( -6.338 0.000 3.509) 7.245 10.699 ( -8.433 0.000 -9.473) 12.683 10.810 ( -1.469 0.000 -5.454) 5.649 11.061 ( -8.264 0.000 -0.196) 8.266 11.269 ( -3.529 0.000 -2.572) 4.367 11.302 ( -5.688 0.000 -7.828) 9.676 11.355 ( -3.028 0.000 0.742) 3.117 11.911 ( -6.343 0.000 4.857) 7.989 11.915 ( 1.175 0.000 -2.739) 2.980 12.129 ( -5.933 0.000 -4.430) 7.404 12.322 ( 1.231 0.000 9.398) 9.478 12.506 ( 0.549 0.000 4.980) 5.011 12.690 ( -3.629 0.000 -4.787) 6.007 12.787 ( -8.078 0.000 12.187) 14.621 12.877 ( 7.089 0.000 -12.276) 14.176 13.372 ( -8.391 0.000 -1.285) 8.489 13.641 ( -1.760 0.000 1.536) 2.336 13.677 ( -0.707 0.000 0.663) 0.969 13.696 ( -0.779 0.000 1.636) 1.812 13.808 ( -0.118 0.000 0.269) 0.294 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 1.162 0.000 -3.583) 3.767 1.374 ( -7.188 0.000 -1.476) 7.338 1.530 ( -9.195 0.000 -1.886) 9.387 1.921 ( 18.975 0.000 -19.114) 26.933 2.080 ( 11.612 0.000 4.392) 12.415 2.195 ( 0.154 0.000 -5.089) 5.092 2.388 ( 3.537 0.000 -2.620) 4.401 2.420 ( -1.788 0.000 -4.872) 5.190 2.487 ( -0.013 0.000 -1.265) 1.266 2.509 ( -6.047 0.000 -0.872) 6.110 2.669 ( 4.817 0.000 -5.451) 7.274 2.716 ( -4.041 0.000 4.042) 5.715 2.788 ( -3.990 0.000 3.939) 5.606 2.865 ( -0.499 0.000 -6.455) 6.474 2.887 ( 3.655 0.000 1.665) 4.017 2.889 ( -12.275 0.000 3.620) 12.797 2.976 ( -0.681 0.000 1.003) 1.213 3.074 ( -2.405 0.000 -0.960) 2.590 3.085 ( 6.684 0.000 0.592) 6.710 3.308 ( -4.949 0.000 0.974) 5.044 3.323 ( 8.887 0.000 3.270) 9.470 3.486 ( -11.882 0.000 9.395) 15.147 3.569 ( -5.796 0.000 -3.293) 6.666 3.703 ( -0.602 0.000 -3.691) 3.739 3.739 ( -4.435 0.000 10.667) 11.552 3.885 ( 0.292 0.000 -1.490) 1.519 3.930 ( 2.399 0.000 2.380) 3.379 4.021 ( -3.255 0.000 -0.259) 3.265 4.093 ( 1.472 0.000 0.899) 1.724 4.198 ( 3.279 0.000 5.393) 6.311 4.258 ( -3.913 0.000 0.532) 3.949 4.401 ( 3.540 0.000 -4.227) 5.514 4.428 ( 5.733 0.000 -5.751) 8.120 4.476 ( 4.408 0.000 3.180) 5.436 4.639 ( 3.222 0.000 5.298) 6.201 4.768 ( 3.537 0.000 -4.530) 5.747 4.804 ( -1.710 0.000 -4.587) 4.895 4.945 ( -0.562 0.000 4.664) 4.697 4.947 ( 2.624 0.000 1.024) 2.817 4.984 ( 0.861 0.000 -0.156) 0.875 5.074 ( -6.398 0.000 -3.366) 7.230 5.101 ( -1.163 0.000 5.532) 5.653 5.235 ( -0.024 0.000 -1.502) 1.502 5.300 ( 1.465 0.000 1.009) 1.779 5.373 ( 2.953 0.000 -3.531) 4.603 5.393 ( 0.587 0.000 4.059) 4.101 5.466 ( -0.510 0.000 5.187) 5.212 5.644 ( 0.427 0.000 1.744) 1.796 5.723 ( 0.823 0.000 -1.800) 1.979 5.752 ( 2.273 0.000 -5.587) 6.032 5.787 ( 4.153 0.000 -0.767) 4.223 5.917 ( -0.162 0.000 0.636) 0.656 5.952 ( 1.139 0.000 -3.063) 3.268 6.024 ( -2.098 0.000 0.997) 2.323 6.058 ( -0.744 0.000 -3.838) 3.909 6.128 ( 2.722 0.000 0.189) 2.729 6.257 ( 2.948 0.000 3.011) 4.214 6.472 ( -0.436 0.000 -8.180) 8.191 6.572 ( 1.101 0.000 0.374) 1.163 6.645 ( 0.629 0.000 2.360) 2.443 6.755 ( 4.089 0.000 -4.272) 5.913 6.880 ( -0.741 0.000 10.895) 10.920 7.012 ( -0.279 0.000 0.438) 0.519 7.156 ( 1.338 0.000 9.599) 9.692 7.283 ( 1.749 0.000 4.954) 5.254 7.443 ( 4.269 0.000 -2.879) 5.149 7.570 ( 5.111 0.000 5.662) 7.628 7.620 ( 0.862 0.000 -2.991) 3.112 7.704 ( -2.198 0.000 -5.823) 6.224 7.945 ( 6.663 0.000 9.073) 11.257 8.018 ( 2.092 0.000 -4.407) 4.879 8.149 ( 4.541 0.000 3.770) 5.901 8.233 ( 5.275 0.000 -2.872) 6.006 8.240 ( 3.189 0.000 3.574) 4.790 8.373 ( 11.579 0.000 -1.608) 11.690 8.430 ( 3.360 0.000 0.772) 3.447 8.546 ( 1.285 0.000 -3.009) 3.272 8.657 ( 4.322 0.000 -2.425) 4.956 8.701 ( 0.874 0.000 -3.045) 3.168 8.847 ( -5.661 0.000 1.277) 5.803 8.953 ( 2.868 0.000 -1.138) 3.085 9.041 ( 1.560 0.000 -0.960) 1.832 9.059 ( -2.081 0.000 1.733) 2.708 9.195 ( -3.984 0.000 4.324) 5.880 9.211 ( -4.059 0.000 -1.663) 4.387 9.257 ( -5.501 0.000 3.481) 6.510 9.374 ( -1.843 0.000 7.634) 7.853 9.385 ( -0.986 0.000 1.393) 1.707 9.477 ( -4.053 0.000 0.929) 4.158 9.587 ( 10.762 0.000 -7.043) 12.862 9.861 ( -0.110 0.000 -1.052) 1.058 9.884 ( 2.277 0.000 0.967) 2.474 9.943 ( -0.966 0.000 -6.294) 6.367 9.989 ( 1.223 0.000 2.505) 2.788 10.082 ( -9.681 0.000 0.196) 9.683 10.119 ( -0.210 0.000 1.152) 1.171 10.159 ( 2.677 0.000 2.708) 3.808 10.293 ( -2.687 0.000 -1.632) 3.144 10.372 ( 0.531 0.000 -5.481) 5.507 10.480 ( -4.278 0.000 -0.162) 4.281 10.526 ( -2.077 0.000 4.146) 4.638 10.627 ( 2.178 0.000 -5.158) 5.599 10.784 ( -0.918 0.000 -4.964) 5.048 10.929 ( -3.636 0.000 2.222) 4.261 11.182 ( -5.503 0.000 -9.063) 10.603 11.229 ( -0.479 0.000 -3.196) 3.231 11.335 ( 1.217 0.000 1.346) 1.814 11.743 ( -8.521 0.000 3.044) 9.048 11.935 ( 1.106 0.000 -2.001) 2.287 12.085 ( 0.305 0.000 -9.570) 9.575 12.356 ( 1.340 0.000 8.657) 8.760 12.502 ( -1.349 0.000 6.137) 6.284 12.525 ( -8.460 0.000 2.308) 8.769 12.762 ( 2.129 0.000 4.438) 4.922 13.007 ( 6.250 0.000 -8.041) 10.184 13.244 ( -3.630 0.000 -2.123) 4.205 13.615 ( -0.741 0.000 1.468) 1.645 13.672 ( -0.015 0.000 0.598) 0.598 13.686 ( -0.147 0.000 1.743) 1.749 13.806 ( -0.011 0.000 0.153) 0.153 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 8.374 0.000 0.405) 8.384 1.384 ( 8.207 0.000 -1.679) 8.377 1.418 ( 0.296 0.000 -5.134) 5.143 1.896 ( -16.491 0.000 -13.851) 21.536 2.074 ( -9.276 0.000 3.345) 9.861 2.193 ( -11.171 0.000 -8.084) 13.789 2.389 ( 13.299 0.000 -6.367) 14.745 2.450 ( -1.234 0.000 -2.249) 2.565 2.538 ( -3.516 0.000 -0.772) 3.600 2.587 ( 12.013 0.000 3.553) 12.528 2.665 ( 0.184 0.000 3.001) 3.006 2.717 ( -5.644 0.000 -4.459) 7.193 2.765 ( 9.678 0.000 -0.791) 9.710 2.805 ( -3.830 0.000 -4.004) 5.541 2.852 ( 4.538 0.000 2.985) 5.431 2.875 ( 1.370 0.000 -1.406) 1.963 2.994 ( -6.296 0.000 -4.155) 7.544 3.087 ( 5.106 0.000 4.008) 6.491 3.197 ( -4.033 0.000 4.116) 5.763 3.243 ( -2.783 0.000 3.284) 4.304 3.309 ( 13.631 0.000 1.168) 13.681 3.399 ( -5.009 0.000 0.331) 5.020 3.515 ( 0.471 0.000 9.444) 9.456 3.714 ( 1.729 0.000 -2.380) 2.942 3.753 ( 4.245 0.000 0.034) 4.245 3.893 ( -6.456 0.000 -5.286) 8.344 3.962 ( -0.756 0.000 2.004) 2.142 4.000 ( 9.654 0.000 3.790) 10.371 4.051 ( -3.773 0.000 -0.314) 3.786 4.154 ( -5.487 0.000 5.807) 7.989 4.192 ( -2.465 0.000 -0.925) 2.633 4.399 ( -3.067 0.000 -0.012) 3.068 4.549 ( 0.402 0.000 1.432) 1.487 4.648 ( -2.613 0.000 6.656) 7.151 4.651 ( 9.226 0.000 -3.612) 9.908 4.794 ( -1.646 0.000 1.785) 2.428 4.808 ( 3.227 0.000 -4.484) 5.525 4.891 ( -1.528 0.000 -0.467) 1.598 4.961 ( 1.774 0.000 3.251) 3.703 4.995 ( 0.246 0.000 -1.769) 1.786 5.065 ( 3.384 0.000 -1.408) 3.666 5.088 ( -0.659 0.000 3.547) 3.607 5.184 ( -4.121 0.000 -2.208) 4.676 5.313 ( -0.284 0.000 -1.070) 1.107 5.386 ( -1.054 0.000 1.599) 1.915 5.420 ( 1.056 0.000 2.694) 2.894 5.432 ( -3.100 0.000 2.774) 4.160 5.606 ( -4.403 0.000 0.870) 4.488 5.730 ( -0.468 0.000 -2.007) 2.061 5.794 ( 1.987 0.000 -3.937) 4.410 5.835 ( 0.112 0.000 0.064) 0.129 5.905 ( -1.153 0.000 -0.199) 1.170 5.952 ( -0.880 0.000 -2.616) 2.760 5.967 ( -3.328 0.000 1.946) 3.855 6.032 ( -1.096 0.000 -3.982) 4.130 6.144 ( -1.052 0.000 0.589) 1.205 6.300 ( 1.437 0.000 2.606) 2.976 6.445 ( -2.153 0.000 -8.139) 8.419 6.578 ( -0.413 0.000 0.877) 0.969 6.635 ( -1.824 0.000 1.265) 2.219 6.751 ( -4.622 0.000 -4.752) 6.629 6.846 ( -2.905 0.000 10.911) 11.291 6.964 ( -4.193 0.000 -2.883) 5.088 7.145 ( -2.047 0.000 11.641) 11.819 7.258 ( -3.728 0.000 4.364) 5.740 7.452 ( -3.374 0.000 -2.452) 4.171 7.464 ( -12.130 0.000 -5.226) 13.208 7.654 ( 2.273 0.000 -1.732) 2.858 7.691 ( -2.436 0.000 5.582) 6.091 7.972 ( -5.704 0.000 -3.571) 6.729 7.999 ( -2.610 0.000 2.556) 3.653 8.177 ( -0.300 0.000 2.889) 2.905 8.239 ( -4.200 0.000 2.744) 5.017 8.292 ( -0.036 0.000 0.931) 0.932 8.448 ( -9.156 0.000 0.214) 9.159 8.475 ( -1.713 0.000 1.429) 2.231 8.580 ( 3.612 0.000 0.198) 3.617 8.679 ( -5.530 0.000 -5.266) 7.636 8.681 ( 0.113 0.000 1.839) 1.843 8.722 ( 1.234 0.000 -5.230) 5.373 9.037 ( 0.526 0.000 0.742) 0.910 9.078 ( 6.558 0.000 4.264) 7.822 9.134 ( 0.275 0.000 -0.806) 0.852 9.152 ( 5.587 0.000 1.568) 5.803 9.185 ( 0.812 0.000 0.348) 0.883 9.209 ( 1.690 0.000 2.292) 2.848 9.345 ( -3.441 0.000 0.610) 3.495 9.353 ( 3.165 0.000 3.697) 4.866 9.410 ( -5.089 0.000 0.728) 5.141 9.719 ( 0.308 0.000 -3.147) 3.162 9.823 ( -2.636 0.000 -3.150) 4.108 9.839 ( -8.028 0.000 1.051) 8.097 9.926 ( 0.586 0.000 1.192) 1.328 9.928 ( -0.894 0.000 -5.579) 5.650 10.049 ( 3.759 0.000 -1.891) 4.208 10.132 ( 1.448 0.000 2.043) 2.504 10.164 ( -0.840 0.000 1.640) 1.843 10.342 ( 6.215 0.000 -0.055) 6.216 10.403 ( -0.208 0.000 -3.624) 3.630 10.441 ( 2.567 0.000 -2.164) 3.357 10.533 ( 2.058 0.000 5.108) 5.507 10.726 ( 7.349 0.000 -2.191) 7.668 10.772 ( -0.172 0.000 -5.552) 5.555 10.933 ( 3.144 0.000 2.087) 3.774 11.086 ( -3.336 0.000 -9.730) 10.286 11.240 ( 1.562 0.000 -2.890) 3.285 11.410 ( 5.842 0.000 2.678) 6.427 11.617 ( -3.301 0.000 -2.675) 4.249 11.969 ( 2.428 0.000 -0.326) 2.450 12.104 ( 1.411 0.000 -8.822) 8.934 12.362 ( -1.046 0.000 7.635) 7.706 12.402 ( -3.604 0.000 0.146) 3.607 12.451 ( -3.479 0.000 5.027) 6.113 12.844 ( 5.810 0.000 5.540) 8.028 13.140 ( 7.173 0.000 -5.857) 9.260 13.225 ( 1.593 0.000 -0.171) 1.602 13.612 ( 0.435 0.000 1.381) 1.448 13.673 ( 0.142 0.000 0.722) 0.736 13.692 ( 0.678 0.000 1.960) 2.074 13.810 ( 0.511 0.000 0.189) 0.545 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 2.619 0.000 5.383) 5.986 1.431 ( -21.193 0.000 -10.483) 23.644 1.579 ( 1.220 0.000 -3.649) 3.848 1.702 ( 14.868 0.000 -1.866) 14.985 1.770 ( -8.238 0.000 2.454) 8.595 2.191 ( 7.884 0.000 -14.873) 16.833 2.320 ( -11.189 0.000 6.389) 12.884 2.369 ( -6.471 0.000 -3.299) 7.263 2.492 ( -8.457 0.000 0.836) 8.498 2.586 ( -4.826 0.000 -6.038) 7.730 2.687 ( -5.362 0.000 0.756) 5.415 2.721 ( 4.531 0.000 0.743) 4.591 2.840 ( -3.050 0.000 4.588) 5.510 2.859 ( -0.924 0.000 -0.811) 1.229 2.930 ( -1.246 0.000 -1.411) 1.883 2.947 ( 17.694 0.000 2.736) 17.905 3.025 ( 10.472 0.000 -0.380) 10.479 3.137 ( -0.843 0.000 -2.130) 2.291 3.221 ( 2.165 0.000 -1.461) 2.612 3.247 ( 9.337 0.000 2.291) 9.614 3.446 ( 1.982 0.000 1.573) 2.530 3.509 ( 3.329 0.000 -0.160) 3.333 3.578 ( 10.601 0.000 3.425) 11.140 3.743 ( -0.692 0.000 -5.500) 5.544 3.752 ( -2.388 0.000 -6.494) 6.919 3.881 ( -3.510 0.000 1.172) 3.701 3.894 ( 7.292 0.000 0.135) 7.293 4.015 ( -0.635 0.000 2.151) 2.243 4.039 ( -4.470 0.000 3.954) 5.968 4.139 ( -3.107 0.000 0.904) 3.236 4.248 ( 12.403 0.000 4.510) 13.198 4.313 ( -4.563 0.000 -2.301) 5.110 4.492 ( -4.863 0.000 4.990) 6.967 4.575 ( -4.143 0.000 6.022) 7.309 4.652 ( -3.179 0.000 -1.361) 3.458 4.803 ( -0.723 0.000 -1.353) 1.534 4.876 ( 1.850 0.000 -0.958) 2.083 4.886 ( -2.416 0.000 1.782) 3.002 4.975 ( -1.967 0.000 2.281) 3.012 5.003 ( 1.347 0.000 1.184) 1.794 5.051 ( -1.356 0.000 2.169) 2.558 5.090 ( -4.167 0.000 -5.138) 6.616 5.157 ( 0.650 0.000 -1.970) 2.074 5.282 ( -3.207 0.000 3.569) 4.798 5.360 ( -0.302 0.000 -3.618) 3.630 5.391 ( 1.642 0.000 -0.638) 1.761 5.418 ( -2.518 0.000 1.433) 2.898 5.488 ( -5.161 0.000 3.347) 6.151 5.701 ( -2.167 0.000 -0.719) 2.283 5.759 ( -5.591 0.000 1.711) 5.847 5.843 ( 0.595 0.000 -3.703) 3.750 5.870 ( -1.725 0.000 -4.302) 4.634 5.896 ( -3.421 0.000 1.304) 3.661 5.926 ( -1.207 0.000 -2.142) 2.459 6.030 ( 0.956 0.000 -0.508) 1.082 6.094 ( -3.674 0.000 1.659) 4.031 6.304 ( -2.298 0.000 7.172) 7.531 6.371 ( -4.714 0.000 -11.354) 12.294 6.512 ( -7.450 0.000 -0.464) 7.464 6.582 ( -8.736 0.000 -3.700) 9.487 6.595 ( -3.557 0.000 -1.014) 3.698 6.762 ( -5.710 0.000 10.001) 11.516 6.853 ( -6.129 0.000 -4.145) 7.399 7.089 ( -3.467 0.000 8.146) 8.853 7.164 ( -4.575 0.000 6.159) 7.672 7.181 ( -13.696 0.000 -1.544) 13.782 7.354 ( -5.378 0.000 -2.322) 5.858 7.567 ( -8.695 0.000 5.498) 10.287 7.674 ( -0.849 0.000 -1.499) 1.723 7.807 ( -10.108 0.000 -2.760) 10.478 7.892 ( -6.131 0.000 0.044) 6.131 8.032 ( -14.679 0.000 1.208) 14.729 8.134 ( -4.489 0.000 1.163) 4.637 8.269 ( -2.004 0.000 2.667) 3.336 8.306 ( -4.212 0.000 3.144) 5.255 8.329 ( -9.281 0.000 1.826) 9.459 8.424 ( -11.848 0.000 -6.862) 13.692 8.599 ( -4.019 0.000 -3.357) 5.237 8.742 ( 3.437 0.000 7.614) 8.354 8.841 ( 5.539 0.000 -3.034) 6.315 9.037 ( -2.312 0.000 -4.273) 4.858 9.071 ( -3.013 0.000 -1.644) 3.433 9.140 ( -0.510 0.000 1.891) 1.959 9.219 ( -2.879 0.000 3.141) 4.261 9.240 ( 2.273 0.000 1.187) 2.564 9.249 ( -2.947 0.000 1.072) 3.136 9.319 ( 4.062 0.000 -1.769) 4.431 9.381 ( 5.882 0.000 0.969) 5.962 9.473 ( 6.996 0.000 -5.124) 8.672 9.652 ( -1.535 0.000 6.037) 6.229 9.722 ( -5.356 0.000 0.486) 5.378 9.804 ( 1.723 0.000 -0.952) 1.969 9.883 ( -3.453 0.000 -2.509) 4.268 10.013 ( 5.545 0.000 3.147) 6.376 10.128 ( 4.424 0.000 -3.869) 5.877 10.153 ( 0.128 0.000 1.956) 1.960 10.179 ( 2.908 0.000 3.937) 4.894 10.391 ( 0.473 0.000 -2.922) 2.960 10.495 ( 8.024 0.000 0.842) 8.068 10.518 ( 3.578 0.000 -2.366) 4.289 10.583 ( 2.294 0.000 4.238) 4.819 10.772 ( 0.290 0.000 -7.053) 7.059 10.913 ( 9.633 0.000 -2.999) 10.089 10.982 ( 0.814 0.000 -6.464) 6.515 11.091 ( 4.994 0.000 -5.100) 7.138 11.297 ( 4.234 0.000 -1.445) 4.474 11.539 ( 5.658 0.000 4.082) 6.977 11.600 ( 1.005 0.000 -7.081) 7.152 12.041 ( 4.748 0.000 3.813) 6.090 12.124 ( 0.398 0.000 -6.767) 6.779 12.316 ( -3.865 0.000 7.357) 8.310 12.381 ( 1.864 0.000 -5.136) 5.464 12.386 ( -2.448 0.000 2.478) 3.483 12.993 ( 8.325 0.000 7.926) 11.495 13.252 ( 3.658 0.000 -4.464) 5.771 13.337 ( 9.269 0.000 2.617) 9.632 13.632 ( 1.368 0.000 1.267) 1.865 13.680 ( 0.584 0.000 1.099) 1.244 13.713 ( 1.274 0.000 2.248) 2.583 13.826 ( 0.988 0.000 0.406) 1.068 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -24.524 0.000 -7.461) 25.634 1.193 ( -23.055 0.000 8.015) 24.409 1.498 ( 10.587 0.000 2.737) 10.935 1.889 ( -19.050 0.000 13.838) 23.546 1.977 ( 14.301 0.000 -6.699) 15.792 2.045 ( 1.424 0.000 5.810) 5.982 2.195 ( -3.427 0.000 -10.920) 11.445 2.346 ( -4.192 0.000 5.947) 7.276 2.427 ( -7.609 0.000 -4.870) 9.034 2.496 ( 13.006 0.000 -10.101) 16.468 2.600 ( -3.532 0.000 2.949) 4.601 2.755 ( -3.556 0.000 1.309) 3.789 2.835 ( -0.200 0.000 -6.307) 6.310 2.836 ( 6.349 0.000 1.532) 6.531 2.927 ( 0.418 0.000 -0.708) 0.822 3.123 ( 0.022 0.000 -3.340) 3.340 3.215 ( -2.200 0.000 -7.780) 8.085 3.216 ( 8.117 0.000 -2.191) 8.408 3.239 ( 10.343 0.000 -0.451) 10.353 3.451 ( 5.087 0.000 -1.881) 5.424 3.462 ( -3.042 0.000 0.529) 3.088 3.594 ( 9.479 0.000 -3.717) 10.181 3.618 ( -4.390 0.000 -0.216) 4.395 3.737 ( 4.378 0.000 1.269) 4.558 3.826 ( 4.406 0.000 -0.202) 4.410 3.891 ( 0.170 0.000 0.734) 0.754 4.011 ( 2.838 0.000 3.328) 4.374 4.017 ( 0.816 0.000 1.738) 1.920 4.044 ( -6.534 0.000 3.076) 7.222 4.054 ( 7.277 0.000 -2.305) 7.633 4.258 ( 0.080 0.000 0.920) 0.923 4.401 ( -3.386 0.000 8.516) 9.164 4.462 ( 7.888 0.000 2.110) 8.165 4.490 ( -4.203 0.000 6.068) 7.382 4.597 ( -2.499 0.000 -2.092) 3.259 4.771 ( -0.859 0.000 0.149) 0.872 4.792 ( -6.553 0.000 1.294) 6.679 4.830 ( -6.643 0.000 0.020) 6.643 4.870 ( -7.641 0.000 -1.862) 7.865 4.985 ( -3.092 0.000 -0.717) 3.174 5.030 ( -1.481 0.000 -4.873) 5.093 5.033 ( -3.383 0.000 -4.822) 5.890 5.111 ( 0.204 0.000 5.704) 5.707 5.215 ( -1.924 0.000 4.019) 4.456 5.341 ( -1.854 0.000 -0.948) 2.083 5.382 ( 1.530 0.000 -2.268) 2.736 5.422 ( -2.550 0.000 -2.049) 3.271 5.423 ( -3.192 0.000 2.955) 4.350 5.646 ( -5.009 0.000 -1.037) 5.115 5.655 ( -1.936 0.000 0.951) 2.157 5.775 ( -4.591 0.000 -2.281) 5.127 5.852 ( 0.101 0.000 0.296) 0.313 5.873 ( -0.615 0.000 -2.804) 2.871 5.917 ( 0.458 0.000 -0.840) 0.956 6.002 ( -5.416 0.000 2.232) 5.858 6.060 ( 1.340 0.000 -0.434) 1.409 6.154 ( -11.166 0.000 5.808) 12.586 6.280 ( -4.342 0.000 -9.556) 10.497 6.313 ( -11.200 0.000 -2.551) 11.487 6.346 ( -11.072 0.000 -3.800) 11.706 6.552 ( -2.419 0.000 0.885) 2.576 6.637 ( -5.784 0.000 5.875) 8.245 6.749 ( -3.270 0.000 2.126) 3.901 6.954 ( -6.960 0.000 -2.612) 7.434 7.041 ( -1.883 0.000 5.989) 6.278 7.108 ( -1.065 0.000 4.709) 4.828 7.246 ( -5.245 0.000 -0.850) 5.314 7.396 ( -7.652 0.000 6.246) 9.877 7.530 ( -13.167 0.000 0.844) 13.194 7.649 ( -5.860 0.000 -2.129) 6.235 7.740 ( -11.668 0.000 -2.169) 11.868 7.774 ( -5.696 0.000 1.852) 5.990 7.974 ( -10.131 0.000 -4.325) 11.016 8.178 ( -11.258 0.000 -8.416) 14.056 8.190 ( -4.027 0.000 4.302) 5.893 8.225 ( -2.473 0.000 3.679) 4.433 8.246 ( -2.199 0.000 2.319) 3.195 8.526 ( -2.580 0.000 -0.308) 2.599 8.748 ( -4.280 0.000 4.277) 6.051 8.855 ( -6.825 0.000 -2.236) 7.182 8.945 ( -1.092 0.000 -4.831) 4.953 9.012 ( -1.556 0.000 -4.100) 4.386 9.098 ( -3.283 0.000 -3.676) 4.928 9.211 ( 1.563 0.000 2.162) 2.668 9.229 ( 0.679 0.000 3.351) 3.419 9.275 ( -0.675 0.000 -4.824) 4.871 9.388 ( 2.930 0.000 -1.536) 3.308 9.426 ( 0.280 0.000 -1.894) 1.914 9.636 ( 7.457 0.000 -3.850) 8.392 9.641 ( -1.895 0.000 5.114) 5.454 9.675 ( 2.194 0.000 8.417) 8.698 9.772 ( -5.363 0.000 -2.301) 5.836 9.903 ( 5.143 0.000 3.342) 6.133 10.096 ( 2.819 0.000 1.633) 3.258 10.161 ( 0.657 0.000 2.907) 2.980 10.240 ( 6.078 0.000 -1.317) 6.219 10.271 ( 6.326 0.000 7.807) 10.048 10.423 ( 2.228 0.000 -1.209) 2.535 10.582 ( 2.931 0.000 -2.542) 3.880 10.591 ( -0.122 0.000 1.744) 1.748 10.668 ( 6.709 0.000 1.205) 6.816 10.783 ( 1.368 0.000 -6.174) 6.324 10.969 ( 0.772 0.000 -11.853) 11.878 11.123 ( 8.689 0.000 -3.800) 9.483 11.224 ( 7.191 0.000 -5.146) 8.843 11.404 ( 5.777 0.000 -0.517) 5.800 11.613 ( 1.504 0.000 3.534) 3.841 11.617 ( -0.062 0.000 -9.786) 9.786 12.111 ( -1.340 0.000 -3.423) 3.676 12.134 ( 1.097 0.000 8.810) 8.878 12.244 ( -0.669 0.000 6.274) 6.310 12.367 ( 0.485 0.000 -0.220) 0.533 12.455 ( 4.992 0.000 -7.915) 9.358 13.169 ( 8.196 0.000 9.756) 12.742 13.324 ( 3.506 0.000 -3.956) 5.286 13.550 ( 11.312 0.000 5.605) 12.624 13.665 ( 1.745 0.000 1.169) 2.101 13.704 ( 1.879 0.000 1.812) 2.611 13.741 ( 1.272 0.000 2.598) 2.892 13.849 ( 1.187 0.000 0.591) 1.326 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -12.900 0.000 11.486) 17.273 0.739 ( -20.138 0.000 15.866) 25.637 1.314 ( -31.564 0.000 27.083) 41.590 1.764 ( 13.820 0.000 -0.468) 13.828 2.008 ( -4.795 0.000 5.549) 7.333 2.104 ( 0.116 0.000 -7.451) 7.452 2.279 ( -3.920 0.000 1.236) 4.110 2.288 ( 9.291 0.000 -6.850) 11.543 2.323 ( -3.270 0.000 2.093) 3.883 2.553 ( -2.619 0.000 -3.852) 4.658 2.636 ( 1.061 0.000 -12.212) 12.258 2.786 ( 6.666 0.000 -1.456) 6.823 2.840 ( -3.313 0.000 -6.436) 7.238 2.955 ( 4.613 0.000 -2.480) 5.237 3.000 ( 10.180 0.000 -8.118) 13.020 3.144 ( 0.711 0.000 -0.573) 0.913 3.191 ( 1.119 0.000 -4.167) 4.315 3.311 ( 0.104 0.000 -1.580) 1.583 3.362 ( -1.263 0.000 -2.832) 3.101 3.409 ( -0.936 0.000 2.333) 2.513 3.415 ( -0.126 0.000 -9.061) 9.062 3.605 ( 1.857 0.000 3.935) 4.351 3.798 ( -3.018 0.000 5.102) 5.928 3.800 ( 7.891 0.000 -5.062) 9.375 3.848 ( -0.840 0.000 0.449) 0.953 3.862 ( 0.781 0.000 1.150) 1.390 3.926 ( -3.559 0.000 1.227) 3.764 4.033 ( -0.355 0.000 -1.365) 1.410 4.097 ( 2.519 0.000 -3.819) 4.575 4.164 ( 3.924 0.000 3.224) 5.079 4.265 ( -1.601 0.000 8.930) 9.072 4.370 ( -0.633 0.000 1.220) 1.375 4.424 ( -1.757 0.000 12.737) 12.858 4.521 ( -2.807 0.000 -0.526) 2.856 4.559 ( -5.817 0.000 -8.138) 10.003 4.609 ( -5.860 0.000 5.130) 7.788 4.658 ( -6.344 0.000 1.291) 6.474 4.741 ( -4.482 0.000 -4.005) 6.010 4.795 ( 1.444 0.000 -0.417) 1.503 4.935 ( 2.446 0.000 0.937) 2.619 4.953 ( -4.529 0.000 -4.266) 6.222 5.015 ( -0.598 0.000 -4.042) 4.086 5.169 ( 3.874 0.000 4.419) 5.877 5.209 ( 1.180 0.000 1.535) 1.936 5.328 ( -4.693 0.000 -0.958) 4.790 5.342 ( -2.217 0.000 -0.264) 2.232 5.360 ( 0.666 0.000 1.422) 1.570 5.419 ( 1.872 0.000 -1.133) 2.188 5.525 ( -6.740 0.000 -4.481) 8.094 5.639 ( 0.467 0.000 2.004) 2.058 5.689 ( -5.251 0.000 -4.491) 6.910 5.789 ( -6.631 0.000 4.003) 7.746 5.871 ( -0.151 0.000 -0.308) 0.343 5.874 ( -7.042 0.000 1.170) 7.139 5.920 ( -0.941 0.000 -0.151) 0.953 5.950 ( -3.433 0.000 2.350) 4.160 6.095 ( -7.803 0.000 -1.398) 7.927 6.097 ( 0.858 0.000 -3.270) 3.381 6.213 ( -1.271 0.000 -7.407) 7.515 6.213 ( -1.934 0.000 -3.274) 3.803 6.508 ( -1.755 0.000 0.877) 1.962 6.561 ( -1.371 0.000 6.764) 6.902 6.711 ( -1.328 0.000 7.780) 7.893 6.893 ( -0.130 0.000 -1.114) 1.122 7.042 ( 2.943 0.000 1.618) 3.358 7.093 ( -2.017 0.000 2.618) 3.305 7.122 ( -6.542 0.000 -0.577) 6.567 7.253 ( -6.832 0.000 4.755) 8.323 7.306 ( -6.713 0.000 0.647) 6.744 7.446 ( -9.558 0.000 0.518) 9.572 7.632 ( -2.017 0.000 -4.923) 5.320 7.641 ( -7.592 0.000 5.251) 9.231 7.820 ( -3.523 0.000 -6.412) 7.316 7.995 ( -6.036 0.000 -7.000) 9.243 8.111 ( -5.022 0.000 0.255) 5.028 8.184 ( -1.544 0.000 4.863) 5.102 8.211 ( -1.434 0.000 0.767) 1.626 8.504 ( 0.255 0.000 3.943) 3.951 8.573 ( -11.640 0.000 -1.304) 11.713 8.692 ( -6.717 0.000 -4.737) 8.220 8.947 ( 0.084 0.000 -3.566) 3.567 8.989 ( -5.695 0.000 -12.610) 13.837 9.017 ( -1.217 0.000 0.853) 1.486 9.224 ( -2.466 0.000 -4.062) 4.752 9.234 ( 0.186 0.000 0.210) 0.280 9.238 ( 0.289 0.000 -2.164) 2.183 9.441 ( 2.026 0.000 -0.028) 2.026 9.452 ( 2.172 0.000 2.675) 3.446 9.639 ( 0.769 0.000 5.207) 5.264 9.644 ( -4.835 0.000 0.738) 4.891 9.708 ( 0.558 0.000 9.273) 9.290 9.773 ( 4.464 0.000 -1.935) 4.865 9.992 ( 3.214 0.000 3.509) 4.758 10.144 ( 1.847 0.000 0.620) 1.948 10.176 ( 0.503 0.000 3.952) 3.984 10.344 ( 3.831 0.000 0.028) 3.831 10.436 ( 6.303 0.000 5.801) 8.566 10.459 ( 1.000 0.000 -0.945) 1.376 10.567 ( 1.406 0.000 2.717) 3.059 10.637 ( 2.354 0.000 -0.111) 2.357 10.757 ( 1.746 0.000 -4.417) 4.750 10.875 ( 8.658 0.000 4.257) 9.648 10.997 ( 2.122 0.000 -14.815) 14.966 11.272 ( 6.146 0.000 -4.692) 7.732 11.357 ( 5.705 0.000 -6.433) 8.598 11.505 ( 3.656 0.000 -0.525) 3.694 11.570 ( -3.891 0.000 -7.924) 8.828 11.613 ( -1.301 0.000 2.462) 2.785 12.047 ( -6.592 0.000 6.730) 9.421 12.085 ( -0.874 0.000 -0.907) 1.259 12.315 ( 3.936 0.000 9.857) 10.614 12.391 ( 1.518 0.000 -1.206) 1.939 12.561 ( 5.244 0.000 -7.507) 9.157 13.307 ( 4.582 0.000 10.568) 11.518 13.375 ( 0.741 0.000 -5.536) 5.586 13.699 ( 1.430 0.000 1.161) 1.842 13.733 ( 3.014 0.000 -1.653) 3.437 13.761 ( 0.508 0.000 2.929) 2.973 13.824 ( 9.254 0.000 7.070) 11.646 13.888 ( 6.893 0.000 3.748) 7.846 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.882 18.332 11.711) 21.771 0.792 ( -2.537 19.368 19.041) 27.279 1.320 ( -0.868 32.565 22.122) 39.378 1.588 ( 1.025 -18.637 2.824) 18.877 1.703 ( 0.083 -20.819 6.618) 21.845 2.243 ( 5.538 0.550 -4.618) 7.232 2.342 ( -2.573 4.478 -8.445) 9.899 2.372 ( -1.203 2.359 0.006) 2.648 2.480 ( 3.523 15.217 -2.034) 15.751 2.580 ( -4.284 9.324 -2.826) 10.643 2.621 ( 1.253 -11.820 -10.274) 15.711 2.674 ( 0.157 1.863 -15.383) 15.496 2.832 ( -1.540 -12.593 3.434) 13.143 2.961 ( -1.739 0.584 -0.266) 1.853 3.028 ( 1.349 -2.816 -6.217) 6.957 3.078 ( -4.136 -4.597 -4.933) 7.910 3.221 ( 0.114 -3.587 3.619) 5.097 3.304 ( 4.014 2.250 0.031) 4.601 3.333 ( 0.248 -8.187 -1.486) 8.324 3.431 ( 6.095 4.069 -0.987) 7.395 3.442 ( -2.716 1.755 -0.147) 3.238 3.601 ( -3.754 -4.241 2.134) 6.053 3.657 ( -3.374 1.788 3.596) 5.246 3.726 ( 7.691 -3.967 1.078) 8.721 3.835 ( -2.890 -1.408 -2.669) 4.178 3.877 ( -6.398 4.013 -4.291) 8.686 3.901 ( 2.280 1.068 1.861) 3.131 4.055 ( -0.958 2.274 -2.346) 3.405 4.068 ( 1.342 2.316 -4.055) 4.859 4.176 ( -2.811 -4.702 2.420) 5.989 4.251 ( -4.147 -0.093 1.516) 4.417 4.285 ( 1.947 -4.366 -0.257) 4.787 4.371 ( -2.925 1.309 3.342) 4.630 4.468 ( 1.729 -1.412 11.196) 11.417 4.518 ( -2.022 1.390 -1.069) 2.676 4.614 ( -0.256 4.017 -1.168) 4.191 4.637 ( 2.322 -0.034 0.746) 2.439 4.695 ( 2.674 -2.530 1.011) 3.817 4.838 ( 0.007 1.837 -2.063) 2.762 4.895 ( 1.670 3.066 5.979) 6.924 4.980 ( -2.059 -2.915 -0.976) 3.699 5.004 ( 2.998 -4.026 1.874) 5.358 5.109 ( 0.864 -2.415 1.988) 3.246 5.171 ( -4.698 -1.974 3.919) 6.428 5.256 ( -0.351 0.100 -1.925) 1.959 5.380 ( 1.305 -4.569 -2.641) 5.437 5.395 ( 2.005 3.413 -2.059) 4.461 5.471 ( 0.918 4.643 -1.977) 5.129 5.585 ( 0.463 9.719 -3.032) 10.191 5.618 ( 0.807 1.637 -0.036) 1.826 5.688 ( -0.528 2.279 1.140) 2.602 5.736 ( -0.741 -0.088 0.039) 0.747 5.797 ( -1.345 2.355 0.827) 2.836 5.853 ( -0.660 0.460 0.810) 1.141 5.882 ( -0.171 0.218 0.880) 0.923 5.975 ( 0.052 2.198 0.145) 2.203 6.080 ( 0.441 -2.961 -2.880) 4.154 6.125 ( -0.717 0.314 -6.705) 6.750 6.191 ( 1.092 -1.070 -7.426) 7.582 6.206 ( -1.065 0.060 -5.818) 5.915 6.527 ( 0.535 0.271 5.324) 5.357 6.576 ( -2.217 -2.859 7.852) 8.645 6.656 ( 2.015 4.273 0.075) 4.725 6.923 ( -0.827 1.528 -3.849) 4.223 6.967 ( 1.221 -3.902 2.167) 4.627 7.056 ( 0.481 -0.115 0.882) 1.011 7.104 ( -0.637 -0.846 0.575) 1.205 7.179 ( 8.311 -3.850 -1.868) 9.348 7.355 ( 1.929 4.559 0.296) 4.960 7.385 ( 2.213 1.897 1.460) 3.260 7.463 ( -2.647 -2.284 2.937) 4.566 7.570 ( 1.400 -5.369 -2.239) 5.983 7.765 ( -4.535 2.674 -1.071) 5.373 7.965 ( -0.519 -0.619 -0.373) 0.890 8.085 ( 1.376 1.754 2.160) 3.104 8.148 ( 0.748 -2.106 5.527) 5.962 8.241 ( -0.052 5.090 -0.704) 5.139 8.388 ( 0.320 1.312 5.477) 5.641 8.521 ( 2.098 -1.829 1.473) 3.149 8.619 ( -4.016 1.418 -4.417) 6.136 8.743 ( -2.108 -2.966 -1.966) 4.135 8.826 ( -1.463 -8.106 -4.190) 9.241 9.074 ( -1.547 1.712 -5.524) 5.987 9.190 ( -0.104 -2.692 -3.450) 4.378 9.247 ( 2.422 1.867 -0.559) 3.109 9.280 ( -0.272 2.372 -0.628) 2.469 9.465 ( 0.340 2.079 1.190) 2.420 9.540 ( 0.961 3.203 2.220) 4.014 9.603 ( -0.973 -2.633 0.385) 2.833 9.645 ( 2.445 -1.167 8.462) 8.885 9.749 ( -0.054 5.360 6.883) 8.724 9.875 ( 1.056 2.818 -1.799) 3.506 10.017 ( 0.582 -2.863 7.840) 8.367 10.071 ( -1.321 -6.058 3.739) 7.241 10.164 ( -0.047 1.424 -1.083) 1.790 10.360 ( -2.989 1.011 5.940) 6.727 10.398 ( -0.630 -1.648 1.564) 2.357 10.461 ( -1.553 -2.652 -1.174) 3.290 10.575 ( 0.250 -3.835 0.156) 3.846 10.646 ( 0.752 -1.879 0.778) 2.168 10.790 ( 1.512 1.491 -4.246) 4.747 10.836 ( 2.235 0.833 -1.282) 2.708 11.157 ( 2.751 -4.797 -10.537) 11.900 11.237 ( 3.154 -8.494 -7.760) 11.930 11.487 ( -4.435 3.933 -5.582) 8.142 11.550 ( -1.514 0.223 -1.159) 1.920 11.594 ( -0.940 1.885 -3.896) 4.429 11.663 ( 5.605 -1.521 -1.742) 6.064 12.089 ( 4.097 8.514 0.423) 9.458 12.162 ( 2.600 4.147 -0.842) 4.967 12.382 ( 0.725 0.602 3.859) 3.972 12.439 ( 0.197 -0.728 1.577) 1.748 12.605 ( 0.219 4.044 5.466) 6.803 13.071 ( -3.754 -10.600 2.224) 11.463 13.541 ( -1.694 6.077 0.248) 6.314 13.686 ( -0.321 -3.137 2.405) 3.966 13.741 ( 0.500 0.730 1.678) 1.897 13.785 ( 0.635 -0.225 1.372) 1.528 13.900 ( -2.762 5.149 -1.862) 6.133 14.056 ( -3.759 -1.991 -1.947) 4.678 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 8.479 18.984 7.392) 22.067 0.893 ( 16.543 12.993 12.541) 24.491 1.530 ( 13.299 8.848 9.385) 18.527 1.657 ( -3.725 -17.361 8.060) 19.500 1.729 ( 13.416 -3.885 6.855) 15.559 2.265 ( -7.972 1.325 -1.118) 8.158 2.309 ( -3.898 2.398 -1.180) 4.727 2.341 ( 4.754 4.439 -4.095) 7.686 2.507 ( -1.460 10.074 -3.819) 10.872 2.541 ( 0.575 7.024 -4.436) 8.327 2.614 ( -2.822 3.764 -11.655) 12.568 2.667 ( -0.199 -1.435 -7.982) 8.112 2.777 ( -2.101 -6.180 -6.267) 9.048 2.905 ( -2.392 -2.115 3.067) 4.427 2.994 ( -2.296 -6.989 -4.025) 8.386 3.107 ( 0.855 -7.602 -3.158) 8.276 3.200 ( 3.039 0.472 -3.761) 4.858 3.303 ( -3.532 3.212 -1.139) 4.908 3.357 ( 0.761 -5.446 -0.324) 5.509 3.426 ( 1.407 -2.249 8.346) 8.758 3.481 ( -3.759 -3.649 -2.300) 5.721 3.573 ( 5.142 3.094 1.992) 6.323 3.664 ( -2.449 -0.585 -3.398) 4.229 3.703 ( -3.509 -0.916 -2.035) 4.158 3.804 ( -4.775 3.845 1.347) 6.277 3.854 ( -1.645 -3.276 1.174) 3.849 3.940 ( 4.149 -2.443 0.854) 4.890 4.001 ( -6.287 2.216 -0.504) 6.685 4.051 ( 3.122 -4.101 -0.872) 5.227 4.162 ( 4.133 1.837 -1.930) 4.918 4.227 ( 0.499 -3.813 1.497) 4.126 4.310 ( -0.416 -3.398 2.629) 4.316 4.348 ( 0.673 2.272 5.272) 5.780 4.481 ( -1.018 -2.586 1.242) 3.044 4.550 ( 3.558 1.937 0.387) 4.070 4.630 ( 2.928 4.069 0.476) 5.035 4.721 ( 4.858 1.281 1.897) 5.370 4.769 ( 1.099 2.202 -0.486) 2.508 4.831 ( 2.986 0.637 -1.829) 3.559 4.943 ( -2.594 -2.258 4.564) 5.715 5.007 ( 3.704 -3.546 0.830) 5.195 5.026 ( 2.019 0.388 -0.586) 2.138 5.067 ( -0.770 -1.463 5.771) 6.004 5.207 ( 2.862 -5.577 0.563) 6.294 5.276 ( 2.766 1.998 -2.938) 4.503 5.386 ( -2.269 3.019 -2.105) 4.324 5.425 ( -0.797 1.286 -0.385) 1.561 5.489 ( 4.228 2.290 -0.751) 4.866 5.615 ( 0.614 3.409 -1.415) 3.742 5.681 ( 0.679 2.974 1.340) 3.332 5.693 ( 7.083 1.340 -1.238) 7.315 5.723 ( -1.027 0.298 0.058) 1.071 5.787 ( 0.873 2.996 -3.002) 4.330 5.866 ( 2.477 0.048 -0.673) 2.567 5.922 ( 2.808 1.659 -0.370) 3.282 5.983 ( 0.525 1.647 -0.059) 1.729 6.076 ( -0.799 -3.104 -0.605) 3.261 6.163 ( 5.112 -1.905 -5.055) 7.437 6.195 ( 5.653 1.032 -3.291) 6.622 6.274 ( 5.789 -2.054 -6.227) 8.747 6.527 ( 0.820 3.452 2.111) 4.128 6.591 ( 3.639 -1.761 9.186) 10.036 6.725 ( 4.488 0.942 3.749) 5.923 6.884 ( -1.592 -2.782 -3.639) 4.850 7.028 ( 2.531 -0.122 2.937) 3.879 7.163 ( 7.394 0.645 1.634) 7.600 7.183 ( 7.391 -2.866 -1.149) 8.010 7.296 ( 5.422 -2.151 -1.412) 6.001 7.429 ( 1.448 1.490 5.655) 6.024 7.461 ( 4.034 -0.023 5.130) 6.526 7.519 ( 9.244 4.247 -2.247) 10.418 7.689 ( 9.229 -4.360 -1.727) 10.352 7.788 ( 6.445 2.082 -4.748) 8.271 7.996 ( 2.335 -2.544 1.462) 3.750 8.108 ( 1.560 1.162 2.318) 3.026 8.168 ( 1.639 -0.022 3.043) 3.457 8.274 ( 0.413 6.072 -3.078) 6.820 8.467 ( 4.424 -2.697 1.794) 5.483 8.546 ( 0.715 0.651 -0.239) 0.996 8.664 ( 9.492 -8.516 -4.221) 13.432 8.753 ( 3.682 -0.979 -2.066) 4.334 8.839 ( 2.053 -6.895 -3.654) 8.069 9.046 ( -0.838 2.123 -5.145) 5.628 9.192 ( 0.487 -2.462 -5.163) 5.741 9.263 ( -1.424 3.258 -0.582) 3.602 9.317 ( 4.010 1.552 0.952) 4.404 9.449 ( -1.808 1.245 0.943) 2.389 9.551 ( -0.774 0.844 -1.328) 1.754 9.585 ( -0.119 -2.174 5.411) 5.832 9.706 ( 2.751 -0.370 7.435) 7.936 9.744 ( -0.720 5.952 4.602) 7.558 9.881 ( 0.190 2.060 -1.925) 2.826 9.988 ( -3.428 -0.593 6.273) 7.173 10.035 ( -2.118 -4.858 4.053) 6.672 10.147 ( -1.177 0.171 0.873) 1.475 10.265 ( -5.174 3.564 5.634) 8.439 10.378 ( -2.007 -0.372 0.281) 2.060 10.423 ( -2.038 -3.313 -3.480) 5.219 10.549 ( -2.617 -3.923 -1.331) 4.901 10.645 ( -0.876 -2.441 2.125) 3.353 10.782 ( -2.121 0.241 -2.971) 3.658 10.853 ( -1.119 -0.833 -2.059) 2.487 11.135 ( -3.503 1.042 -11.394) 11.966 11.257 ( -2.319 -4.816 -5.926) 7.980 11.406 ( -2.914 -2.646 1.274) 4.138 11.488 ( -4.476 -1.613 -4.059) 6.254 11.541 ( -3.697 4.175 -3.244) 6.452 11.742 ( 2.349 -6.088 -3.112) 7.229 12.141 ( 0.373 9.680 -2.880) 10.106 12.263 ( 3.618 -1.222 1.683) 4.173 12.395 ( -0.848 -3.220 3.072) 4.530 12.419 ( -0.152 -1.709 4.779) 5.078 12.599 ( 0.191 5.301 6.409) 8.319 12.949 ( -6.992 -4.022 -3.520) 8.801 13.417 ( -11.078 11.640 2.319) 16.236 13.644 ( -4.230 -3.249 3.389) 6.320 13.742 ( -0.446 1.100 2.074) 2.390 13.774 ( -3.970 3.141 -0.612) 5.099 13.805 ( -1.852 0.561 1.574) 2.494 13.858 ( -9.529 1.095 0.564) 9.608 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 18.414 8.234 -4.219) 20.608 1.309 ( 20.942 8.220 7.228) 23.630 1.515 ( -6.716 -9.259 5.000) 12.484 1.779 ( 7.298 -4.651 -0.814) 8.692 1.985 ( -13.564 -0.182 4.065) 14.162 2.029 ( 7.132 5.470 -1.829) 9.172 2.164 ( -8.356 -5.182 2.160) 10.067 2.431 ( 0.527 2.185 -1.495) 2.699 2.518 ( 6.080 6.354 -5.838) 10.555 2.534 ( -0.181 4.742 -10.232) 11.279 2.623 ( 6.131 5.801 -1.309) 8.541 2.672 ( -0.763 6.488 0.239) 6.537 2.776 ( 0.644 -2.518 -9.371) 9.725 2.869 ( 0.209 2.249 -0.430) 2.300 2.963 ( -0.498 -4.580 -2.363) 5.177 3.081 ( -2.603 1.060 -0.920) 2.957 3.171 ( -4.149 -3.596 1.310) 5.644 3.279 ( -8.247 -1.487 1.027) 8.443 3.349 ( 1.135 -0.815 -2.777) 3.109 3.408 ( -2.312 -2.931 2.768) 4.647 3.454 ( -4.413 0.276 -0.454) 4.445 3.567 ( -3.141 -3.440 -3.971) 6.121 3.626 ( -2.472 -0.306 -0.927) 2.657 3.663 ( 2.429 2.950 5.163) 6.423 3.690 ( 0.121 -4.554 -2.200) 5.059 3.837 ( 0.281 -2.900 5.305) 6.052 3.953 ( 0.075 -1.081 3.287) 3.461 4.005 ( 1.965 -4.379 0.497) 4.825 4.109 ( -0.282 -3.326 3.148) 4.588 4.160 ( -3.362 -3.534 1.772) 5.190 4.268 ( -1.360 -0.275 -0.592) 1.509 4.318 ( 4.699 -1.556 -0.871) 5.026 4.394 ( 3.170 1.180 3.092) 4.583 4.445 ( -2.360 0.108 -2.039) 3.121 4.569 ( -1.779 2.701 3.236) 4.575 4.728 ( -2.604 0.295 2.848) 3.870 4.753 ( 6.263 2.127 -0.927) 6.679 4.774 ( -2.980 0.620 -2.377) 3.862 4.864 ( 5.353 -0.403 -1.383) 5.543 4.977 ( 4.994 0.971 -2.442) 5.643 5.050 ( 2.105 1.877 -0.652) 2.895 5.079 ( 4.083 -0.106 3.672) 5.492 5.124 ( 2.478 -1.435 1.483) 3.225 5.237 ( 1.139 -3.449 -0.415) 3.656 5.294 ( -3.580 5.014 0.965) 6.236 5.367 ( 4.625 0.987 -0.566) 4.763 5.467 ( 1.258 -1.857 -0.876) 2.408 5.522 ( 0.924 -4.010 1.770) 4.480 5.631 ( 0.982 3.811 0.254) 3.944 5.714 ( 1.156 1.011 -0.539) 1.628 5.755 ( 5.699 3.869 -2.505) 7.330 5.830 ( 4.229 2.854 -5.507) 7.507 5.832 ( 3.175 1.060 -3.767) 5.040 5.951 ( 5.630 -1.458 -0.240) 5.820 5.990 ( 2.922 3.666 -0.204) 4.692 6.017 ( 3.777 -2.519 2.818) 5.343 6.067 ( 0.962 -0.607 -0.141) 1.146 6.297 ( 7.004 -3.689 -6.093) 9.990 6.369 ( 8.719 0.953 -3.222) 9.344 6.459 ( 11.685 -1.100 -0.058) 11.736 6.566 ( 2.551 4.656 0.878) 5.381 6.720 ( 7.977 -1.638 8.611) 11.852 6.834 ( 6.347 -0.118 5.737) 8.557 6.884 ( 2.366 -2.709 -2.372) 4.309 7.076 ( 3.177 1.132 4.649) 5.744 7.281 ( 3.876 -1.506 2.499) 4.851 7.342 ( 7.116 -3.266 -2.162) 8.123 7.449 ( 5.558 1.556 6.933) 9.021 7.478 ( 7.479 1.838 1.167) 7.790 7.591 ( 8.544 -0.956 5.936) 10.448 7.726 ( 10.206 5.892 -3.678) 12.346 7.896 ( 9.929 -2.527 -3.570) 10.850 7.948 ( 8.455 0.669 -0.999) 8.540 8.029 ( 1.197 -2.386 3.654) 4.526 8.145 ( 2.011 1.568 2.228) 3.386 8.251 ( 4.129 0.108 1.295) 4.328 8.306 ( 6.281 7.115 -4.594) 10.544 8.525 ( 1.944 -3.412 -1.070) 4.070 8.591 ( 3.755 1.525 -1.474) 4.312 8.785 ( 2.422 -6.881 -3.889) 8.266 8.877 ( 3.015 -4.505 -3.860) 6.655 8.955 ( 11.439 -5.410 -3.497) 13.129 9.056 ( 2.705 2.127 -1.906) 3.933 9.187 ( -1.757 -2.420 -4.492) 5.396 9.231 ( -1.228 4.314 1.628) 4.772 9.391 ( 0.998 6.952 0.057) 7.024 9.403 ( -0.716 -3.262 1.778) 3.783 9.482 ( -5.115 -2.031 0.539) 5.530 9.601 ( -1.577 -3.092 8.576) 9.252 9.684 ( -1.825 6.615 -2.708) 7.377 9.790 ( 3.217 -1.138 4.948) 6.011 9.862 ( -3.595 2.601 -2.966) 5.337 9.934 ( 0.017 -1.587 4.799) 5.055 9.999 ( -1.096 -3.648 5.663) 6.825 10.106 ( -3.311 0.801 3.449) 4.848 10.185 ( -1.821 4.625 3.077) 5.846 10.322 ( -3.550 -0.588 0.795) 3.685 10.383 ( -1.329 -1.345 -6.449) 6.721 10.479 ( -3.986 -1.500 -1.858) 4.646 10.612 ( -2.378 -2.605 1.708) 3.919 10.699 ( -5.997 -0.457 -0.729) 6.058 10.798 ( -3.844 -3.363 -5.804) 7.731 11.024 ( -6.671 7.913 -8.443) 13.357 11.189 ( -3.556 -3.010 -3.290) 5.703 11.337 ( -4.236 -5.091 1.157) 6.723 11.375 ( -6.096 -4.113 -5.564) 9.221 11.443 ( -5.858 6.028 -1.689) 8.574 11.775 ( 0.701 -8.275 -4.163) 9.289 12.112 ( -3.629 10.084 -0.332) 10.722 12.246 ( -4.519 -2.301 6.739) 8.434 12.298 ( -3.740 -2.890 7.525) 8.886 12.463 ( 0.731 -4.179 2.357) 4.853 12.656 ( 4.385 3.213 -0.657) 5.475 12.840 ( -3.132 -1.281 -5.479) 6.440 13.166 ( -11.595 13.020 2.797) 17.657 13.508 ( -8.855 -4.129 1.406) 9.871 13.697 ( -2.633 1.161 1.195) 3.116 13.720 ( -3.957 0.531 0.270) 4.002 13.735 ( -0.706 1.832 1.280) 2.344 13.800 ( -0.054 -0.761 0.518) 0.923 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -8.405 4.665 1.089) 9.675 1.438 ( 19.970 -0.098 -11.319) 22.955 1.620 ( -12.733 -2.267 1.508) 13.021 1.680 ( -4.101 -3.196 -2.075) 5.598 1.847 ( 12.934 4.868 4.768) 14.619 2.114 ( 6.183 2.535 -7.006) 9.682 2.224 ( 5.950 -4.652 -3.716) 8.418 2.403 ( -2.113 -4.440 -4.539) 6.692 2.508 ( 0.664 3.810 -8.676) 9.499 2.595 ( -3.163 1.160 0.271) 3.380 2.671 ( 5.222 3.306 -0.154) 6.182 2.781 ( 1.716 -1.936 -1.104) 2.813 2.824 ( -1.303 6.012 -4.181) 7.438 2.850 ( -1.599 -3.053 3.732) 5.079 2.942 ( -5.493 2.841 2.735) 6.762 2.971 ( -0.054 -0.393 -0.231) 0.459 3.073 ( -5.400 0.750 -1.726) 5.719 3.168 ( -2.152 8.800 3.781) 9.816 3.243 ( -6.225 -0.660 3.131) 6.999 3.297 ( -6.994 0.607 -2.566) 7.475 3.402 ( 0.817 5.000 0.072) 5.067 3.506 ( -3.297 -1.662 3.583) 5.145 3.662 ( 2.139 -1.577 -2.766) 3.835 3.690 ( -2.166 -5.070 4.565) 7.158 3.747 ( 3.791 -8.892 -1.518) 9.785 3.858 ( -1.464 -2.141 1.376) 2.936 3.939 ( -3.934 -5.440 1.201) 6.820 3.970 ( 2.655 -2.138 4.414) 5.578 4.088 ( -0.249 3.019 2.250) 3.774 4.180 ( -4.210 3.203 2.018) 5.662 4.223 ( 7.026 -6.250 5.185) 10.739 4.368 ( 0.187 1.936 -6.380) 6.669 4.395 ( -3.677 6.027 1.382) 7.195 4.442 ( 1.988 -1.783 -1.413) 3.021 4.560 ( 1.462 -2.550 6.902) 7.502 4.678 ( 0.174 -3.018 -1.926) 3.585 4.714 ( -1.593 -3.859 -3.400) 5.384 4.884 ( 1.946 0.573 -3.237) 3.821 4.964 ( 4.030 1.775 0.124) 4.405 5.042 ( 2.781 3.049 1.846) 4.521 5.100 ( 0.901 -0.462 1.573) 1.870 5.156 ( 2.474 -0.257 -1.909) 3.136 5.193 ( 4.072 1.390 -2.030) 4.758 5.248 ( 0.065 -0.237 0.534) 0.588 5.282 ( 2.516 -0.764 2.115) 3.375 5.404 ( -1.210 2.304 0.152) 2.607 5.468 ( 1.331 -3.175 2.101) 4.033 5.561 ( 1.331 -2.734 1.791) 3.529 5.692 ( 3.863 3.520 -2.163) 5.656 5.740 ( 1.871 2.161 0.922) 3.003 5.816 ( 1.105 4.175 -2.676) 5.080 5.896 ( 2.386 -0.281 -4.199) 4.838 5.903 ( 2.599 0.433 -4.131) 4.900 6.010 ( 1.201 -2.389 -0.218) 2.683 6.059 ( 2.580 1.049 2.471) 3.723 6.091 ( 3.603 -0.375 2.132) 4.203 6.151 ( 5.404 2.166 -1.508) 6.014 6.396 ( 2.971 -5.241 -8.217) 10.189 6.549 ( 7.091 3.318 -0.106) 7.829 6.623 ( 3.589 2.063 0.330) 4.153 6.647 ( 6.391 0.950 -0.333) 6.470 6.830 ( 2.536 -3.566 7.399) 8.596 6.961 ( 4.043 -0.150 5.594) 6.904 7.024 ( 9.097 -1.129 3.199) 9.709 7.194 ( 8.252 1.481 4.297) 9.421 7.351 ( 4.084 -2.934 -0.238) 5.035 7.452 ( 5.151 3.341 4.208) 7.443 7.566 ( 5.551 1.601 3.349) 6.678 7.659 ( 7.870 -1.839 -0.796) 8.121 7.769 ( 7.357 -1.878 3.184) 8.233 7.903 ( 7.397 3.464 -3.331) 8.821 8.053 ( 5.474 -0.171 -2.130) 5.877 8.070 ( 3.655 -2.411 1.808) 4.737 8.113 ( 6.707 -1.579 2.816) 7.443 8.226 ( 6.820 2.873 2.191) 7.718 8.354 ( 7.132 1.484 0.590) 7.308 8.480 ( 7.750 2.651 -1.706) 8.367 8.569 ( 2.897 -0.380 -2.346) 3.747 8.672 ( 3.825 1.605 -3.047) 5.147 8.821 ( 1.609 -4.522 -1.993) 5.197 8.908 ( 1.086 -1.003 -5.738) 5.925 9.076 ( -0.748 -0.140 0.355) 0.840 9.126 ( -2.389 -0.998 -1.471) 2.978 9.197 ( 3.832 -2.293 0.445) 4.487 9.214 ( 1.172 -3.336 -0.547) 3.578 9.342 ( -4.557 -3.806 -0.661) 5.974 9.383 ( 1.567 4.287 3.025) 5.476 9.439 ( -0.958 2.535 0.974) 2.879 9.492 ( -5.017 4.426 4.708) 8.181 9.648 ( -6.746 0.058 1.008) 6.821 9.754 ( 0.181 -0.279 -1.605) 1.639 9.895 ( 2.415 3.320 1.952) 4.546 9.930 ( -1.616 -3.874 0.525) 4.230 9.996 ( 1.493 -3.690 2.012) 4.460 10.077 ( 1.322 0.785 6.749) 6.922 10.178 ( 0.403 5.217 2.151) 5.658 10.240 ( -4.077 -0.090 0.410) 4.099 10.365 ( -1.808 -1.181 -5.133) 5.568 10.410 ( -1.352 3.268 -3.963) 5.312 10.543 ( -6.580 -1.383 1.007) 6.799 10.568 ( -3.309 -2.386 -1.104) 4.226 10.702 ( -5.084 -2.472 -7.544) 9.427 10.892 ( -5.306 7.675 -4.489) 10.354 11.107 ( -4.926 2.217 -1.946) 5.742 11.226 ( -6.156 -5.802 -5.536) 10.110 11.272 ( -3.605 -3.079 -0.840) 4.814 11.323 ( -4.946 2.245 -0.635) 5.469 11.742 ( -4.649 -12.472 -2.454) 13.535 12.007 ( -4.571 7.119 2.783) 8.906 12.163 ( -2.764 2.429 0.736) 3.753 12.275 ( 0.131 -3.292 4.931) 5.930 12.444 ( -2.382 -6.408 2.215) 7.186 12.716 ( 0.799 2.937 -0.653) 3.113 12.800 ( -2.054 0.399 5.664) 6.039 13.010 ( -2.290 10.065 -5.848) 11.864 13.326 ( -8.001 -4.251 -1.476) 9.180 13.652 ( -1.804 0.866 1.127) 2.296 13.673 ( -1.223 -0.165 0.541) 1.348 13.723 ( -0.513 2.094 1.417) 2.580 13.798 ( -0.195 -0.983 0.415) 1.085 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -1.348 4.321 -3.350) 5.632 1.374 ( -8.693 -1.410 -1.848) 8.998 1.554 ( -3.121 3.427 -4.113) 6.197 1.835 ( 15.937 -6.913 -14.313) 22.508 2.167 ( 7.616 5.961 0.683) 9.695 2.205 ( 2.838 0.991 -4.705) 5.583 2.284 ( -1.660 -4.162 -1.709) 4.796 2.381 ( 4.393 -1.412 -2.982) 5.494 2.475 ( -8.663 -1.275 -1.359) 8.862 2.574 ( 0.081 -2.445 -1.837) 3.059 2.614 ( 3.726 -3.448 -2.030) 5.468 2.752 ( 0.565 0.256 -1.965) 2.061 2.769 ( -7.464 3.604 -1.664) 8.454 2.885 ( -3.477 2.005 0.685) 4.072 2.909 ( 1.023 2.842 3.862) 4.903 2.978 ( 0.902 -0.189 2.538) 2.701 3.007 ( 5.532 0.855 2.025) 5.953 3.090 ( -5.831 7.006 0.989) 9.168 3.161 ( -1.700 7.491 -3.400) 8.400 3.203 ( -2.655 -1.495 2.235) 3.779 3.419 ( -0.175 0.983 3.818) 3.946 3.461 ( -7.126 -1.997 6.325) 9.735 3.560 ( -1.203 -1.612 -2.142) 2.938 3.676 ( 0.443 -1.728 0.158) 1.791 3.803 ( -0.712 -4.551 -1.561) 4.864 3.848 ( 1.015 7.042 1.989) 7.387 3.887 ( -1.660 -10.118 -0.600) 10.270 3.967 ( -5.220 3.610 4.538) 7.803 4.095 ( 4.389 -1.725 2.819) 5.494 4.201 ( -0.543 -0.531 2.744) 2.847 4.267 ( -5.106 1.008 6.149) 8.056 4.386 ( 5.738 1.040 -6.682) 8.869 4.417 ( 6.272 -0.555 -1.469) 6.465 4.493 ( 2.366 -3.737 -0.226) 4.429 4.601 ( 3.152 -0.155 3.265) 4.541 4.680 ( 0.856 -4.514 -1.743) 4.915 4.761 ( 4.255 -4.398 0.959) 6.195 4.847 ( -2.774 -2.427 0.165) 3.690 5.010 ( -0.237 2.023 1.665) 2.631 5.060 ( -6.752 -0.028 -0.269) 6.758 5.114 ( 0.563 -1.776 0.751) 2.008 5.118 ( 2.687 5.872 -1.953) 6.747 5.256 ( 0.657 1.855 -1.744) 2.629 5.282 ( 1.474 0.222 0.817) 1.700 5.334 ( 2.113 -0.953 4.243) 4.835 5.418 ( 1.907 3.654 -1.744) 4.475 5.477 ( -0.304 -3.095 1.751) 3.569 5.581 ( 0.267 -3.566 1.150) 3.756 5.726 ( 0.446 3.132 -1.361) 3.444 5.806 ( 2.922 1.807 -1.274) 3.664 5.830 ( 0.420 2.713 -1.912) 3.345 5.906 ( -0.690 -1.252 -1.980) 2.442 5.940 ( 1.057 -0.285 -2.424) 2.660 6.016 ( -0.615 -3.216 -2.500) 4.120 6.083 ( -0.015 3.815 2.671) 4.657 6.156 ( 2.324 1.248 1.192) 2.895 6.238 ( 3.094 0.442 -0.299) 3.140 6.419 ( -0.186 -4.493 -8.154) 9.311 6.622 ( 1.379 4.029 0.224) 4.265 6.679 ( 1.210 2.396 1.507) 3.078 6.760 ( 3.670 0.366 -1.337) 3.923 6.855 ( -0.148 -2.749 5.609) 6.248 6.998 ( -0.493 -0.119 3.916) 3.949 7.111 ( 0.142 -3.772 9.095) 9.848 7.334 ( 3.147 3.809 2.228) 5.420 7.450 ( 4.254 -0.094 -2.985) 5.198 7.560 ( 1.983 -0.036 -1.122) 2.279 7.629 ( 0.938 0.513 3.846) 3.992 7.736 ( 1.370 2.482 -0.982) 3.000 7.915 ( 6.786 -1.674 4.582) 8.358 8.014 ( 3.105 -1.591 1.110) 3.661 8.118 ( 0.313 -2.382 -1.565) 2.867 8.162 ( 4.354 -2.129 1.004) 4.949 8.225 ( 3.869 -2.458 2.748) 5.344 8.413 ( 10.010 2.455 0.183) 10.308 8.486 ( 4.447 3.498 -0.385) 5.671 8.599 ( 1.186 3.572 -2.199) 4.359 8.614 ( 3.797 -1.780 -0.692) 4.250 8.739 ( 2.816 1.842 -3.479) 4.840 8.812 ( -5.239 -2.499 -0.204) 5.808 8.953 ( 4.250 -0.093 -0.772) 4.320 9.032 ( -3.985 -1.570 1.437) 4.518 9.057 ( 1.264 1.792 -1.180) 2.490 9.147 ( -3.449 -2.641 3.684) 5.696 9.227 ( -2.142 -2.372 3.025) 4.400 9.263 ( -3.656 -0.531 -1.165) 3.873 9.371 ( 0.250 2.292 3.198) 3.942 9.438 ( -3.544 4.796 0.617) 5.995 9.501 ( -4.929 1.805 0.164) 5.252 9.560 ( 8.512 -2.939 -3.471) 9.650 9.770 ( 0.265 -2.421 -1.735) 2.990 9.875 ( -1.422 -0.325 0.444) 1.524 9.932 ( -0.082 -3.013 0.269) 3.026 10.034 ( 0.178 -1.040 -0.703) 1.268 10.063 ( -4.744 -0.217 3.623) 5.973 10.176 ( -0.722 0.205 3.504) 3.583 10.214 ( 1.472 7.566 -0.240) 7.712 10.312 ( -1.155 3.013 -3.800) 4.986 10.407 ( 0.747 2.773 -5.645) 6.333 10.424 ( -3.033 -2.429 1.512) 4.170 10.560 ( 0.474 0.396 0.345) 0.708 10.635 ( 0.713 0.873 -5.159) 5.281 10.826 ( -0.977 3.904 -4.331) 5.912 10.989 ( -5.353 5.264 1.078) 7.584 11.114 ( -4.705 -6.159 -8.096) 11.208 11.232 ( -0.096 0.798 -1.168) 1.418 11.265 ( -0.812 -5.185 0.128) 5.250 11.610 ( -6.218 -11.486 -1.294) 13.125 11.969 ( 0.205 4.230 0.003) 4.235 12.124 ( -1.275 1.963 -0.595) 2.415 12.284 ( 0.276 -4.746 3.271) 5.771 12.383 ( -3.010 -5.622 1.905) 6.655 12.680 ( -3.489 7.115 4.047) 8.897 12.778 ( 0.387 1.160 4.694) 4.851 13.048 ( 4.492 3.592 -6.403) 8.607 13.213 ( -2.621 -2.878 -2.377) 4.561 13.627 ( -0.667 0.975 1.093) 1.609 13.660 ( -0.176 -0.564 0.652) 0.880 13.717 ( -0.085 2.183 1.414) 2.602 13.795 ( -0.025 -1.061 0.370) 1.124 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 6.903 0.077 -0.599) 6.929 1.326 ( 6.121 -2.547 -4.538) 8.034 1.528 ( 0.309 7.470 -4.232) 8.591 1.852 ( -13.095 -5.300 -12.501) 18.864 2.085 ( -11.399 1.117 1.392) 11.538 2.147 ( -6.374 -1.102 -7.005) 9.535 2.369 ( 12.418 -0.586 -3.092) 12.811 2.486 ( 0.066 0.916 -2.904) 3.046 2.516 ( 1.356 -1.399 0.586) 2.035 2.571 ( 2.799 -2.199 0.371) 3.579 2.643 ( 1.250 -7.580 1.317) 7.794 2.674 ( 2.372 -1.242 -1.672) 3.157 2.797 ( -0.844 5.515 -2.333) 6.047 2.864 ( 3.607 7.744 -1.994) 8.773 2.895 ( -3.092 4.239 -1.097) 5.360 2.952 ( 0.921 0.304 1.736) 1.988 2.988 ( -4.315 3.285 1.825) 5.722 3.104 ( 1.436 1.112 2.952) 3.466 3.240 ( 6.078 5.045 -2.364) 8.245 3.264 ( 5.772 -1.854 3.522) 7.011 3.323 ( 3.685 4.595 5.691) 8.190 3.416 ( -0.577 -1.923 -0.115) 2.011 3.572 ( -4.493 7.713 2.754) 9.341 3.639 ( 0.886 -6.434 2.317) 6.896 3.764 ( -3.961 -10.655 -4.526) 12.236 3.795 ( 0.053 1.459 -1.970) 2.452 3.916 ( 0.465 -2.807 2.225) 3.612 4.019 ( 4.700 2.036 3.670) 6.301 4.042 ( -4.416 -2.876 1.286) 5.425 4.145 ( -1.530 -2.816 -1.703) 3.629 4.173 ( -6.294 2.000 3.881) 7.660 4.404 ( -3.085 -0.706 -2.676) 4.145 4.485 ( -2.833 -5.072 4.114) 7.119 4.601 ( 6.720 -1.871 0.690) 7.010 4.662 ( -1.270 -0.648 3.088) 3.401 4.735 ( 4.620 -4.027 0.476) 6.147 4.825 ( 5.302 -3.222 1.447) 6.371 4.856 ( 0.634 3.948 3.148) 5.089 4.943 ( -0.165 2.653 -3.219) 4.175 5.027 ( 1.403 -1.484 0.092) 2.044 5.111 ( -1.429 -0.540 -0.361) 1.569 5.142 ( -1.059 5.120 -0.884) 5.302 5.250 ( -0.200 2.736 -2.087) 3.447 5.281 ( -1.446 -1.791 0.301) 2.321 5.359 ( 0.069 0.408 4.686) 4.704 5.416 ( -1.766 2.607 2.447) 3.988 5.482 ( 0.404 -0.586 -2.154) 2.269 5.555 ( -3.022 -3.045 1.351) 4.497 5.720 ( -1.043 1.983 -2.018) 3.016 5.823 ( -0.130 0.530 -4.305) 4.340 5.831 ( -1.272 0.049 0.985) 1.609 5.879 ( -1.734 -2.045 -2.727) 3.824 5.944 ( -0.843 0.244 -0.235) 0.909 6.004 ( 0.054 -2.331 -2.746) 3.602 6.062 ( -1.961 6.193 2.088) 6.823 6.172 ( -0.929 1.933 0.147) 2.149 6.284 ( 1.450 -0.944 1.680) 2.412 6.393 ( -2.227 -4.177 -7.613) 8.964 6.627 ( -1.060 3.831 0.420) 3.997 6.669 ( -2.246 2.736 0.251) 3.548 6.757 ( -4.166 0.278 -2.911) 5.090 6.830 ( -2.323 -2.092 5.715) 6.514 6.948 ( -4.309 -0.311 1.646) 4.623 7.084 ( -2.562 -4.895 10.124) 11.534 7.316 ( -4.227 4.503 1.754) 6.420 7.449 ( -8.644 -1.608 -5.065) 10.147 7.467 ( -5.275 1.939 -1.733) 5.881 7.620 ( -1.057 -2.645 2.519) 3.802 7.768 ( -0.941 5.653 4.838) 7.500 7.962 ( -2.928 1.125 -3.821) 4.944 8.028 ( -3.501 0.580 1.987) 4.067 8.099 ( -0.254 -6.460 1.696) 6.683 8.186 ( -2.666 -3.172 3.922) 5.706 8.264 ( 0.600 -3.274 2.022) 3.894 8.433 ( -9.213 -0.415 0.917) 9.268 8.462 ( -7.195 -1.508 -1.025) 7.423 8.610 ( -4.236 2.797 -0.442) 5.095 8.658 ( 2.821 1.845 1.222) 3.586 8.751 ( 2.640 3.364 -2.936) 5.188 8.807 ( 4.661 4.568 -4.294) 7.812 8.970 ( -0.976 -4.259 0.657) 4.419 9.042 ( 2.810 -3.494 4.605) 6.428 9.126 ( 1.965 0.216 0.847) 2.151 9.168 ( 2.341 0.747 1.906) 3.110 9.202 ( 2.613 0.627 -1.003) 2.868 9.235 ( 1.890 0.396 3.417) 3.925 9.346 ( -0.804 1.783 -0.861) 2.138 9.398 ( -0.250 3.983 0.521) 4.025 9.424 ( -3.928 1.084 -0.992) 4.193 9.677 ( 2.335 -4.509 -2.410) 5.621 9.770 ( 0.658 -3.065 -1.922) 3.677 9.829 ( -5.669 -0.361 1.436) 5.859 9.887 ( -0.032 -1.915 -0.232) 1.929 9.962 ( -4.317 4.679 -0.281) 6.372 10.048 ( 2.416 -5.010 -0.212) 5.566 10.120 ( -4.195 -1.454 0.615) 4.482 10.248 ( 1.672 8.012 0.225) 8.188 10.355 ( 4.150 2.156 -2.661) 5.381 10.422 ( 1.682 -0.731 0.922) 2.053 10.466 ( 4.713 2.361 -2.872) 6.003 10.546 ( -0.688 2.543 1.236) 2.910 10.721 ( 4.797 -0.884 -3.061) 5.758 10.836 ( 2.546 5.001 -5.868) 8.119 10.958 ( 2.464 2.838 1.837) 4.183 11.032 ( -2.664 -4.816 -8.611) 10.219 11.245 ( 1.432 -0.066 -1.289) 1.928 11.303 ( 4.440 -7.039 0.884) 8.369 11.551 ( 0.730 -7.044 -3.146) 7.748 11.992 ( 1.767 2.679 0.070) 3.210 12.110 ( -0.084 -0.091 0.285) 0.311 12.282 ( -0.282 -3.798 0.376) 3.827 12.342 ( -1.121 -2.747 2.058) 3.611 12.608 ( -3.537 8.135 2.753) 9.288 12.813 ( 3.057 -2.653 4.104) 5.765 13.161 ( 6.664 1.635 -3.782) 7.834 13.218 ( 2.723 -0.765 -0.434) 2.861 13.625 ( 0.443 1.077 1.045) 1.564 13.663 ( 0.382 -0.587 0.755) 1.030 13.722 ( 0.604 2.219 1.615) 2.810 13.800 ( 0.582 -1.018 0.438) 1.252 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.474 3.287 -1.226) 3.540 1.432 ( -10.458 1.902 -2.372) 10.891 1.592 ( 7.226 -3.548 -4.727) 9.336 1.668 ( 8.740 -5.583 -1.781) 10.523 1.746 ( -17.805 4.946 2.515) 18.649 2.114 ( -2.514 -7.476 -8.438) 11.550 2.343 ( -0.529 1.644 -3.365) 3.782 2.463 ( -5.143 8.838 -2.038) 10.426 2.558 ( -5.806 4.760 1.440) 7.645 2.624 ( 1.593 -3.861 -0.185) 4.181 2.658 ( 3.759 -3.302 -5.048) 7.107 2.693 ( -5.971 5.502 -3.077) 8.683 2.828 ( 1.855 4.083 2.295) 5.038 2.865 ( 2.278 -2.371 0.071) 3.289 2.927 ( 1.731 0.010 2.801) 3.293 2.987 ( 8.612 1.887 1.006) 8.874 3.045 ( 8.121 -1.118 -1.944) 8.425 3.194 ( 3.957 3.395 -2.076) 5.612 3.233 ( -5.418 7.819 -1.640) 9.653 3.356 ( 4.820 3.822 4.185) 7.440 3.422 ( 0.898 -3.264 1.884) 3.874 3.452 ( 3.154 -0.627 1.107) 3.401 3.606 ( 8.539 0.601 2.442) 8.902 3.673 ( -0.945 -7.564 -4.016) 8.616 3.739 ( -4.707 -1.724 -2.390) 5.553 3.785 ( 7.517 -4.879 1.791) 9.139 3.903 ( 3.109 -1.132 0.444) 3.338 3.965 ( -0.817 -3.967 4.055) 5.732 4.033 ( -4.610 -0.565 2.996) 5.527 4.076 ( -5.465 -3.694 -0.574) 6.622 4.213 ( 7.332 -2.039 -1.100) 7.689 4.317 ( -3.433 -3.352 -1.524) 5.035 4.409 ( -4.116 -0.804 6.870) 8.049 4.583 ( -4.466 -0.557 3.736) 5.849 4.656 ( 0.011 -0.216 -0.694) 0.727 4.820 ( 2.372 -6.157 1.453) 6.756 4.863 ( -2.537 2.319 -2.381) 4.181 4.885 ( 0.046 3.714 3.631) 5.194 4.971 ( 1.609 2.741 -0.419) 3.206 5.062 ( -2.361 -0.221 -1.738) 2.940 5.068 ( -0.783 -2.766 1.714) 3.347 5.093 ( -2.332 4.014 0.385) 4.658 5.206 ( -4.347 4.433 -3.558) 7.156 5.280 ( 0.594 -0.650 2.363) 2.522 5.347 ( -1.752 0.617 -3.250) 3.743 5.399 ( 2.402 1.647 4.889) 5.691 5.436 ( -5.329 -1.012 -0.267) 5.431 5.503 ( -1.145 1.177 1.647) 2.326 5.691 ( -1.363 1.559 -1.739) 2.705 5.767 ( -4.108 0.046 1.189) 4.277 5.832 ( 0.198 -1.239 -4.637) 4.804 5.839 ( -1.461 -3.007 -4.234) 5.395 5.912 ( -1.965 1.701 2.061) 3.317 5.993 ( -2.524 3.352 -3.433) 5.422 6.031 ( 0.025 1.480 3.131) 3.463 6.120 ( -3.941 2.079 -0.308) 4.466 6.275 ( -4.245 -2.594 6.091) 7.864 6.320 ( -3.847 -3.550 -10.117) 11.391 6.538 ( -8.109 2.199 -1.125) 8.477 6.595 ( -8.681 0.043 -3.670) 9.425 6.631 ( -3.291 3.296 -0.344) 4.670 6.761 ( -4.724 -1.086 6.811) 8.359 6.834 ( -6.586 -0.157 -1.163) 6.690 7.017 ( -4.067 -5.926 6.477) 9.675 7.181 ( -10.172 1.459 0.755) 10.303 7.220 ( -7.706 2.219 1.282) 8.121 7.370 ( -4.980 2.187 -0.043) 5.439 7.571 ( -3.964 -3.163 2.344) 5.587 7.654 ( -9.197 2.815 3.212) 10.140 7.826 ( -9.961 1.423 -2.137) 10.286 7.939 ( -5.136 1.606 -2.513) 5.938 8.028 ( -10.351 -2.183 0.822) 10.610 8.044 ( -6.531 -3.101 1.689) 7.424 8.236 ( -4.033 -2.146 3.144) 5.546 8.282 ( -6.310 -2.081 0.546) 6.667 8.318 ( -2.602 -2.919 4.280) 5.797 8.469 ( -7.196 4.653 -0.827) 8.609 8.663 ( -5.391 5.637 -4.665) 9.089 8.742 ( -1.589 -0.874 1.828) 2.575 8.893 ( 3.308 3.901 -0.791) 5.176 8.955 ( -3.994 -3.111 -2.259) 5.544 9.088 ( 0.861 -1.982 2.047) 2.977 9.135 ( 1.240 -4.376 -5.095) 6.830 9.182 ( -0.543 -2.146 -0.634) 2.303 9.242 ( -2.982 1.267 2.524) 4.107 9.265 ( 0.745 -0.065 0.080) 0.752 9.298 ( -0.140 3.564 2.798) 4.533 9.448 ( 3.906 0.559 -1.687) 4.291 9.478 ( 8.100 3.998 0.111) 9.033 9.665 ( -1.219 0.945 5.609) 5.818 9.745 ( -2.737 1.304 -0.748) 3.123 9.796 ( 0.906 -2.876 -2.065) 3.655 9.872 ( -1.442 2.439 -0.129) 2.837 9.978 ( 5.892 -3.100 2.400) 7.077 10.041 ( -2.570 -4.662 1.848) 5.635 10.116 ( 3.671 -4.161 -0.922) 5.625 10.286 ( 2.351 6.929 1.290) 7.430 10.422 ( 2.269 2.863 -3.760) 5.242 10.469 ( 2.729 -1.550 0.163) 3.143 10.555 ( 2.031 -2.049 1.639) 3.318 10.573 ( 4.813 3.870 -0.016) 6.176 10.758 ( 0.467 -1.601 -5.544) 5.790 10.955 ( 1.303 -0.318 -7.605) 7.723 10.975 ( 5.742 0.772 -9.151) 10.831 11.088 ( 6.957 1.882 0.789) 7.250 11.319 ( 5.923 1.299 -0.179) 6.066 11.417 ( 6.089 -6.006 -0.100) 8.553 11.605 ( 3.442 -3.619 -4.273) 6.573 12.036 ( 2.386 0.910 0.887) 2.703 12.117 ( 0.503 -0.730 3.375) 3.489 12.283 ( 0.352 -0.747 -0.500) 0.966 12.337 ( 0.784 -1.800 -0.020) 1.963 12.548 ( -2.030 9.406 -0.346) 9.629 12.902 ( 5.252 -7.308 5.031) 10.311 13.290 ( 5.734 2.311 -1.708) 6.414 13.333 ( 8.592 -0.362 2.243) 8.888 13.643 ( 1.277 0.995 0.967) 1.886 13.675 ( 0.901 -0.312 0.865) 1.287 13.744 ( 1.543 2.446 2.047) 3.543 13.819 ( 1.274 -0.731 0.669) 1.614 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -17.862 10.576 -3.212) 21.006 1.292 ( -21.384 8.308 7.417) 24.111 1.492 ( 5.568 -1.333 3.896) 6.925 1.736 ( 0.825 -14.571 -3.452) 14.997 1.953 ( 7.007 -4.300 -1.155) 8.302 2.026 ( 3.195 -7.737 0.971) 8.427 2.171 ( -16.505 14.580 9.746) 24.083 2.461 ( -0.949 5.388 -4.923) 7.359 2.510 ( 4.247 3.477 -12.333) 13.499 2.561 ( -2.854 8.155 -5.452) 10.217 2.661 ( 0.537 2.575 0.606) 2.699 2.738 ( 4.707 -1.304 -3.106) 5.789 2.812 ( -1.981 -0.461 -0.370) 2.067 2.863 ( -0.354 3.707 -0.279) 3.735 3.004 ( 4.720 1.198 1.096) 4.992 3.087 ( -0.825 2.980 -2.142) 3.761 3.164 ( -2.956 -4.714 -4.259) 7.007 3.198 ( 4.931 -6.775 -0.612) 8.402 3.237 ( 4.464 0.153 -0.006) 4.467 3.392 ( 0.094 -3.545 -1.751) 3.955 3.475 ( -4.150 -5.127 -2.201) 6.953 3.527 ( 3.458 -1.357 0.240) 3.722 3.608 ( 7.199 2.350 -2.541) 7.988 3.726 ( 4.083 -1.192 4.658) 6.308 3.783 ( 1.667 -2.107 1.637) 3.146 3.894 ( -2.898 -8.289 7.200) 11.355 3.965 ( -0.795 -2.507 -0.486) 2.675 3.975 ( 4.911 5.022 0.062) 7.024 4.018 ( 4.937 -3.711 1.504) 6.357 4.070 ( 6.392 1.760 -1.421) 6.780 4.235 ( -0.550 -1.985 -3.425) 3.997 4.320 ( -1.635 -5.044 3.903) 6.584 4.392 ( 2.818 -2.344 6.979) 7.883 4.493 ( -3.347 -3.840 2.422) 5.641 4.644 ( -1.160 2.749 -2.202) 3.708 4.757 ( -7.718 1.217 -0.953) 7.871 4.774 ( -5.847 -0.245 1.409) 6.020 4.865 ( -2.282 -2.185 2.323) 3.921 4.918 ( -4.681 3.553 -0.468) 5.896 4.962 ( -5.791 -2.934 -0.202) 6.495 5.065 ( -3.275 4.864 2.252) 6.281 5.088 ( 0.819 1.602 0.461) 1.857 5.130 ( -0.642 6.584 -6.422) 9.220 5.229 ( -2.877 -0.275 2.515) 3.831 5.311 ( -1.106 -3.275 -2.512) 4.273 5.370 ( -1.298 -0.702 0.925) 1.741 5.444 ( -4.661 2.254 -0.014) 5.177 5.462 ( 0.733 2.666 1.827) 3.314 5.676 ( -1.617 2.555 -0.971) 3.176 5.701 ( -0.913 3.175 0.034) 3.303 5.780 ( -4.005 -1.016 -1.359) 4.349 5.846 ( 0.231 -1.518 -4.782) 5.022 5.878 ( -1.257 1.627 2.312) 3.094 5.935 ( -2.084 2.147 -1.467) 3.332 6.015 ( -4.484 0.445 0.736) 4.566 6.052 ( 0.085 0.323 0.222) 0.402 6.097 ( -11.179 -3.214 3.310) 12.093 6.240 ( -4.418 -3.412 -6.934) 8.902 6.343 ( -9.653 2.247 -2.377) 10.192 6.383 ( -9.949 1.573 -3.661) 10.717 6.576 ( -3.225 1.538 2.630) 4.437 6.656 ( -4.577 1.292 4.791) 6.751 6.710 ( -4.787 -1.716 -0.471) 5.107 6.935 ( -3.310 -4.575 -2.832) 6.317 7.012 ( -4.740 0.990 4.781) 6.805 7.137 ( -2.158 0.412 3.496) 4.129 7.273 ( -4.700 2.776 1.356) 5.624 7.440 ( -9.485 4.384 4.575) 11.407 7.480 ( -7.170 -5.049 0.619) 8.792 7.597 ( -10.733 -0.218 0.735) 10.760 7.723 ( -12.176 -1.246 -1.574) 12.341 7.858 ( -10.200 -7.570 -4.279) 13.403 7.926 ( -2.993 9.521 -0.970) 10.028 8.152 ( -3.433 -1.593 4.435) 5.830 8.186 ( -5.102 -1.697 2.914) 6.116 8.236 ( -6.226 -0.661 0.610) 6.291 8.359 ( -2.674 8.718 -0.343) 9.125 8.526 ( -5.264 1.767 -3.367) 6.494 8.741 ( -0.411 -4.320 3.202) 5.393 8.750 ( -11.780 -8.415 -5.042) 15.330 8.897 ( -5.014 3.295 -2.096) 6.355 9.068 ( -3.409 -2.429 -0.414) 4.206 9.105 ( -1.499 0.764 -5.660) 5.905 9.171 ( 0.158 -5.720 1.607) 5.943 9.241 ( 1.962 2.460 -0.306) 3.161 9.275 ( -0.593 0.770 -5.379) 5.466 9.356 ( 4.065 2.654 5.959) 7.686 9.493 ( 0.909 3.659 -2.886) 4.748 9.590 ( 1.345 -2.254 4.930) 5.586 9.672 ( 0.959 -0.294 7.407) 7.474 9.713 ( 0.780 3.299 -2.474) 4.197 9.780 ( -0.616 -0.010 -1.979) 2.073 9.924 ( 4.392 1.904 4.099) 6.303 10.031 ( 1.564 -5.405 4.050) 6.933 10.083 ( 3.253 -2.493 1.898) 4.517 10.211 ( 5.876 -3.925 0.240) 7.071 10.352 ( 3.939 4.481 3.208) 6.774 10.463 ( 1.770 3.266 -1.691) 4.081 10.517 ( 2.007 -3.378 -0.153) 3.932 10.595 ( 1.547 -2.151 0.733) 2.749 10.665 ( 3.909 2.256 -0.925) 4.607 10.771 ( 1.066 -0.779 -5.935) 6.080 10.960 ( 1.935 -1.197 -10.997) 11.230 11.108 ( 5.403 -5.739 -9.737) 12.528 11.259 ( 9.134 6.858 1.642) 11.540 11.454 ( 6.420 3.503 -1.222) 7.415 11.527 ( 4.337 -3.545 -1.727) 5.861 11.651 ( 0.834 -1.427 -5.299) 5.550 12.068 ( 0.210 -0.466 0.357) 0.623 12.129 ( 0.533 -0.760 7.294) 7.353 12.303 ( 1.842 2.306 0.219) 2.960 12.370 ( 2.189 -0.961 -0.444) 2.431 12.537 ( 1.095 9.188 -2.665) 9.629 13.011 ( 4.922 -10.944 5.264) 13.103 13.417 ( 6.462 4.593 -0.189) 7.931 13.523 ( 9.268 -1.982 4.312) 10.412 13.675 ( 1.822 0.911 0.975) 2.259 13.704 ( 2.051 -0.039 1.128) 2.341 13.790 ( 3.275 3.503 2.645) 5.477 13.852 ( 2.014 0.210 0.789) 2.173 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -11.010 19.449 5.452) 23.005 0.908 ( -13.739 14.591 14.502) 24.738 1.577 ( -15.688 4.722 11.045) 19.759 1.603 ( 2.711 -11.209 3.536) 12.063 1.731 ( -11.582 -1.786 10.089) 15.464 2.098 ( 8.397 -1.742 -2.294) 8.877 2.288 ( 8.709 -6.283 -2.986) 11.146 2.434 ( -0.320 12.871 -2.932) 13.205 2.438 ( -4.723 10.524 -5.660) 12.849 2.592 ( 1.403 -0.579 -11.090) 11.194 2.676 ( 0.006 -3.443 -9.479) 10.085 2.698 ( -5.952 2.680 -1.058) 6.613 2.845 ( -0.530 -1.321 -0.929) 1.699 2.928 ( 8.200 -3.669 -5.664) 10.620 3.052 ( -5.659 -5.230 -2.238) 8.024 3.122 ( 4.387 -2.240 -0.079) 4.926 3.133 ( 3.882 6.052 1.763) 7.403 3.235 ( 0.819 -6.453 -1.047) 6.588 3.309 ( 3.507 -3.270 0.759) 4.855 3.371 ( -1.931 -6.481 -4.237) 7.980 3.459 ( 2.953 1.438 -4.278) 5.394 3.602 ( 2.747 0.639 2.335) 3.661 3.661 ( -1.313 -3.062 0.549) 3.376 3.747 ( -2.512 -3.214 2.550) 4.811 3.839 ( 1.436 -4.754 2.946) 5.775 3.869 ( 1.767 -1.399 1.650) 2.793 3.983 ( 1.933 2.872 -5.156) 6.210 4.004 ( -1.939 7.287 2.005) 7.803 4.127 ( -0.348 -2.154 -4.619) 5.108 4.143 ( 3.546 -1.224 0.831) 3.842 4.231 ( 1.059 -4.573 -0.883) 4.776 4.317 ( -0.578 -0.166 4.404) 4.445 4.398 ( 0.504 -2.652 10.417) 10.762 4.481 ( -1.051 -6.401 4.589) 7.946 4.599 ( -3.748 1.165 0.621) 3.974 4.621 ( -3.233 1.461 0.554) 3.590 4.658 ( -4.295 0.991 -3.318) 5.518 4.747 ( -6.956 -0.029 -2.577) 7.418 4.849 ( -2.764 4.133 2.960) 5.786 4.899 ( 1.240 -0.170 2.702) 2.978 4.967 ( -4.745 1.110 -1.668) 5.151 5.064 ( -3.496 1.001 -3.470) 5.026 5.129 ( -0.751 0.008 2.524) 2.633 5.233 ( 0.873 -0.615 1.147) 1.567 5.278 ( -2.208 0.545 -0.109) 2.277 5.346 ( -0.398 -4.581 -0.840) 4.674 5.410 ( 1.688 3.888 -1.991) 4.683 5.436 ( -1.482 2.230 -1.666) 3.153 5.617 ( -2.752 5.726 -2.843) 6.960 5.672 ( -6.180 -0.526 -1.128) 6.304 5.695 ( -0.575 3.948 0.918) 4.093 5.785 ( -5.375 0.356 2.770) 6.057 5.859 ( -2.169 0.512 0.683) 2.331 5.890 ( -4.534 0.844 0.045) 4.612 5.903 ( -0.831 -0.111 -1.238) 1.495 5.979 ( -0.868 1.806 1.269) 2.371 6.074 ( 0.817 -1.956 -1.461) 2.574 6.154 ( -3.465 -1.695 -6.410) 7.481 6.198 ( -2.943 1.903 -5.286) 6.343 6.244 ( -3.360 1.706 -4.033) 5.519 6.520 ( -1.260 -0.094 5.421) 5.567 6.607 ( -1.023 1.115 5.199) 5.415 6.646 ( -1.475 -0.224 0.913) 1.749 6.919 ( 1.009 1.462 -3.868) 4.257 6.965 ( -0.069 -4.780 2.679) 5.480 7.098 ( -2.190 -1.401 1.951) 3.250 7.157 ( -6.648 2.259 1.215) 7.126 7.228 ( -10.236 -1.212 1.624) 10.434 7.361 ( -2.687 4.289 2.681) 5.728 7.440 ( -5.997 -0.187 1.186) 6.116 7.531 ( -5.545 -2.982 -0.957) 6.368 7.657 ( -8.441 -4.948 -2.004) 9.987 7.865 ( -3.523 6.036 -3.032) 7.618 8.041 ( -6.405 1.418 -1.510) 6.732 8.095 ( -2.507 -0.338 2.402) 3.489 8.163 ( -2.042 -2.077 4.719) 5.546 8.305 ( -3.628 6.587 -2.458) 7.912 8.470 ( -4.906 -2.335 3.903) 6.690 8.499 ( -5.163 -4.096 -2.893) 7.198 8.741 ( -4.483 1.332 -3.565) 5.881 8.768 ( -2.746 -5.766 -0.018) 6.386 8.940 ( -7.780 -5.497 -5.718) 11.110 9.101 ( -0.580 1.674 -3.773) 4.169 9.179 ( 0.879 -3.686 3.102) 4.897 9.241 ( -1.363 1.728 -7.933) 8.233 9.275 ( 0.781 2.467 0.090) 2.589 9.432 ( 2.819 2.171 4.044) 5.387 9.514 ( 1.332 4.078 -0.071) 4.291 9.599 ( 0.698 -3.702 5.520) 6.683 9.647 ( -2.184 -0.920 2.190) 3.227 9.741 ( 0.838 3.266 6.239) 7.092 9.827 ( 3.532 3.116 -2.228) 5.210 9.984 ( 1.910 -1.783 7.353) 7.804 10.076 ( 1.107 -5.762 4.356) 7.307 10.135 ( 2.550 0.402 -1.045) 2.785 10.324 ( 4.448 -2.744 1.682) 5.490 10.422 ( 1.372 -0.587 5.813) 6.002 10.479 ( -0.211 0.369 -0.949) 1.040 10.550 ( 1.362 -0.915 2.278) 2.807 10.621 ( 1.401 -1.541 -1.590) 2.620 10.733 ( 3.194 2.155 -2.626) 4.663 10.797 ( 1.641 -0.164 -4.427) 4.725 11.041 ( 6.185 -1.814 -10.319) 12.167 11.189 ( 2.867 -9.242 -9.371) 13.470 11.441 ( 8.402 7.316 -1.140) 11.199 11.551 ( 2.630 2.188 -1.903) 3.914 11.580 ( 0.636 0.468 -4.331) 4.403 11.636 ( -1.588 0.605 -4.037) 4.380 12.058 ( -0.497 2.966 2.963) 4.221 12.136 ( 0.401 1.516 2.286) 2.772 12.350 ( 2.262 1.735 2.426) 3.744 12.415 ( 1.923 0.144 0.634) 2.030 12.577 ( 2.214 6.273 -0.167) 6.654 13.086 ( 1.902 -12.417 4.461) 13.331 13.522 ( 3.253 5.165 -0.106) 6.105 13.661 ( 3.236 -3.546 2.851) 5.584 13.717 ( 1.904 0.716 1.159) 2.341 13.756 ( 2.341 -0.277 1.962) 3.067 13.896 ( 2.645 3.311 -0.209) 4.243 13.928 ( 10.060 2.799 3.093) 10.891 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.217 -22.885 2.967) 23.078 1.076 ( 0.217 22.885 2.967) 23.078 1.245 ( -1.208 -22.206 11.128) 24.868 1.245 ( -1.208 22.206 11.128) 24.868 2.074 ( -1.396 -29.387 7.341) 30.322 2.074 ( -1.396 29.387 7.341) 30.322 2.330 ( 6.442 -6.532 -3.224) 9.724 2.330 ( 6.442 6.532 -3.224) 9.724 2.544 ( -3.270 -9.554 -5.497) 11.497 2.544 ( -3.270 9.554 -5.497) 11.497 2.697 ( 0.675 -1.456 -10.089) 10.215 2.697 ( 0.675 1.456 -10.089) 10.215 2.838 ( -1.611 -11.821 -2.297) 12.149 2.838 ( -1.611 11.821 -2.297) 12.149 3.046 ( -1.301 -9.649 -4.552) 10.748 3.046 ( -1.301 9.649 -4.552) 10.748 3.122 ( 0.183 -6.196 7.119) 9.439 3.122 ( 0.183 6.196 7.119) 9.439 3.438 ( 0.346 -6.932 -4.104) 8.063 3.438 ( 0.346 6.932 -4.104) 8.063 3.554 ( 6.135 -7.004 0.022) 9.311 3.554 ( 6.135 7.004 0.022) 9.311 3.646 ( -4.393 -5.653 2.108) 7.464 3.646 ( -4.393 5.653 2.108) 7.464 3.871 ( 3.942 -6.655 1.587) 7.896 3.871 ( 3.942 6.655 1.587) 7.896 3.991 ( -6.556 -4.990 -8.767) 12.031 3.991 ( -6.556 4.990 -8.767) 12.031 4.160 ( -2.417 -2.254 -0.202) 3.311 4.160 ( -2.417 2.254 -0.202) 3.311 4.195 ( 1.333 -1.194 2.492) 3.068 4.195 ( 1.333 1.194 2.492) 3.068 4.412 ( -0.140 -3.045 7.929) 8.494 4.412 ( -0.140 3.045 7.929) 8.494 4.582 ( -0.576 -3.705 -1.633) 4.090 4.582 ( -0.576 3.705 -1.633) 4.090 4.660 ( 3.298 -0.514 0.314) 3.352 4.660 ( 3.298 0.514 0.314) 3.352 4.900 ( -1.792 -3.893 1.451) 4.525 4.900 ( -1.792 3.893 1.451) 4.525 4.962 ( 2.571 -2.154 2.458) 4.158 4.962 ( 2.571 2.154 2.458) 4.158 5.121 ( -4.627 -2.449 3.666) 6.392 5.121 ( -4.627 2.449 3.666) 6.392 5.292 ( 1.313 -3.467 -3.125) 4.849 5.292 ( 1.313 3.467 -3.125) 4.849 5.473 ( 3.235 -3.278 -1.041) 4.722 5.473 ( 3.235 3.278 -1.041) 4.722 5.653 ( -0.488 -1.366 -1.063) 1.798 5.653 ( -0.488 1.366 -1.063) 1.798 5.731 ( -1.308 -1.398 0.747) 2.055 5.731 ( -1.308 1.398 0.747) 2.055 5.864 ( -0.188 -0.322 1.186) 1.243 5.864 ( -0.188 0.322 1.186) 1.243 5.970 ( 0.532 -8.285 -5.448) 9.930 5.970 ( 0.532 8.285 -5.448) 9.930 6.033 ( -0.576 -1.025 -1.618) 2.000 6.033 ( -0.576 1.025 -1.618) 2.000 6.202 ( -0.987 -0.815 -5.904) 6.041 6.202 ( -0.987 0.815 -5.904) 6.041 6.521 ( 0.671 -0.675 7.548) 7.608 6.521 ( 0.671 0.675 7.548) 7.608 6.806 ( -1.273 -7.665 -3.132) 8.377 6.806 ( -1.273 7.665 -3.132) 8.377 7.034 ( 1.754 -3.938 0.132) 4.313 7.034 ( 1.754 3.938 0.132) 4.313 7.104 ( 2.491 -1.519 -0.277) 2.930 7.104 ( 2.491 1.519 -0.277) 2.930 7.419 ( 0.285 -2.114 4.342) 4.838 7.419 ( 0.285 2.114 4.342) 4.838 7.453 ( 1.103 -5.064 -2.702) 5.845 7.453 ( 1.103 5.064 -2.702) 5.845 7.878 ( -2.344 -6.556 2.620) 7.439 7.878 ( -2.344 6.556 2.620) 7.439 8.109 ( 0.697 -1.435 4.858) 5.113 8.109 ( 0.697 1.435 4.858) 5.113 8.352 ( 0.590 -5.117 -0.898) 5.229 8.352 ( 0.590 5.117 -0.898) 5.229 8.595 ( -0.387 -8.276 -1.426) 8.407 8.595 ( -0.387 8.276 -1.426) 8.407 8.705 ( -2.800 -3.182 -4.158) 5.938 8.705 ( -2.800 3.182 -4.158) 5.938 9.121 ( -0.502 -3.098 -2.244) 3.858 9.121 ( -0.502 3.098 -2.244) 3.858 9.294 ( 1.064 -1.454 -1.697) 2.475 9.294 ( 1.064 1.454 -1.697) 2.475 9.526 ( -0.230 -3.923 0.996) 4.054 9.526 ( -0.230 3.923 0.996) 4.054 9.601 ( 1.010 -2.703 6.027) 6.682 9.601 ( 1.010 2.703 6.027) 6.682 9.869 ( 1.288 -4.790 3.004) 5.799 9.869 ( 1.288 4.790 3.004) 5.799 9.983 ( -0.284 -2.581 5.684) 6.249 9.983 ( -0.284 2.581 5.684) 6.249 10.259 ( 0.307 -6.916 -1.651) 7.117 10.259 ( 0.307 6.916 -1.651) 7.117 10.418 ( -2.394 -2.041 2.229) 3.855 10.418 ( -2.394 2.041 2.229) 3.855 10.600 ( -0.006 -2.555 -0.045) 2.556 10.600 ( -0.006 2.555 -0.045) 2.556 10.837 ( 0.842 -2.047 -3.450) 4.099 10.837 ( 0.842 2.047 -3.450) 4.099 11.106 ( 3.431 -2.709 -7.426) 8.617 11.106 ( 3.431 2.709 -7.426) 8.617 11.545 ( -3.545 -1.481 -4.768) 6.123 11.545 ( -3.545 1.481 -4.768) 6.123 11.626 ( 1.084 -1.749 -2.424) 3.179 11.626 ( 1.084 1.749 -2.424) 3.179 12.190 ( 3.941 -1.673 0.472) 4.307 12.190 ( 3.941 1.673 0.472) 4.307 12.396 ( -0.308 -1.433 1.708) 2.251 12.396 ( -0.308 1.433 1.708) 2.251 12.824 ( -1.080 -13.243 4.062) 13.894 12.824 ( -1.080 13.243 4.062) 13.894 13.623 ( -0.458 -3.079 1.694) 3.544 13.623 ( -0.458 3.079 1.694) 3.544 13.766 ( 0.667 -1.351 1.922) 2.442 13.766 ( 0.667 1.351 1.922) 2.442 13.995 ( -2.528 -3.883 -1.697) 4.935 13.995 ( -2.528 3.883 -1.697) 4.935 ======================= Grid point 65 (35/84) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 4.915 -18.881 4.025) 19.921 1.175 ( 4.915 18.881 4.025) 19.921 1.260 ( 7.425 -17.025 7.438) 20.008 1.260 ( 7.425 17.025 7.438) 20.008 2.157 ( 5.235 -17.723 -0.639) 18.491 2.157 ( 5.235 17.723 -0.639) 18.491 2.353 ( -4.991 -6.096 5.565) 9.646 2.353 ( -4.991 6.096 5.565) 9.646 2.563 ( 5.509 -12.069 -5.179) 14.242 2.563 ( 5.509 12.069 -5.179) 14.242 2.693 ( -0.425 -2.204 -10.542) 10.778 2.693 ( -0.425 2.204 -10.542) 10.778 2.775 ( -2.398 -6.554 -7.572) 10.297 2.775 ( -2.398 6.554 -7.572) 10.297 3.014 ( -3.094 -9.437 5.606) 11.404 3.014 ( -3.094 9.437 5.606) 11.404 3.125 ( 2.676 -5.479 1.106) 6.197 3.125 ( 2.676 5.479 1.106) 6.197 3.414 ( -3.577 -3.546 -1.303) 5.203 3.414 ( -3.577 3.546 -1.303) 5.203 3.572 ( -0.451 -5.847 -1.156) 5.977 3.572 ( -0.451 5.847 -1.156) 5.977 3.677 ( 1.261 -6.892 -0.858) 7.059 3.677 ( 1.261 6.892 -0.858) 7.059 3.817 ( -6.603 -4.283 -1.205) 7.962 3.817 ( -6.603 4.283 -1.205) 7.962 3.958 ( 2.228 -3.220 -0.141) 3.918 3.958 ( 2.228 3.220 -0.141) 3.918 4.083 ( -2.111 -5.814 1.707) 6.417 4.083 ( -2.111 5.814 1.707) 6.417 4.244 ( 1.799 -3.384 1.096) 3.986 4.244 ( 1.799 3.384 1.096) 3.986 4.399 ( -0.507 -3.498 3.614) 5.055 4.399 ( -0.507 3.498 3.614) 5.055 4.627 ( 4.160 -3.873 -1.380) 5.849 4.627 ( 4.160 3.873 -1.380) 5.849 4.765 ( 5.437 -2.879 -0.000) 6.153 4.765 ( 5.437 2.879 -0.000) 6.153 4.870 ( -2.683 -3.813 1.558) 4.916 4.870 ( -2.683 3.813 1.558) 4.916 5.015 ( 3.813 -2.446 4.538) 6.412 5.015 ( 3.813 2.446 4.538) 6.412 5.099 ( 1.522 -4.843 -0.286) 5.084 5.099 ( 1.522 4.843 -0.286) 5.084 5.339 ( 3.315 -3.544 -1.907) 5.215 5.339 ( 3.315 3.544 -1.907) 5.215 5.500 ( -2.928 -2.408 -0.733) 3.861 5.500 ( -2.928 2.408 -0.733) 3.861 5.667 ( 4.062 -2.619 0.956) 4.927 5.667 ( 4.062 2.619 0.956) 4.927 5.722 ( 0.200 -1.177 -0.757) 1.414 5.722 ( 0.200 1.177 -0.757) 1.414 5.863 ( 0.192 -1.437 -2.805) 3.158 5.863 ( 0.192 1.437 -2.805) 3.158 6.010 ( 0.327 -4.341 -0.280) 4.362 6.010 ( 0.327 4.341 -0.280) 4.362 6.038 ( 4.290 -6.624 -4.423) 9.046 6.038 ( 4.290 6.624 -4.423) 9.046 6.235 ( 5.839 -2.047 -3.754) 7.237 6.235 ( 5.839 2.047 -3.754) 7.237 6.568 ( 3.852 -0.839 6.704) 7.778 6.568 ( 3.852 0.839 6.704) 7.778 6.791 ( 0.399 -5.010 -2.068) 5.434 6.791 ( 0.399 5.010 -2.068) 5.434 7.084 ( 3.368 -4.481 1.272) 5.748 7.084 ( 3.368 4.481 1.272) 5.748 7.230 ( 7.379 -3.583 -0.088) 8.203 7.230 ( 7.379 3.583 -0.088) 8.203 7.450 ( 3.816 -0.774 4.896) 6.255 7.450 ( 3.816 0.774 4.896) 6.255 7.601 ( 10.947 -4.029 -2.176) 11.866 7.601 ( 10.947 4.029 -2.176) 11.866 7.896 ( 3.279 -6.754 1.958) 7.759 7.896 ( 3.279 6.754 1.958) 7.759 8.140 ( 2.293 -1.963 4.342) 5.288 8.140 ( 2.293 1.963 4.342) 5.288 8.393 ( 2.513 -4.908 -3.598) 6.584 8.393 ( 2.513 4.908 -3.598) 6.584 8.581 ( 1.253 -3.539 -1.907) 4.211 8.581 ( 1.253 3.539 -1.907) 4.211 8.734 ( 4.313 -0.891 -2.844) 5.242 8.734 ( 4.313 0.891 -2.844) 5.242 9.113 ( -0.017 -4.161 -3.602) 5.504 9.113 ( -0.017 4.161 -3.602) 5.504 9.321 ( 1.310 -1.657 0.122) 2.116 9.321 ( 1.310 1.657 0.122) 2.116 9.502 ( -1.911 -3.340 0.008) 3.848 9.502 ( -1.911 3.340 0.008) 3.848 9.633 ( 1.687 -4.759 7.553) 9.085 9.633 ( 1.687 4.759 7.553) 9.085 9.866 ( -1.710 -4.151 -0.521) 4.519 9.866 ( -1.710 4.151 -0.521) 4.519 9.978 ( -0.413 -1.603 7.937) 8.107 9.978 ( -0.413 1.603 7.937) 8.107 10.227 ( -2.828 -6.769 -1.383) 7.465 10.227 ( -2.828 6.769 -1.383) 7.465 10.371 ( -2.158 -2.567 0.555) 3.399 10.371 ( -2.158 2.567 0.555) 3.399 10.581 ( -1.792 -3.504 -0.000) 3.935 10.581 ( -1.792 3.504 -0.000) 3.935 10.816 ( -2.758 -2.527 -3.872) 5.384 10.816 ( -2.758 2.527 -3.872) 5.384 11.150 ( 0.626 -3.874 -5.615) 6.850 11.150 ( 0.626 3.874 -5.615) 6.850 11.438 ( -6.383 -3.126 -3.836) 8.076 11.438 ( -6.383 3.126 -3.836) 8.076 11.635 ( -0.352 -4.874 -3.186) 5.834 11.635 ( -0.352 4.874 -3.186) 5.834 12.261 ( 2.224 -0.835 0.292) 2.393 12.261 ( 2.224 0.835 0.292) 2.393 12.368 ( -2.356 -2.263 4.145) 5.277 12.368 ( -2.356 2.263 4.145) 5.277 12.782 ( -2.474 -10.278 2.030) 10.765 12.782 ( -2.474 10.278 2.030) 10.765 13.568 ( -5.681 -4.538 1.790) 7.488 13.568 ( -5.681 4.538 1.790) 7.488 13.771 ( -0.234 -1.481 2.144) 2.617 13.771 ( -0.234 1.481 2.144) 2.617 13.855 ( -8.553 -1.867 -1.699) 8.918 13.855 ( -8.553 1.867 -1.699) 8.918 ======================= Grid point 67 (36/84) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 6.305 -13.267 1.997) 14.824 1.263 ( 6.305 13.267 1.997) 14.824 1.544 ( 15.631 -13.370 2.257) 20.692 1.544 ( 15.631 13.370 2.257) 20.692 2.042 ( -14.885 -5.130 4.134) 16.278 2.042 ( -14.885 5.130 4.134) 16.278 2.276 ( -0.381 -11.933 -7.708) 14.211 2.276 ( -0.381 11.933 -7.708) 14.211 2.637 ( -1.396 -5.002 -9.570) 10.889 2.637 ( -1.396 5.002 -9.570) 10.889 2.739 ( 7.035 -8.165 -5.503) 12.101 2.739 ( 7.035 8.165 -5.503) 12.101 2.847 ( 2.480 -7.039 -1.912) 7.704 2.847 ( 2.480 7.039 -1.912) 7.704 2.959 ( 2.131 -12.373 4.677) 13.398 2.959 ( 2.131 12.373 4.677) 13.398 3.165 ( -2.654 -4.666 7.248) 9.019 3.165 ( -2.654 4.666 7.248) 9.019 3.331 ( 0.217 -5.524 -5.268) 7.637 3.331 ( 0.217 5.524 -5.268) 7.637 3.508 ( -6.643 -4.062 -2.488) 8.175 3.508 ( -6.643 4.062 -2.488) 8.175 3.658 ( -3.016 -2.428 3.883) 5.484 3.658 ( -3.016 2.428 3.883) 5.484 3.749 ( 1.129 -5.637 1.298) 5.894 3.749 ( 1.129 5.637 1.298) 5.894 3.946 ( -3.556 -1.192 3.773) 5.320 3.946 ( -3.556 1.192 3.773) 5.320 4.089 ( 0.955 -2.899 2.368) 3.863 4.089 ( 0.955 2.899 2.368) 3.863 4.285 ( 3.012 -1.531 -1.589) 3.733 4.285 ( 3.012 1.531 -1.589) 3.733 4.409 ( 1.386 -2.442 1.216) 3.060 4.409 ( 1.386 2.442 1.216) 3.060 4.671 ( -3.493 -5.239 1.911) 6.580 4.671 ( -3.493 5.239 1.911) 6.580 4.784 ( 0.293 -1.190 -2.766) 3.026 4.784 ( 0.293 1.190 -2.766) 3.026 4.912 ( 5.751 -5.125 0.025) 7.703 4.912 ( 5.751 5.125 0.025) 7.703 5.082 ( 2.359 -1.602 2.216) 3.612 5.082 ( 2.359 1.602 2.216) 3.612 5.156 ( 3.918 -4.319 -1.685) 6.070 5.156 ( 3.918 4.319 -1.685) 6.070 5.397 ( -3.961 -4.572 -0.323) 6.058 5.397 ( -3.961 4.572 -0.323) 6.058 5.434 ( 4.171 -4.326 0.522) 6.032 5.434 ( 4.171 4.326 0.522) 6.032 5.699 ( 1.175 -2.332 -0.190) 2.618 5.699 ( 1.175 2.332 -0.190) 2.618 5.823 ( 5.280 -2.134 -2.986) 6.430 5.823 ( 5.280 2.134 -2.986) 6.430 5.901 ( 3.749 -3.507 -3.272) 6.088 5.901 ( 3.749 3.507 -3.272) 6.088 5.998 ( 0.378 -0.991 3.103) 3.279 5.998 ( 0.378 0.991 3.103) 3.279 6.161 ( 6.224 -7.755 -5.407) 11.319 6.161 ( 6.224 7.755 -5.407) 11.319 6.419 ( 10.637 -2.636 -0.726) 10.983 6.419 ( 10.637 2.636 -0.726) 10.983 6.663 ( 4.411 -4.082 4.790) 7.686 6.663 ( 4.411 4.082 4.790) 7.686 6.843 ( 5.573 -1.175 0.553) 5.723 6.843 ( 5.573 1.175 0.553) 5.723 7.146 ( 3.103 -6.164 2.681) 7.403 7.146 ( 3.103 6.164 2.681) 7.403 7.399 ( 8.663 -3.863 1.101) 9.548 7.399 ( 8.663 3.863 1.101) 9.548 7.556 ( 6.134 -2.850 5.559) 8.755 7.556 ( 6.134 2.850 5.559) 8.755 7.829 ( 10.335 -4.057 -2.853) 11.464 7.829 ( 10.335 4.057 -2.853) 11.464 7.982 ( 4.645 -2.327 2.922) 5.961 7.982 ( 4.645 2.327 2.922) 5.961 8.203 ( 3.735 -3.794 2.670) 5.956 8.203 ( 3.735 3.794 2.670) 5.956 8.446 ( 3.680 -5.458 -4.739) 8.111 8.446 ( 3.680 5.458 -4.739) 8.111 8.651 ( 4.376 -4.710 -2.592) 6.932 8.651 ( 4.376 4.710 -2.592) 6.932 8.851 ( 6.814 -2.839 -3.989) 8.390 8.851 ( 6.814 2.839 -3.989) 8.390 9.123 ( 1.008 -3.726 -3.093) 4.947 9.123 ( 1.008 3.726 -3.093) 4.947 9.323 ( -1.756 -4.458 2.342) 5.333 9.323 ( -1.756 4.458 2.342) 5.333 9.461 ( -1.785 -0.529 1.390) 2.323 9.461 ( -1.785 0.529 1.390) 2.323 9.666 ( 0.819 -8.045 5.754) 9.925 9.666 ( 0.819 8.045 5.754) 9.925 9.813 ( -2.532 -5.557 -2.747) 6.696 9.813 ( -2.532 5.557 -2.747) 6.696 9.961 ( -1.440 -1.799 6.533) 6.928 9.961 ( -1.440 1.799 6.533) 6.928 10.172 ( -2.271 -5.661 1.886) 6.384 10.172 ( -2.271 5.661 1.886) 6.384 10.333 ( -1.399 -3.427 -1.143) 3.874 10.333 ( -1.399 3.427 -1.143) 3.874 10.535 ( -2.504 -4.465 -0.807) 5.183 10.535 ( -2.504 4.465 -0.807) 5.183 10.729 ( -5.543 -2.950 -5.002) 8.028 10.729 ( -5.543 2.950 -5.002) 8.028 11.130 ( -2.276 -3.232 -5.445) 6.728 11.130 ( -2.276 3.232 -5.445) 6.728 11.298 ( -6.981 -2.477 -1.505) 7.559 11.298 ( -6.981 2.477 -1.505) 7.559 11.599 ( -3.464 -8.490 -3.471) 9.804 11.599 ( -3.464 8.490 -3.471) 9.804 12.245 ( -4.051 -1.918 6.458) 7.861 12.245 ( -4.051 1.918 6.458) 7.861 12.323 ( -1.636 -8.975 -0.361) 9.131 12.323 ( -1.636 8.975 -0.361) 9.131 12.756 ( 0.264 -5.414 0.767) 5.474 12.756 ( 0.264 5.414 0.767) 5.474 13.389 ( -10.535 -8.008 0.218) 13.235 13.389 ( -10.535 8.008 0.218) 13.235 13.719 ( -3.667 -0.730 0.690) 3.802 13.719 ( -3.667 0.730 0.690) 3.802 13.775 ( -0.496 -1.747 0.514) 1.888 13.775 ( -0.496 1.747 0.514) 1.888 ======================= Grid point 69 (37/84) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 6.141 -3.791 -1.858) 7.452 1.422 ( 6.141 3.791 -1.858) 7.452 1.588 ( -9.518 -2.351 -3.123) 10.289 1.588 ( -9.518 2.351 -3.123) 10.289 2.019 ( 14.364 -9.859 3.480) 17.766 2.019 ( 14.364 9.859 3.480) 17.766 2.273 ( 0.154 -7.297 -8.536) 11.231 2.273 ( 0.154 7.297 -8.536) 11.231 2.603 ( -1.254 -4.937 -5.720) 7.660 2.603 ( -1.254 4.937 -5.720) 7.660 2.695 ( -9.673 -4.928 -0.838) 10.888 2.695 ( -9.673 4.928 -0.838) 10.888 2.886 ( 1.693 -3.314 -3.210) 4.915 2.886 ( 1.693 3.314 -3.210) 4.915 2.989 ( 0.301 -5.630 -1.189) 5.762 2.989 ( 0.301 5.630 -1.189) 5.762 3.142 ( -2.259 -9.512 5.940) 11.440 3.142 ( -2.259 9.512 5.940) 11.440 3.299 ( -4.140 -0.848 0.216) 4.232 3.299 ( -4.140 0.848 0.216) 4.232 3.482 ( 2.885 -4.041 0.534) 4.993 3.482 ( 2.884 4.041 0.534) 4.993 3.594 ( -0.424 -3.967 3.476) 5.292 3.594 ( -0.424 3.967 3.476) 5.292 3.751 ( -4.400 -8.679 1.509) 9.847 3.751 ( -4.400 8.679 1.509) 9.847 3.896 ( 1.616 -3.091 2.422) 4.247 3.896 ( 1.616 3.091 2.422) 4.247 4.140 ( 5.620 -2.430 4.311) 7.489 4.140 ( 5.620 2.430 4.311) 7.489 4.342 ( 0.137 -8.366 -1.854) 8.570 4.342 ( 0.137 8.366 -1.854) 8.570 4.408 ( -3.038 -2.942 1.889) 4.632 4.408 ( -3.038 2.942 1.889) 4.632 4.577 ( -0.314 -7.002 0.079) 7.010 4.577 ( -0.314 7.002 0.079) 7.010 4.783 ( -2.015 -6.786 -3.042) 7.705 4.783 ( -2.015 6.786 -3.042) 7.705 5.020 ( 3.990 -2.784 0.018) 4.865 5.020 ( 3.990 2.784 0.018) 4.865 5.137 ( 2.380 -1.959 -0.101) 3.084 5.137 ( 2.380 1.959 -0.101) 3.084 5.231 ( 2.981 -1.639 -0.808) 3.496 5.231 ( 2.981 1.639 -0.808) 3.496 5.341 ( -0.291 -5.250 0.517) 5.283 5.341 ( -0.291 5.250 0.517) 5.283 5.503 ( 1.546 -3.354 1.434) 3.962 5.503 ( 1.546 3.354 1.434) 3.962 5.751 ( 3.381 -1.554 -0.545) 3.761 5.751 ( 3.381 1.554 -0.545) 3.761 5.871 ( 0.726 -2.136 -3.032) 3.779 5.871 ( 0.726 2.136 -3.032) 3.779 5.945 ( 0.682 -3.453 -2.079) 4.087 5.945 ( 0.682 3.453 -2.079) 4.087 6.070 ( 4.686 -0.357 3.730) 6.000 6.070 ( 4.686 0.357 3.730) 6.000 6.267 ( 4.031 -6.918 -6.717) 10.451 6.267 ( 4.031 6.918 -6.717) 10.451 6.607 ( 7.015 -2.015 0.295) 7.304 6.607 ( 7.015 2.015 0.295) 7.304 6.733 ( 2.900 -5.353 2.642) 6.637 6.733 ( 2.900 5.353 2.642) 6.637 6.988 ( 5.734 -2.141 5.604) 8.299 6.988 ( 5.734 2.141 5.604) 8.299 7.249 ( 7.877 -4.516 0.465) 9.091 7.249 ( 7.877 4.516 0.465) 9.091 7.549 ( 5.487 -4.436 2.803) 7.592 7.549 ( 5.487 4.436 2.803) 7.592 7.693 ( 6.762 -4.836 3.966) 9.211 7.693 ( 6.762 4.836 3.966) 9.211 7.986 ( 4.921 -4.020 -4.289) 7.666 7.986 ( 4.921 4.020 -4.289) 7.666 8.083 ( 5.242 -1.247 4.322) 6.907 8.083 ( 5.242 1.247 4.322) 6.907 8.307 ( 7.079 -4.721 2.257) 8.803 8.307 ( 7.079 4.721 2.257) 8.803 8.544 ( 5.242 -3.722 -2.280) 6.821 8.544 ( 5.242 3.722 -2.280) 6.821 8.729 ( 3.205 -4.062 -2.862) 5.913 8.729 ( 3.205 4.062 -2.862) 5.913 8.980 ( 5.252 -7.896 -5.892) 11.164 8.980 ( 5.252 7.896 -5.892) 11.164 9.118 ( -2.508 -0.827 -1.293) 2.940 9.118 ( -2.508 0.827 -1.293) 2.940 9.263 ( -3.302 -3.450 2.376) 5.334 9.263 ( -3.302 3.450 2.376) 5.334 9.436 ( -0.343 -1.581 3.877) 4.201 9.436 ( -0.343 1.581 3.877) 4.201 9.628 ( -4.413 -4.551 0.751) 6.384 9.628 ( -4.413 4.551 0.751) 6.384 9.801 ( 0.755 -5.918 -0.881) 6.030 9.801 ( 0.755 5.918 -0.881) 6.030 9.942 ( -0.034 -1.883 2.917) 3.472 9.942 ( -0.034 1.883 2.917) 3.472 10.141 ( -0.674 -4.896 4.758) 6.860 10.141 ( -0.674 4.896 4.758) 6.860 10.315 ( -0.472 -4.347 -0.212) 4.377 10.315 ( -0.472 4.347 -0.212) 4.377 10.490 ( -1.983 -3.843 -2.741) 5.120 10.490 ( -1.983 3.843 -2.741) 5.120 10.610 ( -4.711 -5.585 -6.133) 9.540 10.610 ( -4.711 5.585 -6.133) 9.540 11.057 ( -4.799 -7.396 -6.336) 10.857 11.057 ( -4.799 7.396 -6.336) 10.857 11.178 ( -4.230 -3.123 1.229) 5.400 11.178 ( -4.230 3.123 1.229) 5.400 11.489 ( -6.803 -11.346 -2.924) 13.548 11.489 ( -6.803 11.346 -2.924) 13.548 12.148 ( -4.558 -5.254 6.362) 9.426 12.148 ( -4.558 5.254 6.362) 9.426 12.293 ( -1.233 -6.438 -1.767) 6.789 12.293 ( -1.233 6.438 -1.767) 6.789 12.779 ( 1.106 -2.453 2.853) 3.922 12.779 ( 1.106 2.453 2.853) 3.922 13.202 ( -6.822 -7.959 -2.720) 10.830 13.202 ( -6.822 7.959 -2.720) 10.830 13.667 ( -1.665 -0.511 0.604) 1.843 13.667 ( -1.665 0.511 0.604) 1.843 13.767 ( -0.358 -1.970 0.872) 2.184 13.767 ( -0.358 1.970 0.872) 2.184 ======================= Grid point 71 (38/84) ======================= q-point: ( 0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -6.842 -5.220 -2.534) 8.971 1.299 ( -6.842 5.220 -2.534) 8.971 1.676 ( 7.695 -7.747 -9.016) 14.161 1.676 ( 7.695 7.747 -9.016) 14.161 2.231 ( 2.704 -0.865 -5.021) 5.768 2.231 ( 2.704 0.865 -5.021) 5.768 2.299 ( 0.871 -5.440 -1.403) 5.685 2.299 ( 0.871 5.440 -1.403) 5.685 2.498 ( -1.542 -3.492 2.374) 4.495 2.498 ( -1.542 3.492 2.374) 4.495 2.637 ( 0.329 -5.503 -2.902) 6.230 2.637 ( 0.329 5.503 -2.902) 6.230 2.880 ( -0.734 -2.716 -2.830) 3.991 2.880 ( -0.734 2.716 -2.830) 3.991 2.954 ( -1.062 -5.041 2.185) 5.595 2.954 ( -1.062 5.041 2.185) 5.595 3.102 ( -1.510 -4.011 4.662) 6.332 3.102 ( -1.510 4.011 4.662) 6.332 3.259 ( -1.887 -2.505 -1.004) 3.293 3.259 ( -1.887 2.505 -1.004) 3.293 3.423 ( -1.932 -1.572 2.862) 3.794 3.423 ( -1.932 1.572 2.862) 3.794 3.600 ( -6.570 -9.803 0.477) 11.811 3.600 ( -6.570 9.803 0.477) 11.811 3.722 ( 5.398 -5.274 -2.323) 7.896 3.722 ( 5.398 5.274 -2.323) 7.896 3.985 ( 5.275 -5.240 2.101) 7.727 3.985 ( 5.275 5.240 2.101) 7.727 4.139 ( -10.316 -6.521 5.094) 13.224 4.139 ( -10.316 6.521 5.094) 13.224 4.324 ( 2.491 -5.764 3.751) 7.314 4.324 ( 2.491 5.764 3.751) 7.314 4.424 ( 4.652 -0.484 -4.203) 6.288 4.424 ( 4.652 0.484 -4.203) 6.288 4.651 ( 4.663 -3.257 1.037) 5.782 4.651 ( 4.663 3.257 1.037) 5.782 4.730 ( -0.874 -4.453 0.960) 4.638 4.730 ( -0.874 4.453 0.960) 4.638 5.056 ( -0.873 -2.299 -0.268) 2.474 5.056 ( -0.873 2.299 -0.268) 2.474 5.130 ( -1.392 -3.900 0.332) 4.154 5.130 ( -1.392 3.900 0.332) 4.154 5.278 ( 0.971 -1.242 -0.050) 1.577 5.278 ( 0.971 1.242 -0.050) 1.577 5.381 ( 3.082 -3.870 -0.772) 5.007 5.381 ( 3.082 3.870 -0.772) 5.007 5.512 ( -0.246 -3.705 0.823) 3.803 5.512 ( -0.246 3.705 0.823) 3.803 5.804 ( 1.254 -2.776 -0.212) 3.054 5.804 ( 1.254 2.776 -0.212) 3.054 5.869 ( -0.848 -2.248 -2.549) 3.503 5.869 ( -0.848 2.248 -2.549) 3.503 5.954 ( 0.356 -1.994 -1.984) 2.836 5.954 ( 0.356 1.994 -1.984) 2.836 6.144 ( 2.455 -1.893 4.041) 5.093 6.144 ( 2.455 1.893 4.041) 5.093 6.313 ( 0.761 -5.378 -6.889) 8.773 6.313 ( 0.761 5.378 -6.889) 8.773 6.697 ( 2.148 -1.754 0.681) 2.856 6.697 ( 2.148 1.754 0.681) 2.856 6.783 ( 1.301 -2.828 1.469) 3.443 6.783 ( 1.301 2.828 1.469) 3.443 7.033 ( -0.725 -3.231 7.111) 7.844 7.033 ( -0.725 3.231 7.111) 7.844 7.408 ( 5.087 -3.345 -2.033) 6.419 7.408 ( 5.087 3.345 -2.033) 6.419 7.601 ( -0.887 -2.953 0.532) 3.129 7.601 ( -0.887 2.953 0.532) 3.129 7.827 ( 6.416 -6.155 7.164) 11.418 7.827 ( 6.416 6.155 7.164) 11.418 8.040 ( 0.829 -4.090 -3.996) 5.778 8.040 ( 0.829 4.090 -3.996) 5.778 8.176 ( 2.857 -2.020 3.538) 4.977 8.176 ( 2.857 2.020 3.538) 4.977 8.473 ( 7.094 -3.238 0.228) 7.802 8.473 ( 7.094 3.238 0.228) 7.802 8.634 ( 3.593 -1.155 -0.534) 3.812 8.634 ( 3.593 1.155 -0.534) 3.812 8.764 ( -0.368 -1.722 -2.878) 3.374 8.764 ( -0.368 1.722 -2.878) 3.374 8.976 ( -3.263 -2.668 2.050) 4.687 8.976 ( -3.263 2.668 2.050) 4.687 9.127 ( 2.921 -2.260 -0.173) 3.698 9.127 ( 2.921 2.260 -0.173) 3.698 9.191 ( -2.277 -1.786 0.022) 2.894 9.191 ( -2.277 1.786 0.022) 2.894 9.467 ( 2.440 -5.192 0.752) 5.786 9.467 ( 2.440 5.192 0.752) 5.786 9.518 ( -5.646 -1.435 -1.809) 6.100 9.518 ( -5.646 1.435 -1.809) 6.100 9.808 ( -0.053 -5.611 -0.020) 5.612 9.808 ( -0.053 5.611 -0.020) 5.612 9.940 ( -1.248 -4.963 1.209) 5.258 9.940 ( -1.248 4.963 1.209) 5.258 10.135 ( -1.102 -3.651 3.241) 5.005 10.135 ( -1.102 3.651 3.241) 5.005 10.311 ( 0.363 -3.333 2.398) 4.122 10.311 ( 0.363 3.333 2.398) 4.122 10.445 ( -0.952 -1.278 -6.981) 7.161 10.445 ( -0.952 1.278 -6.981) 7.161 10.595 ( 2.735 -4.195 -2.817) 5.746 10.595 ( 2.735 4.195 -2.817) 5.746 10.954 ( -4.120 -8.021 -4.647) 10.144 10.954 ( -4.120 8.021 -4.647) 10.144 11.118 ( -2.513 -6.677 -0.104) 7.135 11.118 ( -2.513 6.677 -0.104) 7.135 11.366 ( -3.580 -10.536 -2.198) 11.343 11.366 ( -3.580 10.536 -2.198) 11.343 12.081 ( -2.031 -5.654 4.404) 7.449 12.081 ( -2.031 5.654 4.404) 7.449 12.277 ( -0.327 -4.003 -1.495) 4.286 12.277 ( -0.327 4.003 -1.495) 4.286 12.776 ( -1.563 -2.119 4.025) 4.810 12.776 ( -1.563 2.119 4.025) 4.810 13.135 ( 0.371 -4.491 -3.692) 5.825 13.135 ( 0.371 4.491 -3.692) 5.825 13.647 ( -0.430 -0.829 0.640) 1.133 13.647 ( -0.430 0.829 0.640) 1.133 13.763 ( -0.057 -2.049 0.918) 2.246 13.763 ( -0.057 2.049 0.918) 2.246 ======================= Grid point 73 (39/84) ======================= q-point: (-0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 5.945 -1.011 -3.456) 6.950 1.290 ( 5.945 1.011 -3.456) 6.950 1.697 ( -5.753 -8.649 -7.392) 12.749 1.697 ( -5.753 8.649 -7.392) 12.749 2.127 ( -8.384 -2.151 -5.367) 10.185 2.127 ( -8.384 2.151 -5.367) 10.185 2.414 ( 8.233 -5.109 1.815) 9.858 2.414 ( 8.233 5.109 1.815) 9.858 2.513 ( -1.765 -3.105 -2.262) 4.228 2.513 ( -1.765 3.105 -2.262) 4.228 2.622 ( 4.140 -3.616 -1.943) 5.830 2.622 ( 4.140 3.616 -1.943) 5.830 2.891 ( -0.733 -2.201 2.140) 3.157 2.891 ( -0.733 2.201 2.140) 3.157 2.971 ( -4.841 -3.732 1.305) 6.250 2.971 ( -4.841 3.732 1.305) 6.250 3.093 ( 7.015 -6.161 2.042) 9.557 3.093 ( 7.015 6.161 2.042) 9.557 3.256 ( 3.155 -5.368 -2.527) 6.720 3.256 ( 3.155 5.368 -2.527) 6.720 3.456 ( 1.629 -9.014 3.043) 9.652 3.456 ( 1.629 9.014 3.043) 9.652 3.512 ( 0.577 -11.854 -0.646) 11.885 3.512 ( 0.577 11.854 -0.646) 11.885 3.760 ( -3.565 -6.625 -1.615) 7.695 3.760 ( -3.565 6.625 -1.615) 7.695 3.917 ( -6.134 -4.459 3.897) 8.526 3.917 ( -6.134 4.459 3.897) 8.526 4.099 ( 2.457 -3.177 0.509) 4.048 4.099 ( 2.457 3.177 0.509) 4.048 4.265 ( -5.721 -7.607 -0.009) 9.518 4.265 ( -5.721 7.607 -0.009) 9.518 4.525 ( 1.811 -5.239 2.040) 5.906 4.525 ( 1.811 5.239 2.040) 5.906 4.672 ( 0.869 -1.660 3.271) 3.770 4.672 ( 0.869 1.660 3.271) 3.770 4.843 ( 7.547 -3.393 1.407) 8.393 4.843 ( 7.547 3.393 1.407) 8.393 5.014 ( -1.837 -3.587 -1.636) 4.349 5.014 ( -1.837 3.587 -1.636) 4.349 5.125 ( 0.539 -4.219 1.051) 4.381 5.125 ( 0.539 4.219 1.051) 4.381 5.262 ( -1.875 -2.072 0.054) 2.795 5.262 ( -1.875 2.072 0.054) 2.795 5.427 ( 0.762 -2.788 -0.758) 2.988 5.427 ( 0.762 2.788 -0.758) 2.988 5.494 ( -1.526 -3.052 0.721) 3.488 5.494 ( -1.526 3.052 0.721) 3.488 5.800 ( -1.327 -3.852 -0.498) 4.105 5.800 ( -1.327 3.853 -0.498) 4.105 5.833 ( -2.420 -1.295 -3.797) 4.686 5.833 ( -2.420 1.295 -3.797) 4.686 5.962 ( 0.418 -1.495 -0.530) 1.640 5.962 ( 0.418 1.495 -0.530) 1.640 6.167 ( -0.521 -3.261 3.272) 4.649 6.167 ( -0.521 3.261 3.272) 4.649 6.306 ( -1.114 -3.568 -5.513) 6.661 6.306 ( -1.114 3.568 -5.513) 6.661 6.699 ( -2.364 -1.606 0.003) 2.858 6.699 ( -2.364 1.606 0.003) 2.858 6.768 ( -2.635 -2.227 -0.089) 3.451 6.768 ( -2.635 2.227 -0.089) 3.451 6.987 ( -3.630 -3.864 7.115) 8.873 6.987 ( -3.630 3.864 7.115) 8.873 7.399 ( -6.235 -3.221 -2.929) 7.604 7.399 ( -6.235 3.221 -2.929) 7.604 7.540 ( -3.684 -4.613 1.060) 5.998 7.540 ( -3.684 4.613 1.060) 5.998 7.911 ( -0.680 -8.283 7.771) 11.378 7.911 ( -0.680 8.283 7.771) 11.378 8.020 ( -2.068 -3.003 -4.792) 6.021 8.020 ( -2.068 3.003 -4.792) 6.021 8.188 ( -1.223 -3.042 3.735) 4.970 8.188 ( -1.223 3.042 3.735) 4.970 8.435 ( -9.527 -0.696 0.001) 9.552 8.435 ( -9.527 0.696 0.001) 9.552 8.671 ( -1.893 -1.758 -0.143) 2.588 8.671 ( -1.893 1.758 -0.143) 2.588 8.817 ( 7.735 -2.673 -3.516) 8.907 8.817 ( 7.735 2.673 -3.516) 8.907 8.960 ( -0.412 -3.450 4.279) 5.512 8.960 ( -0.412 3.450 4.279) 5.512 9.153 ( 0.893 -1.888 1.021) 2.325 9.153 ( 0.893 1.888 1.021) 2.325 9.219 ( 2.777 -1.173 1.122) 3.217 9.219 ( 2.777 1.173 1.122) 3.217 9.400 ( -3.994 -2.413 -2.385) 5.241 9.400 ( -3.994 2.413 -2.385) 5.241 9.537 ( 3.521 -7.654 -2.852) 8.895 9.537 ( 3.521 7.654 -2.852) 8.895 9.785 ( -2.180 -3.023 2.475) 4.474 9.785 ( -2.180 3.023 2.475) 4.474 9.923 ( 0.749 -5.158 -0.093) 5.213 9.923 ( 0.749 5.158 -0.093) 5.213 10.068 ( -4.940 -4.123 0.089) 6.435 10.068 ( -4.940 4.123 0.089) 6.435 10.345 ( 2.602 -2.732 3.456) 5.117 10.345 ( 2.602 2.732 3.456) 5.117 10.468 ( 2.328 -2.438 -5.821) 6.726 10.468 ( 2.328 2.438 -5.821) 6.726 10.648 ( 1.437 -6.126 -1.779) 6.539 10.648 ( 1.437 6.126 -1.779) 6.539 10.929 ( 1.597 -4.425 -6.512) 8.034 10.929 ( 1.597 4.425 -6.512) 8.034 11.084 ( 1.093 -9.266 0.643) 9.353 11.084 ( 1.093 9.266 0.643) 9.353 11.374 ( 3.711 -8.440 -2.028) 9.440 11.374 ( 3.711 8.440 -2.028) 9.440 12.066 ( 0.245 -3.810 3.733) 5.340 12.066 ( 0.245 3.810 3.733) 5.340 12.278 ( 0.453 -2.693 -1.437) 3.086 12.278 ( 0.453 2.693 -1.437) 3.086 12.740 ( -1.359 -4.768 2.465) 5.537 12.740 ( -1.359 4.768 2.465) 5.537 13.194 ( 4.940 -1.470 -1.387) 5.338 13.194 ( 4.940 1.470 -1.387) 5.338 13.648 ( 0.460 -0.969 0.680) 1.270 13.648 ( 0.460 0.969 0.680) 1.270 13.768 ( 0.671 -2.052 1.054) 2.403 13.768 ( 0.671 2.052 1.054) 2.403 ======================= Grid point 75 (40/84) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 4.083 -5.123 -7.250) 9.772 1.469 ( 4.083 5.123 -7.250) 9.772 1.531 ( -3.521 -5.638 4.125) 7.823 1.531 ( -3.521 5.638 4.125) 7.823 1.922 ( -10.891 -10.040 -2.680) 15.053 1.922 ( -10.891 10.040 -2.680) 15.053 2.445 ( 1.807 -7.160 -6.246) 9.672 2.445 ( 1.807 7.160 -6.246) 9.672 2.587 ( 2.519 -2.738 -3.022) 4.793 2.587 ( 2.519 2.738 -3.022) 4.793 2.748 ( 2.516 -8.316 3.186) 9.254 2.748 ( 2.516 8.316 3.186) 9.254 2.855 ( -0.382 -4.861 -0.552) 4.907 2.855 ( -0.382 4.861 -0.552) 4.907 2.948 ( 4.734 -5.138 -2.363) 7.375 2.948 ( 4.734 5.138 -2.363) 7.375 3.123 ( -1.922 -8.935 -2.058) 9.368 3.123 ( -1.922 8.935 -2.058) 9.368 3.408 ( 0.516 -6.031 1.339) 6.200 3.408 ( 0.516 6.031 1.339) 6.200 3.440 ( 1.046 -6.714 4.455) 8.125 3.440 ( 1.047 6.714 4.455) 8.125 3.531 ( 0.384 -7.485 -1.561) 7.656 3.531 ( 0.384 7.485 -1.561) 7.656 3.722 ( 5.237 -0.264 3.416) 6.259 3.722 ( 5.237 0.264 3.416) 6.259 3.904 ( 2.725 -1.576 2.892) 4.275 3.904 ( 2.725 1.576 2.892) 4.275 4.036 ( -5.667 -0.878 1.777) 6.003 4.036 ( -5.667 0.878 1.777) 6.003 4.214 ( 0.193 -3.080 -4.653) 5.583 4.214 ( 0.193 3.080 -4.653) 5.583 4.493 ( -3.872 -6.115 4.009) 8.274 4.493 ( -3.872 6.115 4.009) 8.274 4.712 ( 2.066 -4.382 2.329) 5.376 4.712 ( 2.066 4.382 2.329) 5.376 4.934 ( -1.895 -5.138 -2.090) 5.862 4.934 ( -1.895 5.138 -2.090) 5.862 4.968 ( -0.827 -3.055 0.221) 3.172 4.968 ( -0.827 3.055 0.221) 3.172 5.129 ( -1.074 -1.820 3.010) 3.677 5.129 ( -1.074 1.820 3.010) 3.677 5.251 ( 0.770 -2.311 -1.646) 2.940 5.251 ( 0.770 2.311 -1.646) 2.940 5.395 ( -3.591 -2.788 -1.357) 4.744 5.395 ( -3.591 2.788 -1.357) 4.744 5.470 ( -0.208 -3.719 3.181) 4.898 5.470 ( -0.208 3.719 3.181) 4.898 5.762 ( -2.120 -3.307 -1.076) 4.073 5.762 ( -2.120 3.307 -1.076) 4.073 5.793 ( -0.933 -1.991 -4.011) 4.574 5.793 ( -0.933 1.991 -4.011) 4.574 5.962 ( -0.617 -2.871 0.251) 2.947 5.962 ( -0.617 2.871 0.251) 2.947 6.124 ( -3.561 -3.427 1.165) 5.078 6.124 ( -3.561 3.427 1.165) 5.078 6.254 ( -4.354 -2.060 -3.006) 5.678 6.254 ( -4.354 2.060 -3.006) 5.678 6.581 ( -8.779 -1.526 -2.596) 9.281 6.581 ( -8.779 1.526 -2.596) 9.281 6.702 ( -3.749 -3.644 1.076) 5.337 6.702 ( -3.749 3.644 1.076) 5.337 6.894 ( -5.514 -5.285 4.289) 8.760 6.894 ( -5.514 5.285 4.289) 8.760 7.218 ( -9.090 -1.813 0.174) 9.271 7.218 ( -9.090 1.813 0.174) 9.271 7.460 ( -4.418 -5.892 1.177) 7.458 7.460 ( -4.418 5.892 1.177) 7.458 7.787 ( -9.777 -7.218 3.280) 12.588 7.787 ( -9.777 7.218 3.280) 12.588 7.927 ( -8.333 -0.516 -2.438) 8.698 7.927 ( -8.333 0.516 -2.438) 8.698 8.157 ( -1.691 -6.719 1.848) 7.171 8.157 ( -1.691 6.719 1.848) 7.171 8.258 ( -6.154 -0.639 3.401) 7.060 8.258 ( -6.154 0.639 3.401) 7.060 8.602 ( -3.587 -7.168 -0.620) 8.039 8.602 ( -3.587 7.168 -0.620) 8.039 8.872 ( -9.259 -8.240 -2.435) 12.631 8.872 ( -9.259 8.240 -2.435) 12.631 8.964 ( 5.018 -3.498 -0.389) 6.129 8.964 ( 5.018 3.498 -0.389) 6.129 9.132 ( -1.135 -2.465 -2.583) 3.746 9.132 ( -1.135 2.465 -2.583) 3.746 9.265 ( -0.379 -0.637 2.887) 2.980 9.265 ( -0.379 0.637 2.887) 2.980 9.392 ( 3.743 -4.502 0.089) 5.856 9.392 ( 3.743 4.502 0.089) 5.856 9.612 ( 2.958 -6.673 1.000) 7.367 9.612 ( 2.958 6.673 1.000) 7.367 9.760 ( -0.761 -2.068 1.167) 2.494 9.760 ( -0.761 2.068 1.167) 2.494 9.926 ( -0.050 -1.702 1.132) 2.045 9.926 ( -0.050 1.702 1.132) 2.045 10.021 ( 1.681 -4.306 -0.531) 4.653 10.021 ( 1.681 4.306 -0.531) 4.653 10.400 ( 2.488 -4.051 3.060) 5.654 10.400 ( 2.488 4.051 3.060) 5.654 10.504 ( 1.373 -3.244 -3.459) 4.937 10.504 ( 1.373 3.244 -3.459) 4.937 10.678 ( 2.232 -5.871 -3.001) 6.961 10.678 ( 2.232 5.871 -3.001) 6.961 10.952 ( 0.992 -1.884 -8.678) 8.936 10.952 ( 0.992 1.884 -8.678) 8.936 11.209 ( 9.487 -8.027 1.422) 12.508 11.209 ( 9.487 8.027 1.422) 12.508 11.476 ( 5.599 -7.262 -3.014) 9.653 11.476 ( 5.599 7.262 -3.014) 9.653 12.082 ( 0.871 -2.633 4.012) 4.877 12.082 ( 0.871 2.633 4.012) 4.877 12.297 ( 1.541 -1.775 -1.819) 2.973 12.297 ( 1.541 1.775 -1.819) 2.973 12.735 ( 0.837 -8.745 1.812) 8.970 12.735 ( 0.837 8.745 1.812) 8.970 13.322 ( 7.418 -0.861 0.854) 7.517 13.322 ( 7.418 0.861 0.854) 7.517 13.664 ( 1.132 -0.852 0.686) 1.574 13.664 ( 1.132 0.852 0.686) 1.574 13.792 ( 1.722 -1.952 1.352) 2.933 13.792 ( 1.722 1.952 1.352) 2.933 ======================= Grid point 77 (41/84) ======================= q-point: (-0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -7.002 -14.538 3.491) 16.509 1.327 ( -7.002 14.538 3.491) 16.509 1.482 ( -12.469 -9.041 0.888) 15.428 1.482 ( -12.469 9.041 0.888) 15.428 1.911 ( 10.754 -1.700 -0.837) 10.920 1.911 ( 10.754 1.700 -0.837) 10.920 2.468 ( -4.087 -7.857 -1.284) 8.949 2.468 ( -4.087 7.857 -1.284) 8.949 2.588 ( 0.118 -7.450 -12.741) 14.759 2.588 ( 0.118 7.450 -12.741) 14.759 2.733 ( -2.168 -6.927 2.833) 7.792 2.733 ( -2.168 6.927 2.833) 7.792 2.874 ( 2.699 -12.150 -2.302) 12.657 2.874 ( 2.699 12.150 -2.302) 12.657 3.015 ( -1.939 -7.547 -3.115) 8.391 3.015 ( -1.939 7.547 -3.115) 8.391 3.092 ( 0.445 -2.340 5.023) 5.559 3.092 ( 0.445 2.340 5.023) 5.559 3.321 ( -3.429 -5.032 -1.127) 6.193 3.321 ( -3.429 5.032 -1.127) 6.193 3.451 ( 3.634 -7.992 -1.356) 8.884 3.451 ( 3.634 7.992 -1.356) 8.884 3.683 ( 7.180 -3.218 1.582) 8.026 3.683 ( 7.180 3.218 1.582) 8.026 3.776 ( -0.922 -3.023 4.872) 5.807 3.776 ( -0.922 3.023 4.872) 5.807 3.944 ( 2.809 -1.187 1.463) 3.382 3.944 ( 2.809 1.187 1.463) 3.382 4.091 ( 8.157 -1.930 1.227) 8.472 4.091 ( 8.157 1.930 1.227) 8.472 4.213 ( -0.496 -2.867 -4.900) 5.699 4.213 ( -0.496 2.867 -4.900) 5.699 4.407 ( -3.588 -3.090 5.669) 7.386 4.407 ( -3.588 3.090 5.669) 7.386 4.712 ( -3.499 -4.130 -1.831) 5.714 4.712 ( -3.499 4.130 -1.831) 5.714 4.815 ( -5.970 -3.454 0.799) 6.944 4.815 ( -5.970 3.454 0.799) 6.944 4.944 ( -2.390 -1.025 1.452) 2.978 4.944 ( -2.390 1.025 1.452) 2.978 5.108 ( -2.593 -1.273 1.864) 3.438 5.108 ( -2.593 1.273 1.864) 3.438 5.234 ( -0.656 -2.785 -1.704) 3.331 5.234 ( -0.656 2.785 -1.704) 3.331 5.310 ( -4.261 -5.246 -2.617) 7.247 5.310 ( -4.261 5.246 -2.617) 7.247 5.486 ( 0.342 -0.919 2.890) 3.052 5.486 ( 0.342 0.919 2.890) 3.052 5.718 ( -2.516 -2.448 0.013) 3.511 5.718 ( -2.516 2.448 0.013) 3.511 5.794 ( 0.579 -3.657 -3.518) 5.107 5.794 ( 0.579 3.657 -3.518) 5.107 5.933 ( -2.230 -3.212 -0.239) 3.918 5.933 ( -2.230 3.212 -0.239) 3.918 6.030 ( -5.198 -2.723 1.749) 6.123 6.030 ( -5.198 2.723 1.749) 6.123 6.143 ( -5.184 -5.636 -3.448) 8.398 6.143 ( -5.184 5.636 -3.448) 8.398 6.385 ( -9.236 -1.272 -3.103) 9.826 6.385 ( -9.236 1.272 -3.103) 9.826 6.611 ( -4.957 -2.548 4.383) 7.091 6.611 ( -4.957 2.548 4.383) 7.091 6.798 ( -2.714 -7.150 -2.204) 7.959 6.798 ( -2.714 7.150 -2.204) 7.959 7.083 ( -4.359 -4.423 3.080) 6.932 7.083 ( -4.359 4.423 3.080) 6.932 7.359 ( -5.958 -5.202 1.093) 7.984 7.359 ( -5.958 5.202 1.093) 7.984 7.571 ( -10.220 -4.755 3.500) 11.803 7.571 ( -10.220 4.755 3.500) 11.803 7.725 ( -10.054 -3.266 -4.235) 11.388 7.725 ( -10.054 3.266 -4.235) 11.388 8.114 ( -2.861 -6.651 2.824) 7.771 8.114 ( -2.861 6.651 2.824) 7.771 8.161 ( -4.424 -1.437 3.309) 5.709 8.161 ( -4.424 1.437 3.309) 5.709 8.539 ( -3.966 -8.925 -2.718) 10.138 8.539 ( -3.966 8.925 -2.718) 10.138 8.642 ( -9.781 -7.615 -2.548) 12.655 8.642 ( -9.781 7.615 -2.548) 12.655 8.978 ( -4.612 -4.534 -1.327) 6.602 8.978 ( -4.612 4.534 -1.327) 6.602 9.108 ( 0.357 -0.836 0.034) 0.910 9.108 ( 0.357 0.836 0.034) 0.910 9.282 ( 1.118 -1.190 -2.319) 2.836 9.282 ( 1.118 1.190 -2.319) 2.836 9.457 ( 2.286 -5.706 3.015) 6.847 9.457 ( 2.286 5.706 3.015) 6.847 9.630 ( -1.266 -4.207 4.002) 5.942 9.630 ( -1.266 4.207 4.002) 5.942 9.758 ( 2.098 -1.590 -1.187) 2.888 9.758 ( 2.098 1.590 -1.187) 2.888 9.969 ( 1.953 -2.522 5.332) 6.213 9.969 ( 1.953 2.522 5.332) 6.213 10.096 ( 5.527 -5.033 -1.373) 7.600 10.096 ( 5.527 5.033 -1.373) 7.600 10.441 ( 1.371 -3.879 2.178) 4.655 10.441 ( 1.371 3.879 2.178) 4.655 10.540 ( 2.282 -3.415 -0.715) 4.170 10.540 ( 2.282 3.415 -0.715) 4.170 10.731 ( 2.861 -3.417 -4.426) 6.281 10.731 ( 2.861 3.417 -4.426) 6.281 10.983 ( 2.280 -4.525 -8.703) 10.070 10.983 ( 2.280 4.525 -8.703) 10.070 11.403 ( 8.671 -6.155 -0.021) 10.633 11.403 ( 8.671 6.155 -0.021) 10.633 11.575 ( 3.765 -5.011 -4.339) 7.623 11.575 ( 3.765 5.011 -4.339) 7.623 12.097 ( 0.679 -2.160 3.884) 4.496 12.097 ( 0.679 2.160 3.884) 4.496 12.339 ( 2.394 -1.675 -1.846) 3.456 12.339 ( 2.394 1.675 -1.846) 3.456 12.770 ( 2.307 -12.282 2.712) 12.788 12.770 ( 2.307 12.282 2.712) 12.788 13.482 ( 7.581 -2.180 2.046) 8.150 13.482 ( 7.581 2.180 2.046) 8.150 13.695 ( 1.956 -0.851 0.843) 2.293 13.695 ( 1.956 0.851 0.843) 2.293 13.844 ( 3.571 -1.416 1.508) 4.127 13.844 ( 3.571 1.416 1.508) 4.127 ======================= Grid point 79 (42/84) ======================= q-point: (-0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -9.363 -19.185 1.902) 21.432 1.187 ( -9.363 19.185 1.902) 21.432 1.271 ( -3.521 -16.265 9.899) 19.363 1.271 ( -3.521 16.265 9.899) 19.363 2.142 ( 9.618 -5.226 -3.039) 11.360 2.142 ( 9.618 5.226 -3.039) 11.360 2.252 ( -12.063 -25.631 5.353) 28.829 2.252 ( -12.063 25.631 5.353) 28.829 2.624 ( -0.457 -4.800 -8.946) 10.163 2.624 ( -0.457 4.800 -8.946) 10.163 2.662 ( -1.254 -7.274 -5.544) 9.232 2.662 ( -1.254 7.274 -5.544) 9.232 2.899 ( -3.185 -5.264 -1.890) 6.436 2.899 ( -3.185 5.264 -1.890) 6.436 3.005 ( 4.521 -5.584 -2.067) 7.477 3.005 ( 4.521 5.584 -2.067) 7.477 3.125 ( -0.518 -3.728 3.135) 4.898 3.125 ( -0.518 3.728 3.135) 4.898 3.332 ( 6.357 -5.626 -1.807) 8.679 3.332 ( 6.357 5.626 -1.807) 8.679 3.516 ( 0.553 -7.960 -1.258) 8.078 3.516 ( 0.553 7.960 -1.258) 8.078 3.728 ( -1.494 -6.581 1.923) 7.017 3.728 ( -1.494 6.581 1.923) 7.017 3.789 ( 2.268 -4.265 1.251) 4.990 3.789 ( 2.268 4.265 1.251) 4.990 4.045 ( 4.737 -3.530 -0.465) 5.926 4.045 ( 4.737 3.530 -0.465) 5.926 4.149 ( -2.963 -0.605 -4.489) 5.412 4.149 ( -2.963 0.605 -4.489) 5.412 4.211 ( 1.105 -8.139 -0.339) 8.221 4.211 ( 1.105 8.139 -0.339) 8.221 4.394 ( 1.310 -2.524 10.571) 10.946 4.394 ( 1.310 2.524 10.571) 10.946 4.611 ( -3.231 -1.259 -2.467) 4.255 4.611 ( -3.231 1.259 -2.467) 4.255 4.708 ( -5.803 -3.421 0.110) 6.738 4.708 ( -5.803 3.421 0.110) 6.738 4.915 ( 0.261 -1.202 3.117) 3.351 4.915 ( 0.261 1.202 3.117) 3.351 5.000 ( -6.485 -3.459 -0.321) 7.357 5.000 ( -6.485 3.459 -0.321) 7.357 5.220 ( -3.691 -4.066 3.858) 6.712 5.220 ( -3.691 4.066 3.858) 6.712 5.271 ( 1.577 -1.007 -3.962) 4.382 5.271 ( 1.577 1.007 -3.962) 4.382 5.456 ( -2.083 -0.421 -2.605) 3.362 5.456 ( -2.083 0.421 -2.605) 3.362 5.662 ( -1.794 -1.734 0.448) 2.535 5.662 ( -1.794 1.734 0.448) 2.535 5.775 ( -2.281 -2.498 0.923) 3.506 5.775 ( -2.281 2.498 0.923) 3.506 5.886 ( -1.875 -1.266 0.481) 2.313 5.886 ( -1.875 1.266 0.481) 2.313 5.974 ( -0.423 -4.460 -3.694) 5.807 5.974 ( -0.423 4.460 -3.694) 5.807 6.063 ( -2.749 -3.289 -2.437) 4.931 6.063 ( -2.749 3.289 -2.437) 4.931 6.246 ( -3.964 -1.590 -4.062) 5.895 6.246 ( -3.964 1.590 -4.062) 5.895 6.533 ( -2.275 -2.293 6.622) 7.368 6.533 ( -2.275 2.293 6.622) 7.368 6.796 ( 1.869 -8.493 -3.867) 9.517 6.796 ( 1.869 8.493 -3.867) 9.517 7.021 ( -1.914 -5.017 1.974) 5.721 7.021 ( -1.914 5.017 1.974) 5.721 7.201 ( -8.712 -1.815 0.835) 8.938 7.201 ( -8.712 1.815 0.835) 8.938 7.431 ( -3.293 -1.614 2.954) 4.709 7.431 ( -3.293 1.614 2.954) 4.709 7.544 ( -7.327 -4.611 -3.306) 9.267 7.544 ( -7.327 4.611 -3.306) 9.267 7.995 ( -8.005 -5.597 2.142) 10.000 7.995 ( -8.005 5.597 2.142) 10.000 8.109 ( -0.919 -1.885 3.791) 4.333 8.109 ( -0.919 1.885 3.791) 4.333 8.398 ( -5.627 -4.040 -2.322) 7.306 8.398 ( -5.627 4.040 -2.322) 7.306 8.582 ( 0.530 -9.417 -0.522) 9.447 8.582 ( 0.530 9.417 -0.522) 9.447 8.833 ( -7.997 -4.597 -3.873) 10.004 8.833 ( -7.997 4.597 -3.873) 10.004 9.124 ( 0.408 -1.630 0.740) 1.837 9.124 ( 0.408 1.630 0.740) 1.837 9.285 ( -0.111 -1.716 -4.085) 4.432 9.285 ( -0.111 1.716 -4.085) 4.432 9.504 ( 2.089 -4.489 4.265) 6.535 9.504 ( 2.089 4.489 4.265) 6.535 9.601 ( -1.041 -3.501 2.495) 4.423 9.601 ( -1.041 3.501 2.495) 4.423 9.821 ( 3.141 -3.597 2.766) 5.518 9.821 ( 3.141 3.597 2.766) 5.518 9.985 ( 0.009 -3.276 5.164) 6.116 9.985 ( 0.009 3.276 5.164) 6.116 10.209 ( 4.570 -6.163 -1.235) 7.771 10.209 ( 4.570 6.163 -1.235) 7.771 10.451 ( -0.621 -2.225 2.664) 3.526 10.451 ( -0.621 2.225 2.664) 3.526 10.583 ( 1.643 -2.518 -0.017) 3.007 10.583 ( 1.643 2.518 -0.017) 3.007 10.792 ( 3.150 -1.634 -4.189) 5.490 10.792 ( 3.150 1.634 -4.189) 5.490 11.037 ( 3.220 -3.799 -8.693) 10.019 11.037 ( 3.220 3.799 -8.693) 10.019 11.540 ( 4.393 -2.715 -1.621) 5.412 11.540 ( 4.393 2.715 -1.621) 5.412 11.615 ( 0.358 -2.082 -4.746) 5.195 11.615 ( 0.358 2.082 -4.746) 5.195 12.124 ( 2.218 -2.432 2.448) 4.102 12.124 ( 2.218 2.432 2.448) 4.102 12.381 ( 1.585 -1.787 -0.679) 2.483 12.381 ( 1.585 1.787 -0.679) 2.483 12.816 ( 1.657 -13.878 4.044) 14.550 12.816 ( 1.657 13.878 4.044) 14.550 13.596 ( 3.231 -2.913 1.814) 4.713 13.596 ( 3.231 2.913 1.814) 4.713 13.739 ( 1.949 -1.196 1.531) 2.753 13.739 ( 1.949 1.196 1.531) 2.753 13.945 ( 5.657 -1.164 0.348) 5.786 13.945 ( 5.657 1.164 0.348) 5.786 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 1.402 0.000 23.751) 23.792 1.107 ( 2.557 0.000 27.151) 27.272 1.369 ( -7.383 0.000 17.573) 19.061 1.874 ( 1.853 0.000 -8.391) 8.593 2.038 ( -1.115 0.000 -14.085) 14.129 2.120 ( 8.590 0.000 1.496) 8.719 2.189 ( -0.399 0.000 14.233) 14.239 2.204 ( 4.103 0.000 -17.760) 18.228 2.359 ( -3.053 0.000 5.050) 5.901 2.404 ( -5.495 0.000 -2.432) 6.009 2.412 ( -2.427 0.000 -0.387) 2.457 2.594 ( -2.231 0.000 -0.188) 2.239 2.808 ( -0.605 0.000 -12.083) 12.098 2.878 ( 4.618 0.000 -6.385) 7.879 2.912 ( -0.850 0.000 -6.767) 6.820 3.095 ( -2.438 0.000 -9.753) 10.053 3.112 ( 2.803 0.000 1.506) 3.182 3.242 ( -2.059 0.000 -0.828) 2.219 3.344 ( -3.667 0.000 2.885) 4.666 3.457 ( 6.319 0.000 -0.406) 6.332 3.509 ( 4.035 0.000 4.411) 5.978 3.622 ( -4.937 0.000 -6.539) 8.194 3.694 ( -3.373 0.000 -2.320) 4.094 3.739 ( 0.603 0.000 -3.895) 3.941 3.821 ( 2.984 0.000 -0.757) 3.079 3.881 ( 3.918 0.000 3.887) 5.519 3.965 ( -5.073 0.000 -0.453) 5.093 3.974 ( 0.615 0.000 -1.201) 1.349 4.161 ( 2.566 0.000 8.377) 8.762 4.217 ( -7.531 0.000 -0.167) 7.533 4.274 ( 2.839 0.000 -1.652) 3.285 4.328 ( -5.585 0.000 4.055) 6.902 4.347 ( -2.243 0.000 -1.747) 2.844 4.480 ( 1.689 0.000 -0.918) 1.922 4.565 ( -1.478 0.000 5.491) 5.686 4.668 ( -0.905 0.000 1.349) 1.624 4.691 ( 1.484 0.000 -0.633) 1.613 4.763 ( -1.177 0.000 -0.659) 1.349 4.819 ( 1.538 0.000 10.140) 10.256 4.905 ( 4.577 0.000 0.925) 4.669 4.968 ( 4.476 0.000 0.046) 4.476 5.118 ( -5.416 0.000 -1.765) 5.696 5.150 ( 5.725 0.000 -0.597) 5.756 5.220 ( -1.224 0.000 -0.813) 1.470 5.282 ( 3.698 0.000 0.406) 3.721 5.328 ( 2.577 0.000 -1.535) 2.999 5.346 ( -4.941 0.000 0.257) 4.948 5.364 ( -0.396 0.000 -3.691) 3.712 5.491 ( -0.576 0.000 7.678) 7.700 5.563 ( -0.162 0.000 -1.751) 1.759 5.688 ( -0.320 0.000 -0.145) 0.352 5.811 ( 0.606 0.000 4.152) 4.196 5.816 ( -1.048 0.000 5.171) 5.276 5.840 ( -1.482 0.000 -4.304) 4.552 5.906 ( -0.391 0.000 1.016) 1.089 5.937 ( 0.133 0.000 -0.582) 0.597 5.993 ( 2.081 0.000 -5.095) 5.504 6.006 ( -0.059 0.000 -3.608) 3.609 6.076 ( -1.132 0.000 -5.404) 5.521 6.106 ( 0.771 0.000 -6.369) 6.416 6.520 ( -1.765 0.000 3.856) 4.241 6.722 ( 0.809 0.000 -2.277) 2.416 6.814 ( 1.386 0.000 10.798) 10.887 6.916 ( 0.967 0.000 6.076) 6.153 7.031 ( 0.223 0.000 0.697) 0.731 7.068 ( -0.905 0.000 -1.461) 1.718 7.142 ( 2.896 0.000 -3.519) 4.557 7.195 ( -2.243 0.000 -2.570) 3.411 7.249 ( 2.806 0.000 3.359) 4.377 7.379 ( -0.387 0.000 0.322) 0.503 7.538 ( 3.786 0.000 -5.184) 6.420 7.558 ( -4.855 0.000 1.520) 5.087 7.656 ( -1.318 0.000 -3.498) 3.738 7.823 ( 2.476 0.000 -6.506) 6.961 8.126 ( 2.837 0.000 5.099) 5.835 8.191 ( -2.454 0.000 1.303) 2.779 8.297 ( -0.251 0.000 5.606) 5.612 8.479 ( -1.654 0.000 -5.045) 5.309 8.615 ( 1.436 0.000 7.098) 7.242 8.663 ( 4.154 0.000 3.801) 5.631 8.719 ( -5.385 0.000 2.797) 6.068 8.862 ( 0.564 0.000 -4.634) 4.668 8.907 ( -2.059 0.000 -5.879) 6.229 9.032 ( 0.066 0.000 -6.852) 6.853 9.242 ( 0.760 0.000 -1.469) 1.654 9.249 ( -1.048 0.000 -0.484) 1.154 9.478 ( 0.947 0.000 0.964) 1.351 9.508 ( -1.492 0.000 0.324) 1.527 9.690 ( -0.828 0.000 1.126) 1.398 9.710 ( 3.083 0.000 1.962) 3.655 9.866 ( 2.024 0.000 6.076) 6.404 9.939 ( -1.212 0.000 11.394) 11.458 10.087 ( 0.281 0.000 2.803) 2.817 10.173 ( -0.268 0.000 0.432) 0.508 10.291 ( -1.539 0.000 6.708) 6.882 10.321 ( -2.030 0.000 -7.984) 8.238 10.442 ( 0.076 0.000 2.151) 2.153 10.474 ( -3.426 0.000 1.830) 3.884 10.572 ( 1.959 0.000 -5.093) 5.457 10.705 ( 4.472 0.000 -6.620) 7.989 10.714 ( 0.247 0.000 -2.110) 2.124 10.780 ( -1.098 0.000 -1.323) 1.719 10.993 ( -2.139 0.000 -3.721) 4.292 11.098 ( 3.433 0.000 -13.885) 14.303 11.444 ( 2.668 0.000 1.039) 2.863 11.507 ( -1.314 0.000 -1.707) 2.154 11.593 ( -5.149 0.000 1.343) 5.322 11.652 ( 11.521 0.000 -1.385) 11.604 12.023 ( -6.154 0.000 4.450) 7.594 12.104 ( 3.901 0.000 0.351) 3.917 12.404 ( 1.387 0.000 -0.602) 1.512 12.450 ( 1.187 0.000 -2.284) 2.574 12.710 ( 3.769 0.000 11.508) 12.110 13.161 ( -7.642 0.000 -8.249) 11.245 13.534 ( -1.212 0.000 7.833) 7.927 13.731 ( 0.861 0.000 -2.697) 2.831 13.759 ( 0.746 0.000 2.290) 2.409 13.817 ( -2.323 0.000 -0.671) 2.418 13.833 ( -1.047 0.000 4.300) 4.425 14.011 ( -0.841 0.000 -3.880) 3.970 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -7.659 0.000 25.340) 26.472 1.167 ( 12.789 0.000 20.150) 23.866 1.520 ( 9.303 0.000 4.891) 10.511 1.876 ( -1.550 0.000 -14.649) 14.731 2.072 ( 4.279 0.000 -14.438) 15.059 2.104 ( -9.915 0.000 9.813) 13.950 2.194 ( -2.661 0.000 -15.240) 15.471 2.224 ( 3.785 0.000 12.720) 13.271 2.310 ( 0.981 0.000 -2.654) 2.830 2.427 ( 4.609 0.000 6.518) 7.983 2.458 ( 3.043 0.000 2.675) 4.051 2.623 ( 5.230 0.000 3.242) 6.153 2.768 ( -6.914 0.000 -10.508) 12.578 2.822 ( -4.624 0.000 -0.123) 4.626 2.953 ( 7.043 0.000 -11.839) 13.776 3.091 ( 1.970 0.000 -3.585) 4.090 3.092 ( -6.191 0.000 -3.550) 7.136 3.192 ( -2.058 0.000 -1.055) 2.313 3.278 ( -2.472 0.000 0.448) 2.512 3.474 ( -1.358 0.000 -1.442) 1.981 3.552 ( -1.587 0.000 -2.395) 2.873 3.577 ( 3.140 0.000 2.516) 4.024 3.712 ( -0.719 0.000 0.364) 0.806 3.727 ( -0.835 0.000 -5.511) 5.573 3.815 ( -1.602 0.000 -4.465) 4.744 3.926 ( -4.785 0.000 -6.212) 7.841 3.987 ( -1.278 0.000 11.065) 11.139 3.989 ( 7.870 0.000 4.582) 9.106 4.108 ( 3.757 0.000 2.081) 4.295 4.190 ( -1.505 0.000 4.088) 4.356 4.295 ( -3.364 0.000 -4.793) 5.856 4.307 ( 4.217 0.000 3.291) 5.349 4.373 ( 5.180 0.000 0.205) 5.184 4.521 ( 1.743 0.000 3.302) 3.734 4.575 ( 1.021 0.000 2.400) 2.609 4.644 ( -1.883 0.000 0.210) 1.894 4.722 ( 2.518 0.000 -1.407) 2.884 4.755 ( 1.260 0.000 2.285) 2.609 4.862 ( 2.386 0.000 7.075) 7.467 4.980 ( -6.962 0.000 -4.103) 8.082 5.047 ( 6.342 0.000 0.786) 6.391 5.077 ( 4.329 0.000 4.302) 6.103 5.193 ( -0.883 0.000 -3.411) 3.523 5.212 ( -4.412 0.000 2.775) 5.212 5.255 ( 2.865 0.000 -1.401) 3.190 5.325 ( -2.829 0.000 -0.742) 2.925 5.409 ( 6.947 0.000 -5.347) 8.766 5.410 ( 5.522 0.000 -1.636) 5.759 5.488 ( 1.101 0.000 4.927) 5.048 5.582 ( 1.251 0.000 -2.880) 3.139 5.690 ( 0.239 0.000 0.750) 0.787 5.805 ( -0.219 0.000 -0.781) 0.811 5.806 ( -1.853 0.000 4.799) 5.144 5.858 ( 4.300 0.000 2.832) 5.149 5.912 ( -0.112 0.000 0.533) 0.545 5.972 ( 4.151 0.000 -0.034) 4.151 6.043 ( 1.950 0.000 -4.077) 4.520 6.047 ( 5.375 0.000 -4.754) 7.175 6.144 ( 3.689 0.000 -7.015) 7.926 6.165 ( 11.215 0.000 -3.052) 11.623 6.501 ( 0.207 0.000 3.175) 3.181 6.729 ( 0.952 0.000 -0.787) 1.235 6.893 ( 4.793 0.000 7.691) 9.062 6.963 ( 3.631 0.000 9.884) 10.530 7.068 ( 1.423 0.000 -2.004) 2.458 7.146 ( 8.602 0.000 -1.258) 8.694 7.213 ( 3.299 0.000 -0.155) 3.303 7.258 ( 8.720 0.000 -2.939) 9.202 7.406 ( 3.436 0.000 -2.399) 4.190 7.451 ( 13.657 0.000 -4.661) 14.431 7.509 ( 0.261 0.000 5.155) 5.162 7.673 ( 3.413 0.000 -0.872) 3.522 7.701 ( 11.697 0.000 -4.321) 12.469 7.915 ( 6.240 0.000 -6.395) 8.936 8.147 ( -0.972 0.000 1.329) 1.646 8.174 ( 0.841 0.000 6.539) 6.593 8.291 ( -0.529 0.000 2.389) 2.446 8.484 ( 1.842 0.000 -2.488) 3.096 8.632 ( -2.629 0.000 2.228) 3.446 8.746 ( 10.609 0.000 5.213) 11.821 8.748 ( 3.451 0.000 -1.329) 3.698 8.877 ( -0.951 0.000 -4.903) 4.995 8.891 ( 2.764 0.000 -1.904) 3.356 9.068 ( 3.493 0.000 -5.807) 6.777 9.228 ( -0.910 0.000 0.445) 1.013 9.258 ( 0.530 0.000 -2.211) 2.274 9.485 ( -0.224 0.000 2.125) 2.137 9.492 ( 0.050 0.000 -1.177) 1.178 9.664 ( -1.619 0.000 0.988) 1.897 9.759 ( 1.013 0.000 -1.348) 1.686 9.881 ( -0.597 0.000 8.156) 8.178 9.902 ( -2.638 0.000 10.298) 10.631 10.080 ( -0.344 0.000 4.837) 4.849 10.146 ( -2.017 0.000 -1.303) 2.402 10.239 ( -3.683 0.000 3.806) 5.296 10.261 ( -3.405 0.000 -7.008) 7.791 10.380 ( -5.658 0.000 6.740) 8.800 10.411 ( -3.147 0.000 1.620) 3.540 10.563 ( -2.540 0.000 -4.823) 5.451 10.714 ( -0.353 0.000 -5.840) 5.850 10.725 ( -2.941 0.000 -11.293) 11.670 10.765 ( 0.028 0.000 3.643) 3.644 10.903 ( -5.571 0.000 -2.378) 6.057 11.131 ( -0.063 0.000 -11.878) 11.878 11.439 ( -5.008 0.000 -1.990) 5.389 11.462 ( -1.975 0.000 -0.415) 2.018 11.479 ( -5.008 0.000 -0.444) 5.028 11.847 ( 5.878 0.000 -5.542) 8.079 11.925 ( -3.306 0.000 4.058) 5.234 12.244 ( 9.885 0.000 -1.923) 10.071 12.438 ( 2.131 0.000 -0.996) 2.352 12.460 ( -0.103 0.000 -1.461) 1.464 12.743 ( -0.238 0.000 10.832) 10.835 12.891 ( -17.965 0.000 -3.081) 18.227 13.447 ( -7.474 0.000 9.151) 11.815 13.704 ( -4.281 0.000 -3.064) 5.265 13.760 ( -0.895 0.000 2.589) 2.739 13.763 ( -2.626 0.000 -0.052) 2.626 13.795 ( -2.277 0.000 3.366) 4.063 13.913 ( -6.028 0.000 1.164) 6.139 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 7.890 0.000 10.023) 12.756 1.460 ( 12.220 0.000 10.184) 15.907 1.656 ( 5.874 0.000 -6.434) 8.712 1.772 ( -11.775 0.000 7.365) 13.889 1.836 ( -8.759 0.000 -13.285) 15.913 2.048 ( -10.185 0.000 -2.346) 10.452 2.171 ( 0.758 0.000 -4.440) 4.505 2.311 ( 7.991 0.000 -5.706) 9.819 2.441 ( -3.815 0.000 3.086) 4.907 2.469 ( 9.154 0.000 -6.986) 11.515 2.514 ( 2.773 0.000 5.623) 6.270 2.606 ( -5.960 0.000 -4.491) 7.463 2.705 ( 2.897 0.000 4.070) 4.996 2.878 ( 9.553 0.000 2.605) 9.902 2.997 ( 0.557 0.000 4.705) 4.738 3.059 ( -1.964 0.000 1.117) 2.259 3.104 ( -0.816 0.000 -8.551) 8.589 3.185 ( 0.912 0.000 -5.317) 5.394 3.265 ( 1.587 0.000 -1.675) 2.308 3.401 ( -6.586 0.000 -2.674) 7.108 3.521 ( -2.128 0.000 0.931) 2.323 3.591 ( -2.341 0.000 -0.322) 2.363 3.664 ( -13.440 0.000 6.926) 15.120 3.707 ( 4.374 0.000 3.383) 5.530 3.752 ( 2.695 0.000 -4.962) 5.647 3.833 ( 0.912 0.000 -1.521) 1.774 4.021 ( 1.052 0.000 -0.686) 1.256 4.109 ( 0.306 0.000 1.646) 1.675 4.184 ( 0.666 0.000 -1.521) 1.661 4.206 ( -3.802 0.000 -4.917) 6.215 4.244 ( 7.782 0.000 4.364) 8.922 4.394 ( 2.826 0.000 1.739) 3.318 4.397 ( -3.983 0.000 5.343) 6.664 4.490 ( -5.538 0.000 2.373) 6.025 4.617 ( -1.088 0.000 -2.636) 2.852 4.623 ( 4.512 0.000 1.371) 4.716 4.780 ( -0.465 0.000 0.397) 0.611 4.803 ( 4.973 0.000 0.184) 4.977 4.862 ( 1.499 0.000 1.036) 1.822 4.890 ( 0.169 0.000 3.623) 3.627 5.115 ( 0.108 0.000 4.327) 4.329 5.149 ( 2.374 0.000 1.168) 2.646 5.178 ( 1.956 0.000 1.916) 2.738 5.197 ( 1.239 0.000 -4.997) 5.148 5.286 ( -0.578 0.000 1.431) 1.543 5.370 ( 8.013 0.000 -5.740) 9.857 5.485 ( 0.917 0.000 6.181) 6.249 5.543 ( 5.705 0.000 -5.801) 8.136 5.584 ( 6.837 0.000 0.184) 6.840 5.589 ( -0.618 0.000 -2.191) 2.276 5.703 ( 1.796 0.000 -1.481) 2.328 5.760 ( -1.561 0.000 3.904) 4.205 5.816 ( 1.072 0.000 -0.355) 1.130 5.948 ( 4.087 0.000 -0.033) 4.088 5.965 ( 4.774 0.000 0.527) 4.803 6.074 ( 2.093 0.000 -0.496) 2.151 6.102 ( 7.015 0.000 1.000) 7.086 6.226 ( 11.078 0.000 -4.140) 11.827 6.241 ( 5.380 0.000 -5.520) 7.708 6.441 ( 13.474 0.000 -2.543) 13.712 6.528 ( 2.185 0.000 2.657) 3.440 6.789 ( 4.811 0.000 -3.702) 6.071 6.992 ( 5.258 0.000 8.524) 10.015 7.069 ( 6.627 0.000 10.468) 12.390 7.119 ( 4.249 0.000 -1.635) 4.553 7.284 ( 3.685 0.000 5.913) 6.967 7.328 ( 7.830 0.000 -7.569) 10.891 7.419 ( 5.275 0.000 -2.859) 6.000 7.535 ( 9.143 0.000 -5.954) 10.911 7.562 ( 5.056 0.000 4.472) 6.750 7.727 ( 12.460 0.000 -1.391) 12.537 7.825 ( 11.505 0.000 5.332) 12.680 7.968 ( 13.342 0.000 -1.251) 13.400 8.029 ( 4.514 0.000 -7.854) 9.059 8.169 ( -1.078 0.000 7.010) 7.093 8.204 ( 7.100 0.000 3.204) 7.790 8.294 ( 1.383 0.000 1.072) 1.749 8.534 ( 2.812 0.000 -3.036) 4.138 8.599 ( -1.036 0.000 2.276) 2.500 8.799 ( 2.211 0.000 -2.767) 3.542 8.863 ( -0.286 0.000 -2.919) 2.933 8.981 ( 6.111 0.000 -3.465) 7.025 9.001 ( 13.071 0.000 1.135) 13.121 9.129 ( 0.954 0.000 -4.124) 4.233 9.224 ( 0.989 0.000 3.526) 3.662 9.263 ( 0.412 0.000 -2.010) 2.052 9.462 ( -2.427 0.000 1.755) 2.995 9.487 ( -1.709 0.000 -3.035) 3.483 9.636 ( -1.375 0.000 3.538) 3.795 9.738 ( -2.956 0.000 -2.986) 4.201 9.833 ( -3.882 0.000 6.295) 7.396 9.857 ( -1.141 0.000 6.613) 6.710 10.100 ( 1.998 0.000 6.986) 7.266 10.123 ( 0.605 0.000 -2.093) 2.179 10.134 ( -6.898 0.000 0.551) 6.920 10.188 ( -3.361 0.000 -5.495) 6.442 10.269 ( -4.724 0.000 7.730) 9.060 10.322 ( -5.302 0.000 0.430) 5.319 10.483 ( -4.748 0.000 -2.449) 5.342 10.626 ( -6.224 0.000 -9.800) 11.609 10.687 ( -2.603 0.000 -8.770) 9.148 10.730 ( -3.828 0.000 2.192) 4.411 10.790 ( -4.905 0.000 0.206) 4.909 11.092 ( -3.132 0.000 -9.356) 9.867 11.321 ( -6.005 0.000 -2.186) 6.391 11.335 ( -7.410 0.000 -1.383) 7.538 11.423 ( -3.213 0.000 -0.633) 3.275 11.892 ( -0.334 0.000 2.411) 2.434 11.903 ( 0.934 0.000 -4.182) 4.285 12.441 ( 6.676 0.000 -5.564) 8.691 12.454 ( -0.138 0.000 0.504) 0.522 12.462 ( -12.273 0.000 -1.146) 12.327 12.540 ( -0.894 0.000 -0.575) 1.063 12.725 ( -1.399 0.000 8.532) 8.646 13.250 ( -11.516 0.000 10.500) 15.584 13.541 ( -10.679 0.000 -2.988) 11.089 13.717 ( -1.761 0.000 0.617) 1.866 13.720 ( -2.488 0.000 2.094) 3.252 13.762 ( -1.182 0.000 2.774) 3.015 13.839 ( -1.756 0.000 1.400) 2.246 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 12.863 0.000 -7.827) 15.057 1.330 ( -17.275 0.000 4.636) 17.886 1.611 ( -6.097 0.000 -10.529) 12.167 1.670 ( -11.796 0.000 2.706) 12.103 1.894 ( 6.419 0.000 -11.907) 13.527 1.934 ( 13.802 0.000 8.910) 16.428 2.220 ( 5.063 0.000 2.032) 5.455 2.366 ( -2.009 0.000 -1.221) 2.351 2.425 ( -0.185 0.000 0.161) 0.246 2.562 ( 0.331 0.000 -2.370) 2.393 2.583 ( 7.511 0.000 -11.968) 14.130 2.612 ( 5.341 0.000 -7.247) 9.003 2.802 ( 5.698 0.000 6.886) 8.938 2.900 ( -14.633 0.000 -2.188) 14.796 2.993 ( -0.821 0.000 -0.650) 1.047 3.013 ( -2.852 0.000 1.604) 3.272 3.127 ( 4.906 0.000 4.900) 6.934 3.152 ( -7.506 0.000 0.102) 7.507 3.239 ( -3.535 0.000 -0.051) 3.536 3.244 ( -4.288 0.000 0.607) 4.331 3.401 ( -7.998 0.000 11.165) 13.734 3.553 ( 3.937 0.000 -5.746) 6.966 3.564 ( -0.982 0.000 -2.428) 2.618 3.819 ( 0.857 0.000 2.530) 2.671 3.861 ( 2.911 0.000 2.917) 4.121 3.907 ( 10.715 0.000 -7.001) 12.800 3.935 ( -8.979 0.000 0.059) 8.979 4.019 ( -0.973 0.000 2.420) 2.608 4.159 ( -3.079 0.000 3.831) 4.915 4.174 ( -0.985 0.000 -4.648) 4.751 4.264 ( -7.596 0.000 4.182) 8.671 4.392 ( -0.856 0.000 3.179) 3.292 4.397 ( -0.406 0.000 -0.365) 0.546 4.427 ( 7.194 0.000 2.152) 7.509 4.616 ( 0.771 0.000 -1.347) 1.552 4.724 ( 4.033 0.000 2.742) 4.877 4.809 ( -4.167 0.000 5.861) 7.191 4.821 ( 3.652 0.000 -1.753) 4.051 4.940 ( 3.973 0.000 0.638) 4.024 4.984 ( 7.734 0.000 -6.764) 10.275 5.122 ( 1.156 0.000 4.036) 4.199 5.169 ( -0.448 0.000 3.001) 3.034 5.208 ( -0.591 0.000 0.863) 1.046 5.225 ( 1.694 0.000 -3.320) 3.727 5.296 ( 0.747 0.000 -0.377) 0.837 5.492 ( 0.562 0.000 6.466) 6.490 5.537 ( 6.616 0.000 -5.185) 8.406 5.563 ( 0.047 0.000 -0.764) 0.765 5.631 ( 2.872 0.000 -4.459) 5.303 5.663 ( 1.631 0.000 3.602) 3.954 5.715 ( -1.014 0.000 -0.350) 1.072 5.821 ( 5.585 0.000 -1.691) 5.835 5.851 ( 2.164 0.000 -1.720) 2.764 6.012 ( 0.368 0.000 -2.717) 2.742 6.047 ( 4.958 0.000 -0.034) 4.959 6.127 ( 2.407 0.000 5.683) 6.171 6.213 ( 3.051 0.000 -1.937) 3.614 6.351 ( 5.457 0.000 0.405) 5.472 6.457 ( 10.603 0.000 -5.128) 11.778 6.581 ( 2.795 0.000 2.226) 3.574 6.635 ( 5.224 0.000 -0.803) 5.285 6.867 ( 1.982 0.000 -6.643) 6.933 7.120 ( 5.798 0.000 9.766) 11.357 7.237 ( 9.156 0.000 10.887) 14.225 7.244 ( 6.542 0.000 -4.770) 8.096 7.354 ( 3.947 0.000 7.834) 8.773 7.463 ( 5.474 0.000 -6.267) 8.321 7.475 ( 1.298 0.000 -4.718) 4.894 7.698 ( 7.340 0.000 6.962) 10.117 7.742 ( 10.329 0.000 -8.518) 13.388 7.956 ( 9.903 0.000 2.706) 10.266 8.075 ( 10.639 0.000 6.812) 12.634 8.116 ( 5.867 0.000 -3.429) 6.796 8.153 ( 0.428 0.000 5.419) 5.436 8.213 ( 8.889 0.000 -1.250) 8.977 8.369 ( 6.088 0.000 1.555) 6.284 8.371 ( 7.584 0.000 0.014) 7.584 8.579 ( -0.948 0.000 0.949) 1.341 8.593 ( 2.883 0.000 -4.074) 4.991 8.860 ( 4.233 0.000 0.710) 4.292 8.875 ( 2.126 0.000 -0.855) 2.291 9.069 ( -1.453 0.000 -2.541) 2.927 9.152 ( 3.043 0.000 -0.720) 3.127 9.208 ( 3.772 0.000 -0.230) 3.779 9.230 ( 0.791 0.000 -0.701) 1.057 9.320 ( 7.944 0.000 0.724) 7.977 9.393 ( -6.878 0.000 -1.345) 7.008 9.422 ( -0.333 0.000 0.438) 0.551 9.541 ( -8.329 0.000 6.281) 10.431 9.644 ( -6.037 0.000 -1.230) 6.161 9.813 ( 1.914 0.000 -0.637) 2.017 9.856 ( 0.053 0.000 2.250) 2.250 9.976 ( -7.679 0.000 0.538) 7.697 10.117 ( -2.892 0.000 6.457) 7.075 10.125 ( -0.423 0.000 2.464) 2.500 10.159 ( -0.628 0.000 -11.268) 11.286 10.218 ( -0.041 0.000 6.487) 6.487 10.236 ( -0.908 0.000 0.045) 0.909 10.379 ( -5.312 0.000 -0.160) 5.314 10.492 ( -5.162 0.000 -9.390) 10.715 10.599 ( -4.581 0.000 -7.500) 8.789 10.616 ( -7.038 0.000 0.964) 7.104 10.728 ( -1.552 0.000 0.322) 1.585 11.018 ( -3.617 0.000 -5.653) 6.711 11.177 ( -7.701 0.000 -1.871) 7.925 11.212 ( -4.260 0.000 -2.833) 5.116 11.361 ( -2.222 0.000 0.286) 2.240 11.897 ( 0.499 0.000 0.685) 0.848 11.912 ( 0.460 0.000 -4.114) 4.140 12.087 ( -18.077 0.000 -0.223) 18.079 12.467 ( 1.548 0.000 2.381) 2.840 12.531 ( 3.378 0.000 -2.730) 4.344 12.691 ( -2.530 0.000 6.698) 7.159 12.693 ( 8.393 0.000 -5.738) 10.167 13.020 ( -10.203 0.000 10.623) 14.729 13.319 ( -10.051 0.000 -3.542) 10.656 13.676 ( -1.803 0.000 1.795) 2.544 13.691 ( -0.841 0.000 0.501) 0.979 13.742 ( -0.862 0.000 2.656) 2.792 13.816 ( -0.760 0.000 0.227) 0.793 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -4.265 0.000 -1.949) 4.689 1.271 ( -4.981 0.000 -9.762) 10.959 1.466 ( -6.785 0.000 -2.848) 7.358 1.596 ( 8.302 0.000 -10.370) 13.284 2.082 ( 8.050 0.000 -5.168) 9.566 2.202 ( 9.898 0.000 6.061) 11.607 2.330 ( -2.941 0.000 -1.579) 3.338 2.387 ( 3.480 0.000 1.997) 4.012 2.420 ( 2.034 0.000 -3.176) 3.772 2.525 ( 2.138 0.000 2.030) 2.948 2.610 ( -2.660 0.000 -1.553) 3.080 2.725 ( 1.902 0.000 -3.482) 3.968 2.754 ( 1.841 0.000 -5.135) 5.455 2.831 ( -13.911 0.000 3.505) 14.346 2.856 ( 2.632 0.000 -4.364) 5.097 2.965 ( -9.717 0.000 -5.664) 11.247 2.991 ( -10.791 0.000 4.462) 11.677 3.013 ( 3.863 0.000 -0.605) 3.910 3.164 ( 3.667 0.000 5.745) 6.815 3.362 ( -0.734 0.000 5.159) 5.211 3.370 ( 1.563 0.000 0.536) 1.652 3.517 ( 0.461 0.000 -3.439) 3.469 3.618 ( 2.642 0.000 -4.281) 5.031 3.658 ( -6.901 0.000 6.685) 9.608 3.872 ( -1.965 0.000 2.691) 3.333 3.880 ( -3.744 0.000 1.659) 4.095 3.991 ( -0.261 0.000 2.414) 2.428 4.060 ( -6.184 0.000 5.241) 8.106 4.066 ( 0.838 0.000 -3.600) 3.696 4.211 ( 3.546 0.000 -6.656) 7.541 4.332 ( 7.291 0.000 5.652) 9.226 4.345 ( 0.567 0.000 0.938) 1.096 4.417 ( 7.114 0.000 5.075) 8.739 4.563 ( 4.670 0.000 4.150) 6.247 4.662 ( 3.634 0.000 -4.988) 6.171 4.699 ( -5.165 0.000 -2.058) 5.559 4.780 ( 0.673 0.000 5.236) 5.279 4.878 ( 0.833 0.000 -5.489) 5.551 4.993 ( -0.055 0.000 -0.743) 0.745 5.039 ( -1.037 0.000 1.209) 1.593 5.082 ( -5.389 0.000 5.066) 7.396 5.204 ( 0.025 0.000 3.771) 3.771 5.206 ( 2.064 0.000 1.428) 2.509 5.262 ( 3.642 0.000 -6.796) 7.710 5.300 ( 0.605 0.000 -0.143) 0.622 5.528 ( -2.393 0.000 -0.325) 2.415 5.531 ( 2.673 0.000 6.469) 7.000 5.661 ( 2.496 0.000 -3.302) 4.140 5.673 ( -1.024 0.000 -2.519) 2.719 5.688 ( 4.240 0.000 -7.502) 8.618 5.690 ( -1.128 0.000 4.098) 4.250 5.886 ( 1.009 0.000 -1.521) 1.825 5.902 ( 2.278 0.000 -1.332) 2.638 6.002 ( -0.974 0.000 -3.110) 3.259 6.127 ( 2.577 0.000 -0.399) 2.608 6.166 ( 0.521 0.000 10.988) 11.001 6.224 ( -0.634 0.000 -5.544) 5.580 6.449 ( 3.719 0.000 5.513) 6.650 6.602 ( 3.108 0.000 0.128) 3.111 6.636 ( 2.204 0.000 -4.327) 4.856 6.680 ( -0.084 0.000 -0.110) 0.139 6.873 ( -0.891 0.000 -6.105) 6.170 7.185 ( 0.135 0.000 11.814) 11.815 7.318 ( 1.663 0.000 -3.803) 4.151 7.351 ( 0.169 0.000 4.238) 4.241 7.450 ( 2.848 0.000 4.183) 5.061 7.496 ( 0.416 0.000 -0.572) 0.707 7.551 ( 3.634 0.000 -2.174) 4.235 7.837 ( 5.439 0.000 9.485) 10.933 7.900 ( 4.415 0.000 -7.381) 8.601 8.043 ( -1.024 0.000 -2.384) 2.594 8.200 ( 2.190 0.000 4.999) 5.457 8.261 ( 6.576 0.000 -1.977) 6.867 8.292 ( 10.166 0.000 7.649) 12.722 8.322 ( 3.632 0.000 -4.230) 5.575 8.465 ( 1.476 0.000 2.711) 3.087 8.485 ( 3.269 0.000 -1.909) 3.785 8.619 ( 6.287 0.000 -0.757) 6.332 8.623 ( -0.086 0.000 -4.224) 4.225 8.892 ( -8.265 0.000 2.370) 8.598 8.971 ( 7.090 0.000 2.565) 7.540 9.044 ( 4.533 0.000 0.999) 4.642 9.098 ( -1.057 0.000 1.644) 1.954 9.186 ( -3.369 0.000 -0.707) 3.442 9.265 ( -4.799 0.000 1.547) 5.042 9.316 ( -9.394 0.000 1.960) 9.596 9.392 ( 7.826 0.000 -1.380) 7.946 9.475 ( 3.047 0.000 -2.118) 3.711 9.494 ( 6.008 0.000 2.611) 6.551 9.500 ( -7.895 0.000 1.863) 8.112 9.799 ( -4.689 0.000 -3.789) 6.029 9.855 ( 1.616 0.000 -3.903) 4.225 9.878 ( -2.412 0.000 1.027) 2.621 10.046 ( -3.465 0.000 0.842) 3.566 10.091 ( -6.417 0.000 1.897) 6.692 10.125 ( 1.182 0.000 -0.450) 1.265 10.231 ( 0.000 0.000 3.843) 3.843 10.245 ( 2.496 0.000 -5.848) 6.358 10.286 ( -2.268 0.000 0.972) 2.468 10.464 ( -5.472 0.000 -1.053) 5.572 10.500 ( 3.535 0.000 -6.754) 7.623 10.550 ( 0.127 0.000 -4.204) 4.206 10.708 ( -0.583 0.000 0.712) 0.920 10.954 ( -2.465 0.000 -3.600) 4.363 11.042 ( -4.895 0.000 -0.943) 4.985 11.157 ( -0.986 0.000 -3.692) 3.821 11.363 ( 3.024 0.000 2.386) 3.852 11.757 ( -13.802 0.000 -3.169) 14.161 11.911 ( 1.049 0.000 -0.548) 1.184 11.930 ( 1.336 0.000 -3.943) 4.163 12.501 ( 0.498 0.000 3.461) 3.497 12.573 ( 0.033 0.000 0.618) 0.619 12.609 ( -5.242 0.000 8.098) 9.647 12.846 ( 7.115 0.000 -7.621) 10.426 12.895 ( -1.450 0.000 7.712) 7.847 13.169 ( -3.812 0.000 -4.913) 6.218 13.650 ( -0.766 0.000 1.807) 1.963 13.682 ( -0.097 0.000 0.240) 0.259 13.732 ( -0.102 0.000 2.568) 2.570 13.805 ( -0.274 0.000 -0.388) 0.475 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 9.956 0.000 -8.178) 12.884 1.286 ( 9.174 0.000 -8.260) 12.344 1.399 ( 1.952 0.000 1.924) 2.741 1.623 ( -9.594 0.000 -11.485) 14.966 2.045 ( -14.624 0.000 -3.004) 14.929 2.239 ( -7.237 0.000 8.641) 11.271 2.257 ( 12.417 0.000 -4.484) 13.202 2.431 ( -1.912 0.000 0.966) 2.142 2.551 ( -9.273 0.000 1.826) 9.451 2.583 ( -6.112 0.000 -7.565) 9.725 2.604 ( 2.072 0.000 -3.517) 4.082 2.676 ( 13.192 0.000 3.661) 13.691 2.717 ( -9.647 0.000 -7.628) 12.298 2.754 ( 5.875 0.000 -5.582) 8.103 2.839 ( 5.578 0.000 4.038) 6.886 2.897 ( 7.048 0.000 2.506) 7.480 2.969 ( 3.831 0.000 -0.965) 3.951 3.121 ( 3.706 0.000 -0.914) 3.817 3.283 ( -3.968 0.000 -0.160) 3.971 3.288 ( -4.432 0.000 4.741) 6.490 3.335 ( 10.226 0.000 1.696) 10.366 3.472 ( -7.197 0.000 3.945) 8.208 3.672 ( 5.626 0.000 -0.433) 5.643 3.694 ( 4.500 0.000 0.473) 4.525 3.719 ( -7.751 0.000 4.122) 8.779 3.876 ( -3.598 0.000 4.599) 5.839 3.971 ( -3.524 0.000 -1.450) 3.811 4.025 ( 5.316 0.000 0.557) 5.345 4.036 ( -0.951 0.000 -1.567) 1.833 4.184 ( -2.143 0.000 0.169) 2.150 4.347 ( -1.197 0.000 9.215) 9.293 4.385 ( -3.387 0.000 -1.450) 3.684 4.621 ( 0.894 0.000 4.954) 5.034 4.644 ( 2.612 0.000 1.946) 3.257 4.688 ( 5.955 0.000 -6.342) 8.699 4.733 ( 2.947 0.000 -4.561) 5.430 4.746 ( -3.646 0.000 0.723) 3.717 4.846 ( 2.932 0.000 -2.488) 3.845 4.949 ( -1.128 0.000 -2.636) 2.867 5.020 ( -0.630 0.000 0.686) 0.932 5.072 ( 1.498 0.000 1.675) 2.247 5.136 ( -5.944 0.000 1.000) 6.028 5.190 ( -1.744 0.000 5.240) 5.523 5.311 ( -0.312 0.000 -1.247) 1.285 5.361 ( 3.405 0.000 0.940) 3.533 5.443 ( -5.531 0.000 -2.137) 5.930 5.568 ( 0.020 0.000 5.667) 5.667 5.634 ( -3.465 0.000 2.149) 4.078 5.662 ( -0.615 0.000 -1.931) 2.027 5.694 ( 1.522 0.000 -4.273) 4.536 5.754 ( 1.933 0.000 -7.543) 7.787 5.878 ( -2.230 0.000 0.305) 2.251 5.919 ( -0.245 0.000 -0.197) 0.315 5.982 ( -0.661 0.000 -3.227) 3.294 6.114 ( -4.561 0.000 4.147) 6.164 6.148 ( -0.468 0.000 -0.138) 0.488 6.236 ( 0.543 0.000 1.806) 1.886 6.499 ( 1.109 0.000 7.668) 7.748 6.607 ( -4.921 0.000 -5.658) 7.498 6.625 ( -1.737 0.000 -0.765) 1.898 6.646 ( -2.277 0.000 0.341) 2.302 6.835 ( -2.586 0.000 -5.477) 6.057 7.137 ( -4.987 0.000 12.641) 13.589 7.272 ( -7.186 0.000 -2.873) 7.738 7.339 ( 0.482 0.000 0.300) 0.568 7.420 ( -5.359 0.000 1.678) 5.616 7.453 ( -4.668 0.000 9.591) 10.666 7.603 ( 1.069 0.000 -2.454) 2.677 7.869 ( -2.553 0.000 6.625) 7.100 7.915 ( -2.493 0.000 -2.567) 3.578 7.958 ( -7.600 0.000 -3.051) 8.189 8.218 ( -0.074 0.000 2.197) 2.198 8.261 ( -5.958 0.000 -2.319) 6.393 8.360 ( -2.198 0.000 -6.879) 7.222 8.366 ( -1.274 0.000 5.253) 5.405 8.502 ( -1.167 0.000 1.577) 1.961 8.579 ( 4.221 0.000 -0.702) 4.279 8.586 ( -8.163 0.000 -4.699) 9.419 8.637 ( -5.458 0.000 -2.104) 5.849 8.764 ( 7.136 0.000 5.667) 9.112 9.052 ( -4.815 0.000 0.384) 4.830 9.101 ( 5.481 0.000 -0.781) 5.537 9.151 ( -3.926 0.000 0.697) 3.987 9.191 ( 5.512 0.000 1.395) 5.686 9.224 ( 2.331 0.000 0.159) 2.336 9.244 ( 5.188 0.000 4.340) 6.763 9.336 ( -6.297 0.000 -1.260) 6.422 9.383 ( -4.653 0.000 2.832) 5.447 9.524 ( -2.229 0.000 6.258) 6.643 9.630 ( 7.018 0.000 -4.483) 8.328 9.756 ( 0.999 0.000 -4.758) 4.862 9.834 ( -1.767 0.000 -0.195) 1.778 9.856 ( -3.504 0.000 -1.144) 3.686 9.963 ( 0.380 0.000 0.375) 0.534 10.028 ( 0.504 0.000 2.431) 2.482 10.167 ( 2.819 0.000 1.116) 3.032 10.200 ( -1.383 0.000 1.472) 2.020 10.323 ( 1.994 0.000 -3.417) 3.956 10.354 ( 7.049 0.000 1.231) 7.155 10.388 ( 0.865 0.000 -2.783) 2.914 10.570 ( 1.063 0.000 -4.921) 5.035 10.595 ( 4.823 0.000 -9.567) 10.714 10.704 ( 0.157 0.000 3.155) 3.159 10.896 ( -3.196 0.000 -6.098) 6.885 11.014 ( 2.276 0.000 3.027) 3.787 11.171 ( 2.484 0.000 -3.670) 4.432 11.490 ( 8.579 0.000 5.631) 10.262 11.545 ( -6.628 0.000 -4.660) 8.102 11.954 ( 3.774 0.000 -1.323) 3.999 11.964 ( 2.047 0.000 -4.622) 5.055 12.437 ( -5.173 0.000 4.155) 6.635 12.522 ( -4.446 0.000 1.947) 4.853 12.543 ( -2.594 0.000 8.476) 8.864 12.956 ( 6.621 0.000 5.425) 8.559 12.990 ( 6.942 0.000 -8.698) 11.129 13.173 ( 4.209 0.000 -4.783) 6.371 13.646 ( 0.354 0.000 1.774) 1.809 13.686 ( 0.493 0.000 0.318) 0.587 13.740 ( 0.808 0.000 2.546) 2.671 13.806 ( 0.452 0.000 -0.698) 0.832 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -18.040 0.000 -1.267) 18.085 1.373 ( 10.238 0.000 -9.614) 14.044 1.502 ( 3.053 0.000 5.125) 5.965 1.615 ( 20.723 0.000 -6.849) 21.826 1.836 ( -9.583 0.000 -2.105) 9.812 2.050 ( -0.810 0.000 5.617) 5.675 2.316 ( -11.632 0.000 -7.708) 13.954 2.342 ( -10.072 0.000 1.448) 10.175 2.423 ( -3.791 0.000 -2.959) 4.809 2.501 ( 4.250 0.000 -4.083) 5.894 2.584 ( 0.260 0.000 -7.015) 7.020 2.656 ( 5.606 0.000 -5.877) 8.122 2.870 ( 0.151 0.000 1.416) 1.424 2.896 ( -1.412 0.000 0.987) 1.723 3.002 ( 0.753 0.000 3.822) 3.896 3.018 ( 14.290 0.000 3.136) 14.630 3.055 ( 4.798 0.000 2.266) 5.306 3.125 ( -3.456 0.000 -3.450) 4.883 3.180 ( -5.095 0.000 2.873) 5.849 3.263 ( 5.854 0.000 0.380) 5.866 3.489 ( 7.823 0.000 1.546) 7.974 3.543 ( 5.933 0.000 -4.167) 7.250 3.552 ( -5.875 0.000 5.223) 7.862 3.691 ( -3.579 0.000 -0.558) 3.623 3.751 ( 1.607 0.000 4.504) 4.783 3.907 ( -0.414 0.000 1.178) 1.248 3.920 ( 7.220 0.000 1.892) 7.464 4.048 ( 1.598 0.000 0.913) 1.841 4.073 ( -1.969 0.000 0.817) 2.132 4.184 ( 2.969 0.000 0.938) 3.114 4.237 ( -9.523 0.000 -2.562) 9.862 4.385 ( 5.891 0.000 7.038) 9.178 4.560 ( -4.923 0.000 -4.732) 6.829 4.593 ( -3.953 0.000 2.552) 4.706 4.677 ( -1.207 0.000 1.590) 1.996 4.776 ( 1.024 0.000 -2.065) 2.305 4.820 ( 4.019 0.000 -5.049) 6.454 4.905 ( -1.134 0.000 -1.282) 1.712 4.961 ( -7.499 0.000 -0.839) 7.546 4.966 ( -0.553 0.000 -2.625) 2.683 5.038 ( -1.475 0.000 2.011) 2.494 5.091 ( -1.171 0.000 0.287) 1.206 5.151 ( -1.142 0.000 2.534) 2.779 5.276 ( -2.779 0.000 -3.185) 4.227 5.364 ( -0.090 0.000 -2.174) 2.176 5.381 ( -1.457 0.000 6.135) 6.305 5.518 ( -6.613 0.000 0.898) 6.674 5.548 ( -1.959 0.000 5.380) 5.725 5.672 ( 0.690 0.000 -0.221) 0.724 5.717 ( -0.479 0.000 -4.224) 4.251 5.762 ( -1.022 0.000 -5.994) 6.081 5.800 ( -3.910 0.000 0.355) 3.926 5.907 ( -0.586 0.000 0.625) 0.857 5.966 ( -1.510 0.000 -0.191) 1.522 6.028 ( -3.076 0.000 -1.349) 3.359 6.113 ( -2.925 0.000 0.548) 2.975 6.204 ( -3.862 0.000 0.428) 3.886 6.450 ( -9.607 0.000 -7.125) 11.961 6.485 ( -3.967 0.000 7.869) 8.813 6.491 ( -9.517 0.000 -2.724) 9.899 6.629 ( -1.254 0.000 3.501) 3.719 6.772 ( -2.890 0.000 -4.362) 5.232 6.989 ( -9.429 0.000 10.258) 13.934 7.102 ( -8.197 0.000 1.250) 8.292 7.273 ( -7.787 0.000 -0.196) 7.789 7.330 ( -1.721 0.000 3.804) 4.175 7.331 ( -6.985 0.000 10.807) 12.867 7.596 ( -1.308 0.000 -5.135) 5.299 7.746 ( -9.633 0.000 9.267) 13.366 7.796 ( -9.407 0.000 0.716) 9.434 7.805 ( -5.092 0.000 -6.892) 8.569 8.059 ( -12.621 0.000 -0.368) 12.626 8.149 ( -7.568 0.000 1.408) 7.698 8.221 ( -13.167 0.000 -9.202) 16.064 8.335 ( -1.265 0.000 3.542) 3.761 8.356 ( -5.604 0.000 0.993) 5.691 8.406 ( -6.340 0.000 4.591) 7.828 8.528 ( -2.947 0.000 -5.084) 5.877 8.772 ( 6.334 0.000 -4.291) 7.651 8.869 ( 1.969 0.000 4.929) 5.308 8.944 ( -5.631 0.000 -4.281) 7.074 9.000 ( -7.947 0.000 -4.536) 9.150 9.159 ( -4.927 0.000 -0.899) 5.008 9.223 ( -3.381 0.000 0.348) 3.399 9.267 ( -0.446 0.000 -2.328) 2.371 9.280 ( 5.173 0.000 2.961) 5.960 9.330 ( 2.423 0.000 4.025) 4.698 9.388 ( 3.237 0.000 -2.828) 4.299 9.509 ( 2.984 0.000 10.496) 10.912 9.708 ( 1.333 0.000 -1.177) 1.778 9.777 ( -0.334 0.000 -3.501) 3.517 9.795 ( 0.153 0.000 6.445) 6.447 9.846 ( 3.780 0.000 0.761) 3.856 10.036 ( 3.742 0.000 -5.076) 6.306 10.114 ( 7.644 0.000 6.320) 9.918 10.198 ( 1.454 0.000 2.775) 3.133 10.246 ( 4.816 0.000 2.209) 5.298 10.340 ( 1.983 0.000 -1.564) 2.526 10.434 ( 1.055 0.000 -4.897) 5.009 10.490 ( 3.933 0.000 -4.470) 5.954 10.604 ( 4.403 0.000 -2.368) 5.000 10.712 ( 7.042 0.000 -14.143) 15.799 10.717 ( 0.907 0.000 5.400) 5.476 10.843 ( -1.588 0.000 -4.606) 4.872 11.106 ( 6.014 0.000 2.693) 6.590 11.254 ( 5.595 0.000 -2.558) 6.152 11.477 ( -0.757 0.000 -5.258) 5.313 11.652 ( 5.725 0.000 6.880) 8.951 12.004 ( 1.837 0.000 -4.785) 5.126 12.090 ( 10.031 0.000 0.467) 10.042 12.356 ( -2.624 0.000 2.777) 3.821 12.431 ( -3.859 0.000 1.826) 4.270 12.468 ( -4.747 0.000 7.011) 8.467 13.103 ( 4.470 0.000 -9.332) 10.347 13.134 ( 10.006 0.000 6.010) 11.672 13.327 ( 10.290 0.000 -3.777) 10.961 13.664 ( 1.293 0.000 1.686) 2.125 13.705 ( 1.432 0.000 0.883) 1.682 13.765 ( 1.497 0.000 2.583) 2.985 13.822 ( 1.060 0.000 -0.840) 1.353 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -10.869 0.000 11.632) 15.920 1.380 ( -11.777 0.000 8.750) 14.671 1.593 ( 2.698 0.000 1.220) 2.961 1.733 ( 11.506 0.000 -10.406) 15.513 1.982 ( 2.492 0.000 -0.008) 2.492 2.092 ( -1.875 0.000 -8.111) 8.325 2.099 ( -5.425 0.000 1.404) 5.604 2.338 ( 12.726 0.000 -4.873) 13.627 2.363 ( -0.944 0.000 -2.679) 2.841 2.416 ( -4.545 0.000 0.294) 4.555 2.660 ( 0.525 0.000 -2.598) 2.651 2.738 ( -1.700 0.000 -2.657) 3.154 2.746 ( -9.802 0.000 6.672) 11.858 2.856 ( 3.580 0.000 -0.154) 3.583 2.936 ( -11.435 0.000 1.339) 11.513 3.069 ( -2.070 0.000 -10.794) 10.991 3.073 ( 4.468 0.000 -1.285) 4.649 3.147 ( 0.474 0.000 2.929) 2.967 3.241 ( 6.261 0.000 0.074) 6.261 3.399 ( 3.519 0.000 -1.495) 3.823 3.499 ( -3.040 0.000 3.729) 4.811 3.571 ( 3.905 0.000 1.740) 4.275 3.577 ( 2.236 0.000 -1.720) 2.822 3.755 ( 8.163 0.000 -6.761) 10.600 3.815 ( 1.817 0.000 3.708) 4.130 3.910 ( -0.286 0.000 -1.012) 1.052 4.035 ( -8.009 0.000 -2.670) 8.443 4.037 ( -0.157 0.000 2.338) 2.343 4.078 ( 0.538 0.000 3.659) 3.698 4.093 ( 8.270 0.000 1.799) 8.464 4.322 ( 8.192 0.000 5.107) 9.653 4.478 ( -2.532 0.000 -6.518) 6.993 4.493 ( 1.804 0.000 -1.415) 2.293 4.495 ( -4.601 0.000 2.013) 5.022 4.698 ( 2.243 0.000 2.763) 3.559 4.776 ( -1.155 0.000 -0.301) 1.193 4.778 ( -8.154 0.000 6.831) 10.637 4.817 ( -4.651 0.000 -4.453) 6.439 4.841 ( -6.515 0.000 0.583) 6.541 4.905 ( 0.127 0.000 -2.539) 2.542 4.998 ( -3.670 0.000 0.994) 3.802 5.016 ( -4.883 0.000 2.358) 5.423 5.152 ( 0.953 0.000 -0.768) 1.224 5.221 ( -1.319 0.000 -2.430) 2.764 5.341 ( -1.819 0.000 -1.788) 2.551 5.380 ( -1.576 0.000 -2.435) 2.900 5.395 ( -4.508 0.000 3.990) 6.020 5.509 ( -2.020 0.000 5.074) 5.461 5.608 ( -7.548 0.000 -1.954) 7.796 5.681 ( 0.353 0.000 2.067) 2.097 5.709 ( -3.869 0.000 -3.927) 5.513 5.806 ( 2.279 0.000 -1.630) 2.802 5.900 ( -0.406 0.000 -0.348) 0.534 5.923 ( -1.875 0.000 2.198) 2.889 5.988 ( -1.566 0.000 -6.695) 6.876 6.028 ( -5.512 0.000 0.952) 5.593 6.114 ( -3.497 0.000 -1.664) 3.873 6.244 ( -9.715 0.000 -4.408) 10.668 6.277 ( -10.257 0.000 -2.978) 10.681 6.293 ( -14.004 0.000 4.340) 14.661 6.589 ( -2.343 0.000 3.333) 4.074 6.746 ( -0.155 0.000 -5.420) 5.422 6.826 ( -5.012 0.000 11.340) 12.398 6.956 ( -6.120 0.000 6.252) 8.749 7.145 ( -4.288 0.000 -1.280) 4.475 7.207 ( -4.845 0.000 8.886) 10.121 7.272 ( -4.091 0.000 2.502) 4.795 7.543 ( -10.813 0.000 -1.424) 10.906 7.553 ( -9.393 0.000 5.836) 11.059 7.561 ( -5.668 0.000 -3.354) 6.586 7.725 ( -2.804 0.000 -4.114) 4.979 7.769 ( -15.115 0.000 3.674) 15.555 7.940 ( -11.621 0.000 1.404) 11.705 7.968 ( -9.892 0.000 -11.115) 14.879 8.264 ( -6.897 0.000 1.864) 7.144 8.275 ( -3.046 0.000 0.913) 3.180 8.323 ( -1.129 0.000 5.874) 5.982 8.504 ( 0.519 0.000 -3.923) 3.958 8.793 ( -8.338 0.000 -3.534) 9.057 8.800 ( -8.289 0.000 1.133) 8.366 8.847 ( 1.200 0.000 -4.343) 4.506 8.882 ( -2.520 0.000 -4.156) 4.861 9.074 ( -4.209 0.000 -1.351) 4.421 9.140 ( -4.175 0.000 -4.316) 6.005 9.259 ( 0.497 0.000 -0.675) 0.838 9.282 ( -2.696 0.000 2.686) 3.806 9.395 ( 2.853 0.000 1.734) 3.339 9.459 ( 3.987 0.000 1.150) 4.149 9.646 ( 7.992 0.000 6.667) 10.408 9.700 ( -0.649 0.000 0.947) 1.148 9.731 ( -3.512 0.000 -1.833) 3.962 9.869 ( 4.598 0.000 9.505) 10.559 9.957 ( 5.752 0.000 1.399) 5.920 10.105 ( 3.087 0.000 -1.800) 3.573 10.249 ( 2.932 0.000 5.771) 6.473 10.267 ( 6.129 0.000 4.768) 7.765 10.362 ( 6.227 0.000 1.372) 6.376 10.394 ( 1.580 0.000 -2.775) 3.193 10.458 ( 3.921 0.000 -7.339) 8.321 10.516 ( 0.495 0.000 -9.567) 9.580 10.708 ( 1.392 0.000 4.509) 4.718 10.775 ( 7.427 0.000 3.874) 8.377 10.799 ( 0.239 0.000 -5.518) 5.524 10.882 ( 6.532 0.000 -13.114) 14.651 11.238 ( 6.564 0.000 2.222) 6.930 11.380 ( 6.196 0.000 -1.815) 6.456 11.477 ( 0.388 0.000 -4.451) 4.468 11.709 ( 0.170 0.000 5.436) 5.438 12.032 ( 1.116 0.000 -4.020) 4.172 12.296 ( -5.152 0.000 3.351) 6.146 12.336 ( 12.622 0.000 4.519) 13.407 12.381 ( -1.037 0.000 1.355) 1.706 12.396 ( -0.603 0.000 3.299) 3.354 13.180 ( 3.379 0.000 -9.517) 10.099 13.339 ( 9.335 0.000 7.054) 11.700 13.545 ( 9.960 0.000 -4.013) 10.738 13.697 ( 1.785 0.000 1.682) 2.452 13.758 ( 4.362 0.000 1.609) 4.650 13.799 ( 1.713 0.000 2.861) 3.335 13.845 ( 1.171 0.000 -0.892) 1.472 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 5.316 0.000 24.828) 25.391 1.110 ( -11.368 0.000 19.264) 22.368 1.711 ( -18.292 0.000 8.454) 20.151 1.742 ( 10.581 0.000 -3.477) 11.137 2.004 ( 3.801 0.000 -10.323) 11.001 2.029 ( 8.519 0.000 -6.876) 10.948 2.099 ( -3.313 0.000 -6.504) 7.299 2.246 ( -5.986 0.000 10.101) 11.742 2.478 ( -5.695 0.000 -1.941) 6.016 2.480 ( -1.235 0.000 -3.659) 3.862 2.525 ( -5.081 0.000 11.482) 12.556 2.691 ( -4.939 0.000 -4.678) 6.803 2.753 ( 6.018 0.000 -1.799) 6.281 2.771 ( 6.985 0.000 -10.669) 12.752 2.876 ( -4.199 0.000 -6.671) 7.883 3.078 ( 4.171 0.000 -13.499) 14.128 3.136 ( -2.386 0.000 2.121) 3.192 3.238 ( 10.996 0.000 2.997) 11.397 3.280 ( -1.076 0.000 -3.133) 3.312 3.407 ( -2.179 0.000 0.420) 2.219 3.462 ( 0.303 0.000 3.567) 3.580 3.665 ( 4.869 0.000 2.728) 5.581 3.703 ( 6.991 0.000 -3.985) 8.047 3.770 ( -6.285 0.000 -7.085) 9.471 3.813 ( -2.694 0.000 -4.700) 5.418 3.819 ( -1.486 0.000 -3.363) 3.677 4.019 ( -1.800 0.000 4.748) 5.078 4.041 ( -0.961 0.000 1.892) 2.122 4.091 ( 3.480 0.000 5.081) 6.158 4.226 ( 3.686 0.000 0.237) 3.694 4.341 ( -4.731 0.000 -1.064) 4.849 4.422 ( -3.682 0.000 -5.439) 6.568 4.456 ( -4.236 0.000 8.225) 9.252 4.468 ( -1.711 0.000 -4.913) 5.202 4.641 ( -2.528 0.000 0.315) 2.548 4.681 ( -5.135 0.000 3.731) 6.347 4.700 ( -2.707 0.000 2.679) 3.808 4.776 ( 2.253 0.000 11.476) 11.695 4.780 ( -1.568 0.000 -2.491) 2.943 4.904 ( -2.959 0.000 -0.527) 3.006 4.938 ( -0.964 0.000 -1.898) 2.129 4.998 ( 6.099 0.000 6.323) 8.786 5.187 ( 1.960 0.000 -1.311) 2.358 5.227 ( 0.493 0.000 -0.789) 0.930 5.287 ( -5.712 0.000 -3.090) 6.494 5.304 ( -0.352 0.000 -2.919) 2.940 5.361 ( 0.039 0.000 -1.745) 1.745 5.463 ( -6.354 0.000 -1.296) 6.484 5.488 ( 0.095 0.000 7.656) 7.656 5.615 ( -4.600 0.000 -2.440) 5.207 5.691 ( 0.383 0.000 1.891) 1.930 5.838 ( 0.723 0.000 -3.385) 3.462 5.858 ( -4.401 0.000 -1.487) 4.645 5.887 ( -2.979 0.000 3.276) 4.428 5.923 ( -2.752 0.000 1.063) 2.950 5.955 ( -1.955 0.000 -1.538) 2.488 6.019 ( -6.540 0.000 -1.096) 6.631 6.079 ( -6.049 0.000 -1.044) 6.139 6.101 ( -0.661 0.000 -5.089) 5.131 6.125 ( -4.243 0.000 -4.979) 6.542 6.551 ( -1.483 0.000 3.874) 4.148 6.715 ( -1.163 0.000 1.149) 1.635 6.818 ( 0.292 0.000 3.290) 3.302 6.881 ( 0.194 0.000 6.923) 6.926 7.092 ( -1.449 0.000 -1.333) 1.969 7.140 ( -2.120 0.000 5.746) 6.125 7.141 ( -8.709 0.000 0.342) 8.715 7.310 ( -8.172 0.000 -0.477) 8.186 7.355 ( -9.932 0.000 4.608) 10.949 7.457 ( -7.790 0.000 -1.763) 7.987 7.541 ( -4.067 0.000 -1.526) 4.344 7.669 ( -3.916 0.000 -7.356) 8.334 7.733 ( -7.370 0.000 3.880) 8.329 7.831 ( -3.336 0.000 -8.464) 9.098 8.131 ( -4.501 0.000 1.747) 4.828 8.230 ( -1.663 0.000 1.525) 2.256 8.306 ( -0.767 0.000 6.654) 6.698 8.523 ( 0.041 0.000 -6.611) 6.611 8.639 ( -4.423 0.000 3.712) 5.774 8.655 ( -5.067 0.000 5.434) 7.430 8.822 ( -3.931 0.000 -2.348) 4.579 8.858 ( 0.201 0.000 -5.693) 5.696 8.976 ( -4.723 0.000 -3.469) 5.860 9.064 ( -2.841 0.000 -6.565) 7.153 9.241 ( -0.924 0.000 0.134) 0.934 9.265 ( -0.341 0.000 -0.263) 0.431 9.446 ( 2.138 0.000 0.588) 2.218 9.522 ( 1.269 0.000 1.847) 2.241 9.674 ( -0.745 0.000 1.209) 1.420 9.697 ( 0.016 0.000 1.578) 1.578 9.789 ( 5.459 0.000 4.923) 7.351 9.937 ( 1.457 0.000 11.266) 11.359 10.051 ( 3.257 0.000 2.073) 3.860 10.155 ( 1.802 0.000 0.462) 1.860 10.295 ( 1.033 0.000 7.688) 7.757 10.339 ( 0.791 0.000 -4.161) 4.235 10.416 ( 1.753 0.000 -0.553) 1.838 10.485 ( 5.114 0.000 -5.931) 7.831 10.520 ( 0.037 0.000 -1.672) 1.673 10.584 ( 7.018 0.000 -5.367) 8.835 10.711 ( -0.114 0.000 2.521) 2.524 10.794 ( -0.375 0.000 -2.856) 2.880 10.942 ( 7.015 0.000 0.921) 7.075 11.008 ( 5.637 0.000 -14.873) 15.906 11.362 ( 5.265 0.000 1.847) 5.580 11.484 ( 4.095 0.000 -1.345) 4.310 11.496 ( 2.332 0.000 -1.325) 2.682 11.678 ( -3.112 0.000 3.634) 4.785 12.055 ( 1.459 0.000 -2.037) 2.506 12.161 ( -7.241 0.000 4.313) 8.428 12.381 ( 0.758 0.000 0.395) 0.855 12.416 ( 1.908 0.000 -1.449) 2.396 12.573 ( 9.404 0.000 9.662) 13.484 13.224 ( 0.596 0.000 -9.479) 9.498 13.492 ( 5.035 0.000 7.516) 9.046 13.684 ( 3.995 0.000 -3.316) 5.192 13.733 ( 1.626 0.000 1.901) 2.501 13.830 ( 1.052 0.000 3.689) 3.836 13.841 ( 0.429 0.000 -1.005) 1.092 13.920 ( 7.829 0.000 -1.510) 7.973 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.257 3.805 19.636) 20.040 1.240 ( -2.594 11.555 24.205) 26.947 1.584 ( 1.401 -19.150 -1.905) 19.295 1.682 ( -1.794 20.743 6.779) 21.896 1.897 ( -0.136 -15.541 12.212) 19.765 2.136 ( 4.049 3.667 -8.092) 9.763 2.220 ( -0.266 3.930 -16.768) 17.225 2.308 ( 2.589 0.601 -2.408) 3.586 2.310 ( -4.355 -6.101 -9.283) 11.931 2.401 ( -1.478 3.986 4.322) 6.062 2.483 ( 3.396 0.632 -4.874) 5.974 2.592 ( -1.773 8.461 0.395) 8.654 2.802 ( 1.772 -1.031 -8.708) 8.946 2.923 ( -0.947 0.904 -5.022) 5.190 2.972 ( -2.403 -6.047 6.821) 9.427 3.005 ( -1.041 6.484 -0.179) 6.569 3.206 ( -0.203 0.790 -4.080) 4.161 3.280 ( -0.582 2.066 -0.853) 2.309 3.334 ( -2.779 2.362 -1.997) 4.158 3.412 ( 6.285 -1.741 -1.714) 6.743 3.460 ( 4.233 -8.664 2.684) 10.009 3.653 ( 2.729 -3.493 -2.078) 4.895 3.692 ( -5.013 0.677 -2.466) 5.628 3.712 ( -4.007 4.614 -3.628) 7.106 3.765 ( 1.306 -2.694 3.298) 4.454 3.807 ( -1.147 -2.166 0.537) 2.510 3.966 ( -2.294 -3.950 -3.381) 5.683 3.980 ( 1.439 -2.100 2.706) 3.715 4.095 ( -0.105 0.542 1.195) 1.316 4.154 ( -0.288 -4.414 -0.872) 4.509 4.274 ( 1.820 -1.398 2.338) 3.276 4.354 ( -2.427 -0.693 -0.066) 2.525 4.407 ( -3.822 5.889 1.223) 7.126 4.485 ( 0.587 -0.475 -0.177) 0.776 4.568 ( -0.177 -0.246 -1.682) 1.709 4.613 ( -0.329 -3.983 1.918) 4.433 4.674 ( 0.454 -0.461 1.059) 1.241 4.755 ( -0.280 -2.839 5.573) 6.261 4.833 ( 0.546 4.645 2.225) 5.180 4.976 ( 2.595 2.823 1.574) 4.145 4.987 ( 3.171 1.247 1.609) 3.768 5.065 ( -1.685 -3.150 2.873) 4.584 5.119 ( 3.921 -1.101 -0.859) 4.162 5.220 ( -3.056 -0.395 0.619) 3.143 5.292 ( -1.439 -2.288 -1.186) 2.951 5.300 ( -1.725 -3.301 1.575) 4.044 5.351 ( 2.547 4.631 -2.411) 5.809 5.419 ( 3.105 4.108 -2.545) 5.744 5.570 ( 0.483 5.796 2.300) 6.254 5.603 ( -1.085 2.596 -0.556) 2.868 5.716 ( -0.906 2.458 0.243) 2.631 5.779 ( -0.147 -1.084 4.491) 4.622 5.829 ( -1.168 0.392 2.110) 2.444 5.853 ( -1.191 0.446 -1.551) 2.006 5.907 ( 0.187 0.122 1.291) 1.310 5.953 ( -1.814 0.686 -3.383) 3.900 5.973 ( 1.806 -1.940 -2.747) 3.817 6.032 ( 0.062 2.247 -5.702) 6.128 6.052 ( 0.621 -3.677 -4.924) 6.177 6.089 ( -1.018 -0.051 -5.900) 5.987 6.575 ( -0.770 4.769 2.090) 5.263 6.707 ( 0.039 -1.281 0.880) 1.555 6.757 ( 0.938 -4.256 7.782) 8.920 6.862 ( 0.270 -5.060 -0.052) 5.067 6.999 ( 1.096 -2.342 1.387) 2.934 7.068 ( 2.302 -0.394 -0.768) 2.458 7.093 ( -0.558 -1.335 -1.474) 2.065 7.136 ( 0.708 -1.044 -0.935) 1.570 7.367 ( -1.589 2.521 1.552) 3.359 7.421 ( 0.946 4.351 1.426) 4.675 7.489 ( 3.887 -2.285 -2.927) 5.376 7.502 ( -0.987 -3.300 -1.636) 3.813 7.775 ( -2.047 9.415 2.025) 9.845 7.924 ( 0.515 5.707 -3.381) 6.654 8.149 ( 2.960 2.244 3.767) 5.290 8.234 ( -2.431 3.794 0.124) 4.508 8.276 ( -0.312 -1.973 6.210) 6.523 8.438 ( -0.007 -3.675 -3.173) 4.855 8.532 ( -0.589 -6.851 0.356) 6.885 8.630 ( -1.009 -0.594 5.086) 5.219 8.723 ( -0.028 -2.534 1.901) 3.168 8.751 ( -0.814 -5.790 -1.785) 6.113 8.956 ( -1.928 3.014 -6.541) 7.455 9.043 ( -0.226 0.279 -7.653) 7.661 9.264 ( 0.516 2.073 -0.241) 2.150 9.285 ( 0.919 1.756 0.479) 2.039 9.473 ( 0.641 0.365 0.618) 0.962 9.528 ( -1.267 0.664 -1.553) 2.112 9.687 ( -0.232 1.371 4.276) 4.497 9.774 ( 2.919 3.708 1.975) 5.116 9.872 ( 1.474 0.467 4.995) 5.229 9.922 ( -0.776 -1.050 8.608) 8.706 10.112 ( -0.165 2.043 -0.406) 2.090 10.129 ( -0.496 -2.673 2.366) 3.604 10.214 ( 0.057 -4.765 6.063) 7.712 10.352 ( -3.901 -1.057 -5.201) 6.587 10.429 ( 0.941 -1.557 3.143) 3.632 10.500 ( -1.415 2.219 -3.483) 4.365 10.533 ( -1.779 -4.063 2.485) 5.084 10.601 ( 3.469 -1.518 -6.336) 7.382 10.728 ( -1.242 -1.285 -0.405) 1.832 10.815 ( 3.250 3.543 0.414) 4.825 10.970 ( -1.659 -4.027 -7.347) 8.541 11.033 ( 4.789 -4.312 -10.230) 12.091 11.441 ( 0.372 0.502 -0.048) 0.627 11.501 ( -2.008 -0.851 -2.501) 3.318 11.575 ( -1.691 -0.202 0.529) 1.784 11.627 ( 3.531 -1.817 -1.768) 4.348 12.131 ( -0.443 6.859 2.427) 7.289 12.163 ( 2.038 4.220 0.504) 4.713 12.391 ( 1.309 -0.953 -0.777) 1.796 12.426 ( 1.298 -2.198 -2.473) 3.554 12.774 ( 2.078 6.228 10.753) 12.600 13.093 ( -4.778 -6.067 -1.973) 7.971 13.570 ( -0.843 2.745 2.430) 3.762 13.691 ( 0.355 -2.874 -1.750) 3.384 13.782 ( 0.835 1.545 2.284) 2.881 13.824 ( -0.935 0.059 1.746) 1.981 13.880 ( -1.943 3.972 0.411) 4.441 14.000 ( -1.272 -1.193 -3.298) 3.730 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.758 9.017 17.883) 20.042 1.222 ( 6.878 7.883 18.589) 21.331 1.651 ( 4.396 -13.702 2.305) 14.573 1.732 ( 3.269 8.729 -4.854) 10.509 1.866 ( -3.681 -11.751 9.848) 15.768 2.187 ( -4.434 3.978 -16.723) 17.752 2.212 ( 3.724 4.906 -11.564) 13.102 2.283 ( 2.943 -3.320 -5.227) 6.856 2.326 ( -0.487 3.705 0.662) 3.795 2.448 ( 5.675 2.157 4.568) 7.598 2.537 ( 2.247 2.627 0.214) 3.464 2.580 ( -3.015 -3.530 -4.405) 6.399 2.699 ( -6.347 2.294 -0.316) 6.756 2.928 ( -0.116 1.112 -0.355) 1.173 2.974 ( -2.585 4.553 3.478) 6.286 3.029 ( 8.784 -1.219 -5.254) 10.307 3.147 ( -4.632 -1.478 0.548) 4.893 3.260 ( -1.312 4.553 -1.419) 4.946 3.305 ( -0.035 4.813 -2.494) 5.420 3.442 ( -2.871 -4.736 -1.899) 5.855 3.534 ( -2.153 -1.907 -5.339) 6.064 3.592 ( 0.932 0.961 0.894) 1.610 3.643 ( -0.907 -4.253 0.416) 4.369 3.664 ( -1.843 -2.869 3.012) 4.549 3.803 ( 5.084 -5.192 -6.550) 9.784 3.882 ( 1.712 -3.959 1.559) 4.586 3.921 ( -2.364 0.348 4.228) 4.856 4.012 ( 0.829 1.415 -0.922) 1.881 4.095 ( 2.899 -4.641 3.421) 6.453 4.175 ( 1.576 1.673 2.426) 3.341 4.261 ( -0.065 -1.431 1.933) 2.407 4.314 ( -2.725 1.164 -2.771) 4.057 4.417 ( 1.683 0.336 -0.880) 1.929 4.478 ( -0.852 -2.193 4.686) 5.244 4.603 ( 1.283 -2.214 0.713) 2.656 4.630 ( 4.002 2.526 -1.079) 4.854 4.737 ( -0.534 -0.173 1.272) 1.390 4.754 ( 6.091 0.415 0.398) 6.118 4.877 ( 2.711 1.627 5.547) 6.384 4.962 ( -4.683 -1.285 -1.800) 5.179 5.028 ( 0.018 0.330 -0.306) 0.450 5.096 ( 4.297 0.215 5.809) 7.229 5.167 ( -0.607 -1.750 0.322) 1.880 5.204 ( -3.601 -0.448 0.243) 3.636 5.244 ( 5.796 -1.617 -0.193) 6.020 5.316 ( 1.215 -0.393 -4.030) 4.227 5.430 ( 1.594 2.376 0.491) 2.903 5.459 ( 3.672 3.588 -1.213) 5.276 5.587 ( 1.643 6.719 0.125) 6.918 5.606 ( 0.973 2.942 -3.169) 4.433 5.708 ( -0.549 1.369 0.797) 1.677 5.782 ( -2.066 -2.284 2.650) 4.063 5.802 ( -1.029 -0.536 0.338) 1.208 5.839 ( 3.539 -1.812 1.437) 4.228 5.917 ( 1.416 0.806 -0.062) 1.631 5.970 ( 3.108 0.569 -0.911) 3.288 6.035 ( 1.878 -1.008 -2.366) 3.184 6.057 ( 4.124 -1.974 -4.934) 6.727 6.115 ( 7.263 0.349 -3.908) 8.255 6.174 ( 10.001 -0.013 -4.300) 10.886 6.565 ( 0.294 5.662 2.189) 6.077 6.719 ( 1.902 -0.649 0.708) 2.131 6.815 ( 3.418 -5.873 4.141) 7.957 6.863 ( 1.459 -6.754 2.959) 7.516 7.068 ( 3.967 -0.633 -0.043) 4.018 7.152 ( 6.035 -3.182 -1.603) 7.008 7.191 ( 8.822 2.077 0.553) 9.080 7.246 ( 6.568 -1.185 -0.618) 6.703 7.454 ( 9.692 1.191 -2.981) 10.210 7.470 ( 4.080 3.120 -1.511) 5.354 7.557 ( 6.551 3.107 3.801) 8.186 7.628 ( 8.502 -1.728 -1.532) 8.810 7.805 ( 5.720 7.996 2.122) 10.058 7.979 ( 4.655 3.986 -3.518) 7.066 8.169 ( -1.101 2.130 1.455) 2.805 8.201 ( -0.187 2.611 3.530) 4.394 8.275 ( -0.305 -1.390 1.928) 2.396 8.464 ( 2.155 -3.167 -2.060) 4.349 8.542 ( 1.237 -6.257 0.272) 6.384 8.653 ( 3.558 -5.172 2.048) 6.603 8.756 ( 3.913 -1.330 2.088) 4.630 8.782 ( 2.374 -5.363 -0.187) 5.868 8.942 ( 1.289 3.242 -5.087) 6.168 9.061 ( 2.077 -1.197 -6.248) 6.692 9.268 ( 0.204 3.869 0.502) 3.906 9.320 ( 2.064 3.306 -1.145) 4.062 9.475 ( -0.487 -0.448 1.832) 1.947 9.506 ( -0.793 0.321 -2.111) 2.277 9.676 ( -0.805 2.451 3.151) 4.072 9.813 ( -0.189 3.707 -2.184) 4.306 9.879 ( -2.911 -0.256 6.417) 7.051 9.899 ( 1.118 -1.846 10.245) 10.470 10.065 ( -4.159 -0.340 0.337) 4.186 10.129 ( 0.626 0.173 3.903) 3.956 10.210 ( -0.603 -3.366 4.083) 5.325 10.245 ( -5.986 -1.373 -6.256) 8.767 10.400 ( -3.753 0.562 4.026) 5.533 10.439 ( -3.873 2.387 1.363) 4.749 10.498 ( -2.108 -4.559 -1.274) 5.182 10.636 ( 0.159 -1.598 -7.816) 7.980 10.683 ( -3.230 -2.697 -1.753) 4.559 10.827 ( -3.002 -0.824 -0.121) 3.115 10.923 ( -1.692 2.522 -7.798) 8.368 11.083 ( 0.303 -3.343 -9.781) 10.341 11.417 ( -4.268 -1.819 -1.583) 4.902 11.428 ( -3.550 -2.806 0.226) 4.531 11.510 ( -3.678 3.346 -0.731) 5.025 11.694 ( 1.993 -6.652 -1.790) 7.171 12.114 ( -0.666 9.844 -0.132) 9.868 12.255 ( 5.206 0.898 -0.706) 5.330 12.410 ( 0.390 -2.156 -1.313) 2.554 12.447 ( 1.404 -1.774 -1.728) 2.847 12.773 ( -2.142 3.626 10.579) 11.387 12.920 ( -11.254 0.176 -1.500) 11.355 13.493 ( -7.176 4.049 4.409) 9.345 13.659 ( -4.093 -3.357 -1.941) 5.638 13.777 ( -2.682 1.632 0.860) 3.255 13.791 ( -0.847 1.433 2.223) 2.777 13.814 ( -3.818 1.720 1.538) 4.461 13.899 ( -6.058 -1.344 1.270) 6.334 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 4.909 10.439 8.228) 14.170 1.475 ( 12.658 2.483 5.042) 13.850 1.640 ( -8.992 -10.364 7.200) 15.495 1.771 ( 1.964 -3.838 -0.907) 4.405 1.828 ( 1.955 10.295 -9.087) 13.870 2.049 ( -12.400 0.263 -0.015) 12.403 2.142 ( -4.690 -0.269 -5.458) 7.201 2.286 ( 1.906 -6.561 -9.868) 12.002 2.390 ( 0.137 -0.220 -0.148) 0.298 2.507 ( 5.734 3.114 -8.166) 10.453 2.584 ( 4.481 0.955 1.489) 4.817 2.627 ( 4.901 -1.897 -2.693) 5.905 2.702 ( 0.353 5.169 1.913) 5.523 2.860 ( -3.177 1.299 -2.890) 4.487 2.972 ( 2.850 -0.167 5.986) 6.632 3.085 ( -2.112 -0.106 1.384) 2.528 3.156 ( -3.141 4.750 -0.970) 5.777 3.264 ( 6.725 2.676 -2.659) 7.711 3.297 ( -1.054 4.298 -2.857) 5.267 3.342 ( -5.247 -6.200 0.128) 8.124 3.497 ( -2.602 -0.800 -0.612) 2.790 3.578 ( 1.152 -2.189 -2.750) 3.699 3.624 ( -1.660 -3.503 6.020) 7.160 3.699 ( -1.782 4.276 1.295) 4.810 3.778 ( -2.897 0.573 6.430) 7.076 3.904 ( 2.477 1.611 -5.709) 6.429 3.937 ( 3.114 -4.765 2.917) 6.397 4.038 ( -0.494 -5.661 -0.261) 5.689 4.155 ( -2.525 0.093 -0.646) 2.608 4.177 ( 3.018 -4.496 2.743) 6.070 4.281 ( 0.376 -1.671 0.808) 1.894 4.295 ( 1.933 1.122 -0.338) 2.260 4.377 ( -4.704 -3.010 -2.399) 6.078 4.505 ( 2.486 -1.392 6.898) 7.463 4.597 ( -0.366 2.112 -1.067) 2.394 4.736 ( 5.858 2.547 0.034) 6.388 4.756 ( -3.891 0.803 -0.468) 4.000 4.800 ( -1.132 -1.577 2.458) 3.132 4.892 ( 3.060 2.630 -3.160) 5.125 4.918 ( 1.788 2.789 6.375) 7.184 5.037 ( 1.448 -2.913 -1.807) 3.722 5.145 ( 0.346 -0.777 1.071) 1.368 5.157 ( 2.156 -3.304 0.743) 4.015 5.201 ( 1.242 -1.309 -2.430) 3.027 5.319 ( -0.335 4.852 2.252) 5.359 5.394 ( 6.504 1.260 0.317) 6.632 5.453 ( 3.016 -2.422 1.015) 3.999 5.533 ( 1.436 -3.659 -0.274) 3.940 5.607 ( 1.164 5.246 -4.635) 7.097 5.664 ( 3.188 4.250 0.434) 5.331 5.708 ( 2.720 1.105 -2.797) 4.055 5.766 ( 0.850 -0.253 1.597) 1.826 5.810 ( 1.324 -0.276 -1.283) 1.864 5.936 ( 3.919 -2.529 -0.463) 4.687 5.985 ( 4.605 3.003 -0.422) 5.514 6.067 ( 4.165 -0.777 0.552) 4.272 6.082 ( 5.983 -0.933 2.841) 6.689 6.168 ( 5.582 -3.598 -4.846) 8.222 6.308 ( 10.777 3.940 -3.185) 11.909 6.431 ( 12.933 -1.197 -2.579) 13.242 6.587 ( 1.595 5.355 1.415) 5.764 6.791 ( 4.349 0.102 -4.120) 5.992 6.888 ( 4.759 -6.771 5.007) 9.673 6.952 ( 7.410 -6.601 5.173) 11.191 7.150 ( 4.764 0.032 0.648) 4.808 7.281 ( 5.746 -5.931 -2.543) 8.641 7.377 ( 5.708 3.708 6.742) 9.581 7.383 ( 9.568 2.766 -3.843) 10.676 7.568 ( 6.013 4.070 -0.220) 7.264 7.659 ( 8.381 4.002 -2.470) 9.610 7.745 ( 10.294 1.509 3.680) 11.036 7.817 ( 10.279 -0.671 2.344) 10.564 8.001 ( 11.513 3.410 2.602) 12.286 8.083 ( 5.087 3.869 -4.149) 7.620 8.181 ( 0.518 0.897 3.732) 3.873 8.224 ( 5.695 2.537 0.696) 6.273 8.282 ( 1.778 -0.918 0.852) 2.175 8.506 ( 1.786 -4.636 -1.677) 5.244 8.576 ( 2.190 -0.185 0.730) 2.316 8.729 ( 3.392 -5.810 -1.711) 6.942 8.808 ( 0.833 -3.422 -1.801) 3.956 8.883 ( 7.008 -6.557 -2.994) 10.054 9.033 ( 7.420 1.778 -0.104) 7.631 9.105 ( 1.503 -1.447 -3.139) 3.769 9.273 ( 0.017 4.139 2.251) 4.712 9.355 ( 1.298 5.536 -2.624) 6.263 9.454 ( -1.769 -1.227 1.639) 2.706 9.484 ( -1.771 0.131 -0.577) 1.867 9.668 ( -0.054 3.594 1.850) 4.042 9.756 ( -5.010 -0.034 2.031) 5.406 9.795 ( -4.876 0.098 2.683) 5.566 9.937 ( 0.178 4.018 6.341) 7.509 9.983 ( -1.444 -7.223 1.690) 7.558 10.106 ( -5.374 -1.836 0.548) 5.705 10.178 ( 1.776 1.420 -4.377) 4.932 10.195 ( -0.469 0.092 3.976) 4.005 10.310 ( -4.210 3.233 4.154) 6.740 10.345 ( -5.410 2.164 -0.215) 5.831 10.439 ( -3.625 -3.062 -0.810) 4.813 10.578 ( -5.716 -1.025 -8.154) 10.011 10.623 ( -2.414 -4.679 -4.397) 6.860 10.716 ( -6.953 -3.555 -0.755) 7.846 10.881 ( -2.983 6.267 -4.781) 8.428 11.055 ( -2.234 -2.849 -8.525) 9.262 11.294 ( -6.605 -1.363 -1.711) 6.958 11.350 ( -4.413 -2.888 0.260) 5.280 11.420 ( -5.399 3.806 -0.826) 6.658 11.714 ( 0.134 -8.940 -1.976) 9.156 12.093 ( -1.583 10.136 -0.596) 10.276 12.298 ( -2.824 -3.426 -0.812) 4.514 12.398 ( -1.448 -3.469 0.942) 3.875 12.487 ( 0.617 -4.827 -0.617) 4.905 12.682 ( -3.134 8.368 -0.635) 8.959 12.771 ( -1.989 2.870 4.206) 5.467 13.294 ( -11.555 4.382 7.328) 14.367 13.503 ( -10.536 -3.499 -1.941) 11.270 13.721 ( -2.297 0.535 0.998) 2.561 13.733 ( -3.335 0.581 1.381) 3.656 13.777 ( -0.854 1.322 2.380) 2.853 13.831 ( -1.500 -0.761 1.584) 2.310 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 9.767 4.361 -7.072) 12.823 1.363 ( -14.965 3.186 3.496) 15.695 1.547 ( -5.400 -5.453 -9.939) 12.557 1.650 ( -15.395 -4.887 0.372) 16.156 1.928 ( 8.963 6.184 -8.205) 13.634 2.011 ( 13.414 6.468 9.409) 17.616 2.202 ( 6.029 -2.543 1.493) 6.711 2.319 ( 0.711 -8.036 -3.663) 8.860 2.372 ( 0.908 1.874 -4.057) 4.561 2.569 ( -5.757 2.736 -2.820) 6.970 2.644 ( 2.415 1.415 -3.911) 4.809 2.692 ( 4.887 3.978 -4.079) 7.506 2.763 ( 6.968 -3.550 0.171) 7.822 2.874 ( -4.894 -3.907 -2.571) 6.769 2.883 ( -2.080 -0.806 -4.291) 4.837 3.030 ( -3.515 -3.402 1.933) 5.259 3.137 ( -2.992 7.416 6.170) 10.100 3.205 ( -5.277 1.792 -0.388) 5.587 3.236 ( -3.562 -1.027 0.144) 3.710 3.384 ( -2.625 7.295 0.474) 7.768 3.440 ( -0.509 2.114 7.232) 7.552 3.531 ( -2.125 2.685 -0.231) 3.432 3.622 ( -0.929 3.060 1.315) 3.458 3.698 ( 5.972 -7.489 -2.044) 9.795 3.796 ( -2.556 -3.896 3.432) 5.787 3.888 ( -6.019 -2.632 0.397) 6.581 3.940 ( 0.563 -2.342 -1.307) 2.741 4.020 ( 1.978 -5.075 1.371) 5.616 4.113 ( -1.103 2.695 -0.589) 2.971 4.209 ( -0.715 -0.558 -6.014) 6.082 4.267 ( -0.845 1.050 4.440) 4.640 4.359 ( 1.852 0.745 -0.936) 2.205 4.375 ( 8.191 -3.226 5.840) 10.565 4.490 ( -4.010 6.323 5.321) 9.185 4.614 ( 2.248 -2.500 -1.005) 3.509 4.679 ( -2.435 -4.641 0.870) 5.313 4.752 ( -2.395 -1.266 6.358) 6.911 4.854 ( 4.348 0.812 -0.975) 4.529 4.976 ( 3.075 2.527 1.681) 4.321 5.007 ( 6.894 2.010 -6.971) 10.008 5.071 ( 0.812 -2.874 -1.014) 3.154 5.137 ( -0.408 -4.707 1.255) 4.888 5.213 ( 1.716 -0.188 1.101) 2.048 5.240 ( 2.681 -0.305 -2.548) 3.711 5.293 ( -0.915 3.966 1.563) 4.360 5.461 ( -1.279 -3.621 2.594) 4.634 5.514 ( 4.008 0.503 3.422) 5.294 5.588 ( 2.464 -1.985 0.540) 3.210 5.643 ( 3.023 5.072 -4.737) 7.570 5.715 ( 2.284 1.772 -0.502) 2.934 5.743 ( -0.129 2.051 -2.982) 3.622 5.829 ( 3.202 -1.089 -1.229) 3.599 5.843 ( 2.688 1.121 -2.079) 3.578 5.976 ( 0.529 -3.178 -2.662) 4.179 6.080 ( 4.524 2.922 -0.579) 5.417 6.152 ( 3.779 1.866 4.549) 6.201 6.195 ( 3.038 -1.275 0.739) 3.377 6.283 ( 6.104 -4.323 0.487) 7.495 6.520 ( 9.330 3.988 -3.413) 10.705 6.626 ( 2.914 3.077 0.436) 4.261 6.628 ( 5.371 0.190 -1.036) 5.473 6.838 ( 0.657 -3.331 -5.328) 6.318 7.034 ( 7.449 -3.048 3.768) 8.887 7.144 ( 9.418 -5.773 5.526) 12.352 7.277 ( 7.597 -0.403 0.512) 7.625 7.374 ( 3.801 -5.470 -0.336) 6.669 7.468 ( 2.951 8.309 4.291) 9.806 7.551 ( 6.544 4.630 -2.895) 8.523 7.721 ( 8.834 2.461 4.180) 10.078 7.783 ( 3.909 1.416 -4.480) 6.112 7.946 ( 9.234 -0.500 2.676) 9.627 8.008 ( 7.925 -3.509 4.463) 9.749 8.166 ( 1.624 1.476 6.167) 6.546 8.174 ( 6.106 2.076 1.520) 6.626 8.265 ( 8.355 3.903 -0.075) 9.222 8.358 ( 5.845 -0.369 -0.659) 5.894 8.407 ( 9.558 3.237 -2.129) 10.313 8.539 ( 1.707 -2.935 -1.110) 3.572 8.625 ( 2.324 2.631 -1.510) 3.822 8.805 ( 4.412 -4.759 0.706) 6.528 8.836 ( 2.726 -2.191 -1.159) 3.684 9.028 ( 5.847 -7.567 -6.508) 11.568 9.103 ( 0.443 -0.465 0.642) 0.908 9.146 ( -0.262 -2.523 0.167) 2.542 9.273 ( 0.174 1.579 1.795) 2.397 9.351 ( -3.056 -0.868 1.685) 3.596 9.414 ( 0.127 4.666 -0.887) 4.751 9.461 ( 0.357 2.838 0.189) 2.867 9.583 ( -7.898 3.284 4.643) 9.732 9.661 ( -6.716 0.830 -0.015) 6.767 9.727 ( 0.396 -1.769 0.555) 1.896 9.919 ( -0.127 -0.686 -0.325) 0.770 9.994 ( -2.792 -4.333 5.855) 7.801 10.003 ( -1.713 0.429 -2.089) 2.735 10.192 ( 1.509 2.210 -2.404) 3.597 10.218 ( -3.854 2.828 -1.780) 5.101 10.234 ( -0.682 3.073 4.922) 5.843 10.285 ( 1.293 4.607 1.417) 4.990 10.353 ( -4.851 -1.815 -0.864) 5.251 10.451 ( -4.720 -2.031 -9.090) 10.442 10.563 ( -3.230 -3.768 -5.361) 7.306 10.573 ( -6.156 -3.783 0.574) 7.248 10.805 ( -3.835 5.763 -3.358) 7.694 11.001 ( -2.862 -2.352 -7.701) 8.546 11.162 ( -6.239 -0.228 -0.083) 6.244 11.257 ( -4.747 2.855 -0.651) 5.577 11.310 ( -4.058 -2.540 -0.242) 4.794 11.684 ( -3.675 -12.957 -2.764) 13.749 12.044 ( -3.373 8.604 0.758) 9.272 12.156 ( -7.331 4.606 -0.649) 8.682 12.379 ( -0.096 -6.153 2.756) 6.743 12.458 ( -2.138 -7.623 -0.307) 7.923 12.742 ( 4.425 5.256 -0.791) 6.916 12.776 ( 2.915 3.920 -0.160) 4.887 13.069 ( -9.868 4.573 7.653) 13.298 13.283 ( -9.919 -3.453 -2.489) 10.793 13.680 ( -1.784 0.307 1.502) 2.352 13.688 ( -1.195 -0.156 0.795) 1.444 13.761 ( -0.734 1.503 2.054) 2.649 13.810 ( -0.728 -0.573 0.518) 1.061 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -5.452 4.389 -2.160) 7.325 1.287 ( -5.605 1.003 -8.043) 9.854 1.419 ( -3.612 -3.339 -6.608) 8.238 1.546 ( 5.630 -4.776 -11.049) 13.289 2.102 ( 7.249 2.298 -3.577) 8.404 2.243 ( 1.624 0.845 0.624) 1.934 2.277 ( -0.507 -2.628 5.578) 6.187 2.368 ( 6.582 -2.491 0.857) 7.090 2.431 ( 3.924 3.595 -1.272) 5.472 2.519 ( 1.419 0.394 -3.817) 4.091 2.583 ( -1.001 -6.007 -1.384) 6.245 2.679 ( -2.897 2.587 -2.949) 4.877 2.732 ( -5.066 -1.319 -1.439) 5.430 2.927 ( -2.832 1.328 1.244) 3.366 2.974 ( 8.946 8.032 -3.128) 12.423 2.992 ( -3.572 4.753 1.945) 6.256 3.022 ( 3.051 -4.368 0.490) 5.351 3.062 ( -9.015 6.223 -3.008) 11.360 3.195 ( -4.123 5.463 5.530) 8.799 3.237 ( -1.782 0.341 2.291) 2.922 3.488 ( -0.910 0.469 1.668) 1.957 3.503 ( 0.810 -2.832 -1.344) 3.238 3.586 ( -7.896 -1.346 2.499) 8.391 3.689 ( 3.213 2.624 2.340) 4.763 3.786 ( 1.129 -7.267 0.945) 7.414 3.851 ( -1.837 0.470 -0.853) 2.079 3.893 ( -4.537 -11.282 0.411) 12.168 4.036 ( -0.258 0.505 -0.477) 0.741 4.077 ( -1.594 1.848 -1.464) 2.846 4.212 ( -0.574 -0.120 -4.722) 4.759 4.362 ( -2.981 1.363 4.383) 5.473 4.401 ( 3.879 -1.170 1.884) 4.469 4.432 ( 9.377 6.010 8.365) 13.929 4.541 ( 5.088 -2.515 4.799) 7.432 4.622 ( 0.221 -2.696 0.493) 2.750 4.680 ( 2.950 -0.318 -2.545) 3.909 4.765 ( 2.732 -0.828 3.387) 4.429 4.884 ( -1.307 -1.128 0.369) 1.765 5.005 ( -4.927 0.611 -1.480) 5.180 5.021 ( -0.128 1.176 0.150) 1.193 5.109 ( 1.117 -0.613 -3.284) 3.522 5.134 ( -0.050 -4.174 2.435) 4.832 5.241 ( 0.329 1.796 0.172) 1.834 5.292 ( 1.497 -0.175 -0.492) 1.585 5.305 ( 3.579 4.030 -3.363) 6.353 5.452 ( 0.273 -4.440 1.753) 4.782 5.551 ( 0.386 -0.210 4.601) 4.622 5.611 ( -0.213 -3.257 2.631) 4.192 5.681 ( -0.623 3.527 -4.030) 5.392 5.746 ( 0.995 3.796 -3.624) 5.341 5.749 ( 1.214 1.824 -3.635) 4.244 5.858 ( 0.517 -2.266 -1.108) 2.575 5.905 ( 2.204 0.125 -1.357) 2.591 5.972 ( -0.581 -2.737 -2.920) 4.044 6.152 ( 2.231 2.121 -0.627) 3.142 6.201 ( -0.775 1.961 5.317) 5.720 6.221 ( 1.945 0.963 -0.218) 2.181 6.392 ( 3.956 -4.324 5.189) 7.828 6.641 ( 2.267 3.129 0.781) 3.942 6.676 ( 2.127 2.913 -4.575) 5.826 6.692 ( 0.506 0.842 -0.907) 1.337 6.832 ( -0.910 -3.646 -4.888) 6.165 7.130 ( 1.644 -1.915 5.900) 6.418 7.248 ( 0.702 -6.495 2.757) 7.091 7.415 ( 3.977 1.931 -1.350) 4.623 7.440 ( 2.011 0.555 6.475) 6.803 7.493 ( -1.049 2.718 -1.826) 3.438 7.649 ( 3.057 5.183 2.395) 6.476 7.810 ( 0.609 -1.949 -2.026) 2.877 7.912 ( 7.433 1.226 1.128) 7.617 8.040 ( -0.415 -0.476 -1.212) 1.366 8.154 ( 3.850 -2.088 7.043) 8.294 8.240 ( 5.501 -1.472 4.277) 7.122 8.281 ( 4.204 -1.477 3.725) 5.807 8.417 ( 7.434 5.303 -2.795) 9.550 8.459 ( 2.498 0.602 -0.560) 2.629 8.527 ( 2.042 3.414 -2.954) 4.955 8.610 ( 3.327 0.396 0.232) 3.358 8.655 ( 2.540 1.740 -4.374) 5.349 8.835 ( -5.883 -4.778 1.482) 7.723 8.953 ( 8.834 -0.697 0.884) 8.906 9.047 ( 2.378 -1.144 0.618) 2.710 9.084 ( -1.960 -0.185 2.294) 3.022 9.192 ( -4.366 0.594 -0.140) 4.409 9.222 ( 4.625 -4.367 0.189) 6.363 9.307 ( -4.302 -2.880 2.631) 5.808 9.389 ( 0.025 2.143 -1.311) 2.512 9.453 ( -4.657 1.339 1.841) 5.184 9.508 ( -5.076 -0.559 -0.565) 5.138 9.524 ( 1.445 0.613 -0.632) 1.692 9.734 ( 0.267 -0.109 -0.010) 0.289 9.902 ( -1.995 2.806 1.998) 3.981 9.957 ( 0.842 -6.062 3.191) 6.902 9.989 ( -0.922 3.208 -4.589) 5.674 10.108 ( -5.376 3.598 -1.864) 6.732 10.178 ( -5.130 2.607 -0.749) 5.803 10.244 ( -2.108 0.204 2.347) 3.161 10.278 ( 3.602 1.920 -5.108) 6.538 10.303 ( 0.782 3.514 2.641) 4.465 10.453 ( -2.534 -1.560 -0.534) 3.023 10.486 ( 4.094 -0.794 -6.727) 7.915 10.537 ( 0.371 -1.596 -3.855) 4.188 10.744 ( -1.866 3.493 -2.113) 4.488 10.936 ( -3.366 -2.870 -7.213) 8.461 11.051 ( -3.973 2.190 2.969) 5.422 11.185 ( -1.435 3.289 -2.994) 4.673 11.283 ( 1.307 -6.699 2.149) 7.156 11.560 ( -7.115 -13.066 -3.582) 15.302 11.986 ( -1.166 7.153 1.419) 7.385 12.076 ( -1.370 8.503 -2.908) 9.090 12.377 ( -1.569 -10.308 4.213) 11.246 12.415 ( -0.956 -7.580 0.953) 7.699 12.764 ( -1.868 6.741 4.456) 8.294 12.869 ( 2.112 0.929 -0.224) 2.318 12.950 ( 0.971 4.996 0.788) 5.150 13.141 ( -2.971 -2.693 -4.359) 5.923 13.655 ( -0.685 0.433 1.527) 1.728 13.675 ( -0.185 -0.489 0.623) 0.813 13.752 ( -0.124 1.533 1.841) 2.399 13.800 ( -0.241 -0.521 -0.030) 0.575 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 7.690 0.731 -6.756) 10.262 1.283 ( 6.920 -1.897 -2.596) 7.630 1.396 ( 3.117 1.453 -7.034) 7.829 1.573 ( -5.352 -4.347 -12.719) 14.468 2.062 ( -11.844 1.443 -1.104) 11.982 2.164 ( -5.656 -3.736 4.506) 8.139 2.320 ( 7.521 4.005 0.403) 8.531 2.441 ( -1.950 -1.004 -1.809) 2.843 2.497 ( -3.043 0.403 -2.590) 4.016 2.548 ( 4.853 -4.340 -0.805) 6.560 2.614 ( 3.040 -4.557 -4.887) 7.341 2.691 ( 5.702 -4.321 2.362) 7.534 2.729 ( -8.360 4.576 -5.720) 11.115 2.811 ( -3.110 10.343 0.001) 10.800 2.902 ( 6.513 10.099 1.070) 12.064 2.924 ( -1.850 0.987 0.083) 2.098 3.060 ( -0.170 1.947 1.275) 2.333 3.137 ( 1.812 0.608 -0.491) 1.973 3.223 ( 4.204 0.700 0.808) 4.338 3.322 ( 5.756 -0.789 1.865) 6.102 3.411 ( 2.155 5.479 1.690) 6.126 3.482 ( -1.465 -1.088 4.267) 4.641 3.568 ( -0.942 -3.672 2.049) 4.309 3.683 ( -4.368 -6.242 -0.967) 7.679 3.752 ( -0.427 0.919 -0.960) 1.396 3.781 ( 1.429 -1.785 5.458) 5.918 3.972 ( 2.800 -3.145 1.994) 4.659 4.002 ( -0.069 0.154 -1.943) 1.951 4.054 ( -2.255 0.065 -2.437) 3.320 4.116 ( -4.139 -5.321 -0.019) 6.741 4.298 ( -4.704 -0.310 4.891) 6.793 4.410 ( -2.463 -1.881 4.002) 5.061 4.592 ( 2.137 -1.549 4.928) 5.590 4.613 ( 2.395 -0.578 0.683) 2.556 4.708 ( 1.204 -0.035 0.138) 1.212 4.747 ( 3.162 0.988 1.605) 3.681 4.814 ( 3.336 4.461 -4.512) 7.168 4.843 ( -1.173 -1.412 -1.706) 2.505 4.903 ( 0.314 0.762 -0.365) 0.901 5.032 ( 0.135 0.048 0.733) 0.747 5.095 ( -1.882 -1.629 -1.183) 2.756 5.127 ( -0.642 1.861 0.558) 2.046 5.212 ( -1.852 1.332 -1.838) 2.929 5.289 ( -1.846 -2.236 -0.779) 3.002 5.389 ( 2.119 2.346 0.837) 3.270 5.445 ( -0.452 -0.781 -0.156) 0.916 5.546 ( -1.609 -1.804 3.994) 4.669 5.580 ( -2.811 -3.370 1.735) 4.719 5.662 ( 0.069 2.323 -1.579) 2.809 5.738 ( -0.956 2.723 -2.589) 3.877 5.772 ( 0.281 0.237 -6.067) 6.078 5.851 ( -1.447 -1.916 0.783) 2.526 5.922 ( -0.388 0.125 -1.167) 1.236 5.965 ( 0.129 -1.516 -3.129) 3.480 6.148 ( -3.694 2.259 0.585) 4.369 6.164 ( -1.139 1.137 -0.309) 1.639 6.261 ( 0.949 2.591 4.907) 5.629 6.437 ( 0.252 -4.591 5.344) 7.050 6.642 ( -4.783 2.014 -2.591) 5.801 6.650 ( -2.978 1.895 -2.515) 4.334 6.668 ( -1.559 2.073 -0.215) 2.603 6.800 ( -2.294 -3.113 -4.229) 5.730 7.109 ( -3.761 -1.157 8.959) 9.785 7.208 ( -4.519 -4.940 0.778) 6.740 7.402 ( -6.334 -0.214 -0.501) 6.357 7.418 ( -4.801 1.644 4.008) 6.466 7.438 ( -1.525 3.230 4.232) 5.538 7.670 ( -1.161 0.512 3.870) 4.073 7.803 ( -1.313 -0.283 -5.307) 5.474 7.942 ( -7.232 -1.458 -4.814) 8.809 7.992 ( -1.964 5.179 7.361) 9.212 8.179 ( -0.861 -1.702 3.417) 3.913 8.281 ( -3.040 -1.346 2.697) 4.281 8.319 ( -1.173 -3.463 4.750) 5.995 8.409 ( -6.089 3.061 -5.072) 8.496 8.461 ( -4.789 -1.861 0.678) 5.183 8.585 ( 3.240 1.277 -1.917) 3.975 8.636 ( -7.943 1.676 -2.343) 8.449 8.669 ( 1.813 3.641 -4.557) 6.109 8.766 ( 5.889 -0.039 1.037) 5.980 8.981 ( -3.149 -2.966 0.171) 4.329 9.103 ( 1.686 -2.474 -0.060) 2.994 9.154 ( -1.934 0.923 2.407) 3.223 9.202 ( 3.986 0.914 -0.093) 4.090 9.234 ( 0.273 -0.725 3.617) 3.699 9.265 ( 4.678 0.758 0.712) 4.793 9.317 ( -2.761 0.459 -1.307) 3.089 9.395 ( -4.637 0.827 1.226) 4.868 9.463 ( 1.244 -3.488 2.091) 4.253 9.598 ( 5.478 -3.742 -3.258) 7.391 9.770 ( 3.335 3.000 1.488) 4.726 9.866 ( -1.239 3.130 2.539) 4.217 9.929 ( -6.745 2.481 1.654) 7.375 9.977 ( 1.160 -0.517 3.602) 3.819 10.020 ( -0.606 0.781 -4.727) 4.829 10.107 ( -0.904 -3.979 -0.119) 4.083 10.220 ( 0.029 2.987 -1.102) 3.184 10.352 ( 2.186 2.804 -0.063) 3.556 10.375 ( 4.814 0.084 -3.891) 6.190 10.428 ( 2.465 3.101 -0.347) 3.976 10.550 ( 1.000 -1.504 -2.469) 3.059 10.589 ( 4.087 -0.846 -9.335) 10.226 10.729 ( 0.464 2.470 -1.315) 2.836 10.866 ( -3.001 -2.861 -6.080) 7.360 11.035 ( 2.467 2.468 3.817) 5.172 11.202 ( 3.022 3.023 -2.979) 5.210 11.340 ( 2.698 -10.087 2.852) 10.824 11.483 ( 1.636 -7.147 -3.260) 8.024 11.997 ( 1.735 5.979 0.505) 6.246 12.080 ( 1.924 7.433 -2.548) 8.090 12.323 ( -2.570 -8.189 3.690) 9.342 12.408 ( -0.969 -6.785 2.984) 7.476 12.683 ( -5.095 6.961 4.401) 9.684 12.886 ( 1.980 -3.693 2.278) 4.770 13.071 ( 7.952 4.236 -4.034) 9.872 13.168 ( 5.052 -0.669 -4.345) 6.697 13.653 ( 0.404 0.569 1.496) 1.651 13.679 ( 0.550 -0.544 0.637) 1.003 13.758 ( 0.770 1.459 1.789) 2.434 13.803 ( 0.535 -0.414 -0.311) 0.744 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -5.558 0.492 -3.080) 6.373 1.417 ( 6.610 -0.884 -9.776) 11.834 1.512 ( 4.006 2.281 4.475) 6.424 1.594 ( 15.976 -1.604 -5.234) 16.888 1.845 ( -11.225 1.641 1.305) 11.419 1.998 ( -3.396 -3.661 2.569) 5.615 2.287 ( -9.353 -2.307 -1.635) 9.771 2.393 ( -1.463 -1.740 -3.049) 3.803 2.466 ( -10.538 8.070 -9.705) 16.442 2.565 ( -2.431 0.232 -1.695) 2.972 2.572 ( 4.900 7.059 -4.178) 9.555 2.730 ( 4.368 -3.250 2.845) 6.143 2.768 ( 3.932 4.803 -5.222) 8.112 2.878 ( 2.495 -4.367 -2.287) 5.525 2.943 ( 1.538 -5.470 -2.066) 6.046 3.020 ( 1.109 -2.728 4.225) 5.150 3.059 ( 4.914 0.930 1.652) 5.267 3.136 ( -0.230 1.192 -2.548) 2.822 3.238 ( -2.874 5.735 2.054) 6.736 3.404 ( 2.961 6.927 2.689) 7.999 3.463 ( 0.737 -0.685 2.185) 2.405 3.531 ( 4.373 2.070 2.486) 5.440 3.595 ( 5.173 1.062 1.244) 5.425 3.676 ( -2.192 -0.330 1.465) 2.658 3.767 ( 0.884 0.544 3.388) 3.543 3.827 ( 5.296 -4.966 2.605) 7.714 3.921 ( 2.036 -1.215 1.120) 2.622 4.016 ( 1.025 -2.509 1.150) 2.945 4.060 ( -1.934 -2.068 -0.395) 2.859 4.114 ( 0.466 -3.436 0.568) 3.514 4.182 ( -4.213 -3.494 0.435) 5.491 4.353 ( -0.718 -5.294 6.223) 8.201 4.541 ( -5.376 -0.774 1.319) 5.589 4.616 ( -1.767 -0.529 2.517) 3.120 4.644 ( -3.545 0.572 -1.293) 3.816 4.776 ( -0.531 -0.462 -3.402) 3.474 4.840 ( 0.336 -0.158 -0.887) 0.962 4.906 ( 3.712 3.367 -2.435) 5.572 4.944 ( -1.434 -1.574 -5.183) 5.603 5.007 ( -2.496 2.340 -1.583) 3.770 5.065 ( -1.098 0.988 3.216) 3.539 5.101 ( -1.700 2.139 -0.558) 2.789 5.181 ( -2.287 2.113 -0.174) 3.118 5.247 ( -1.276 -3.306 -3.757) 5.165 5.356 ( -2.925 1.540 2.910) 4.404 5.453 ( -1.104 2.399 0.993) 2.821 5.488 ( -4.118 -1.790 4.028) 6.033 5.522 ( -0.958 -0.850 -1.170) 1.734 5.675 ( 0.521 1.408 1.750) 2.306 5.726 ( -0.057 0.393 -3.916) 3.936 5.763 ( -1.143 -0.703 -4.520) 4.715 5.790 ( -3.655 -1.300 1.383) 4.118 5.914 ( -0.088 0.820 -1.275) 1.519 5.962 ( -0.800 -0.649 -2.247) 2.472 6.061 ( -4.548 2.528 -2.093) 5.608 6.116 ( -3.401 0.136 1.193) 3.607 6.232 ( -4.285 2.914 3.370) 6.182 6.400 ( -4.421 -3.744 2.547) 6.328 6.496 ( -9.077 0.837 -2.705) 9.509 6.509 ( -9.331 0.853 -2.000) 9.581 6.643 ( -1.894 1.412 1.969) 3.075 6.742 ( -2.860 -2.637 -3.687) 5.360 6.981 ( -8.880 -0.164 9.413) 12.941 7.071 ( -7.979 -2.775 1.479) 8.577 7.231 ( -8.833 -1.898 1.969) 9.247 7.315 ( -4.704 -1.617 4.617) 6.787 7.395 ( -3.037 4.979 4.257) 7.220 7.607 ( -4.851 -2.753 1.285) 5.724 7.726 ( -8.129 0.848 1.903) 8.392 7.775 ( -5.945 0.830 -6.038) 8.515 7.878 ( -9.072 4.429 3.539) 10.698 8.075 ( -14.022 -4.065 3.544) 15.023 8.084 ( -7.787 2.537 0.843) 8.233 8.284 ( -3.482 0.966 -0.226) 3.620 8.319 ( -2.230 -0.963 1.261) 2.737 8.377 ( -4.914 -3.087 2.165) 6.194 8.432 ( -7.417 6.419 -2.119) 10.035 8.550 ( -5.459 3.304 -4.692) 7.920 8.738 ( -1.476 -4.322 -2.232) 5.083 8.809 ( 2.783 -1.087 -4.385) 5.306 8.950 ( -7.937 -0.972 -0.726) 8.029 9.009 ( -2.636 -2.305 -6.695) 7.555 9.136 ( -0.989 -1.757 0.985) 2.244 9.168 ( -0.258 -2.601 0.316) 2.633 9.264 ( -2.295 2.677 1.168) 3.715 9.302 ( -1.241 0.687 2.454) 2.835 9.380 ( 4.862 2.678 2.765) 6.201 9.410 ( 3.656 0.212 -0.662) 3.721 9.528 ( 6.452 2.870 5.593) 9.008 9.691 ( 2.759 -1.932 -1.962) 3.898 9.802 ( -3.235 1.716 2.906) 4.675 9.819 ( -0.448 2.561 3.204) 4.126 9.877 ( 3.004 2.779 2.012) 4.560 10.035 ( 2.310 -0.365 -2.918) 3.739 10.062 ( 6.767 -4.412 6.075) 10.108 10.130 ( 2.585 -6.181 2.979) 7.332 10.258 ( 3.703 2.761 -2.891) 5.449 10.377 ( 1.516 2.925 -2.389) 4.069 10.433 ( 1.459 -0.504 -3.178) 3.533 10.508 ( 2.121 0.516 -5.095) 5.542 10.589 ( 3.939 -0.251 -0.296) 3.958 10.665 ( 3.667 -3.035 -5.158) 7.019 10.761 ( 2.268 1.972 -4.650) 5.536 10.831 ( 0.558 -0.930 -4.603) 4.729 11.133 ( 6.469 2.914 2.282) 7.453 11.298 ( 6.106 3.796 -1.779) 7.406 11.387 ( 2.703 -6.700 -2.709) 7.716 11.581 ( 5.212 -6.804 1.529) 8.706 12.042 ( 2.326 5.162 0.099) 5.662 12.160 ( 5.971 4.551 -0.180) 7.509 12.293 ( -0.584 -4.595 3.069) 5.557 12.374 ( -1.909 -4.551 2.933) 5.741 12.589 ( -3.749 8.721 3.312) 10.054 12.956 ( 4.475 -8.414 -0.423) 9.540 13.239 ( 8.549 4.391 -1.886) 9.794 13.323 ( 9.719 -0.498 -3.338) 10.288 13.671 ( 1.322 0.623 1.504) 2.097 13.699 ( 1.445 -0.480 1.067) 1.859 13.784 ( 1.682 1.498 1.708) 2.827 13.822 ( 1.272 -0.158 -0.511) 1.380 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -7.343 10.296 8.714) 15.358 1.475 ( -10.606 7.077 7.108) 14.598 1.594 ( -0.619 -0.856 0.015) 1.056 1.643 ( 6.837 -6.430 0.793) 9.419 1.898 ( 8.763 -5.534 -2.446) 10.648 2.062 ( 3.731 -6.168 2.859) 7.755 2.189 ( -3.731 6.571 -10.392) 12.848 2.283 ( 0.324 2.152 -7.299) 7.616 2.326 ( -4.910 -3.849 -6.215) 8.806 2.516 ( -0.532 3.885 -0.591) 3.966 2.618 ( -0.149 2.630 -7.065) 7.540 2.755 ( -3.185 0.964 4.336) 5.466 2.784 ( -6.873 -1.809 -2.083) 7.406 2.855 ( 0.510 2.271 1.931) 3.025 2.985 ( 3.616 -5.542 -5.306) 8.482 3.037 ( 1.857 4.307 -1.894) 5.059 3.107 ( 2.095 3.398 -0.662) 4.046 3.160 ( -2.511 1.267 1.627) 3.249 3.262 ( 5.709 1.332 2.008) 6.197 3.401 ( -2.859 1.398 3.305) 4.588 3.483 ( -1.231 -6.665 0.108) 6.778 3.537 ( -1.061 -0.187 2.920) 3.113 3.617 ( 2.747 4.490 2.790) 5.957 3.726 ( 5.567 -0.774 -5.266) 7.702 3.854 ( 2.821 0.328 2.404) 3.721 3.891 ( -0.292 1.430 -2.647) 3.023 3.994 ( -4.308 -2.794 0.778) 5.193 4.020 ( 0.993 -3.768 4.092) 5.650 4.035 ( 6.215 -4.012 1.338) 7.517 4.101 ( -0.526 2.105 -0.125) 2.174 4.215 ( 5.809 -5.244 3.590) 8.610 4.351 ( -2.191 -10.419 -0.424) 10.655 4.482 ( 1.446 -0.269 -0.962) 1.758 4.576 ( -3.089 3.136 2.858) 5.249 4.616 ( 2.226 -5.405 1.157) 5.959 4.704 ( -4.811 1.117 -0.841) 5.010 4.795 ( -6.339 -2.288 1.061) 6.822 4.865 ( -5.147 0.761 -4.900) 7.147 4.932 ( -0.855 3.773 0.354) 3.885 4.974 ( -0.035 3.348 -3.638) 4.945 5.000 ( -4.053 4.650 5.066) 7.982 5.061 ( -4.106 2.418 -1.047) 4.878 5.128 ( -1.643 0.725 0.339) 1.828 5.220 ( 0.159 -1.313 -2.109) 2.490 5.309 ( -1.722 -2.932 0.133) 3.403 5.361 ( -4.677 -1.041 -0.249) 4.798 5.460 ( -2.408 4.167 1.971) 5.200 5.508 ( -1.304 1.240 1.003) 2.060 5.640 ( -5.129 2.295 -1.452) 5.804 5.704 ( 0.572 1.780 0.146) 1.876 5.727 ( -2.108 -0.021 -3.513) 4.097 5.791 ( 2.363 -1.596 -0.441) 2.885 5.904 ( -1.682 -0.082 -1.304) 2.130 5.924 ( -2.346 -0.728 -0.726) 2.561 5.974 ( -3.558 1.155 -4.036) 5.504 6.040 ( -4.039 0.002 -0.048) 4.039 6.112 ( -6.061 1.243 2.020) 6.509 6.244 ( -10.083 -1.551 0.937) 10.245 6.289 ( -9.483 1.093 -3.710) 10.242 6.302 ( -11.302 0.827 -1.055) 11.381 6.600 ( -1.851 1.322 1.694) 2.836 6.714 ( 0.747 -3.380 -2.473) 4.254 6.807 ( -7.044 -0.537 8.831) 11.309 6.916 ( -6.932 -2.933 3.750) 8.409 7.090 ( -4.894 -2.076 1.381) 5.493 7.227 ( -4.315 -2.209 3.240) 5.831 7.317 ( -4.703 4.031 3.481) 7.106 7.474 ( -8.856 -3.621 -0.321) 9.573 7.546 ( -8.323 1.570 2.209) 8.753 7.626 ( -8.711 2.872 2.858) 9.607 7.700 ( -7.613 -1.826 -2.747) 8.297 7.770 ( -14.200 -2.143 2.158) 14.522 7.951 ( -5.338 7.733 1.150) 9.467 8.129 ( -10.121 7.570 -5.880) 13.939 8.244 ( -6.084 -0.878 2.738) 6.729 8.293 ( -1.680 -2.554 3.056) 4.323 8.342 ( -3.084 4.455 -0.329) 5.428 8.475 ( -1.286 -1.388 -2.715) 3.309 8.663 ( -6.156 -7.835 -2.248) 10.214 8.754 ( -4.493 -6.244 -1.905) 7.926 8.842 ( -4.433 1.139 -2.226) 5.090 8.917 ( -4.528 -0.501 -7.525) 8.797 9.096 ( -2.680 2.043 -1.585) 3.725 9.161 ( -5.218 1.688 -3.257) 6.379 9.231 ( 2.408 -2.024 2.439) 3.981 9.274 ( -1.135 0.281 2.159) 2.455 9.430 ( 0.802 3.071 0.277) 3.186 9.494 ( 4.196 1.491 1.896) 4.840 9.670 ( 4.816 1.481 6.156) 7.955 9.698 ( 0.862 1.495 0.255) 1.744 9.763 ( -2.041 2.015 -0.067) 2.869 9.842 ( 3.584 -2.287 7.472) 8.597 9.979 ( 5.828 1.768 0.144) 6.092 10.092 ( 2.538 -0.477 3.020) 3.974 10.176 ( 2.506 -4.237 6.641) 8.266 10.230 ( 7.361 -6.972 2.680) 10.487 10.356 ( 5.491 0.761 -3.963) 6.815 10.410 ( 1.578 0.788 -4.939) 5.244 10.468 ( 2.497 2.597 -2.506) 4.389 10.529 ( 1.166 0.300 -7.392) 7.489 10.674 ( 3.350 -2.108 2.230) 4.543 10.722 ( 1.939 -2.399 0.686) 3.160 10.803 ( 3.091 0.139 -4.308) 5.304 10.898 ( 4.710 -1.062 -8.030) 9.370 11.276 ( 7.140 3.668 0.334) 8.034 11.425 ( 5.739 3.631 -1.270) 6.909 11.445 ( 2.761 -2.578 -4.411) 5.807 11.647 ( 1.209 -5.424 1.959) 5.893 12.079 ( 1.219 4.709 0.530) 4.893 12.276 ( -2.152 -2.008 4.114) 5.058 12.289 ( 5.250 -1.026 1.564) 5.573 12.356 ( 0.592 -2.765 0.457) 2.865 12.569 ( 2.835 12.210 3.744) 13.082 13.049 ( 4.388 -9.677 -2.155) 10.841 13.413 ( 8.018 4.234 0.658) 9.091 13.525 ( 9.160 -1.729 -3.129) 9.833 13.706 ( 2.046 0.852 1.695) 2.790 13.747 ( 3.466 -0.766 2.070) 4.109 13.828 ( 2.734 1.952 1.024) 3.511 13.852 ( 1.825 0.526 -0.697) 2.023 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -3.846 8.713 17.332) 19.777 1.268 ( -5.236 12.239 19.523) 23.630 1.587 ( -0.467 -12.709 -3.013) 13.070 1.748 ( 0.162 -5.325 6.548) 8.441 1.976 ( -9.913 6.191 5.628) 12.971 2.019 ( 6.924 2.290 -8.870) 11.484 2.193 ( 5.528 0.284 -5.712) 7.954 2.248 ( -1.045 -1.568 -8.495) 8.701 2.390 ( 2.002 -2.216 -5.735) 6.466 2.459 ( -5.059 -5.171 -3.890) 8.214 2.555 ( -11.443 2.594 5.272) 12.864 2.632 ( -0.508 3.826 -4.494) 5.924 2.738 ( 3.336 3.028 -5.230) 6.903 2.876 ( 2.942 5.344 2.015) 6.425 3.023 ( -0.793 -0.519 -9.232) 9.281 3.076 ( -5.463 -0.277 2.761) 6.128 3.158 ( 4.862 5.421 -1.610) 7.458 3.194 ( 9.558 -0.830 1.797) 9.761 3.305 ( 0.316 -1.922 1.196) 2.285 3.374 ( -0.704 0.928 -3.602) 3.785 3.452 ( -2.015 -7.678 6.171) 10.055 3.582 ( 4.653 -0.807 -1.872) 5.080 3.667 ( 2.695 0.209 -1.446) 3.066 3.776 ( -1.925 -3.101 -5.537) 6.632 3.825 ( -4.155 1.533 -1.576) 4.700 3.861 ( -1.605 1.279 -3.106) 3.723 3.957 ( 1.531 -2.609 3.858) 4.902 4.030 ( -4.296 -1.727 -0.455) 4.652 4.075 ( 1.284 0.890 3.647) 3.968 4.159 ( 3.046 -6.035 0.459) 6.776 4.233 ( -0.678 -5.189 0.467) 5.254 4.391 ( 3.969 -5.695 -0.425) 6.955 4.445 ( -4.250 0.799 -3.068) 5.302 4.546 ( -3.827 3.075 1.631) 5.173 4.612 ( -2.634 -1.309 -0.060) 2.942 4.653 ( -2.913 -1.174 1.069) 3.318 4.702 ( -1.829 -0.822 5.715) 6.056 4.739 ( -1.868 -0.841 2.477) 3.214 4.878 ( -5.168 6.153 1.365) 8.150 4.946 ( 0.535 1.795 -0.812) 2.041 4.975 ( -0.697 2.539 3.085) 4.056 5.007 ( 1.375 1.190 2.494) 3.087 5.134 ( -0.024 -1.383 -1.322) 1.913 5.243 ( 1.905 -1.060 -2.709) 3.478 5.287 ( -1.726 -0.544 -1.906) 2.628 5.314 ( 1.005 -1.480 0.367) 1.826 5.382 ( -3.414 3.886 -0.040) 5.172 5.429 ( -5.641 -0.638 0.756) 5.727 5.570 ( -1.132 5.500 0.762) 5.667 5.656 ( -3.933 2.169 -0.585) 4.529 5.728 ( 0.691 3.139 0.196) 3.221 5.810 ( -1.828 -1.342 -0.249) 2.282 5.862 ( -1.040 -0.641 -1.778) 2.157 5.883 ( -1.998 -0.364 0.950) 2.242 5.909 ( -3.023 0.410 0.164) 3.055 5.966 ( -0.719 -0.674 -1.829) 2.077 6.030 ( -5.088 0.478 -0.704) 5.159 6.065 ( -3.679 -1.623 -2.520) 4.746 6.101 ( -6.539 1.271 -3.825) 7.681 6.148 ( -4.741 1.205 -5.505) 7.365 6.580 ( -0.241 2.766 2.100) 3.481 6.710 ( -1.426 0.061 3.777) 4.038 6.773 ( 1.233 -7.761 4.649) 9.130 6.816 ( -0.770 -0.706 0.505) 1.160 7.021 ( -2.268 -3.084 1.297) 4.042 7.121 ( -5.987 -2.613 -0.842) 6.586 7.202 ( -7.156 2.126 2.758) 7.958 7.250 ( -10.386 -1.747 0.931) 10.573 7.428 ( -3.224 3.783 2.423) 5.529 7.479 ( -7.157 1.549 2.117) 7.622 7.511 ( -6.475 -1.852 0.346) 6.744 7.579 ( -6.094 -4.284 -4.422) 8.662 7.855 ( -4.857 9.790 1.683) 11.058 7.966 ( -4.723 7.623 -5.183) 10.357 8.133 ( -3.094 0.336 1.485) 3.448 8.264 ( -1.017 0.359 2.030) 2.299 8.297 ( -1.670 1.397 4.401) 4.910 8.462 ( -1.117 -4.626 -3.664) 6.006 8.552 ( -2.680 -5.101 3.234) 6.607 8.704 ( -4.915 2.168 2.165) 5.792 8.723 ( -1.875 -7.527 -4.121) 8.783 8.829 ( -4.780 -2.664 -2.750) 6.125 9.019 ( -4.064 2.956 -4.788) 6.941 9.074 ( -2.717 1.084 -7.195) 7.767 9.251 ( 0.369 0.324 2.266) 2.319 9.277 ( 0.471 0.529 -0.047) 0.710 9.451 ( 1.280 1.704 0.125) 2.135 9.544 ( 0.417 0.459 -0.263) 0.673 9.682 ( 0.357 1.145 5.107) 5.246 9.731 ( 0.736 2.312 3.134) 3.963 9.812 ( 4.434 2.425 2.264) 5.538 9.908 ( 2.050 -2.162 8.254) 8.775 10.078 ( 3.485 1.752 -0.944) 4.013 10.127 ( 0.792 -1.567 4.309) 4.653 10.206 ( 0.636 -5.209 6.391) 8.269 10.359 ( 4.664 -7.121 1.711) 8.683 10.405 ( -0.098 2.664 -5.143) 5.793 10.498 ( 5.742 0.274 -3.382) 6.670 10.502 ( 1.080 0.912 -5.585) 5.761 10.556 ( 0.589 -1.010 -1.706) 2.069 10.727 ( 2.113 -1.140 1.832) 3.020 10.749 ( 1.458 1.388 1.662) 2.610 10.907 ( 6.515 -2.807 -5.280) 8.843 10.972 ( 2.236 -4.506 -8.829) 10.161 11.401 ( 4.286 3.233 -1.597) 5.601 11.495 ( 2.356 -0.504 -2.910) 3.778 11.516 ( 3.529 2.614 -1.121) 4.533 11.642 ( -1.491 -3.063 1.265) 3.634 12.101 ( 1.353 4.409 1.322) 4.798 12.208 ( -3.892 2.176 3.461) 5.644 12.357 ( 2.093 -1.291 0.228) 2.470 12.390 ( 2.128 -2.315 -1.859) 3.653 12.682 ( 6.206 9.565 8.189) 14.038 13.118 ( 1.808 -8.713 -2.389) 9.214 13.538 ( 3.911 3.114 1.834) 5.325 13.654 ( 3.588 -2.459 -2.474) 5.004 13.751 ( 2.089 1.478 2.011) 3.254 13.816 ( 1.968 -1.186 3.076) 3.840 13.878 ( 1.620 2.901 -1.288) 3.563 13.932 ( 6.171 0.686 -1.762) 6.454 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.555 -17.070 8.027) 18.871 1.195 ( 0.555 17.070 8.027) 18.871 1.545 ( -1.408 -16.947 17.810) 24.624 1.545 ( -1.408 16.947 17.810) 24.624 2.049 ( -3.057 -13.921 -8.474) 16.582 2.049 ( -3.057 13.921 -8.474) 16.582 2.230 ( 5.035 -4.513 -7.004) 9.735 2.230 ( 5.035 4.513 -7.004) 9.735 2.397 ( 1.804 -7.661 -16.477) 18.260 2.397 ( 1.804 7.661 -16.477) 18.260 2.636 ( -1.815 -14.862 10.711) 18.409 2.636 ( -1.815 14.862 10.711) 18.409 2.823 ( -4.372 -8.856 1.938) 10.065 2.823 ( -4.372 8.856 1.938) 10.065 2.992 ( 3.100 -9.978 -0.641) 10.468 2.992 ( 3.100 9.978 -0.641) 10.468 3.226 ( 1.621 -8.017 2.001) 8.420 3.226 ( 1.621 8.017 2.001) 8.420 3.372 ( -2.954 -2.042 -1.797) 4.016 3.372 ( -2.954 2.042 -1.797) 4.016 3.503 ( 5.458 -8.711 -4.842) 11.363 3.503 ( 5.458 8.711 -4.842) 11.363 3.719 ( -2.070 -3.445 2.535) 4.752 3.719 ( -2.070 3.445 2.535) 4.752 3.826 ( -6.582 -5.401 -3.934) 9.380 3.826 ( -6.582 5.401 -3.934) 9.380 3.900 ( 2.566 -6.697 1.363) 7.301 3.900 ( 2.566 6.697 1.363) 7.301 4.101 ( 0.680 -2.589 -4.194) 4.976 4.101 ( 0.680 2.589 -4.194) 4.976 4.300 ( 0.985 -3.882 4.775) 6.232 4.300 ( 0.985 3.882 4.775) 6.232 4.497 ( 3.282 -0.878 -2.030) 3.958 4.497 ( 3.282 0.878 -2.030) 3.958 4.540 ( -5.662 -0.414 -0.347) 5.687 4.540 ( -5.662 0.414 -0.347) 5.687 4.697 ( 0.959 -2.296 4.452) 5.100 4.697 ( 0.959 2.296 4.452) 5.100 4.940 ( -0.357 -4.626 2.012) 5.057 4.940 ( -0.357 4.626 2.012) 5.057 5.018 ( 2.154 -1.868 2.955) 4.106 5.018 ( 2.154 1.868 2.955) 4.106 5.163 ( 0.239 -4.195 -2.777) 5.036 5.163 ( 0.239 4.195 -2.777) 5.036 5.270 ( -2.837 -0.670 3.539) 4.585 5.270 ( -2.837 0.670 3.539) 4.585 5.437 ( 4.120 -2.385 -2.746) 5.496 5.437 ( 4.120 2.385 -2.746) 5.496 5.640 ( 0.158 -0.201 0.326) 0.414 5.640 ( 0.158 0.201 0.326) 0.414 5.767 ( -2.149 -1.455 2.069) 3.319 5.767 ( -2.149 1.455 2.069) 3.319 5.851 ( -1.649 -1.636 -1.781) 2.927 5.851 ( -1.649 1.636 -1.781) 2.927 5.907 ( 1.701 -1.444 -0.465) 2.279 5.907 ( 1.701 1.444 -0.465) 2.279 5.985 ( -0.778 -2.211 -2.794) 3.647 5.985 ( -0.778 2.211 -2.794) 3.647 6.076 ( -0.631 -1.552 -6.008) 6.237 6.076 ( -0.631 1.552 -6.008) 6.237 6.664 ( 0.549 -2.998 5.350) 6.157 6.664 ( 0.549 2.998 5.350) 6.157 6.747 ( -0.557 -4.611 -2.223) 5.149 6.747 ( -0.557 4.611 -2.223) 5.149 7.009 ( 2.124 -2.723 -1.359) 3.711 7.009 ( 2.124 2.723 -1.359) 3.711 7.118 ( -0.190 -1.262 0.831) 1.523 7.118 ( -0.190 1.262 0.831) 1.523 7.402 ( -0.151 -2.906 -1.790) 3.416 7.402 ( -0.151 2.906 -1.790) 3.416 7.495 ( 2.188 -1.667 2.380) 3.637 7.495 ( 2.188 1.667 2.380) 3.637 7.944 ( -1.252 -4.918 3.184) 5.991 7.944 ( -1.252 4.918 3.184) 5.991 8.211 ( 1.961 -3.623 4.651) 6.214 8.211 ( 1.961 3.623 4.651) 6.214 8.328 ( -2.033 -5.019 -1.746) 5.689 8.328 ( -2.033 5.019 -1.746) 5.689 8.531 ( -0.933 -6.251 -4.063) 7.513 8.531 ( -0.933 6.251 -4.063) 7.513 8.696 ( -0.513 -2.024 4.052) 4.558 8.696 ( -0.513 2.024 4.052) 4.558 9.019 ( -1.431 -2.610 -7.339) 7.920 9.019 ( -1.431 2.610 -7.339) 7.920 9.296 ( 1.672 -0.713 1.058) 2.103 9.296 ( 1.672 0.713 1.058) 2.103 9.504 ( -0.573 -2.246 -1.240) 2.629 9.504 ( -0.573 2.246 -1.240) 2.629 9.759 ( 1.287 -4.264 6.644) 7.999 9.759 ( 1.287 4.264 6.644) 7.999 9.904 ( -0.034 -1.633 2.605) 3.074 9.904 ( -0.034 1.633 2.605) 3.074 10.115 ( 0.927 -2.235 1.687) 2.950 10.115 ( 0.927 2.235 1.687) 2.950 10.221 ( -0.998 -6.683 1.573) 6.938 10.221 ( -0.998 6.683 1.573) 6.938 10.472 ( -2.358 -3.270 2.194) 4.590 10.472 ( -2.358 3.270 2.194) 4.590 10.551 ( 1.256 -2.805 -4.643) 5.568 10.551 ( 1.256 2.805 -4.643) 5.568 10.788 ( -0.902 -5.439 -1.008) 5.605 10.788 ( -0.902 5.439 -1.008) 5.605 10.950 ( 4.057 -3.442 -6.428) 8.344 10.950 ( 4.057 3.442 -6.428) 8.344 11.470 ( -2.086 -1.916 -2.315) 3.658 11.470 ( -2.086 1.916 -2.315) 3.658 11.592 ( 0.439 -1.470 -1.180) 1.935 11.592 ( 0.439 1.470 -1.180) 1.935 12.213 ( 1.716 -0.647 1.439) 2.331 12.213 ( 1.716 0.647 1.439) 2.331 12.385 ( 1.094 -1.024 -1.737) 2.294 12.385 ( 1.094 1.024 -1.737) 2.294 12.936 ( -1.135 -8.701 5.677) 10.452 12.936 ( -1.135 8.701 5.677) 10.452 13.630 ( -0.142 -3.015 -0.920) 3.156 13.630 ( -0.142 3.015 -0.920) 3.156 13.812 ( 0.334 -1.197 2.337) 2.646 13.812 ( 0.334 1.197 2.337) 2.646 13.957 ( -1.930 -3.101 -1.822) 4.081 13.957 ( -1.930 3.101 -1.822) 4.081 ======================= Grid point 110 (62/84) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 5.808 -14.289 6.441) 16.715 1.285 ( 5.808 14.289 6.441) 16.715 1.508 ( -0.002 -13.821 16.100) 21.218 1.508 ( -0.002 13.821 16.100) 21.218 2.042 ( 1.288 -12.120 -8.681) 14.963 2.042 ( 1.288 12.120 -8.681) 14.963 2.336 ( 5.069 -6.497 -11.815) 14.404 2.336 ( 5.069 6.497 -11.815) 14.404 2.360 ( -5.480 -6.449 -11.050) 13.918 2.360 ( -5.480 6.449 -11.050) 13.918 2.596 ( -4.246 -5.397 2.597) 7.341 2.596 ( -4.246 5.397 2.597) 7.341 2.796 ( 4.510 -6.988 6.777) 10.729 2.796 ( 4.510 6.988 6.777) 10.729 3.079 ( 1.511 -4.775 1.208) 5.151 3.079 ( 1.511 4.775 1.208) 5.151 3.159 ( -1.956 -12.572 3.182) 13.115 3.159 ( -1.956 12.572 3.182) 13.115 3.382 ( 1.236 -8.297 -1.347) 8.496 3.382 ( 1.236 8.297 -1.347) 8.496 3.553 ( -7.485 -8.497 -0.536) 11.337 3.553 ( -7.485 8.497 -0.536) 11.337 3.657 ( 4.505 -3.232 -6.049) 8.205 3.657 ( 4.505 3.232 -6.049) 8.205 3.743 ( -0.459 -7.599 1.168) 7.702 3.743 ( -0.459 7.599 1.168) 7.702 3.976 ( 2.486 -2.792 0.451) 3.765 3.976 ( 2.486 2.792 0.451) 3.765 4.126 ( 1.617 -5.423 0.990) 5.745 4.126 ( 1.617 5.423 0.990) 5.745 4.295 ( -1.187 -3.253 2.739) 4.415 4.295 ( -1.187 3.253 2.739) 4.415 4.424 ( -3.408 -2.618 -0.680) 4.351 4.424 ( -3.408 2.618 -0.680) 4.351 4.626 ( 5.579 -3.031 0.327) 6.358 4.626 ( 5.579 3.031 0.327) 6.358 4.738 ( 3.041 -1.758 0.319) 3.527 4.738 ( 3.041 1.758 0.319) 3.527 4.930 ( -0.183 -2.502 2.535) 3.566 4.930 ( -0.183 2.502 2.535) 3.566 5.068 ( 0.960 -2.963 1.095) 3.301 5.068 ( 0.960 2.963 1.095) 3.301 5.156 ( -1.397 -1.697 3.050) 3.760 5.156 ( -1.397 1.697 3.050) 3.760 5.280 ( 5.109 -2.686 -2.512) 6.295 5.280 ( 5.109 2.686 -2.512) 6.295 5.482 ( -1.001 -1.481 -1.001) 2.049 5.482 ( -1.001 1.481 -1.001) 2.049 5.677 ( 3.245 -1.962 0.305) 3.804 5.677 ( 3.245 1.962 0.305) 3.804 5.735 ( -2.151 -1.500 -1.221) 2.892 5.735 ( -2.151 1.500 -1.221) 2.892 5.791 ( -0.685 -1.292 0.068) 1.464 5.791 ( -0.685 1.292 0.068) 1.464 5.968 ( 3.791 -3.955 -1.679) 5.730 5.968 ( 3.791 3.955 -1.679) 5.730 6.003 ( 2.370 -1.560 -0.999) 3.008 6.003 ( 2.370 1.560 -0.999) 3.008 6.155 ( 9.101 -1.876 -4.064) 10.142 6.155 ( 9.101 1.876 -4.064) 10.142 6.693 ( 2.105 -5.402 4.410) 7.284 6.693 ( 2.105 5.402 4.410) 7.284 6.744 ( 1.380 -2.943 -1.700) 3.668 6.744 ( 1.380 2.943 -1.700) 3.668 7.084 ( 4.413 -2.531 -1.707) 5.367 7.084 ( 4.413 2.531 -1.707) 5.367 7.224 ( 8.556 -1.202 0.781) 8.676 7.224 ( 8.556 1.202 0.781) 8.676 7.485 ( 8.116 -1.711 -1.394) 8.411 7.485 ( 8.116 1.711 -1.394) 8.411 7.604 ( 7.937 -1.958 1.878) 8.388 7.604 ( 7.937 1.958 1.878) 8.388 7.971 ( 3.839 -5.860 4.151) 8.143 7.971 ( 3.839 5.860 4.151) 8.143 8.220 ( -1.051 -2.299 2.348) 3.450 8.220 ( -1.051 2.299 2.348) 3.450 8.313 ( 0.831 -7.136 -2.466) 7.595 8.313 ( 0.831 7.136 -2.466) 7.595 8.546 ( 2.731 -4.480 -1.651) 5.501 8.546 ( 2.731 4.480 -1.651) 5.501 8.727 ( 2.675 -0.311 2.812) 3.893 8.727 ( 2.675 0.311 2.812) 3.893 9.015 ( 1.348 -3.283 -5.597) 6.627 9.015 ( 1.348 3.283 -5.597) 6.627 9.337 ( 2.173 -1.893 0.450) 2.917 9.337 ( 2.173 1.893 0.450) 2.917 9.486 ( -1.142 -1.526 -0.764) 2.053 9.486 ( -1.142 1.526 -0.764) 2.053 9.781 ( 0.720 -6.758 4.926) 8.394 9.781 ( 0.720 6.758 4.926) 8.394 9.870 ( -3.181 -0.981 3.024) 4.497 9.870 ( -3.181 0.981 3.024) 4.497 10.136 ( -0.366 -4.632 -0.430) 4.666 10.136 ( -0.366 4.632 -0.430) 4.666 10.164 ( -2.730 -4.161 2.434) 5.540 10.164 ( -2.730 4.161 2.434) 5.540 10.413 ( -3.287 -1.582 2.647) 4.507 10.413 ( -3.287 1.582 2.647) 4.507 10.549 ( -1.484 -5.228 -3.608) 6.523 10.549 ( -1.484 5.228 -3.608) 6.523 10.734 ( -4.126 -5.516 -3.001) 7.513 10.734 ( -4.126 5.516 -3.001) 7.513 11.005 ( 1.026 -4.372 -7.014) 8.329 11.005 ( 1.026 4.372 -7.014) 8.329 11.396 ( -4.824 -0.539 -0.634) 4.896 11.396 ( -4.824 0.539 -0.634) 4.896 11.589 ( -0.878 -4.290 -1.460) 4.616 11.589 ( -0.878 4.290 -1.460) 4.616 12.252 ( 1.569 -2.742 -0.325) 3.175 12.252 ( 1.569 2.742 -0.325) 3.175 12.397 ( 0.077 -1.871 -1.446) 2.366 12.397 ( 0.077 1.871 -1.446) 2.366 12.867 ( -5.107 -4.569 5.370) 8.706 12.867 ( -5.107 4.569 5.370) 8.706 13.582 ( -5.218 -4.181 -0.509) 6.706 13.582 ( -5.218 4.181 -0.509) 6.706 13.802 ( -1.718 -0.439 1.234) 2.160 13.802 ( -1.718 0.439 1.234) 2.160 13.859 ( -5.578 -2.421 1.403) 6.240 13.859 ( -5.578 2.421 1.403) 6.240 ======================= Grid point 112 (63/84) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.054 -14.331 4.153) 14.921 1.329 ( -0.054 14.331 4.153) 14.921 1.631 ( 7.196 -7.705 6.020) 12.141 1.631 ( 7.196 7.705 6.020) 12.141 2.055 ( -1.330 -8.562 -6.153) 10.627 2.055 ( -1.330 8.562 -6.153) 10.627 2.127 ( -9.187 -4.358 -4.006) 10.929 2.127 ( -9.187 4.358 -4.006) 10.929 2.451 ( 3.410 -5.749 -5.367) 8.573 2.451 ( 3.410 5.749 -5.367) 8.573 2.607 ( 5.799 -4.466 -5.916) 9.411 2.607 ( 5.799 4.466 -5.916) 9.411 2.830 ( -2.542 -5.997 -1.645) 6.718 2.830 ( -2.542 5.997 -1.645) 6.718 3.058 ( -4.162 -5.469 1.729) 7.087 3.058 ( -4.162 5.469 1.729) 7.087 3.212 ( 3.747 -0.385 -0.394) 3.787 3.212 ( 3.747 0.385 -0.394) 3.787 3.329 ( -2.128 -8.620 5.876) 10.647 3.329 ( -2.128 8.620 5.876) 10.647 3.482 ( 0.897 -3.345 0.241) 3.471 3.482 ( 0.897 3.345 0.241) 3.471 3.737 ( -1.091 -6.271 2.106) 6.704 3.737 ( -1.091 6.271 2.106) 6.704 3.776 ( 4.314 -5.026 1.600) 6.814 3.776 ( 4.314 5.026 1.600) 6.814 3.955 ( -3.267 -3.887 -1.741) 5.368 3.955 ( -3.267 3.887 -1.741) 5.368 4.149 ( 0.504 -1.877 0.407) 1.985 4.149 ( 0.504 1.877 0.407) 1.985 4.285 ( -0.816 -2.391 3.681) 4.465 4.285 ( -0.816 2.391 3.681) 4.465 4.399 ( 1.927 -5.074 -2.212) 5.861 4.399 ( 1.927 5.074 -2.212) 5.861 4.687 ( 0.404 -4.540 0.821) 4.631 4.687 ( 0.404 4.540 0.821) 4.631 4.795 ( 0.201 -0.730 0.890) 1.168 4.795 ( 0.201 0.730 0.890) 1.168 4.928 ( 1.695 -1.682 1.819) 3.002 4.928 ( 1.695 1.682 1.819) 3.002 5.063 ( -0.440 -4.276 -1.130) 4.445 5.063 ( -0.440 4.276 -1.130) 4.445 5.166 ( 2.715 -1.765 -0.295) 3.252 5.166 ( 2.715 1.765 -0.295) 3.252 5.402 ( 0.917 -2.604 0.647) 2.835 5.402 ( 0.917 2.604 0.647) 2.835 5.448 ( 3.681 -4.237 1.463) 5.800 5.448 ( 3.681 4.237 1.463) 5.800 5.689 ( -0.132 -1.717 -2.234) 2.821 5.689 ( -0.132 1.717 -2.234) 2.821 5.744 ( 2.599 -1.243 -2.824) 4.035 5.744 ( 2.599 1.243 -2.824) 4.035 5.854 ( 3.493 -4.688 -0.791) 5.899 5.854 ( 3.493 4.688 -0.791) 5.899 6.054 ( 5.209 -1.356 1.112) 5.496 6.054 ( 5.209 1.356 1.112) 5.496 6.086 ( 5.277 -3.244 -0.385) 6.207 6.086 ( 5.277 3.244 -0.385) 6.207 6.385 ( 11.874 -3.289 -2.705) 12.614 6.385 ( 11.874 3.289 -2.705) 12.614 6.719 ( 0.767 -6.820 -0.724) 6.901 6.719 ( 0.767 6.820 -0.724) 6.901 6.849 ( 8.631 -2.946 2.263) 9.397 6.849 ( 8.631 2.946 2.263) 9.397 7.174 ( 4.595 -3.257 -1.369) 5.796 7.174 ( 4.595 3.257 -1.369) 5.796 7.418 ( 9.940 -0.624 2.276) 10.216 7.418 ( 9.940 0.624 2.276) 10.216 7.660 ( 7.236 -3.484 0.424) 8.043 7.660 ( 7.236 3.484 0.424) 8.043 7.787 ( 9.157 -2.354 1.901) 9.644 7.787 ( 9.157 2.354 1.901) 9.644 8.090 ( 6.583 -3.599 5.692) 9.418 8.090 ( 6.583 3.599 5.692) 9.418 8.224 ( 2.697 -2.861 -1.074) 4.076 8.224 ( 2.697 2.861 -1.074) 4.076 8.356 ( 3.862 -7.958 -2.480) 9.187 8.356 ( 3.862 7.958 -2.480) 9.187 8.620 ( 4.102 -4.100 -0.969) 5.880 8.620 ( 4.102 4.100 -0.969) 5.880 8.784 ( 2.803 -1.937 -1.468) 3.710 8.784 ( 2.803 1.937 -1.468) 3.710 9.072 ( 3.708 -1.859 -1.678) 4.475 9.072 ( 3.708 1.859 -1.678) 4.475 9.362 ( -0.731 -3.934 0.915) 4.105 9.362 ( -0.731 3.934 0.915) 4.105 9.471 ( 0.300 -1.962 -0.499) 2.046 9.471 ( 0.300 1.962 -0.499) 2.046 9.768 ( -4.480 -0.531 1.620) 4.793 9.768 ( -4.480 0.531 1.620) 4.793 9.805 ( -0.827 -6.725 4.231) 7.988 9.805 ( -0.827 6.725 4.231) 7.988 10.045 ( -4.849 -4.496 0.834) 6.665 10.045 ( -4.849 4.496 0.834) 6.665 10.193 ( 2.595 -0.579 0.234) 2.669 10.193 ( 2.595 0.579 0.234) 2.669 10.343 ( -3.522 -1.430 2.360) 4.474 10.343 ( -3.522 1.430 2.360) 4.474 10.497 ( -3.077 -6.792 -3.797) 8.367 10.497 ( -3.077 6.792 -3.797) 8.367 10.622 ( -6.731 -4.438 -3.493) 8.787 10.622 ( -6.731 4.438 -3.493) 8.787 10.988 ( -2.306 -4.074 -7.091) 8.497 10.988 ( -2.306 4.074 -7.091) 8.497 11.289 ( -5.314 -1.402 0.333) 5.506 11.289 ( -5.314 1.402 0.333) 5.506 11.546 ( -3.577 -7.450 -1.676) 8.433 11.546 ( -3.577 7.450 -1.676) 8.433 12.260 ( -0.744 -3.650 -1.121) 3.890 12.260 ( -0.744 3.650 -1.121) 3.890 12.373 ( -3.107 -3.666 0.945) 4.898 12.373 ( -3.107 3.666 0.945) 4.898 12.785 ( -1.662 -2.016 2.395) 3.544 12.785 ( -1.662 2.016 2.395) 3.544 13.406 ( -11.090 -5.698 1.145) 12.521 13.406 ( -11.090 5.698 1.145) 12.521 13.733 ( -3.278 -0.487 1.014) 3.466 13.733 ( -3.278 0.487 1.014) 3.466 13.808 ( -1.034 -1.454 1.948) 2.642 13.808 ( -1.034 1.454 1.948) 2.642 ======================= Grid point 114 (64/84) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.480 -6.763 -4.534) 8.511 1.352 ( 2.480 6.763 -4.534) 8.511 1.518 ( -14.842 -5.755 -2.813) 16.166 1.518 ( -14.842 5.755 -2.813) 16.166 2.102 ( 6.618 -8.255 -0.611) 10.598 2.102 ( 6.618 8.255 -0.611) 10.598 2.146 ( 6.836 -6.864 0.850) 9.725 2.146 ( 6.836 6.864 0.850) 9.725 2.495 ( 2.185 -8.882 -2.723) 9.544 2.495 ( 2.185 8.882 -2.723) 9.544 2.675 ( -3.508 -3.888 -1.757) 5.523 2.675 ( -3.508 3.888 -1.757) 5.523 2.788 ( -0.404 -4.587 -4.940) 6.754 2.788 ( -0.404 4.587 -4.940) 6.754 2.973 ( 1.044 -4.437 -1.048) 4.677 2.973 ( 1.044 4.437 -1.048) 4.677 3.167 ( -3.855 -1.913 -2.320) 4.889 3.167 ( -3.855 1.913 -2.320) 4.889 3.379 ( -4.555 -8.392 4.672) 10.630 3.379 ( -4.555 8.392 4.672) 10.630 3.504 ( 5.364 -2.691 2.626) 6.550 3.504 ( 5.364 2.691 2.626) 6.550 3.688 ( -5.372 -5.084 5.157) 9.016 3.688 ( -5.372 5.084 5.157) 9.016 3.776 ( -3.575 -10.732 1.407) 11.399 3.776 ( -3.575 10.732 1.407) 11.399 3.912 ( 0.303 -3.971 -1.503) 4.256 3.912 ( 0.303 3.971 -1.503) 4.256 4.179 ( 2.188 -2.306 -6.976) 7.666 4.179 ( 2.188 2.306 -6.976) 7.666 4.308 ( 5.033 -2.852 7.984) 9.860 4.308 ( 5.033 2.852 7.984) 9.860 4.458 ( 1.507 -8.112 -0.010) 8.251 4.458 ( 1.507 8.112 -0.010) 8.251 4.620 ( -4.502 -4.282 3.283) 7.027 4.620 ( -4.502 4.282 3.283) 7.027 4.793 ( 0.651 -4.868 3.732) 6.168 4.793 ( 0.651 4.868 3.732) 6.168 5.012 ( 4.234 -1.449 -2.970) 5.371 5.012 ( 4.234 1.449 -2.970) 5.371 5.068 ( 0.935 -2.196 -2.135) 3.202 5.068 ( 0.935 2.196 -2.135) 3.202 5.226 ( 2.784 -0.959 -1.372) 3.249 5.226 ( 2.784 0.959 -1.372) 3.249 5.378 ( -0.775 -4.061 2.493) 4.828 5.378 ( -0.775 4.061 2.493) 4.828 5.548 ( 2.640 -2.048 2.830) 4.379 5.548 ( 2.640 2.048 2.830) 4.379 5.716 ( 2.386 -1.817 -3.951) 4.961 5.716 ( 2.386 1.817 -3.951) 4.961 5.788 ( 1.766 -2.345 -2.454) 3.827 5.788 ( 1.766 2.345 -2.454) 3.827 5.897 ( 1.159 -3.850 -2.256) 4.610 5.897 ( 1.159 3.850 -2.256) 4.610 6.148 ( 3.424 -2.875 -0.862) 4.553 6.148 ( 3.424 2.875 -0.862) 4.553 6.206 ( 5.787 -2.876 4.513) 7.883 6.206 ( 5.787 2.876 4.513) 7.883 6.591 ( 7.936 -2.723 -2.145) 8.660 6.591 ( 7.936 2.723 -2.145) 8.660 6.735 ( 0.840 -5.939 -2.221) 6.396 6.735 ( 0.840 5.939 -2.221) 6.396 7.045 ( 8.513 -3.389 2.236) 9.432 7.045 ( 8.513 3.389 2.236) 9.432 7.286 ( 6.810 -2.257 -0.111) 7.175 7.286 ( 6.810 2.257 -0.111) 7.175 7.594 ( 5.861 -1.992 3.933) 7.334 7.594 ( 5.861 1.992 3.933) 7.334 7.769 ( 4.423 -2.112 -1.896) 5.255 7.769 ( 4.423 2.112 -1.896) 5.255 7.955 ( 7.527 -1.548 4.554) 8.933 7.955 ( 7.527 1.548 4.554) 8.933 8.190 ( 3.244 -0.508 4.769) 5.790 8.190 ( 3.244 0.508 4.769) 5.790 8.333 ( 6.746 -2.475 0.621) 7.212 8.333 ( 6.746 2.475 0.621) 7.212 8.481 ( 7.403 -2.883 -3.505) 8.683 8.481 ( 7.403 2.883 -3.505) 8.683 8.703 ( 3.805 -4.761 -0.320) 6.103 8.703 ( 3.805 4.761 -0.320) 6.103 8.859 ( 5.260 -5.803 -4.274) 8.922 8.859 ( 5.260 5.803 -4.274) 8.922 9.114 ( -0.280 -0.882 0.731) 1.179 9.114 ( -0.280 0.882 0.731) 1.179 9.310 ( -3.576 -2.190 1.939) 4.620 9.310 ( -3.576 2.190 1.939) 4.620 9.486 ( 0.197 -1.257 -0.001) 1.273 9.486 ( 0.197 1.257 -0.001) 1.273 9.646 ( -6.783 -2.447 1.383) 7.343 9.646 ( -6.783 2.447 1.383) 7.343 9.797 ( -0.364 -7.410 0.782) 7.460 9.797 ( -0.364 7.410 0.782) 7.460 9.987 ( -0.787 -1.565 1.677) 2.425 9.987 ( -0.787 1.565 1.677) 2.425 10.234 ( -0.123 -0.712 2.255) 2.368 10.234 ( -0.123 0.712 2.255) 2.368 10.290 ( -0.608 -2.333 -1.868) 3.050 10.290 ( -0.608 2.333 -1.868) 3.050 10.442 ( -2.720 -7.679 -5.267) 9.701 10.442 ( -2.720 7.679 -5.267) 9.701 10.480 ( -5.062 -4.422 -1.489) 6.884 10.480 ( -5.062 4.422 -1.489) 6.884 10.920 ( -3.845 -5.114 -6.647) 9.226 10.920 ( -3.845 5.114 -6.647) 9.226 11.195 ( -3.695 -3.579 1.057) 5.252 11.195 ( -3.695 3.579 1.057) 5.252 11.439 ( -6.621 -10.426 -1.888) 12.494 11.439 ( -6.621 10.426 -1.888) 12.494 12.227 ( -2.589 -5.580 0.186) 6.154 12.227 ( -2.589 5.580 0.186) 6.154 12.286 ( -3.889 -5.199 1.629) 6.694 12.286 ( -3.889 5.199 1.629) 6.694 12.811 ( 3.266 -0.890 0.278) 3.396 12.811 ( 3.266 0.890 0.278) 3.396 13.185 ( -9.742 -5.905 1.116) 11.446 13.185 ( -9.742 5.905 1.116) 11.446 13.685 ( -1.620 -0.193 1.067) 1.950 13.685 ( -1.620 0.193 1.067) 1.950 13.791 ( -0.686 -1.312 1.222) 1.920 13.791 ( -0.686 1.312 1.222) 1.920 ======================= Grid point 116 (65/84) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -8.381 -5.433 -2.362) 10.264 1.241 ( -8.381 5.433 -2.362) 10.264 1.432 ( 3.459 -4.937 -12.886) 14.226 1.432 ( 3.459 4.937 -12.886) 14.226 2.172 ( 1.194 -4.088 -1.134) 4.407 2.172 ( 1.194 4.088 -1.134) 4.407 2.310 ( 5.842 -2.812 2.529) 6.959 2.310 ( 5.842 2.812 2.529) 6.959 2.489 ( -1.221 -2.207 -3.266) 4.126 2.489 ( -1.221 2.207 -3.266) 4.126 2.606 ( -3.700 -6.137 0.318) 7.173 2.606 ( -3.700 6.137 0.318) 7.173 2.840 ( 8.499 -8.110 -1.230) 11.812 2.840 ( 8.499 8.110 -1.230) 11.812 2.981 ( -3.091 -4.039 1.003) 5.184 2.981 ( -3.091 4.039 1.003) 5.184 3.152 ( 0.128 -2.844 -0.949) 3.001 3.152 ( 0.128 2.844 -0.949) 3.001 3.268 ( -3.291 -1.708 1.942) 4.186 3.268 ( -3.291 1.708 1.942) 4.186 3.485 ( -3.947 -2.269 1.939) 4.949 3.485 ( -3.947 2.269 1.939) 4.949 3.597 ( -6.603 -9.323 1.117) 11.479 3.597 ( -6.603 9.323 1.117) 11.479 3.728 ( 2.540 -2.402 2.541) 4.322 3.728 ( 2.540 2.402 2.541) 4.322 3.957 ( 2.687 -6.491 -4.660) 8.430 3.957 ( 2.687 6.491 -4.660) 8.430 4.167 ( -4.929 -4.728 -2.739) 7.359 4.167 ( -4.929 4.728 -2.739) 7.359 4.375 ( -0.938 -0.659 2.680) 2.915 4.375 ( -0.938 0.659 2.680) 2.915 4.508 ( 5.909 -1.495 10.470) 12.115 4.508 ( 5.909 1.495 10.470) 12.115 4.638 ( 5.783 -3.683 -1.779) 7.083 4.638 ( 5.783 3.683 -1.779) 7.083 4.799 ( -0.188 -4.539 4.730) 6.559 4.799 ( -0.188 4.539 4.730) 6.559 5.055 ( -1.425 -2.292 -1.272) 2.984 5.055 ( -1.425 2.292 -1.272) 2.984 5.070 ( 0.650 -4.093 -3.965) 5.736 5.070 ( 0.650 4.093 -3.965) 5.736 5.277 ( 0.947 -1.382 -1.157) 2.036 5.277 ( 0.947 1.382 -1.157) 2.036 5.377 ( 1.469 -2.972 0.527) 3.357 5.377 ( 1.469 2.972 0.527) 3.357 5.562 ( -0.665 -1.431 3.690) 4.013 5.562 ( -0.665 1.431 3.690) 4.013 5.744 ( -0.073 -2.132 -5.731) 6.115 5.744 ( -0.073 2.132 -5.731) 6.115 5.817 ( 0.876 -2.348 -0.002) 2.506 5.817 ( 0.876 2.348 -0.002) 2.506 5.915 ( 0.881 -1.773 -2.696) 3.345 5.915 ( 0.881 1.773 -2.696) 3.345 6.192 ( 0.816 -1.405 -1.386) 2.136 6.192 ( 0.816 1.405 -1.386) 2.136 6.298 ( 3.101 -4.623 6.248) 8.368 6.298 ( 3.101 4.623 6.248) 8.368 6.694 ( 2.167 -1.114 -1.860) 3.065 6.694 ( 2.167 1.114 -1.860) 3.065 6.745 ( -0.088 -4.262 -2.855) 5.131 6.745 ( -0.088 4.262 -2.855) 5.131 7.143 ( 1.371 -3.178 3.309) 4.788 7.143 ( 1.371 3.178 3.309) 4.788 7.420 ( 4.383 -0.922 0.566) 4.514 7.420 ( 4.383 0.922 0.566) 4.514 7.624 ( -2.019 -6.177 3.552) 7.405 7.624 ( -2.019 6.177 3.552) 7.405 7.865 ( 4.188 -5.251 -4.836) 8.277 7.865 ( 4.188 5.251 -4.836) 8.277 8.085 ( 3.951 -4.369 9.011) 10.765 8.085 ( 3.951 4.369 9.011) 10.765 8.244 ( 2.390 -1.594 2.979) 4.139 8.244 ( 2.390 1.594 2.979) 4.139 8.468 ( 5.468 -0.703 -1.133) 5.629 8.468 ( 5.468 0.703 -1.133) 5.629 8.602 ( 4.713 -2.579 -2.418) 5.892 8.602 ( 4.713 2.579 -2.418) 5.892 8.722 ( -3.237 -5.542 -1.739) 6.649 8.722 ( -3.237 5.542 -1.739) 6.649 8.983 ( 5.757 -3.523 -0.777) 6.794 8.983 ( 5.757 3.523 -0.777) 6.794 9.125 ( 3.081 -3.864 1.482) 5.160 9.125 ( 3.081 3.864 1.482) 5.160 9.232 ( -2.758 -3.313 2.786) 5.133 9.232 ( -2.758 3.313 2.786) 5.133 9.459 ( -4.913 -3.513 -2.811) 6.662 9.459 ( -4.913 3.513 -2.811) 6.662 9.505 ( -4.400 -2.345 1.136) 5.114 9.505 ( -4.400 2.345 1.136) 5.114 9.811 ( 1.792 -6.603 1.429) 6.990 9.811 ( 1.792 6.603 1.429) 6.990 9.977 ( -1.166 -3.583 1.984) 4.259 9.977 ( -1.166 3.583 1.984) 4.259 10.176 ( -5.181 -2.771 -1.090) 5.975 10.176 ( -5.181 2.771 -1.090) 5.975 10.288 ( 0.213 -2.064 -4.501) 4.957 10.288 ( 0.213 2.064 -4.501) 4.957 10.392 ( 0.619 -4.133 2.961) 5.122 10.392 ( 0.619 4.133 2.961) 5.122 10.492 ( 3.450 -1.900 -6.198) 7.344 10.492 ( 3.450 1.900 -6.198) 7.344 10.841 ( -3.395 -5.482 -5.592) 8.535 10.841 ( -3.395 5.482 -5.592) 8.535 11.141 ( -1.810 -6.235 2.579) 6.986 11.141 ( -1.810 6.235 2.579) 6.986 11.316 ( -3.767 -9.724 -2.750) 10.785 11.316 ( -3.767 9.724 -2.750) 10.785 12.166 ( -2.430 -9.919 3.308) 10.735 12.166 ( -2.430 9.919 3.308) 10.735 12.247 ( -0.504 -8.344 -1.229) 8.449 12.247 ( -0.504 8.344 -1.229) 8.449 12.857 ( -0.610 -2.392 3.247) 4.079 12.857 ( -0.610 2.392 3.247) 4.079 13.061 ( -0.733 -5.062 -2.899) 5.879 13.061 ( -0.733 5.062 -2.899) 5.879 13.665 ( -0.441 -0.507 1.012) 1.215 13.665 ( -0.441 0.507 1.012) 1.215 13.782 ( -0.174 -1.270 0.838) 1.531 13.782 ( -0.174 1.270 0.838) 1.531 ======================= Grid point 118 (66/84) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 5.269 -3.529 -3.005) 7.017 1.213 ( 5.269 3.529 -3.005) 7.017 1.472 ( 1.208 -5.012 -12.803) 13.802 1.472 ( 1.208 5.012 -12.803) 13.802 2.102 ( -7.606 -2.470 2.011) 8.246 2.102 ( -7.606 2.470 2.011) 8.246 2.409 ( -1.520 -3.449 -1.428) 4.031 2.409 ( -1.520 3.449 -1.428) 4.031 2.488 ( 3.952 -0.799 -2.133) 4.561 2.488 ( 3.952 0.799 -2.133) 4.561 2.590 ( 6.255 -3.201 0.522) 7.046 2.590 ( 6.255 3.201 0.522) 7.046 2.866 ( -5.913 -5.219 -3.102) 8.475 2.866 ( -5.913 5.219 -3.102) 8.475 3.028 ( -7.729 -7.558 2.542) 11.105 3.028 ( -7.729 7.558 2.542) 11.105 3.086 ( 7.223 -4.799 -2.087) 8.919 3.086 ( 7.223 4.799 -2.087) 8.919 3.263 ( 2.149 -5.278 2.421) 6.192 3.263 ( 2.149 5.278 2.421) 6.192 3.476 ( 2.577 -5.600 0.676) 6.201 3.476 ( 2.577 5.600 0.676) 6.201 3.553 ( 3.318 -3.647 3.443) 6.014 3.553 ( 3.318 3.647 3.443) 6.014 3.768 ( 0.358 -1.470 2.087) 2.578 3.768 ( 0.358 1.470 2.087) 2.578 3.969 ( -3.509 -3.402 -2.444) 5.464 3.969 ( -3.509 3.402 -2.444) 5.464 4.046 ( -1.943 -0.863 -1.278) 2.481 4.046 ( -1.943 0.863 -1.278) 2.481 4.335 ( -4.537 -3.547 5.411) 7.902 4.335 ( -4.537 3.547 5.411) 7.902 4.606 ( 3.147 -1.444 4.710) 5.846 4.606 ( 3.147 1.444 4.710) 5.846 4.715 ( -1.230 -1.643 0.739) 2.181 4.715 ( -1.230 1.643 0.739) 2.181 4.837 ( 4.635 -0.687 -1.342) 4.874 4.837 ( 4.635 0.687 -1.342) 4.874 5.001 ( -1.996 -4.379 0.715) 4.866 5.001 ( -1.996 4.379 0.715) 4.866 5.103 ( 2.310 -3.958 -3.019) 5.488 5.103 ( 2.310 3.958 -3.019) 5.488 5.240 ( -3.409 -2.286 -2.648) 4.884 5.240 ( -3.409 2.286 -2.648) 4.884 5.429 ( 1.992 -0.972 1.254) 2.547 5.429 ( 1.992 0.972 1.254) 2.547 5.532 ( -2.227 -0.924 1.837) 3.031 5.532 ( -2.227 0.924 1.837) 3.031 5.728 ( -0.756 -3.251 -3.238) 4.650 5.728 ( -0.756 3.251 -3.238) 4.650 5.808 ( -1.863 -2.878 0.269) 3.439 5.808 ( -1.863 2.878 0.269) 3.439 5.933 ( 0.804 -1.258 -3.047) 3.393 5.933 ( 0.804 1.258 -3.047) 3.393 6.176 ( -2.332 -0.353 -0.978) 2.553 6.176 ( -2.332 0.353 -0.978) 2.553 6.338 ( 0.606 -4.688 5.915) 7.571 6.338 ( 0.606 4.688 5.915) 7.571 6.669 ( -4.754 -0.396 -3.458) 5.892 6.669 ( -4.754 0.396 -3.458) 5.892 6.727 ( -1.481 -3.586 -1.245) 4.075 6.727 ( -1.481 3.586 -1.245) 4.075 7.123 ( -3.343 -2.667 4.877) 6.486 7.123 ( -3.343 2.667 4.877) 6.486 7.404 ( -5.886 -0.910 0.946) 6.031 7.404 ( -5.886 0.910 0.946) 6.031 7.571 ( -2.586 -6.843 3.839) 8.261 7.571 ( -2.586 6.843 3.839) 8.261 7.885 ( -2.724 -4.433 -5.593) 7.638 7.885 ( -2.724 4.433 -5.593) 7.638 8.110 ( -1.475 -5.679 8.465) 10.300 8.110 ( -1.475 5.679 8.465) 10.300 8.262 ( -1.970 -1.551 3.769) 4.527 8.262 ( -1.970 1.551 3.769) 4.527 8.440 ( -7.154 -0.828 -0.551) 7.223 8.440 ( -7.154 0.828 -0.551) 7.223 8.632 ( -2.277 -2.132 -3.535) 4.714 8.632 ( -2.277 2.132 -3.535) 4.714 8.739 ( 5.787 -2.813 -3.687) 7.415 8.739 ( 5.787 2.813 -3.687) 7.415 9.008 ( -3.241 -5.064 -0.007) 6.012 9.008 ( -3.241 5.064 -0.007) 6.012 9.195 ( -2.441 -2.492 3.275) 4.785 9.195 ( -2.441 2.492 3.275) 4.785 9.235 ( 5.132 -2.178 0.070) 5.576 9.235 ( 5.132 2.178 0.070) 5.576 9.361 ( -0.641 -2.819 -1.025) 3.067 9.361 ( -0.641 2.819 -1.025) 3.067 9.500 ( 3.387 -5.137 -0.211) 6.157 9.500 ( 3.387 5.137 -0.211) 6.157 9.862 ( 2.621 -5.146 4.252) 7.172 9.862 ( 2.621 5.146 4.252) 7.172 9.947 ( -1.134 -4.081 2.931) 5.151 9.947 ( -1.134 4.081 2.931) 5.151 10.052 ( -5.598 -2.498 -2.099) 6.479 10.052 ( -5.598 2.498 -2.099) 6.479 10.315 ( 1.740 -4.828 -6.107) 7.977 10.315 ( 1.740 4.828 -6.107) 7.977 10.433 ( 2.579 -3.022 2.943) 4.945 10.433 ( 2.579 3.022 2.943) 4.945 10.555 ( 2.480 -2.096 -6.748) 7.489 10.555 ( 2.480 2.096 -6.748) 7.489 10.795 ( -0.885 -3.646 -5.183) 6.399 10.795 ( -0.885 3.646 -5.183) 6.399 11.135 ( 2.092 -7.575 3.651) 8.665 11.135 ( 2.092 7.575 3.651) 8.665 11.322 ( 3.815 -7.226 -3.057) 8.724 11.322 ( 3.815 7.226 -3.057) 8.724 12.147 ( 0.401 -7.831 3.721) 8.679 12.147 ( 0.401 7.831 3.721) 8.679 12.249 ( 0.539 -7.942 -1.244) 8.057 12.249 ( 0.539 7.942 -1.244) 8.057 12.803 ( -2.905 -4.765 3.462) 6.567 12.803 ( -2.905 4.765 3.462) 6.567 13.139 ( 6.757 -2.321 -3.813) 8.098 13.139 ( 6.757 2.321 -3.813) 8.098 13.667 ( 0.516 -0.701 0.992) 1.320 13.667 ( 0.516 0.701 0.992) 1.320 13.787 ( 0.690 -1.160 0.651) 1.498 13.787 ( 0.690 1.160 0.651) 1.498 ======================= Grid point 120 (67/84) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 3.385 -4.904 -4.897) 7.713 1.337 ( 3.385 4.904 -4.897) 7.713 1.562 ( 9.550 -1.785 -2.364) 9.999 1.562 ( 9.550 1.785 -2.364) 9.999 1.913 ( -9.625 -4.439 3.086) 11.040 1.913 ( -9.625 4.439 3.086) 11.040 2.307 ( -5.073 -4.094 -5.197) 8.337 2.307 ( -5.073 4.094 -5.197) 8.337 2.566 ( -0.342 -0.693 -0.735) 1.066 2.566 ( -0.342 0.693 -0.735) 1.066 2.743 ( 3.076 -8.258 -4.298) 9.805 2.743 ( 3.076 8.258 -4.298) 9.805 2.790 ( -1.091 -8.734 -4.762) 10.008 2.790 ( -1.091 8.734 -4.762) 10.008 2.919 ( 1.427 -7.523 -0.102) 7.657 2.919 ( 1.427 7.523 -0.102) 7.657 3.084 ( 0.036 -2.936 -0.355) 2.958 3.084 ( 0.036 2.936 -0.355) 2.958 3.398 ( 1.990 -7.736 0.728) 8.021 3.398 ( 1.990 7.736 0.728) 8.021 3.548 ( 4.170 -3.931 1.794) 6.005 3.548 ( 4.170 3.931 1.794) 6.005 3.609 ( -0.464 -6.626 9.094) 11.261 3.609 ( -0.464 6.626 9.094) 11.261 3.777 ( 3.576 -1.645 1.689) 4.283 3.777 ( 3.576 1.645 1.689) 4.283 3.943 ( 3.084 -3.594 1.028) 4.846 3.943 ( 3.084 3.594 1.028) 4.846 4.060 ( 1.486 -2.687 -5.405) 6.216 4.060 ( 1.486 2.687 -5.405) 6.216 4.198 ( -7.327 -6.431 8.467) 12.912 4.198 ( -7.327 6.431 8.467) 12.912 4.567 ( -4.977 -2.435 1.372) 5.708 4.567 ( -4.977 2.435 1.372) 5.708 4.718 ( 0.113 -4.197 -0.040) 4.199 4.718 ( 0.113 4.197 -0.040) 4.199 4.874 ( -0.980 -3.873 -4.206) 5.801 4.874 ( -0.980 3.873 -4.206) 5.801 4.992 ( 0.287 -3.240 1.690) 3.665 4.992 ( 0.287 3.240 1.690) 3.665 5.148 ( 0.818 -5.648 -3.281) 6.583 5.148 ( 0.818 5.648 -3.281) 6.583 5.169 ( -2.497 -3.137 -2.682) 4.824 5.169 ( -2.497 3.137 -2.682) 4.824 5.412 ( -4.414 -3.341 3.342) 6.467 5.412 ( -4.414 3.341 3.342) 6.467 5.510 ( 1.206 -0.942 -0.986) 1.820 5.510 ( 1.206 0.942 -0.986) 1.820 5.724 ( 0.208 -2.721 -0.849) 2.858 5.724 ( 0.208 2.721 -0.849) 2.858 5.751 ( -3.216 -2.094 -0.479) 3.867 5.751 ( -3.216 2.094 -0.479) 3.867 5.939 ( -0.322 -1.390 -3.112) 3.423 5.939 ( -0.322 1.390 -3.112) 3.423 6.105 ( -4.369 -1.511 -0.469) 4.646 6.105 ( -4.369 1.511 -0.469) 4.646 6.313 ( -3.685 -4.527 5.094) 7.748 6.313 ( -3.685 4.527 5.094) 7.748 6.513 ( -9.920 -0.506 -3.515) 10.537 6.513 ( -9.920 0.506 -3.515) 10.537 6.684 ( -2.490 -2.559 -1.257) 3.786 6.684 ( -2.490 2.559 -1.257) 3.786 7.005 ( -8.203 -2.714 6.196) 10.632 7.005 ( -8.203 2.714 6.196) 10.632 7.253 ( -7.292 -3.333 0.459) 8.030 7.253 ( -7.292 3.333 0.459) 8.030 7.507 ( -4.090 -5.622 4.656) 8.368 7.507 ( -4.090 5.622 4.656) 8.368 7.772 ( -7.328 -1.962 -3.340) 8.288 7.772 ( -7.328 1.962 -3.340) 8.288 7.975 ( -11.980 -5.039 5.946) 14.293 7.975 ( -11.980 5.039 5.946) 14.293 8.197 ( -2.477 -7.056 1.635) 7.655 8.197 ( -2.477 7.056 1.635) 7.655 8.329 ( -4.297 -1.256 2.633) 5.194 8.329 ( -4.297 1.256 2.633) 5.194 8.555 ( -4.676 -4.984 -3.871) 7.854 8.555 ( -4.676 4.984 -3.871) 7.854 8.750 ( -6.472 -5.946 -6.174) 10.741 8.750 ( -6.472 5.946 -6.174) 10.741 8.941 ( -1.869 -2.308 -3.977) 4.963 8.941 ( -1.869 2.308 -3.977) 4.963 9.132 ( -0.282 -1.391 1.865) 2.344 9.132 ( -0.282 1.391 1.865) 2.344 9.315 ( -2.101 -1.130 2.165) 3.221 9.315 ( -2.101 1.130 2.165) 3.221 9.400 ( 5.902 -0.400 0.753) 5.964 9.400 ( 5.902 0.400 0.753) 5.964 9.619 ( 6.331 -4.850 0.826) 8.018 9.619 ( 6.331 4.850 0.826) 8.018 9.842 ( -4.877 -1.250 3.742) 6.273 9.842 ( -4.877 1.250 3.742) 6.273 9.958 ( 3.612 -4.935 2.974) 6.800 9.958 ( 3.612 4.935 2.974) 6.800 10.038 ( 3.486 -1.912 2.544) 4.720 10.038 ( 3.486 1.912 2.544) 4.720 10.345 ( 1.575 -4.844 -7.620) 9.166 10.345 ( 1.575 4.844 -7.620) 9.166 10.480 ( 2.168 -3.592 0.458) 4.221 10.480 ( 2.168 3.592 0.458) 4.221 10.607 ( 2.824 -1.885 -3.926) 5.191 10.607 ( 2.824 1.885 -3.926) 5.191 10.801 ( 1.502 -1.975 -4.609) 5.234 10.801 ( 1.502 1.975 -4.609) 5.234 11.230 ( 6.411 -6.397 0.520) 9.071 11.230 ( 6.411 6.397 0.520) 9.071 11.428 ( 5.771 -7.165 -1.623) 9.342 11.428 ( 5.771 7.165 -1.623) 9.342 12.173 ( 1.595 -6.334 4.190) 7.760 12.173 ( 1.595 6.334 4.190) 7.760 12.266 ( 1.239 -5.191 -0.643) 5.375 12.266 ( 1.239 5.191 -0.643) 5.375 12.777 ( 0.496 -9.187 1.885) 9.392 12.777 ( 0.496 9.187 1.885) 9.392 13.301 ( 8.939 -1.838 -2.659) 9.505 13.301 ( 8.939 1.838 -2.659) 9.505 13.686 ( 1.409 -0.753 1.210) 2.004 13.686 ( 1.409 0.753 1.210) 2.004 13.811 ( 1.660 -0.963 0.412) 1.963 13.811 ( 1.660 0.963 0.412) 1.963 ======================= Grid point 122 (68/84) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -0.918 -13.829 1.246) 13.916 1.358 ( -0.918 13.829 1.246) 13.916 1.616 ( -7.026 -1.933 10.226) 12.557 1.616 ( -7.026 1.933 10.226) 12.557 1.900 ( 9.437 -6.516 -1.083) 11.519 1.900 ( 9.437 6.516 -1.083) 11.519 2.246 ( 0.461 -3.178 -13.763) 14.132 2.246 ( 0.461 3.178 -13.763) 14.132 2.457 ( -9.501 -8.312 -3.379) 13.068 2.457 ( -9.501 8.312 -3.379) 13.068 2.757 ( 0.146 -8.216 -5.978) 10.162 2.757 ( 0.146 8.216 -5.978) 10.162 2.797 ( 2.633 -0.668 -3.308) 4.280 2.797 ( 2.633 0.668 -3.308) 4.280 2.967 ( 1.928 -6.156 1.847) 6.711 2.967 ( 1.928 6.156 1.847) 6.711 3.186 ( 3.335 -0.903 4.051) 5.324 3.186 ( 3.335 0.903 4.051) 5.324 3.335 ( -3.132 -5.070 3.553) 6.938 3.335 ( -3.132 5.070 3.553) 6.938 3.502 ( -3.943 -4.387 3.897) 7.070 3.502 ( -3.943 4.387 3.897) 7.070 3.668 ( 3.508 -3.508 -2.431) 5.525 3.668 ( 3.508 3.508 -2.431) 5.525 3.865 ( 1.288 -3.247 2.899) 4.540 3.865 ( 1.288 3.247 2.899) 4.540 3.999 ( 1.325 -1.817 1.228) 2.562 3.999 ( 1.325 1.817 1.228) 2.562 4.078 ( 0.172 -10.595 -0.985) 10.642 4.078 ( 0.172 10.595 -0.985) 10.642 4.159 ( 3.194 -1.732 1.679) 4.003 4.159 ( 3.194 1.732 1.679) 4.003 4.512 ( 1.035 -3.384 1.396) 3.804 4.512 ( 1.035 3.384 1.396) 3.804 4.660 ( -4.995 -4.686 -0.140) 6.850 4.660 ( -4.995 4.686 -0.140) 6.850 4.824 ( -3.691 -3.945 -1.126) 5.518 4.824 ( -3.691 3.945 -1.126) 5.518 4.987 ( -0.933 -2.041 1.593) 2.751 4.987 ( -0.933 2.041 1.593) 2.751 5.080 ( -4.443 -1.887 -2.803) 5.582 5.080 ( -4.443 1.887 -2.803) 5.582 5.180 ( 0.595 -1.880 -2.131) 2.904 5.180 ( 0.595 1.880 -2.131) 2.904 5.307 ( -4.010 -3.429 1.699) 5.543 5.307 ( -4.010 3.429 1.699) 5.543 5.522 ( -2.266 -1.178 0.226) 2.564 5.522 ( -2.266 1.178 0.226) 2.564 5.692 ( -1.493 -2.651 -2.319) 3.826 5.692 ( -1.493 2.651 -2.319) 3.826 5.746 ( 1.855 -2.322 -0.872) 3.098 5.746 ( 1.855 2.322 -0.872) 3.098 5.906 ( -2.971 -0.531 -2.821) 4.131 5.906 ( -2.971 0.531 -2.821) 4.131 6.018 ( -3.796 -2.075 -0.343) 4.340 6.018 ( -3.796 2.075 -0.343) 4.340 6.179 ( -8.820 -4.259 3.721) 10.478 6.179 ( -8.820 4.259 3.721) 10.478 6.306 ( -9.471 -0.566 -3.918) 10.265 6.306 ( -9.471 0.566 -3.918) 10.265 6.644 ( -0.955 -2.818 -0.572) 3.030 6.644 ( -0.955 2.818 -0.572) 3.030 6.839 ( -6.931 -3.651 5.980) 9.855 6.839 ( -6.931 3.651 5.980) 9.855 7.128 ( -5.176 -5.145 -0.412) 7.310 7.128 ( -5.176 5.145 -0.412) 7.310 7.401 ( -6.720 -3.882 3.568) 8.541 7.401 ( -6.720 3.882 3.568) 8.541 7.617 ( -7.374 -3.782 -0.957) 8.343 7.617 ( -7.374 3.782 -0.957) 8.343 7.711 ( -12.559 -2.936 4.848) 13.779 7.711 ( -12.559 2.936 4.848) 13.779 8.152 ( -2.938 -9.590 1.092) 10.089 8.152 ( -2.938 9.590 1.092) 10.089 8.222 ( -6.079 -1.756 0.956) 6.399 8.222 ( -6.079 1.756 0.956) 6.399 8.457 ( -4.637 -4.255 -3.687) 7.293 8.457 ( -4.637 4.255 -3.687) 7.293 8.601 ( -5.136 -5.604 -1.727) 7.796 8.601 ( -5.136 5.604 -1.727) 7.796 8.879 ( -4.547 -2.282 -5.382) 7.406 8.879 ( -4.547 2.282 -5.382) 7.406 9.143 ( -1.284 -2.447 -1.173) 3.002 9.143 ( -1.284 2.447 -1.173) 3.002 9.255 ( -1.646 -2.515 1.928) 3.570 9.255 ( -1.646 2.515 1.928) 3.570 9.488 ( 2.384 -1.972 -0.276) 3.107 9.488 ( 2.384 1.972 -0.276) 3.107 9.712 ( 1.674 -2.010 4.510) 5.214 9.712 ( 1.674 2.010 4.510) 5.214 9.795 ( 1.983 -1.500 3.623) 4.394 9.795 ( 1.983 1.500 3.623) 4.394 10.056 ( 4.375 -6.512 -1.929) 8.078 10.056 ( 4.375 6.512 -1.929) 8.078 10.114 ( 3.716 -2.489 8.134) 9.283 10.114 ( 3.716 2.489 8.134) 9.283 10.393 ( 3.564 -2.116 -6.688) 7.869 10.393 ( 3.564 2.116 -6.688) 7.869 10.523 ( 1.636 -1.541 -1.456) 2.677 10.523 ( 1.636 1.541 -1.456) 2.677 10.668 ( 3.660 -1.671 -1.658) 4.351 10.668 ( 3.660 1.671 -1.658) 4.351 10.842 ( 2.187 -3.258 -3.648) 5.357 10.842 ( 2.187 3.258 -3.648) 5.357 11.365 ( 6.324 -4.463 -2.879) 8.259 11.365 ( 6.324 4.463 -2.879) 8.259 11.528 ( 3.717 -5.673 -0.710) 6.819 11.528 ( 3.717 5.673 -0.710) 6.819 12.194 ( 0.154 -5.557 4.746) 7.309 12.194 ( 0.154 5.557 4.746) 7.309 12.304 ( 2.374 -1.892 -0.923) 3.173 12.304 ( 2.374 1.892 -0.923) 3.173 12.825 ( 3.844 -12.124 2.005) 12.875 12.825 ( 3.844 12.124 2.005) 12.875 13.481 ( 8.068 -2.612 -1.757) 8.660 13.481 ( 8.068 2.612 -1.757) 8.660 13.727 ( 2.687 -1.111 1.824) 3.432 13.727 ( 2.687 1.111 1.824) 3.432 13.855 ( 2.798 -0.505 -0.269) 2.856 13.855 ( 2.798 0.505 -0.269) 2.856 ======================= Grid point 124 (69/84) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -6.603 -15.968 6.021) 18.298 1.268 ( -6.603 15.968 6.021) 18.298 1.541 ( -0.077 -13.170 15.908) 20.653 1.541 ( -0.077 13.170 15.908) 20.653 2.063 ( 5.614 -5.182 -5.262) 9.277 2.063 ( 5.614 5.182 -5.262) 9.277 2.243 ( -8.544 -11.861 -6.188) 15.874 2.243 ( -8.544 11.862 -6.188) 15.874 2.321 ( 4.839 -5.002 -15.051) 16.582 2.321 ( 4.839 5.002 -15.051) 16.582 2.715 ( -4.152 -3.135 0.583) 5.235 2.715 ( -4.152 3.135 0.583) 5.235 2.853 ( 0.800 -7.742 2.332) 8.125 2.853 ( 0.800 7.742 2.332) 8.125 2.981 ( 0.126 -1.636 2.883) 3.317 2.981 ( 0.126 1.636 2.883) 3.317 3.191 ( -0.910 -6.939 1.365) 7.130 3.191 ( -0.910 6.939 1.365) 7.130 3.319 ( 4.271 -2.805 1.399) 5.298 3.319 ( 4.271 2.805 1.399) 5.298 3.505 ( -0.169 -7.387 -1.172) 7.481 3.505 ( -0.169 7.387 -1.172) 7.481 3.704 ( 0.828 -1.573 -4.576) 4.909 3.704 ( 0.828 1.573 -4.576) 4.909 3.863 ( 0.791 -5.081 4.639) 6.925 3.863 ( 0.791 5.081 4.639) 6.925 3.960 ( -4.958 -3.224 -3.542) 6.893 3.960 ( -4.958 3.224 -3.542) 6.893 4.100 ( 0.169 -6.430 -2.703) 6.977 4.100 ( 0.169 6.430 -2.703) 6.977 4.234 ( 4.788 -7.439 2.917) 9.315 4.234 ( 4.788 7.439 2.917) 9.315 4.504 ( -3.797 -4.566 -2.946) 6.629 4.504 ( -3.797 4.566 -2.946) 6.629 4.628 ( 1.696 -2.395 5.752) 6.457 4.628 ( 1.696 2.395 5.752) 6.457 4.720 ( -5.893 -1.725 0.721) 6.182 4.720 ( -5.893 1.725 0.721) 6.182 4.956 ( -1.943 -1.377 0.631) 2.464 4.956 ( -1.943 1.377 0.631) 2.464 5.011 ( -1.224 -1.536 3.093) 3.664 5.011 ( -1.224 1.536 3.093) 3.664 5.175 ( -0.901 -4.367 -4.928) 6.645 5.175 ( -0.901 4.367 -4.928) 6.645 5.292 ( 1.540 -0.882 1.971) 2.652 5.292 ( 1.540 0.882 1.971) 2.652 5.427 ( -4.698 -0.508 0.383) 4.741 5.427 ( -4.698 0.508 0.383) 4.741 5.661 ( -1.794 -2.154 -0.820) 2.920 5.661 ( -1.794 2.154 -0.820) 2.920 5.789 ( 0.701 -1.876 0.358) 2.035 5.789 ( 0.701 1.876 0.358) 2.035 5.859 ( 0.085 -1.525 -3.466) 3.788 5.859 ( 0.085 1.525 -3.466) 3.788 5.934 ( -4.580 -1.664 0.983) 4.971 5.934 ( -4.580 1.664 0.983) 4.971 6.038 ( -4.220 -0.867 -0.503) 4.337 6.038 ( -4.220 0.867 -0.503) 4.337 6.141 ( -5.919 -1.836 -5.694) 8.416 6.141 ( -5.919 1.836 -5.694) 8.416 6.648 ( 0.900 -4.038 2.407) 4.786 6.648 ( 0.900 4.038 2.407) 4.786 6.756 ( -1.354 -4.293 1.939) 4.901 6.756 ( -1.354 4.293 1.939) 4.901 7.035 ( -3.834 -4.030 -0.907) 5.635 7.035 ( -3.834 4.030 -0.907) 5.635 7.233 ( -9.045 -1.080 1.859) 9.297 7.233 ( -9.045 1.080 1.859) 9.297 7.476 ( -6.333 -1.508 -0.518) 6.530 7.476 ( -6.333 1.508 -0.518) 6.530 7.523 ( -5.162 -2.228 3.102) 6.421 7.523 ( -5.162 2.228 3.102) 6.421 8.026 ( -6.796 -3.836 1.036) 7.873 8.026 ( -6.796 3.836 1.036) 7.873 8.176 ( 0.706 -5.159 2.021) 5.586 8.176 ( 0.706 5.159 2.021) 5.586 8.379 ( -3.006 -3.654 0.060) 4.731 8.379 ( -3.006 3.654 0.060) 4.731 8.551 ( -0.846 -6.419 -2.605) 6.979 8.551 ( -0.846 6.419 -2.605) 6.979 8.766 ( -5.710 -3.247 -0.614) 6.597 8.766 ( -5.710 3.247 -0.614) 6.597 9.073 ( -3.623 -1.762 -6.456) 7.609 9.073 ( -3.623 1.762 -6.456) 7.609 9.266 ( 1.348 -1.296 2.087) 2.802 9.266 ( 1.348 1.296 2.087) 2.802 9.509 ( 0.164 -3.138 -1.228) 3.373 9.509 ( 0.164 3.138 -1.228) 3.373 9.731 ( 1.077 -2.336 7.218) 7.663 9.731 ( 1.077 2.336 7.218) 7.663 9.868 ( 3.299 -2.095 2.654) 4.724 9.868 ( 3.299 2.095 2.654) 4.724 10.100 ( 0.792 -2.371 0.898) 2.656 10.100 ( 0.792 2.371 0.898) 2.656 10.196 ( 3.185 -5.855 3.813) 7.679 10.196 ( 3.185 5.855 3.813) 7.679 10.470 ( 3.218 -2.963 -2.748) 5.166 10.470 ( 3.218 2.963 -2.748) 5.166 10.534 ( -0.187 -1.178 -2.919) 3.153 10.534 ( -0.187 1.178 -2.919) 3.153 10.755 ( 4.067 -2.240 -0.030) 4.643 10.755 ( 4.067 2.240 -0.030) 4.643 10.882 ( 2.249 -2.229 -4.834) 5.779 10.882 ( 2.249 2.229 -4.834) 5.779 11.464 ( 2.961 -2.500 -3.955) 5.537 11.464 ( 2.961 2.500 -3.955) 5.537 11.576 ( 1.249 -3.140 -0.557) 3.425 11.576 ( 1.249 3.140 -0.557) 3.425 12.193 ( 0.153 -3.504 3.620) 5.041 12.193 ( 0.153 3.504 3.620) 5.041 12.352 ( 2.181 -0.923 -1.422) 2.762 12.352 ( 2.181 0.923 -1.422) 2.762 12.908 ( 3.425 -11.392 4.042) 12.564 12.908 ( 3.425 11.392 4.042) 12.564 13.599 ( 3.383 -2.826 -1.227) 4.575 13.599 ( 3.383 2.826 -1.227) 4.575 13.786 ( 2.336 -1.749 2.455) 3.814 13.786 ( 2.336 1.749 2.455) 3.814 13.927 ( 3.802 -1.440 -1.750) 4.426 13.927 ( 3.802 1.440 -1.750) 4.426 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -1.062 0.000 -12.476) 12.521 1.410 ( 1.062 0.000 12.476) 12.521 1.648 ( -1.425 0.000 -23.072) 23.116 1.648 ( 1.425 0.000 23.072) 23.116 1.828 ( -7.960 0.000 0.045) 7.960 1.828 ( 7.960 0.000 -0.045) 7.960 2.281 ( -9.936 0.000 -5.962) 11.588 2.281 ( 9.936 0.000 5.962) 11.588 2.404 ( 0.528 0.000 -0.993) 1.125 2.404 ( -0.528 0.000 0.993) 1.125 2.537 ( -1.343 0.000 -14.247) 14.310 2.537 ( 1.343 0.000 14.247) 14.310 2.736 ( 0.698 0.000 -7.245) 7.278 2.736 ( -0.698 0.000 7.245) 7.278 2.895 ( -3.910 0.000 -8.646) 9.489 2.895 ( 3.910 0.000 8.646) 9.489 3.197 ( 1.608 0.000 -4.808) 5.070 3.197 ( -1.608 0.000 4.808) 5.070 3.394 ( 3.303 0.000 -3.103) 4.532 3.394 ( -3.303 0.000 3.103) 4.532 3.558 ( -1.521 0.000 0.171) 1.531 3.558 ( 1.521 0.000 -0.171) 1.531 3.669 ( -3.826 0.000 -1.876) 4.261 3.669 ( 3.826 0.000 1.876) 4.261 3.863 ( -2.256 0.000 -3.847) 4.460 3.863 ( 2.256 0.000 3.847) 4.460 3.960 ( -6.217 0.000 -0.560) 6.243 3.960 ( 6.217 0.000 0.560) 6.243 4.241 ( -5.582 0.000 1.693) 5.834 4.241 ( 5.582 0.000 -1.693) 5.834 4.289 ( -2.991 0.000 -4.095) 5.071 4.289 ( 2.991 0.000 4.095) 5.071 4.417 ( 4.291 0.000 -4.475) 6.199 4.417 ( -4.291 0.000 4.475) 6.199 4.658 ( 0.262 0.000 -2.256) 2.271 4.658 ( -0.262 0.000 2.256) 2.271 4.727 ( 1.969 0.000 -3.657) 4.153 4.727 ( -1.969 0.000 3.657) 4.153 4.914 ( -2.003 0.000 0.397) 2.042 4.914 ( 2.003 0.000 -0.397) 2.042 5.041 ( -7.358 0.000 -5.115) 8.962 5.041 ( 7.358 0.000 5.115) 8.962 5.196 ( -1.461 0.000 -2.763) 3.125 5.196 ( 1.461 0.000 2.763) 3.125 5.252 ( -2.697 0.000 -0.862) 2.831 5.252 ( 2.697 0.000 0.862) 2.831 5.365 ( -2.655 0.000 -0.821) 2.779 5.365 ( 2.655 0.000 0.821) 2.779 5.595 ( -2.153 0.000 -3.204) 3.860 5.595 ( 2.153 0.000 3.204) 3.860 5.688 ( -2.701 0.000 -7.328) 7.810 5.688 ( 2.701 0.000 7.328) 7.810 5.911 ( -1.859 0.000 -0.051) 1.860 5.911 ( 1.859 0.000 0.051) 1.860 5.921 ( -0.418 0.000 -0.697) 0.812 5.921 ( 0.418 0.000 0.697) 0.812 5.966 ( 2.897 0.000 -2.095) 3.575 5.966 ( -2.897 0.000 2.095) 3.575 5.981 ( -0.168 0.000 -1.273) 1.284 5.981 ( 0.168 0.000 1.273) 1.284 6.626 ( 1.598 0.000 -5.946) 6.157 6.626 ( -1.598 0.000 5.946) 6.157 6.979 ( -0.052 0.000 -5.731) 5.732 6.979 ( 0.052 0.000 5.731) 5.732 7.057 ( -7.136 0.000 -2.243) 7.480 7.057 ( 7.136 0.000 2.243) 7.480 7.112 ( 2.627 0.000 -3.604) 4.460 7.112 ( -2.627 0.000 3.604) 4.460 7.333 ( 1.936 0.000 -4.649) 5.036 7.333 ( -1.936 0.000 4.649) 5.036 7.508 ( 0.023 0.000 -2.910) 2.910 7.508 ( -0.023 0.000 2.910) 2.910 7.700 ( 3.380 0.000 -5.224) 6.222 7.700 ( -3.380 0.000 5.224) 6.222 8.201 ( -3.720 0.000 -1.501) 4.012 8.201 ( 3.720 0.000 1.501) 4.012 8.386 ( 1.933 0.000 -3.850) 4.308 8.386 ( -1.933 0.000 3.850) 4.308 8.684 ( -0.619 0.000 -2.879) 2.945 8.684 ( 0.619 0.000 2.879) 2.945 8.805 ( -5.217 0.000 -1.209) 5.356 8.805 ( 5.217 0.000 1.209) 5.356 8.899 ( -0.649 0.000 -7.454) 7.482 8.899 ( 0.649 0.000 7.454) 7.482 9.228 ( -0.336 0.000 -0.584) 0.674 9.228 ( 0.336 0.000 0.584) 0.674 9.499 ( -1.653 0.000 -0.976) 1.920 9.499 ( 1.653 0.000 0.976) 1.920 9.708 ( 1.552 0.000 -0.853) 1.771 9.708 ( -1.552 0.000 0.853) 1.771 10.027 ( -2.327 0.000 -6.429) 6.837 10.027 ( 2.327 0.000 6.429) 6.837 10.133 ( -2.214 0.000 -2.499) 3.338 10.133 ( 2.214 0.000 2.499) 3.338 10.290 ( -1.683 0.000 -7.280) 7.472 10.290 ( 1.683 0.000 7.280) 7.472 10.492 ( -0.612 0.000 -2.635) 2.705 10.492 ( 0.612 0.000 2.635) 2.705 10.533 ( 0.592 0.000 -1.835) 1.928 10.533 ( -0.592 0.000 1.835) 1.928 10.787 ( 2.419 0.000 -6.098) 6.560 10.787 ( -2.419 0.000 6.098) 6.560 10.922 ( -3.173 0.000 -0.946) 3.311 10.922 ( 3.173 0.000 0.946) 3.311 11.472 ( -1.809 0.000 -1.631) 2.436 11.472 ( 1.809 0.000 1.631) 2.436 11.622 ( -7.591 0.000 1.508) 7.740 11.622 ( 7.591 0.000 -1.508) 7.740 12.089 ( 5.431 0.000 -2.000) 5.787 12.089 ( -5.431 0.000 2.000) 5.787 12.407 ( 0.075 0.000 -1.170) 1.172 12.407 ( -0.075 0.000 1.170) 1.172 12.957 ( -5.229 0.000 -11.768) 12.877 12.957 ( 5.229 0.000 11.768) 12.877 13.657 ( 0.747 0.000 -4.708) 4.767 13.657 ( -0.747 0.000 4.708) 4.767 13.798 ( -1.367 0.000 -1.407) 1.962 13.798 ( 1.367 0.000 1.407) 1.962 13.925 ( 0.775 0.000 -4.600) 4.665 13.925 ( -0.775 0.000 4.600) 4.665 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -3.988 0.000 6.052) 7.248 1.388 ( -4.318 0.000 -13.687) 14.352 1.545 ( -4.741 0.000 7.161) 8.588 1.652 ( 6.145 0.000 6.173) 8.710 1.821 ( 2.420 0.000 -5.191) 5.728 2.000 ( 6.825 0.000 -1.622) 7.015 2.143 ( -1.765 0.000 -8.986) 9.158 2.340 ( -7.488 0.000 10.235) 12.682 2.412 ( 0.419 0.000 4.701) 4.720 2.515 ( 7.934 0.000 -2.105) 8.209 2.532 ( -4.071 0.000 -5.939) 7.201 2.643 ( 6.473 0.000 12.747) 14.297 2.731 ( -0.433 0.000 2.505) 2.542 2.738 ( 5.543 0.000 -7.884) 9.638 2.892 ( -3.574 0.000 6.560) 7.470 2.899 ( 6.453 0.000 -14.607) 15.969 3.158 ( -0.167 0.000 9.280) 9.281 3.186 ( -3.085 0.000 -0.724) 3.168 3.281 ( -5.788 0.000 -2.418) 6.272 3.415 ( -0.513 0.000 -2.404) 2.459 3.558 ( 1.560 0.000 -1.493) 2.159 3.612 ( -2.250 0.000 0.460) 2.297 3.641 ( 6.091 0.000 4.250) 7.427 3.720 ( -8.837 0.000 -1.578) 8.976 3.758 ( 4.515 0.000 0.811) 4.587 3.787 ( -3.288 0.000 -4.322) 5.431 4.050 ( 7.184 0.000 1.267) 7.295 4.098 ( 0.229 0.000 -0.684) 0.721 4.185 ( 1.957 0.000 3.552) 4.055 4.192 ( -6.509 0.000 -5.015) 8.217 4.311 ( -2.573 0.000 7.572) 7.998 4.356 ( 1.716 0.000 3.166) 3.601 4.367 ( 6.008 0.000 -1.848) 6.286 4.531 ( 7.068 0.000 -0.277) 7.074 4.638 ( -3.262 0.000 -1.101) 3.443 4.663 ( 1.218 0.000 5.325) 5.463 4.730 ( 1.594 0.000 1.825) 2.423 4.774 ( 0.343 0.000 -3.088) 3.107 4.922 ( 2.476 0.000 -0.740) 2.584 4.924 ( -0.610 0.000 -0.701) 0.929 5.006 ( 3.242 0.000 -7.550) 8.217 5.124 ( -3.685 0.000 -3.702) 5.223 5.180 ( -0.952 0.000 2.643) 2.809 5.181 ( -1.019 0.000 1.680) 1.965 5.230 ( 5.821 0.000 -2.705) 6.418 5.256 ( -2.159 0.000 -0.110) 2.161 5.378 ( 4.084 0.000 -1.232) 4.266 5.437 ( 4.935 0.000 1.846) 5.269 5.579 ( -2.937 0.000 1.493) 3.295 5.580 ( 0.974 0.000 2.421) 2.610 5.703 ( 4.123 0.000 -4.569) 6.154 5.727 ( 1.327 0.000 4.670) 4.855 5.912 ( -1.921 0.000 4.046) 4.479 5.912 ( 1.164 0.000 -3.606) 3.789 5.916 ( -1.216 0.000 -0.245) 1.240 5.948 ( 3.617 0.000 -1.777) 4.030 6.009 ( 5.157 0.000 1.795) 5.460 6.018 ( 4.091 0.000 4.060) 5.764 6.064 ( 6.232 0.000 -0.085) 6.233 6.079 ( 11.816 0.000 -4.724) 12.725 6.603 ( -0.507 0.000 6.597) 6.617 6.653 ( 1.187 0.000 -5.396) 5.525 6.983 ( -0.020 0.000 -6.714) 6.714 7.028 ( 4.167 0.000 -7.965) 8.989 7.037 ( 3.014 0.000 5.211) 6.020 7.114 ( 4.664 0.000 3.146) 5.626 7.230 ( 7.738 0.000 -2.097) 8.017 7.266 ( 10.885 0.000 4.104) 11.633 7.391 ( 7.511 0.000 0.325) 7.518 7.392 ( 2.734 0.000 1.193) 2.983 7.576 ( 7.292 0.000 -0.942) 7.352 7.606 ( 9.858 0.000 -2.832) 10.257 7.687 ( 2.299 0.000 4.453) 5.011 7.809 ( 6.950 0.000 -4.070) 8.054 8.160 ( 0.951 0.000 -0.537) 1.092 8.263 ( 1.654 0.000 -0.595) 1.758 8.360 ( -0.538 0.000 7.610) 7.629 8.422 ( 1.549 0.000 -4.276) 4.548 8.700 ( 2.242 0.000 -1.935) 2.962 8.719 ( -2.054 0.000 5.657) 6.019 8.732 ( 3.238 0.000 -3.455) 4.735 8.868 ( 1.119 0.000 -1.431) 1.817 8.948 ( 3.925 0.000 6.649) 7.721 8.964 ( 6.260 0.000 -4.008) 7.433 9.237 ( 1.458 0.000 0.425) 1.519 9.237 ( 0.213 0.000 0.907) 0.932 9.466 ( -1.391 0.000 -1.319) 1.917 9.523 ( 0.095 0.000 1.190) 1.193 9.675 ( -1.059 0.000 0.453) 1.152 9.724 ( -0.150 0.000 -1.520) 1.527 9.960 ( -3.768 0.000 -9.621) 10.333 10.036 ( -1.799 0.000 4.332) 4.691 10.061 ( -5.068 0.000 1.114) 5.189 10.181 ( 2.777 0.000 6.467) 7.038 10.216 ( -5.156 0.000 -5.803) 7.763 10.298 ( -0.629 0.000 8.299) 8.323 10.447 ( -3.845 0.000 -1.173) 4.020 10.476 ( -2.377 0.000 3.748) 4.439 10.491 ( -3.257 0.000 -3.864) 5.053 10.513 ( -2.401 0.000 -6.012) 6.473 10.721 ( -4.264 0.000 7.906) 8.983 10.815 ( 0.167 0.000 -3.004) 3.009 10.845 ( -3.684 0.000 -1.973) 4.179 10.947 ( -1.053 0.000 -3.248) 3.415 11.399 ( -5.031 0.000 -1.901) 5.378 11.465 ( -4.188 0.000 0.580) 4.228 11.479 ( -4.212 0.000 0.460) 4.237 11.754 ( 4.981 0.000 -3.996) 6.386 12.002 ( -3.264 0.000 3.300) 4.642 12.216 ( 6.755 0.000 -1.466) 6.913 12.409 ( 0.137 0.000 -2.288) 2.292 12.412 ( 0.901 0.000 -1.125) 1.441 12.767 ( -12.979 0.000 -8.532) 15.532 12.998 ( -0.850 0.000 12.685) 12.714 13.595 ( -5.636 0.000 5.709) 8.022 13.617 ( -4.891 0.000 -5.168) 7.116 13.761 ( -2.035 0.000 -0.678) 2.145 13.810 ( -0.541 0.000 2.084) 2.153 13.864 ( -4.289 0.000 3.410) 5.479 13.896 ( -2.744 0.000 -2.463) 3.688 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -5.437 0.000 19.472) 20.216 1.318 ( -0.268 0.000 -18.750) 18.752 1.528 ( 2.753 0.000 -5.991) 6.593 1.844 ( 7.831 0.000 12.873) 15.068 1.883 ( 3.055 0.000 -12.156) 12.534 1.953 ( -16.543 0.000 4.344) 17.103 2.183 ( 4.191 0.000 8.139) 9.155 2.194 ( 2.798 0.000 -6.199) 6.802 2.321 ( -5.227 0.000 -3.755) 6.436 2.482 ( -0.102 0.000 -2.977) 2.979 2.568 ( -2.924 0.000 4.061) 5.004 2.651 ( -4.143 0.000 6.542) 7.744 2.793 ( 3.031 0.000 4.668) 5.565 2.910 ( 8.580 0.000 3.714) 9.349 2.920 ( 7.103 0.000 -8.706) 11.236 3.026 ( 3.155 0.000 -5.606) 6.433 3.093 ( -2.402 0.000 -2.495) 3.463 3.206 ( 1.232 0.000 6.886) 6.996 3.229 ( -0.073 0.000 -2.966) 2.967 3.367 ( -4.797 0.000 0.751) 4.855 3.570 ( -4.635 0.000 -1.160) 4.778 3.575 ( -1.517 0.000 1.572) 2.185 3.628 ( 3.541 0.000 -3.636) 5.075 3.690 ( -5.134 0.000 -4.609) 6.899 3.798 ( 7.756 0.000 6.461) 10.095 3.839 ( 3.211 0.000 1.295) 3.462 4.018 ( -5.118 0.000 2.339) 5.627 4.052 ( -5.792 0.000 -4.115) 7.105 4.151 ( 2.398 0.000 -2.801) 3.687 4.154 ( -2.432 0.000 -2.636) 3.587 4.359 ( 3.406 0.000 5.354) 6.346 4.424 ( 4.180 0.000 3.652) 5.551 4.432 ( -6.981 0.000 -5.052) 8.617 4.485 ( -3.514 0.000 2.552) 4.343 4.647 ( 3.080 0.000 3.145) 4.402 4.717 ( 3.979 0.000 6.114) 7.295 4.769 ( 0.093 0.000 -0.557) 0.564 4.781 ( 3.316 0.000 0.695) 3.388 4.929 ( 0.598 0.000 3.247) 3.302 4.956 ( -0.851 0.000 -1.198) 1.470 5.066 ( 4.012 0.000 -9.568) 10.375 5.074 ( -0.182 0.000 -3.059) 3.064 5.163 ( 1.528 0.000 -2.327) 2.784 5.198 ( 0.995 0.000 -0.177) 1.010 5.296 ( 7.526 0.000 1.036) 7.597 5.320 ( 1.101 0.000 3.055) 3.247 5.477 ( 4.816 0.000 -3.285) 5.829 5.555 ( 0.156 0.000 -0.389) 0.419 5.585 ( 8.748 0.000 0.429) 8.758 5.613 ( 1.255 0.000 5.615) 5.754 5.745 ( -0.137 0.000 4.538) 4.540 5.757 ( 1.186 0.000 -4.630) 4.779 5.847 ( -1.962 0.000 4.904) 5.282 5.936 ( 0.987 0.000 -3.483) 3.620 5.953 ( 3.503 0.000 0.323) 3.518 6.053 ( 5.620 0.000 -1.695) 5.870 6.143 ( 8.288 0.000 -3.611) 9.040 6.144 ( 7.325 0.000 4.748) 8.730 6.222 ( 9.292 0.000 2.132) 9.534 6.374 ( 14.830 0.000 -3.807) 15.311 6.617 ( 1.655 0.000 5.969) 6.195 6.687 ( 2.427 0.000 -5.710) 6.204 7.023 ( 3.675 0.000 -7.296) 8.170 7.103 ( 4.723 0.000 2.797) 5.489 7.138 ( 6.528 0.000 -10.399) 12.278 7.247 ( 7.117 0.000 5.934) 9.266 7.382 ( 7.307 0.000 -7.828) 10.708 7.438 ( 4.142 0.000 4.568) 6.166 7.465 ( 4.802 0.000 8.983) 10.186 7.579 ( 11.165 0.000 -1.460) 11.260 7.778 ( 9.461 0.000 6.897) 11.708 7.821 ( 8.996 0.000 -9.264) 12.913 7.853 ( 14.984 0.000 -3.266) 15.336 7.974 ( 10.067 0.000 -1.274) 10.147 8.259 ( 7.573 0.000 1.857) 7.797 8.290 ( 2.085 0.000 -0.573) 2.163 8.350 ( -0.860 0.000 9.944) 9.981 8.446 ( 1.253 0.000 -5.732) 5.867 8.690 ( -0.800 0.000 6.116) 6.168 8.775 ( 5.156 0.000 0.768) 5.212 8.816 ( 3.623 0.000 -1.147) 3.800 8.908 ( 3.252 0.000 -3.428) 4.725 9.069 ( 3.527 0.000 -1.540) 3.848 9.074 ( 8.325 0.000 3.823) 9.161 9.234 ( -0.196 0.000 0.162) 0.255 9.291 ( 3.514 0.000 2.227) 4.160 9.437 ( -1.865 0.000 -2.178) 2.867 9.471 ( -5.257 0.000 -0.748) 5.310 9.690 ( 1.949 0.000 2.150) 2.902 9.704 ( -1.543 0.000 -0.397) 1.593 9.866 ( -6.240 0.000 -12.047) 13.568 9.948 ( -4.275 0.000 1.399) 4.498 9.977 ( -3.374 0.000 2.980) 4.502 10.074 ( -7.810 0.000 -3.015) 8.372 10.254 ( 2.929 0.000 7.243) 7.813 10.290 ( 0.118 0.000 7.488) 7.489 10.342 ( -6.106 0.000 1.216) 6.226 10.380 ( -6.162 0.000 -0.133) 6.163 10.430 ( -2.798 0.000 -4.075) 4.943 10.435 ( -4.966 0.000 -7.133) 8.692 10.614 ( -6.421 0.000 6.621) 9.223 10.767 ( -5.445 0.000 -0.034) 5.445 10.787 ( -1.889 0.000 0.331) 1.918 10.901 ( -2.136 0.000 -8.756) 9.013 11.280 ( -6.283 0.000 -1.956) 6.580 11.341 ( -6.691 0.000 1.569) 6.872 11.425 ( -2.440 0.000 1.076) 2.667 11.815 ( 1.121 0.000 -4.798) 4.927 11.955 ( -1.546 0.000 3.595) 3.913 12.324 ( 1.099 0.000 -3.151) 3.337 12.418 ( 1.107 0.000 -2.277) 2.532 12.459 ( -8.669 0.000 -2.222) 8.949 12.472 ( 0.104 0.000 -5.502) 5.503 12.956 ( -2.958 0.000 12.206) 12.559 13.429 ( -10.457 0.000 7.341) 12.777 13.458 ( -10.051 0.000 -4.967) 11.212 13.721 ( -1.810 0.000 -0.511) 1.881 13.757 ( -3.406 0.000 1.282) 3.640 13.814 ( -1.219 0.000 2.166) 2.486 13.842 ( -2.196 0.000 -1.143) 2.475 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -3.731 0.000 6.529) 7.520 1.382 ( 5.602 0.000 -8.069) 9.823 1.462 ( -22.232 0.000 6.632) 23.200 1.665 ( -0.829 0.000 -9.796) 9.831 1.743 ( -2.601 0.000 4.305) 5.030 2.125 ( 13.242 0.000 9.591) 16.351 2.294 ( 11.695 0.000 -14.461) 18.598 2.325 ( 6.728 0.000 6.986) 9.699 2.403 ( -7.068 0.000 4.221) 8.232 2.420 ( 6.924 0.000 -4.834) 8.445 2.531 ( 1.338 0.000 -0.504) 1.430 2.540 ( -3.332 0.000 3.558) 4.874 2.871 ( -10.044 0.000 -0.095) 10.044 2.894 ( 4.976 0.000 1.609) 5.229 3.008 ( -5.362 0.000 2.493) 5.913 3.027 ( -1.048 0.000 -0.066) 1.050 3.116 ( -9.364 0.000 -3.323) 9.936 3.116 ( -0.371 0.000 -1.592) 1.634 3.248 ( 0.593 0.000 -2.149) 2.229 3.283 ( 1.231 0.000 0.550) 1.348 3.493 ( -2.641 0.000 -0.094) 2.642 3.507 ( -3.047 0.000 -1.312) 3.317 3.607 ( -4.974 0.000 6.770) 8.401 3.727 ( 8.326 0.000 -8.840) 12.143 3.832 ( -5.902 0.000 -3.108) 6.670 3.894 ( 2.274 0.000 2.909) 3.692 3.988 ( 1.306 0.000 -4.484) 4.670 4.017 ( -1.666 0.000 4.619) 4.911 4.111 ( -2.759 0.000 -2.364) 3.634 4.180 ( 2.016 0.000 -2.245) 3.017 4.250 ( -0.549 0.000 -0.302) 0.627 4.439 ( 2.245 0.000 0.839) 2.397 4.485 ( 4.401 0.000 3.757) 5.787 4.513 ( 2.921 0.000 7.221) 7.790 4.652 ( -3.165 0.000 5.184) 6.074 4.761 ( -0.135 0.000 -3.157) 3.160 4.793 ( -2.843 0.000 1.713) 3.319 4.829 ( 5.954 0.000 -2.551) 6.477 4.934 ( -0.534 0.000 3.415) 3.457 4.970 ( 2.574 0.000 1.386) 2.923 5.093 ( 1.351 0.000 -2.260) 2.633 5.147 ( 3.920 0.000 -6.569) 7.650 5.226 ( 3.315 0.000 -2.829) 4.359 5.236 ( 1.433 0.000 1.598) 2.147 5.306 ( -0.606 0.000 3.269) 3.325 5.458 ( 7.013 0.000 0.816) 7.060 5.513 ( -1.375 0.000 -4.349) 4.561 5.594 ( 3.204 0.000 -0.496) 3.242 5.614 ( -0.566 0.000 6.090) 6.116 5.690 ( -0.731 0.000 0.565) 0.924 5.774 ( 1.071 0.000 -6.490) 6.577 5.788 ( 6.227 0.000 3.390) 7.090 5.841 ( 0.250 0.000 5.684) 5.689 5.946 ( 0.115 0.000 -3.061) 3.064 6.039 ( 4.399 0.000 -0.835) 4.478 6.135 ( 2.340 0.000 -2.119) 3.156 6.291 ( 6.632 0.000 8.177) 10.529 6.321 ( 8.211 0.000 -7.673) 11.238 6.419 ( 9.053 0.000 4.230) 9.992 6.597 ( 6.039 0.000 -3.348) 6.905 6.665 ( 2.701 0.000 5.504) 6.131 6.732 ( 1.650 0.000 -6.380) 6.590 7.123 ( 6.102 0.000 -6.084) 8.617 7.233 ( 6.964 0.000 2.348) 7.349 7.266 ( 6.029 0.000 -10.394) 12.016 7.376 ( 4.096 0.000 1.927) 4.526 7.488 ( 2.727 0.000 5.282) 5.944 7.539 ( 7.255 0.000 -7.663) 10.553 7.591 ( 7.929 0.000 8.516) 11.636 7.801 ( 9.669 0.000 1.785) 9.832 7.964 ( 7.247 0.000 3.690) 8.132 7.974 ( 7.505 0.000 -9.916) 12.436 8.157 ( 13.684 0.000 0.711) 13.703 8.182 ( 8.361 0.000 -1.519) 8.497 8.337 ( 1.096 0.000 6.881) 6.967 8.380 ( 3.405 0.000 -0.461) 3.436 8.394 ( 7.290 0.000 3.983) 8.308 8.500 ( 4.149 0.000 -4.812) 6.353 8.659 ( -3.263 0.000 6.025) 6.851 8.886 ( 4.453 0.000 1.648) 4.748 8.909 ( 7.406 0.000 3.499) 8.191 8.973 ( 1.490 0.000 -5.226) 5.434 9.137 ( 5.401 0.000 0.386) 5.415 9.214 ( 2.056 0.000 1.182) 2.372 9.275 ( 4.475 0.000 -3.088) 5.437 9.284 ( -7.877 0.000 3.144) 8.481 9.385 ( -1.403 0.000 -1.218) 1.858 9.395 ( 1.048 0.000 -2.646) 2.846 9.657 ( -8.608 0.000 3.844) 9.427 9.659 ( -3.288 0.000 2.645) 4.220 9.747 ( -0.756 0.000 -6.263) 6.308 9.915 ( -6.742 0.000 -3.579) 7.633 9.927 ( 1.038 0.000 -8.411) 8.475 9.931 ( -1.319 0.000 3.173) 3.436 10.199 ( -7.275 0.000 1.243) 7.381 10.218 ( -4.729 0.000 1.855) 5.080 10.285 ( -4.448 0.000 1.445) 4.677 10.314 ( -1.518 0.000 1.946) 2.468 10.361 ( 1.533 0.000 0.602) 1.647 10.410 ( 1.921 0.000 -2.346) 3.032 10.471 ( -7.570 0.000 5.522) 9.370 10.612 ( -8.818 0.000 -1.120) 8.889 10.768 ( -0.069 0.000 2.939) 2.940 10.863 ( -1.704 0.000 -8.238) 8.413 11.159 ( -5.203 0.000 -2.540) 5.790 11.200 ( -6.662 0.000 2.602) 7.152 11.392 ( -0.368 0.000 2.966) 2.989 11.796 ( -3.442 0.000 -6.907) 7.717 11.931 ( -1.080 0.000 2.595) 2.810 12.086 ( -14.240 0.000 0.193) 14.241 12.443 ( 4.137 0.000 -4.919) 6.427 12.461 ( 3.245 0.000 -1.301) 3.496 12.593 ( 6.235 0.000 -5.347) 8.214 12.893 ( -3.718 0.000 11.152) 11.755 13.207 ( -10.572 0.000 7.823) 13.152 13.238 ( -10.602 0.000 -4.478) 11.508 13.690 ( -1.142 0.000 -0.721) 1.350 13.705 ( -1.826 0.000 0.857) 2.017 13.792 ( -0.968 0.000 2.127) 2.337 13.806 ( -1.395 0.000 -1.332) 1.928 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -4.441 0.000 -3.412) 5.600 1.117 ( -9.284 0.000 6.018) 11.064 1.463 ( -3.077 0.000 -4.518) 5.466 1.470 ( 0.711 0.000 3.768) 3.835 2.021 ( 15.655 0.000 -0.695) 15.671 2.223 ( -5.046 0.000 -0.608) 5.082 2.381 ( -1.549 0.000 -3.004) 3.380 2.433 ( 14.008 0.000 7.118) 15.713 2.454 ( -1.487 0.000 2.886) 3.247 2.557 ( 0.078 0.000 3.021) 3.022 2.568 ( 6.621 0.000 -2.190) 6.973 2.635 ( 8.725 0.000 -5.571) 10.352 2.690 ( 0.727 0.000 1.596) 1.754 2.754 ( -14.750 0.000 -4.207) 15.338 2.882 ( -10.592 0.000 -2.222) 10.822 2.914 ( -10.163 0.000 4.004) 10.924 2.975 ( 3.250 0.000 -3.602) 4.851 3.068 ( -4.328 0.000 3.556) 5.602 3.253 ( 2.237 0.000 2.796) 3.581 3.355 ( -3.475 0.000 -1.715) 3.875 3.414 ( 1.305 0.000 -5.839) 5.983 3.493 ( -3.143 0.000 4.137) 5.195 3.566 ( 5.848 0.000 1.917) 6.154 3.716 ( -6.404 0.000 -0.690) 6.441 3.916 ( 4.849 0.000 -10.006) 11.120 3.918 ( 0.318 0.000 3.151) 3.167 3.961 ( 0.742 0.000 5.254) 5.306 4.001 ( -0.385 0.000 -4.367) 4.384 4.063 ( 2.331 0.000 -4.755) 5.295 4.175 ( -2.644 0.000 3.237) 4.180 4.359 ( 2.935 0.000 0.296) 2.950 4.403 ( -3.146 0.000 2.809) 4.218 4.576 ( 0.860 0.000 3.876) 3.970 4.610 ( 2.747 0.000 2.064) 3.436 4.642 ( 8.137 0.000 7.272) 10.913 4.715 ( -1.867 0.000 2.010) 2.744 4.754 ( -1.081 0.000 -6.475) 6.565 4.844 ( -7.745 0.000 -0.368) 7.754 4.964 ( 4.698 0.000 -5.137) 6.962 5.004 ( 0.325 0.000 0.956) 1.010 5.121 ( 2.858 0.000 -4.487) 5.320 5.206 ( -2.575 0.000 3.954) 4.718 5.224 ( 1.552 0.000 -0.030) 1.553 5.258 ( -0.265 0.000 -0.816) 0.858 5.356 ( 4.552 0.000 5.649) 7.255 5.449 ( -3.977 0.000 -5.751) 6.992 5.576 ( 4.244 0.000 -1.461) 4.488 5.613 ( 0.279 0.000 3.782) 3.792 5.635 ( 0.592 0.000 -0.612) 0.851 5.656 ( -2.112 0.000 1.295) 2.478 5.803 ( 1.835 0.000 -7.644) 7.861 5.833 ( -0.998 0.000 7.744) 7.809 5.897 ( 3.472 0.000 1.009) 3.615 5.939 ( -0.923 0.000 -2.089) 2.284 6.116 ( 2.953 0.000 -0.398) 2.980 6.152 ( -0.541 0.000 -1.187) 1.304 6.406 ( 3.968 0.000 11.640) 12.298 6.431 ( 2.271 0.000 -11.100) 11.330 6.565 ( 5.046 0.000 4.970) 7.083 6.631 ( -1.332 0.000 -4.522) 4.714 6.717 ( 1.900 0.000 5.807) 6.110 6.742 ( -0.425 0.000 -6.394) 6.408 7.244 ( 5.323 0.000 -1.968) 5.675 7.315 ( -0.453 0.000 0.644) 0.787 7.366 ( 3.547 0.000 -9.053) 9.724 7.397 ( -0.318 0.000 5.560) 5.569 7.584 ( 4.776 0.000 2.219) 5.266 7.625 ( 1.260 0.000 -1.140) 1.699 7.774 ( 8.224 0.000 1.106) 8.298 7.886 ( -1.941 0.000 -1.295) 2.334 8.105 ( 6.592 0.000 9.228) 11.340 8.124 ( 6.055 0.000 -10.153) 11.821 8.263 ( 0.698 0.000 -2.069) 2.183 8.292 ( -0.587 0.000 2.773) 2.835 8.450 ( 3.644 0.000 -2.601) 4.477 8.454 ( 7.199 0.000 7.748) 10.576 8.534 ( -1.277 0.000 3.582) 3.803 8.547 ( -0.493 0.000 -3.070) 3.109 8.622 ( 9.199 0.000 0.534) 9.215 8.876 ( -9.987 0.000 -4.351) 10.893 9.032 ( 8.746 0.000 2.590) 9.122 9.074 ( 2.667 0.000 1.799) 3.217 9.135 ( 2.876 0.000 2.012) 3.510 9.186 ( -3.004 0.000 0.636) 3.071 9.254 ( -4.015 0.000 -1.808) 4.403 9.311 ( -10.160 0.000 -2.686) 10.509 9.345 ( 11.315 0.000 -1.504) 11.414 9.456 ( 4.575 0.000 -4.317) 6.290 9.531 ( -2.807 0.000 5.345) 6.038 9.556 ( -7.599 0.000 3.225) 8.256 9.749 ( 0.752 0.000 -5.351) 5.404 9.797 ( -4.259 0.000 2.915) 5.161 9.931 ( 0.382 0.000 2.846) 2.872 9.938 ( 0.019 0.000 -8.280) 8.280 10.103 ( -0.386 0.000 -2.287) 2.320 10.166 ( -4.998 0.000 2.122) 5.430 10.199 ( 2.313 0.000 0.929) 2.493 10.285 ( -2.489 0.000 1.255) 2.787 10.334 ( -2.982 0.000 2.982) 4.217 10.395 ( -3.406 0.000 -3.273) 4.724 10.460 ( 1.653 0.000 0.244) 1.671 10.468 ( -1.565 0.000 2.515) 2.962 10.783 ( 1.386 0.000 5.104) 5.289 10.822 ( -2.086 0.000 -7.025) 7.328 11.084 ( -1.737 0.000 -3.569) 3.970 11.096 ( -3.116 0.000 3.713) 4.848 11.441 ( 5.799 0.000 5.069) 7.702 11.628 ( -11.271 0.000 -7.644) 13.619 11.913 ( -0.610 0.000 0.934) 1.116 11.923 ( -2.450 0.000 1.454) 2.849 12.531 ( 3.518 0.000 -4.262) 5.526 12.534 ( 2.945 0.000 0.549) 2.996 12.700 ( 4.549 0.000 -7.225) 8.538 12.801 ( -5.510 0.000 9.855) 11.291 13.049 ( -4.142 0.000 7.232) 8.334 13.063 ( -5.391 0.000 -5.296) 7.557 13.676 ( -0.247 0.000 -0.956) 0.987 13.680 ( -0.711 0.000 0.989) 1.218 13.780 ( -0.232 0.000 1.959) 1.973 13.785 ( -0.660 0.000 -1.698) 1.822 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.140 -3.678 -17.394) 17.779 1.345 ( 0.140 -3.678 17.394) 17.779 1.735 ( 1.819 7.628 -24.111) 25.354 1.735 ( -1.819 7.628 24.111) 25.354 1.890 ( -0.626 3.130 -13.028) 13.413 1.890 ( 0.626 3.130 13.028) 13.413 2.161 ( -1.957 -9.340 -11.778) 15.159 2.161 ( 1.957 -9.340 11.778) 15.159 2.335 ( 1.545 -7.648 -6.397) 10.090 2.335 ( -1.545 -7.648 6.397) 10.090 2.583 ( 0.683 7.961 -2.969) 8.524 2.583 ( -0.683 7.961 2.969) 8.524 2.784 ( -2.069 6.255 -7.451) 9.946 2.784 ( 2.069 6.255 7.451) 9.946 3.053 ( -0.035 7.714 -7.611) 10.836 3.053 ( 0.035 7.714 7.611) 10.836 3.183 ( 0.513 -2.587 -8.416) 8.820 3.183 ( -0.513 -2.587 8.416) 8.820 3.348 ( 2.547 -0.838 -3.937) 4.764 3.348 ( -2.547 -0.838 3.937) 4.764 3.540 ( -0.942 -6.074 -5.596) 8.313 3.540 ( 0.942 -6.074 5.596) 8.313 3.667 ( -1.544 2.500 -1.100) 3.137 3.667 ( 1.544 2.500 1.100) 3.137 3.839 ( -6.489 -0.112 -0.055) 6.490 3.839 ( 6.489 -0.112 0.055) 6.490 3.943 ( 0.062 -2.877 -2.151) 3.592 3.943 ( -0.062 -2.877 2.151) 3.592 4.153 ( 3.491 -6.710 -2.925) 8.109 4.153 ( -3.491 -6.710 2.925) 8.109 4.312 ( -2.132 2.100 -1.912) 3.551 4.312 ( 2.132 2.100 1.912) 3.551 4.436 ( 3.359 1.265 -3.070) 4.723 4.436 ( -3.359 1.265 3.070) 4.723 4.592 ( 0.177 -4.443 -2.333) 5.021 4.592 ( -0.177 -4.443 2.333) 5.021 4.762 ( -1.738 1.848 -4.902) 5.520 4.762 ( 1.738 1.848 4.902) 5.520 4.923 ( -1.991 1.465 -4.895) 5.484 4.923 ( 1.991 1.465 4.895) 5.484 5.053 ( -5.725 0.701 -3.028) 6.515 5.053 ( 5.725 0.701 3.028) 6.515 5.156 ( -0.692 -3.600 -4.020) 5.441 5.156 ( 0.692 -3.600 4.020) 5.441 5.299 ( 1.197 3.799 -1.837) 4.386 5.299 ( -1.197 3.799 1.837) 4.386 5.374 ( 0.109 0.448 -2.364) 2.409 5.374 ( -0.109 0.448 2.364) 2.409 5.622 ( -1.212 2.042 -2.573) 3.502 5.622 ( 1.212 2.042 2.573) 3.502 5.731 ( -1.453 3.691 -5.848) 7.066 5.731 ( 1.453 3.691 5.848) 7.066 5.877 ( -0.546 -1.959 -2.149) 2.958 5.877 ( 0.546 -1.959 2.149) 2.958 5.928 ( -0.009 -1.902 -2.338) 3.014 5.928 ( 0.009 -1.902 2.338) 3.014 5.962 ( 0.873 0.867 -1.592) 2.012 5.962 ( -0.873 0.867 1.592) 2.012 5.983 ( -0.546 0.130 -2.619) 2.679 5.983 ( 0.546 0.130 2.619) 2.679 6.645 ( 0.443 2.006 -4.529) 4.974 6.645 ( -0.443 2.006 4.529) 4.974 6.867 ( -0.785 -8.138 -2.513) 8.553 6.867 ( 0.785 -8.138 2.513) 8.553 7.029 ( 1.010 -2.710 -1.617) 3.313 7.029 ( -1.010 -2.710 1.617) 3.313 7.108 ( -1.792 1.309 -1.959) 2.960 7.108 ( 1.792 1.309 1.959) 2.960 7.415 ( 3.566 -0.102 -3.024) 4.676 7.415 ( -3.566 -0.102 3.024) 4.676 7.459 ( 1.977 2.415 -2.284) 3.867 7.459 ( -1.977 2.415 2.284) 3.867 7.843 ( 1.532 10.015 -4.246) 10.986 7.843 ( -1.532 10.015 4.246) 10.986 8.217 ( -4.239 1.614 -2.451) 5.155 8.217 ( 4.239 1.614 2.451) 5.155 8.366 ( 1.929 -1.957 -3.035) 4.094 8.366 ( -1.929 -1.957 3.035) 4.094 8.586 ( -0.350 -8.071 -4.972) 9.486 8.586 ( 0.350 -8.071 4.972) 9.486 8.813 ( -2.521 0.878 -6.787) 7.293 8.813 ( 2.521 0.878 6.787) 7.293 8.882 ( 0.162 -1.353 -8.941) 9.044 8.882 ( -0.162 -1.353 8.941) 9.044 9.273 ( 0.229 3.095 -1.147) 3.308 9.273 ( -0.229 3.095 1.147) 3.308 9.496 ( -1.283 -0.319 -1.545) 2.034 9.496 ( 1.283 -0.319 1.545) 2.034 9.752 ( 1.125 3.986 -2.423) 4.799 9.752 ( -1.125 3.986 2.423) 4.799 10.031 ( -1.619 -0.004 -6.442) 6.642 10.031 ( 1.619 -0.004 6.442) 6.642 10.074 ( -1.856 -4.472 -5.032) 6.983 10.074 ( 1.856 -4.472 5.032) 6.983 10.315 ( -1.356 0.486 -5.241) 5.436 10.315 ( 1.356 0.486 5.241) 5.436 10.449 ( 0.753 -1.367 -5.087) 5.321 10.449 ( -0.753 -1.367 5.087) 5.321 10.528 ( -0.140 -0.992 -3.926) 4.051 10.528 ( 0.140 -0.992 3.926) 4.051 10.795 ( 2.205 -0.312 -6.710) 7.070 10.795 ( -2.205 -0.312 6.710) 7.070 10.894 ( -1.299 -1.423 -4.166) 4.590 10.894 ( 1.299 -1.423 4.166) 4.590 11.459 ( -1.628 -0.933 -1.616) 2.477 11.459 ( 1.628 -0.933 1.616) 2.477 11.595 ( -2.585 -1.526 -0.502) 3.043 11.595 ( 2.585 -1.526 0.502) 3.043 12.164 ( -2.643 5.291 -0.097) 5.915 12.164 ( 2.643 5.291 0.097) 5.915 12.388 ( 0.140 -1.661 -0.853) 1.872 12.388 ( -0.140 -1.661 0.853) 1.872 12.980 ( -3.566 1.749 -8.738) 9.599 12.980 ( 3.566 1.749 8.738) 9.599 13.633 ( 0.403 -1.673 -3.483) 3.885 13.633 ( -0.403 -1.673 3.483) 3.885 13.821 ( -1.285 1.636 -1.405) 2.510 13.821 ( 1.285 1.636 1.405) 2.510 13.930 ( 0.315 0.380 -3.523) 3.558 13.930 ( -0.315 0.380 3.523) 3.558 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.574 -1.386 -2.350) 2.788 1.374 ( 0.817 0.223 -0.174) 0.864 1.654 ( -4.707 8.644 15.049) 17.982 1.731 ( 1.385 8.211 -14.647) 16.848 1.903 ( -0.106 0.161 8.467) 8.469 1.926 ( 3.825 -1.652 -9.142) 10.047 2.126 ( -0.428 -4.743 1.541) 5.005 2.214 ( -1.358 -5.424 5.002) 7.502 2.339 ( 0.890 -12.449 -5.361) 13.583 2.359 ( 2.979 -5.516 -1.711) 6.498 2.549 ( -0.195 0.063 1.039) 1.059 2.665 ( 0.723 6.386 5.430) 8.414 2.737 ( -1.481 3.904 0.596) 4.217 2.877 ( 7.154 10.252 -3.157) 12.894 2.961 ( -4.199 3.568 -1.706) 5.769 3.112 ( 0.636 2.696 3.466) 4.437 3.139 ( 0.459 5.774 -0.598) 5.823 3.225 ( -3.936 1.885 -0.458) 4.389 3.286 ( 2.263 3.150 0.329) 3.892 3.370 ( 0.124 -3.266 -3.556) 4.830 3.529 ( -0.329 -5.103 3.209) 6.037 3.566 ( 1.985 -5.038 -3.582) 6.492 3.600 ( -3.478 0.505 0.946) 3.639 3.686 ( -1.677 -2.718 -0.276) 3.206 3.758 ( 1.432 1.104 3.180) 3.658 3.882 ( -0.633 6.175 -1.725) 6.443 3.987 ( 3.179 -7.194 -0.831) 7.909 4.025 ( 3.741 -2.986 2.830) 5.561 4.123 ( 1.919 -7.936 -0.152) 8.166 4.197 ( -1.247 -0.875 -2.923) 3.297 4.266 ( -0.437 1.231 -0.335) 1.348 4.320 ( -5.371 -1.149 4.138) 6.877 4.386 ( 3.351 -1.631 -0.386) 3.747 4.576 ( -1.508 -4.677 1.787) 5.229 4.582 ( 9.059 2.815 0.517) 9.501 4.629 ( 3.058 -0.290 2.512) 3.968 4.742 ( -1.302 0.336 -2.510) 2.847 4.830 ( 2.618 -1.691 3.656) 4.804 4.893 ( -0.584 3.352 -3.628) 4.974 4.960 ( -1.230 3.817 -0.688) 4.069 5.001 ( 3.220 -0.314 -0.101) 3.237 5.107 ( -2.180 -0.928 -4.109) 4.743 5.150 ( 0.414 -2.259 -2.071) 3.092 5.169 ( -0.176 -3.099 -1.422) 3.414 5.254 ( 2.863 3.474 3.315) 5.590 5.300 ( -1.656 1.498 0.406) 2.269 5.416 ( 6.599 2.773 -1.798) 7.380 5.450 ( 2.845 0.853 -0.585) 3.027 5.595 ( -0.956 2.511 0.943) 2.847 5.651 ( -1.971 4.836 3.578) 6.330 5.682 ( 2.036 -1.157 -2.800) 3.650 5.767 ( 1.583 2.798 2.993) 4.393 5.848 ( -2.806 -4.358 2.783) 5.883 5.885 ( 1.196 -2.045 -2.790) 3.660 5.922 ( 1.043 0.479 0.451) 1.233 5.963 ( 2.726 0.286 -0.910) 2.888 6.000 ( 4.349 -0.138 2.534) 5.035 6.040 ( 4.821 0.500 3.259) 5.840 6.067 ( 7.929 0.522 -0.666) 7.974 6.084 ( 11.200 0.268 -3.941) 11.876 6.625 ( -0.892 2.131 2.305) 3.264 6.665 ( 1.280 1.215 -2.038) 2.696 6.850 ( 0.676 -8.323 -1.662) 8.514 6.922 ( 3.864 -6.773 -1.884) 8.022 7.029 ( 2.146 -1.246 -0.573) 2.547 7.099 ( 5.857 -3.405 -1.496) 6.938 7.217 ( 9.185 0.610 1.407) 9.312 7.274 ( 10.324 -0.170 0.048) 10.326 7.426 ( 4.980 1.451 0.396) 5.202 7.462 ( 3.185 4.662 2.158) 6.045 7.561 ( 10.470 -1.029 -3.237) 11.007 7.587 ( 9.395 1.608 -3.083) 10.018 7.858 ( 2.992 11.693 4.067) 12.737 7.910 ( 4.848 8.005 -2.748) 9.754 8.161 ( 0.125 0.068 -1.193) 1.201 8.281 ( 0.764 1.459 0.015) 1.647 8.326 ( -0.497 -3.210 5.630) 6.499 8.416 ( 2.091 -0.819 -2.980) 3.732 8.597 ( 1.569 -7.311 0.339) 7.485 8.625 ( 2.969 -7.624 2.360) 8.515 8.767 ( -0.123 1.764 -2.365) 2.953 8.845 ( -0.271 -1.999 -0.529) 2.085 8.933 ( 5.397 -0.377 7.216) 9.018 8.958 ( 6.055 -0.499 -2.230) 6.472 9.276 ( 0.271 3.029 0.040) 3.041 9.286 ( 1.189 3.086 -1.656) 3.698 9.468 ( -1.349 0.307 -1.481) 2.026 9.516 ( 0.410 -0.957 1.952) 2.213 9.723 ( -1.350 4.567 1.550) 5.009 9.762 ( -0.315 3.365 -2.476) 4.189 9.963 ( -4.071 -0.125 -9.396) 10.241 10.008 ( -3.211 -1.734 5.071) 6.248 10.031 ( -2.998 -3.225 -3.686) 5.742 10.129 ( 2.568 -3.863 8.027) 9.270 10.245 ( -4.362 2.136 -1.137) 4.988 10.321 ( -1.166 -1.577 5.863) 6.182 10.407 ( -3.394 0.001 0.524) 3.434 10.442 ( -1.452 -1.784 -6.660) 7.046 10.468 ( -4.181 -1.487 0.174) 4.441 10.524 ( -1.716 0.281 -0.176) 1.748 10.719 ( -4.749 -0.459 6.761) 8.275 10.790 ( -3.778 -4.180 -3.049) 6.406 10.849 ( 0.050 2.458 -3.833) 4.554 10.928 ( -0.337 -1.592 -2.627) 3.090 11.392 ( -4.664 -0.111 -0.508) 4.693 11.450 ( -2.886 -2.257 1.619) 4.006 11.504 ( -3.988 2.938 0.153) 4.955 11.665 ( 2.188 -5.515 -1.175) 6.048 12.116 ( -1.550 7.843 -0.132) 7.996 12.245 ( 3.895 1.844 -0.587) 4.349 12.377 ( -0.547 -2.072 -1.278) 2.495 12.395 ( 0.748 -2.096 -2.559) 3.391 12.835 ( -9.964 5.550 -6.082) 12.926 12.992 ( -2.021 -0.915 9.242) 9.505 13.582 ( -4.895 -0.866 3.965) 6.358 13.596 ( -4.303 -1.483 -3.245) 5.590 13.780 ( -2.547 1.662 -0.683) 3.117 13.834 ( -0.139 0.972 1.670) 1.937 13.859 ( -5.286 0.376 1.635) 5.545 13.901 ( -2.902 0.127 -0.077) 2.905 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -5.387 4.038 14.989) 16.431 1.349 ( -0.994 2.655 -13.791) 14.079 1.620 ( 2.422 7.706 -4.770) 9.380 1.821 ( -1.733 -1.047 -5.087) 5.475 1.854 ( -5.061 -2.303 7.022) 8.957 1.996 ( 0.585 -3.231 0.257) 3.293 2.086 ( 3.547 -1.585 4.059) 5.619 2.156 ( -0.949 -1.485 -2.437) 3.008 2.340 ( 2.944 -3.970 -5.130) 7.124 2.468 ( 3.313 0.715 6.053) 6.937 2.539 ( -0.076 4.308 -3.102) 5.309 2.701 ( 4.759 -4.049 4.161) 7.507 2.766 ( 3.754 -4.818 7.826) 9.927 2.828 ( -6.756 2.931 0.070) 7.364 2.947 ( -4.230 0.537 -5.638) 7.068 3.075 ( -3.141 -1.481 -1.968) 3.992 3.179 ( 1.492 8.842 -5.299) 10.416 3.211 ( 2.722 2.987 -1.413) 4.281 3.276 ( -2.613 2.529 2.157) 4.228 3.406 ( 1.234 0.253 3.495) 3.715 3.517 ( 1.735 0.500 -3.568) 3.999 3.564 ( -3.350 -1.966 6.613) 7.670 3.661 ( 5.677 0.194 -1.532) 5.883 3.670 ( 1.304 1.261 -5.395) 5.691 3.805 ( 3.135 -1.514 2.458) 4.261 3.895 ( -0.270 5.917 0.204) 5.926 3.976 ( -6.191 -3.138 2.521) 7.384 4.012 ( -0.709 -5.946 -0.314) 5.996 4.125 ( -1.411 -2.778 -3.569) 4.738 4.166 ( 1.271 2.880 -4.024) 5.109 4.238 ( -5.762 -8.164 -1.421) 10.093 4.338 ( 5.172 -1.423 3.001) 6.147 4.444 ( 2.801 -2.991 5.634) 6.967 4.522 ( -2.727 -1.966 -2.278) 4.061 4.664 ( -0.275 2.921 5.923) 6.610 4.698 ( 2.058 1.102 -2.886) 3.712 4.770 ( 5.069 -0.866 1.493) 5.355 4.852 ( 0.486 -4.381 -0.523) 4.439 4.883 ( -1.101 5.228 1.543) 5.561 4.956 ( 1.320 1.534 0.012) 2.024 5.071 ( 1.939 0.162 3.807) 4.276 5.079 ( 0.606 0.755 -3.495) 3.626 5.125 ( 0.829 -1.257 -3.321) 3.646 5.202 ( 1.710 -3.369 0.031) 3.778 5.326 ( 5.011 3.858 -4.185) 7.584 5.369 ( 5.063 2.874 1.159) 5.936 5.475 ( 0.728 -0.477 1.064) 1.374 5.518 ( 1.846 -1.127 -0.990) 2.378 5.625 ( 2.896 1.367 3.477) 4.727 5.647 ( 2.841 2.335 0.501) 3.712 5.719 ( 0.864 -1.454 -0.511) 1.767 5.785 ( -0.058 0.987 0.825) 1.287 5.817 ( 0.633 -1.538 4.306) 4.616 5.913 ( 1.102 -2.065 -1.962) 3.054 5.971 ( 4.005 2.207 -0.633) 4.616 6.056 ( 5.103 -0.090 -1.291) 5.265 6.142 ( 9.088 0.307 0.858) 9.133 6.166 ( 7.093 0.823 4.862) 8.639 6.251 ( 9.933 2.604 -1.358) 10.358 6.364 ( 13.895 -1.314 -3.924) 14.498 6.625 ( 1.029 1.114 1.965) 2.482 6.695 ( 1.499 -0.070 -4.131) 4.395 6.914 ( 5.902 -4.913 -1.252) 7.781 7.037 ( 7.389 -6.378 -3.677) 10.430 7.100 ( 5.059 -1.252 -0.843) 5.279 7.226 ( 5.830 -6.522 -0.228) 8.750 7.379 ( 6.882 4.397 -0.035) 8.166 7.490 ( 9.879 1.275 -1.897) 10.140 7.519 ( 5.106 4.339 3.861) 7.733 7.610 ( 8.266 2.472 -1.650) 8.784 7.790 ( 9.917 0.718 -3.252) 10.461 7.833 ( 14.547 -0.433 -1.158) 14.599 7.953 ( 6.183 9.714 -2.492) 11.781 8.049 ( 9.550 6.869 1.562) 11.867 8.249 ( 7.392 -1.037 1.504) 7.614 8.288 ( 1.307 -2.237 2.350) 3.498 8.326 ( -0.058 -0.243 4.811) 4.817 8.452 ( 1.889 -0.014 -2.950) 3.503 8.634 ( 1.686 -4.980 3.532) 6.334 8.701 ( 4.613 -6.102 0.068) 7.649 8.804 ( 2.941 -0.820 1.401) 3.359 8.853 ( 1.757 -3.726 -0.358) 4.135 9.056 ( 5.572 0.301 1.077) 5.683 9.094 ( 6.604 0.164 3.357) 7.410 9.274 ( -0.052 3.360 -2.636) 4.271 9.321 ( 1.882 2.106 -0.789) 2.932 9.440 ( -1.512 0.508 -1.217) 2.006 9.495 ( -2.829 0.658 0.776) 3.006 9.702 ( -1.670 3.012 0.352) 3.462 9.745 ( -0.333 2.499 0.643) 2.602 9.856 ( -6.884 -1.170 -6.467) 9.518 9.941 ( -3.397 0.180 -2.633) 4.302 9.954 ( -2.981 -2.028 -1.290) 3.829 10.115 ( -3.992 1.737 5.414) 6.947 10.203 ( -0.260 -3.386 1.648) 3.775 10.285 ( -2.893 -4.220 2.709) 5.790 10.314 ( -4.400 0.468 -0.814) 4.499 10.374 ( -4.773 -2.043 -4.698) 7.002 10.394 ( -2.392 2.048 1.164) 3.357 10.469 ( -3.294 1.316 -0.650) 3.606 10.609 ( -6.057 -0.557 6.083) 8.602 10.703 ( -4.522 -4.227 -0.829) 6.245 10.830 ( -2.414 2.232 -1.538) 3.630 10.890 ( -2.318 -0.963 -6.747) 7.198 11.279 ( -6.016 0.524 -0.155) 6.041 11.374 ( -4.069 -1.167 2.326) 4.830 11.413 ( -5.373 2.781 0.142) 6.052 11.682 ( -0.538 -8.377 -1.472) 8.523 12.087 ( -1.593 8.794 -0.250) 8.940 12.274 ( -2.253 -1.576 -0.669) 2.830 12.370 ( -0.073 -2.738 -2.464) 3.684 12.426 ( 1.168 -4.302 -4.940) 6.654 12.638 ( -5.789 10.976 -2.789) 12.719 12.933 ( -3.354 -2.682 8.477) 9.502 13.429 ( -9.898 0.128 5.756) 11.451 13.451 ( -9.552 -0.621 -2.522) 9.898 13.729 ( -2.245 0.770 -0.364) 2.401 13.760 ( -3.836 -0.090 0.762) 3.912 13.821 ( -1.021 0.784 1.796) 2.209 13.845 ( -2.246 0.112 -0.103) 2.251 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -4.668 3.006 4.243) 6.988 1.363 ( 2.039 -1.781 -5.991) 6.574 1.464 ( -19.575 0.438 6.277) 20.562 1.604 ( -12.232 -5.828 -4.226) 14.194 1.832 ( 7.575 8.272 -0.893) 11.252 2.139 ( 10.592 -2.379 -3.859) 11.521 2.254 ( 9.804 -2.817 2.732) 10.560 2.279 ( 9.592 -1.834 5.385) 11.152 2.358 ( -1.244 1.163 1.069) 2.010 2.507 ( 0.090 7.591 -0.187) 7.594 2.572 ( 0.805 3.022 -1.682) 3.551 2.691 ( -1.412 7.241 1.804) 7.595 2.770 ( -8.506 -3.248 -0.492) 9.118 2.830 ( 3.893 -5.306 -0.733) 6.622 2.861 ( 2.049 -8.941 4.027) 10.018 3.045 ( -1.653 -2.464 0.250) 2.977 3.129 ( -0.577 -2.306 -4.544) 5.129 3.176 ( -7.929 3.635 -3.040) 9.237 3.273 ( -1.177 3.422 -0.012) 3.619 3.404 ( -1.156 5.502 1.945) 5.949 3.487 ( -1.726 3.932 1.698) 4.618 3.563 ( -1.963 5.719 -3.163) 6.824 3.645 ( -2.486 -4.792 -0.912) 5.475 3.676 ( -2.599 5.085 1.905) 6.020 3.830 ( -4.249 -1.398 -1.589) 4.747 3.887 ( 3.351 -2.088 -2.585) 4.719 3.907 ( 1.131 -4.036 1.786) 4.557 4.030 ( -6.380 -2.719 -1.945) 7.203 4.067 ( 2.161 -4.469 -0.091) 4.965 4.118 ( -4.244 -6.428 -2.698) 8.162 4.239 ( 7.294 4.790 -4.080) 9.633 4.449 ( 6.251 -0.614 7.063) 9.452 4.502 ( -0.124 0.568 -4.536) 4.574 4.533 ( 5.887 -0.580 6.724) 8.956 4.665 ( -0.891 2.119 4.776) 5.300 4.721 ( -0.757 -2.488 0.925) 2.760 4.812 ( -1.181 1.864 -0.302) 2.227 4.844 ( 1.019 0.512 3.693) 3.865 4.887 ( 1.971 -1.346 -3.134) 3.940 5.015 ( 2.509 2.742 0.453) 3.744 5.098 ( 2.350 -1.009 -2.646) 3.680 5.114 ( 0.903 -2.873 4.151) 5.128 5.170 ( 2.395 -0.537 -3.513) 4.285 5.223 ( 0.887 -3.450 -0.528) 3.601 5.372 ( -1.007 4.380 3.525) 5.711 5.476 ( 6.528 1.615 -2.468) 7.163 5.489 ( -1.238 -1.843 -0.747) 2.343 5.562 ( 3.201 -1.794 -2.372) 4.369 5.650 ( 0.905 2.328 4.246) 4.926 5.703 ( 0.375 1.229 -0.046) 1.286 5.748 ( 1.584 -1.920 -3.329) 4.157 5.819 ( 3.763 0.201 -0.911) 3.877 5.835 ( 0.490 0.627 6.320) 6.370 5.925 ( 0.078 -1.819 -1.855) 2.599 6.063 ( 4.547 2.310 -1.030) 5.204 6.137 ( 2.781 -0.077 -1.558) 3.189 6.302 ( 5.934 0.907 5.749) 8.312 6.328 ( 7.763 0.407 0.147) 7.775 6.451 ( 9.036 2.828 -0.581) 9.486 6.577 ( 6.507 -2.018 -4.096) 7.949 6.665 ( 2.519 0.317 2.916) 3.866 6.720 ( 1.172 -1.325 -5.131) 5.428 7.069 ( 8.001 -1.701 -0.020) 8.180 7.177 ( 5.552 -4.023 -6.144) 9.206 7.257 ( 9.783 -2.492 -0.052) 10.096 7.329 ( 4.502 -5.938 -0.154) 7.453 7.498 ( 4.775 6.520 -2.745) 8.535 7.626 ( 4.475 4.261 5.896) 8.541 7.658 ( 6.865 4.535 -3.124) 8.801 7.759 ( 6.549 -3.884 -1.867) 7.840 7.989 ( 10.132 3.401 0.968) 10.732 8.057 ( 6.651 4.176 -1.663) 8.028 8.141 ( 11.433 0.097 -2.652) 11.737 8.247 ( 7.454 4.925 0.864) 8.976 8.308 ( 0.655 -2.787 5.158) 5.899 8.376 ( 5.037 -0.947 1.853) 5.450 8.404 ( 7.749 1.991 0.703) 8.031 8.509 ( 3.503 0.435 -1.335) 3.774 8.654 ( -0.585 -0.138 4.572) 4.611 8.798 ( 4.284 -6.023 -1.915) 7.635 8.879 ( 5.620 -2.556 4.893) 7.878 8.940 ( 5.687 -4.759 -0.709) 7.450 9.135 ( 3.353 0.615 1.625) 3.776 9.151 ( -1.656 -2.111 0.617) 2.753 9.297 ( -2.765 0.655 -0.052) 2.842 9.343 ( 3.166 3.048 -2.308) 4.964 9.407 ( -1.657 0.400 0.616) 1.813 9.426 ( -2.494 3.469 -2.934) 5.183 9.632 ( -5.092 -1.011 -1.649) 5.447 9.670 ( -8.870 0.494 1.065) 8.947 9.776 ( 1.097 2.405 2.942) 3.955 9.870 ( -1.487 -1.085 -3.723) 4.153 9.944 ( 0.236 1.971 -1.598) 2.548 10.046 ( -2.996 5.368 -5.148) 8.018 10.141 ( -5.199 -3.695 1.812) 6.631 10.184 ( -3.554 -2.300 0.274) 4.242 10.257 ( -6.269 -2.777 -6.348) 9.344 10.309 ( 1.956 -1.524 0.168) 2.485 10.378 ( -0.963 2.910 5.839) 6.595 10.425 ( 0.386 0.327 2.226) 2.283 10.482 ( -6.090 1.139 4.378) 7.586 10.594 ( -6.260 -1.995 0.309) 6.577 10.775 ( -1.915 0.877 0.524) 2.171 10.845 ( -2.158 -1.635 -7.190) 7.682 11.165 ( -4.750 1.238 -0.599) 4.945 11.262 ( -6.940 5.472 1.366) 8.943 11.331 ( -1.820 -5.156 2.277) 5.923 11.630 ( -5.078 -11.273 -2.730) 12.662 12.048 ( -2.091 8.555 -0.289) 8.811 12.147 ( -7.997 4.456 0.171) 9.156 12.368 ( 0.430 -5.010 -3.061) 5.887 12.431 ( 0.690 -5.866 -2.343) 6.354 12.663 ( 5.248 6.889 -3.974) 9.529 12.880 ( -1.737 -1.770 6.140) 6.622 13.218 ( -10.141 0.923 6.647) 12.161 13.239 ( -10.375 0.019 -1.564) 10.493 13.693 ( -1.304 0.257 -0.434) 1.399 13.704 ( -1.852 -0.100 0.580) 1.943 13.799 ( -1.019 0.591 1.637) 2.017 13.809 ( -1.356 0.213 -0.715) 1.548 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -3.619 2.887 -3.533) 5.823 1.159 ( -8.716 3.692 5.261) 10.830 1.386 ( -1.140 -6.781 -3.027) 7.513 1.401 ( -2.531 -5.642 2.399) 6.633 2.065 ( 12.022 3.728 -0.707) 12.606 2.218 ( -2.264 -1.358 -1.754) 3.170 2.391 ( -3.351 0.495 0.767) 3.473 2.409 ( 3.856 -2.610 -1.201) 4.809 2.421 ( 1.546 -3.671 1.941) 4.431 2.491 ( 4.401 -0.717 5.559) 7.126 2.563 ( 2.736 -1.194 0.923) 3.124 2.635 ( 4.514 5.667 -1.371) 7.374 2.728 ( -7.923 -3.111 0.201) 8.514 2.869 ( 6.225 9.065 -4.484) 11.875 2.898 ( -8.268 5.566 -1.929) 10.152 2.991 ( 3.087 0.306 -3.363) 4.575 3.037 ( 0.903 -0.474 2.616) 2.807 3.090 ( -7.879 7.562 3.211) 11.383 3.237 ( -0.523 0.442 0.145) 0.700 3.323 ( -7.608 -1.033 2.848) 8.189 3.450 ( 0.891 1.174 -3.014) 3.355 3.502 ( -0.842 1.148 0.371) 1.471 3.630 ( 0.011 0.503 2.833) 2.877 3.671 ( -0.373 -0.667 -4.624) 4.687 3.785 ( 1.660 -5.432 -2.617) 6.254 3.887 ( -4.125 -6.878 -2.495) 8.399 3.910 ( 1.117 -2.543 4.669) 5.433 3.969 ( -3.957 -4.674 0.926) 6.194 4.079 ( 4.037 0.521 -4.889) 6.362 4.118 ( 1.680 -1.831 0.245) 2.497 4.369 ( 3.624 1.270 -2.904) 4.815 4.455 ( -4.290 0.062 1.526) 4.554 4.572 ( 3.261 1.426 1.955) 4.061 4.628 ( -0.287 1.244 3.470) 3.697 4.670 ( 5.628 2.339 7.216) 9.445 4.711 ( 2.552 0.344 3.709) 4.516 4.790 ( -1.408 3.142 -3.423) 4.856 4.835 ( -4.737 -0.769 -0.881) 4.879 4.949 ( 5.120 -1.063 -6.396) 8.262 5.033 ( -1.787 1.674 1.567) 2.907 5.110 ( 0.788 -1.883 1.655) 2.628 5.137 ( 0.181 -4.638 -1.469) 4.868 5.202 ( 1.583 -0.966 -3.130) 3.638 5.235 ( -0.777 -1.365 2.177) 2.684 5.390 ( 2.609 1.989 5.212) 6.159 5.444 ( -2.351 -0.615 -2.229) 3.297 5.572 ( 2.347 -0.321 -3.514) 4.238 5.592 ( -0.026 -1.517 0.421) 1.574 5.669 ( 1.025 2.832 1.648) 3.433 5.692 ( -1.032 1.709 0.398) 2.036 5.787 ( 2.484 -0.422 -5.136) 5.720 5.828 ( -1.283 0.351 5.402) 5.564 5.889 ( 2.387 -1.283 0.527) 2.760 5.918 ( -0.723 -1.864 -1.385) 2.433 6.139 ( 2.696 1.923 -0.466) 3.344 6.166 ( 0.061 0.981 -0.659) 1.183 6.399 ( 3.288 -0.399 7.341) 8.053 6.424 ( 1.494 -0.904 -4.645) 4.962 6.592 ( 4.595 2.215 1.325) 5.270 6.637 ( 0.162 0.414 -3.632) 3.659 6.714 ( 1.905 -0.057 3.968) 4.402 6.735 ( 0.053 -0.649 -4.349) 4.397 7.195 ( 4.199 -2.455 1.531) 5.099 7.239 ( 0.254 -4.158 -3.791) 5.632 7.411 ( 3.436 -0.275 2.107) 4.040 7.415 ( 3.565 0.182 -3.329) 4.881 7.591 ( 4.722 3.144 -1.741) 5.934 7.658 ( -1.107 2.974 2.441) 4.004 7.791 ( 5.160 0.918 -1.528) 5.459 7.841 ( 0.710 -3.549 -0.240) 3.627 8.155 ( 4.447 3.321 2.811) 6.222 8.180 ( 5.351 3.980 -2.133) 7.001 8.270 ( 1.956 0.879 1.019) 2.374 8.326 ( -0.656 3.234 -0.895) 3.419 8.399 ( 8.332 -3.089 1.574) 9.024 8.452 ( 2.149 -1.558 0.329) 2.675 8.541 ( 0.648 1.326 3.188) 3.513 8.588 ( 0.911 2.468 -0.916) 2.786 8.624 ( 5.543 0.503 0.963) 5.648 8.818 ( -7.137 -5.233 -3.187) 9.406 8.972 ( 6.879 -2.329 0.937) 7.323 9.073 ( 3.339 -2.836 2.122) 4.867 9.140 ( 3.537 0.708 3.084) 4.746 9.193 ( -2.404 1.319 0.638) 2.815 9.249 ( 3.674 -0.886 1.267) 3.986 9.310 ( -8.303 -0.981 -2.444) 8.711 9.336 ( 0.370 0.430 -2.795) 2.852 9.459 ( 3.474 0.245 -3.956) 5.271 9.485 ( -7.684 -3.570 -0.511) 8.488 9.539 ( -4.889 -0.331 3.358) 5.940 9.803 ( 1.829 3.615 3.836) 5.579 9.860 ( -2.682 4.388 -2.791) 5.851 9.950 ( 2.419 2.420 0.278) 3.433 9.996 ( -1.334 3.141 -5.801) 6.730 10.058 ( -1.051 -2.816 3.517) 4.626 10.126 ( -5.487 -3.212 -4.782) 7.955 10.208 ( 4.103 1.399 -1.596) 4.620 10.315 ( -5.187 1.445 3.703) 6.535 10.346 ( 1.244 0.530 -1.165) 1.785 10.403 ( -1.832 0.852 3.589) 4.118 10.462 ( 1.028 0.575 2.353) 2.631 10.483 ( -2.527 1.047 -0.904) 2.881 10.765 ( 0.769 -1.331 3.553) 3.872 10.799 ( -2.114 -2.081 -5.944) 6.643 11.104 ( -0.884 2.312 -1.452) 2.869 11.139 ( -4.356 4.082 1.658) 6.196 11.346 ( 3.699 -7.602 3.128) 9.014 11.480 ( -8.424 -10.794 -3.542) 14.143 12.015 ( -0.681 8.397 -0.185) 8.427 12.034 ( -2.847 8.181 0.566) 8.681 12.396 ( 2.101 -8.666 -2.576) 9.281 12.433 ( -0.999 -9.427 0.646) 9.502 12.780 ( 5.837 5.473 -5.038) 9.456 12.860 ( -1.337 2.951 4.233) 5.330 13.051 ( -5.140 0.262 2.696) 5.810 13.066 ( -5.721 0.144 0.670) 5.762 13.676 ( -0.315 0.054 -0.598) 0.678 13.679 ( -0.685 -0.052 0.668) 0.958 13.785 ( -0.297 0.458 1.356) 1.462 13.789 ( -0.601 0.323 -1.094) 1.289 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 -0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 1.936 ( -0.000 -0.000 0.000) 0.000 1.965 ( 0.000 0.000 -0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.235 ( -0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 -0.000 0.000) 0.000 2.758 ( -0.000 0.000 0.000) 0.000 2.854 ( -0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 -0.000) 0.000 3.046 ( -0.000 0.000 0.000) 0.000 3.198 ( 0.000 -0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.390 ( -0.000 -0.000 0.000) 0.000 3.390 ( -0.000 0.000 0.000) 0.000 3.398 ( 0.000 -0.000 -0.000) 0.000 3.398 ( 0.000 0.000 -0.000) 0.000 3.719 ( -0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.814 ( -0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 -0.000 -0.000) 0.000 3.981 ( 0.000 0.000 -0.000) 0.000 4.001 ( -0.000 -0.000 0.000) 0.000 4.001 ( -0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.349 ( -0.000 0.000 0.000) 0.000 4.460 ( -0.000 -0.000 0.000) 0.000 4.460 ( -0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.948 ( -0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.068 ( -0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.099 ( -0.000 -0.000 -0.000) 0.000 5.099 ( -0.000 0.000 0.000) 0.000 5.361 ( -0.000 -0.000 0.000) 0.000 5.361 ( -0.000 0.000 0.000) 0.000 5.364 ( 0.000 -0.000 -0.000) 0.000 5.364 ( 0.000 0.000 -0.000) 0.000 5.648 ( -0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 -0.000) 0.000 5.816 ( -0.000 0.000 0.000) 0.000 5.817 ( 0.000 -0.000 -0.000) 0.000 5.817 ( -0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 5.974 ( -0.000 0.000 -0.000) 0.000 5.974 ( -0.000 0.000 0.000) 0.000 5.985 ( 0.000 -0.000 -0.000) 0.000 5.985 ( 0.000 -0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.700 ( -0.000 0.000 0.000) 0.000 6.741 ( 0.000 -0.000 0.000) 0.000 6.741 ( -0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 6.997 ( -0.000 0.000 0.000) 0.000 7.126 ( -0.000 0.000 0.000) 0.000 7.126 ( -0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.516 ( -0.000 0.000 0.000) 0.000 7.516 ( -0.000 0.000 0.000) 0.000 7.980 ( -0.000 0.000 0.000) 0.000 7.980 ( -0.000 0.000 0.000) 0.000 8.266 ( 0.000 -0.000 0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 8.305 ( -0.000 -0.000 0.000) 0.000 8.305 ( -0.000 0.000 0.000) 0.000 8.475 ( -0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.829 ( -0.000 0.000 -0.000) 0.000 8.829 ( -0.000 -0.000 0.000) 0.000 8.861 ( -0.000 0.000 -0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 9.310 ( 0.000 0.000 0.000) 0.000 9.310 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.490 ( -0.000 0.000 0.000) 0.000 9.822 ( -0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.989 ( -0.000 0.000 0.000) 0.000 9.989 ( 0.000 0.000 0.000) 0.000 10.041 ( 0.000 0.000 -0.000) 0.000 10.041 ( -0.000 0.000 -0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.300 ( -0.000 0.000 0.000) 0.000 10.475 ( 0.000 -0.000 0.000) 0.000 10.475 ( -0.000 0.000 0.000) 0.000 10.493 ( -0.000 -0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 10.886 ( 0.000 0.000 0.000) 0.000 10.886 ( -0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.580 ( -0.000 0.000 0.000) 0.000 11.580 ( -0.000 0.000 0.000) 0.000 12.232 ( -0.000 -0.000 0.000) 0.000 12.232 ( -0.000 0.000 0.000) 0.000 12.362 ( -0.000 -0.000 0.000) 0.000 12.362 ( -0.000 0.000 0.000) 0.000 13.002 ( -0.000 0.000 0.000) 0.000 13.002 ( -0.000 0.000 0.000) 0.000 13.613 ( -0.000 0.000 0.000) 0.000 13.613 ( -0.000 0.000 0.000) 0.000 13.841 ( -0.000 0.000 0.000) 0.000 13.841 ( -0.000 0.000 0.000) 0.000 13.935 ( -0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 159 (81/84) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 4.073 -1.500 -0.830) 4.419 1.362 ( 4.073 1.500 -0.830) 4.419 1.836 ( -4.469 -4.887 -0.469) 6.639 1.836 ( -4.469 4.887 -0.469) 6.639 1.894 ( -0.777 -6.194 6.316) 8.880 1.894 ( -0.777 6.194 6.316) 8.880 2.048 ( 2.961 -9.548 -4.717) 11.054 2.048 ( 2.961 9.548 -4.717) 11.054 2.262 ( 4.180 -4.006 -2.577) 6.337 2.262 ( 4.180 4.006 -2.577) 6.337 2.659 ( -5.541 -6.748 3.485) 9.401 2.659 ( -5.541 6.748 3.485) 9.401 2.875 ( -2.277 -8.052 0.885) 8.415 2.875 ( -2.277 8.052 0.885) 8.415 3.100 ( 2.403 -5.600 -2.269) 6.503 3.100 ( 2.403 5.600 -2.269) 6.503 3.196 ( -0.137 -8.151 -0.143) 8.154 3.196 ( -0.137 8.151 -0.143) 8.154 3.381 ( 4.517 -4.615 -1.064) 6.545 3.381 ( 4.517 4.615 -1.064) 6.545 3.471 ( 3.076 -4.944 -3.082) 6.588 3.471 ( 3.076 4.944 -3.082) 6.588 3.609 ( -6.131 -0.531 3.496) 7.078 3.609 ( -6.131 0.531 3.496) 7.078 3.832 ( 0.037 -5.247 4.722) 7.059 3.832 ( 0.037 5.247 4.722) 7.059 3.978 ( 2.552 -0.847 -0.269) 2.702 3.978 ( 2.552 0.847 -0.269) 2.702 4.096 ( 4.781 -8.194 -3.196) 10.011 4.096 ( 4.781 8.194 -3.196) 10.011 4.294 ( -5.569 -1.832 -2.483) 6.367 4.294 ( -5.569 1.832 -2.483) 6.367 4.436 ( 0.791 -6.137 2.509) 6.678 4.436 ( 0.791 6.137 2.509) 6.678 4.635 ( 6.656 -0.974 1.891) 6.988 4.635 ( 6.656 0.974 1.891) 6.988 4.769 ( -1.592 -2.436 -0.879) 3.040 4.769 ( -1.592 2.436 -0.879) 3.040 4.971 ( 1.462 -2.536 1.479) 3.280 4.971 ( 1.462 2.536 1.479) 3.280 5.065 ( 1.196 -5.150 -1.236) 5.429 5.065 ( 1.196 5.150 -1.236) 5.429 5.118 ( -0.573 -0.706 -2.677) 2.827 5.118 ( -0.573 0.706 -2.677) 2.827 5.303 ( 0.475 -1.195 1.609) 2.060 5.303 ( 0.475 1.195 1.609) 2.060 5.455 ( 4.074 -0.805 -1.700) 4.488 5.455 ( 4.074 0.805 -1.700) 4.488 5.649 ( -0.126 -2.292 -1.043) 2.521 5.649 ( -0.126 2.292 -1.043) 2.521 5.751 ( -3.502 -4.834 3.600) 6.971 5.751 ( -3.502 4.834 3.600) 6.971 5.830 ( 0.912 -3.098 0.295) 3.243 5.830 ( 0.912 3.098 0.295) 3.243 5.950 ( 3.576 -1.623 -0.230) 3.934 5.950 ( 3.576 1.623 -0.230) 3.934 6.017 ( 4.400 -1.722 2.725) 5.454 6.017 ( 4.400 1.722 2.725) 5.454 6.083 ( 9.684 -0.511 -2.153) 9.934 6.083 ( 9.684 0.511 -2.153) 9.934 6.672 ( -1.259 -2.080 -1.896) 3.083 6.672 ( -1.259 2.080 -1.896) 3.083 6.791 ( 4.120 -4.340 1.357) 6.136 6.791 ( 4.120 4.340 1.357) 6.136 7.033 ( 3.281 -2.058 -1.935) 4.330 7.033 ( 3.281 2.058 -1.935) 4.330 7.249 ( 9.744 -1.875 0.595) 9.940 7.249 ( 9.744 1.875 0.595) 9.940 7.465 ( 7.257 -2.217 -0.138) 7.589 7.465 ( 7.257 2.217 -0.138) 7.589 7.596 ( 7.753 -1.699 -2.787) 8.412 7.596 ( 7.753 1.699 -2.787) 8.412 8.029 ( 4.831 -1.428 1.177) 5.173 8.029 ( 4.831 1.428 1.177) 5.173 8.201 ( -2.896 -6.324 -1.439) 7.103 8.201 ( -2.896 6.324 -1.439) 7.103 8.354 ( 1.881 -4.797 3.246) 6.089 8.354 ( 1.881 4.797 3.246) 6.089 8.514 ( 3.401 -1.676 -0.318) 3.805 8.514 ( 3.401 1.676 -0.318) 3.805 8.802 ( -0.886 -1.893 -0.101) 2.093 8.802 ( -0.886 1.893 -0.101) 2.093 8.943 ( 6.115 -0.953 2.508) 6.677 8.943 ( 6.115 0.953 2.508) 6.677 9.318 ( 0.697 -0.447 -2.248) 2.395 9.318 ( 0.697 0.447 -2.248) 2.395 9.486 ( -0.433 -1.523 0.811) 1.779 9.486 ( -0.433 1.523 0.811) 1.779 9.811 ( -1.031 -1.342 -0.765) 1.857 9.811 ( -1.031 1.342 -0.765) 1.857 9.951 ( -3.497 -2.221 -1.621) 4.449 9.951 ( -3.497 2.221 -1.621) 4.449 10.038 ( -0.481 -4.073 0.533) 4.136 10.038 ( -0.481 4.073 0.533) 4.136 10.276 ( -2.235 -1.216 2.303) 3.432 10.276 ( -2.235 1.216 2.303) 3.432 10.421 ( -3.874 -1.449 -2.331) 4.748 10.421 ( -3.874 1.449 -2.331) 4.748 10.496 ( -0.898 -3.241 1.274) 3.597 10.496 ( -0.898 3.241 1.274) 3.597 10.722 ( -4.529 -1.726 1.624) 5.111 10.722 ( -4.529 1.726 1.624) 5.111 10.893 ( -0.066 -1.819 -4.068) 4.457 10.893 ( -0.066 1.819 -4.068) 4.457 11.407 ( -3.779 -1.606 1.700) 4.444 11.407 ( -3.779 1.606 1.700) 4.444 11.572 ( -0.978 -3.773 -0.241) 3.905 11.572 ( -0.978 3.773 -0.241) 3.905 12.244 ( 0.847 -3.404 -1.026) 3.655 12.244 ( 0.847 3.404 -1.026) 3.655 12.353 ( -0.717 -0.642 -1.799) 2.040 12.353 ( -0.717 0.642 -1.799) 2.040 12.943 ( -5.274 -4.157 1.144) 6.812 12.943 ( -5.274 4.157 1.144) 6.812 13.575 ( -4.071 -0.369 0.466) 4.114 13.575 ( -4.071 0.369 0.466) 4.114 13.817 ( -2.616 -1.665 -0.331) 3.119 13.817 ( -2.616 1.665 -0.331) 3.119 13.890 ( -3.286 -1.333 1.698) 3.932 13.890 ( -3.286 1.333 1.698) 3.932 ======================= Grid point 161 (82/84) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -3.138 -0.716 0.108) 3.221 1.383 ( -3.138 0.716 0.108) 3.221 1.752 ( -6.673 -4.275 3.046) 8.490 1.752 ( -6.673 4.275 3.046) 8.490 1.898 ( 1.768 -5.751 -6.412) 8.793 1.898 ( 1.768 5.751 -6.412) 8.793 2.077 ( 4.182 -4.137 1.606) 6.098 2.077 ( 4.182 4.137 1.606) 6.098 2.420 ( 9.009 -7.342 -0.040) 11.622 2.420 ( 9.009 7.342 -0.040) 11.622 2.599 ( 0.183 -4.899 6.066) 7.800 2.599 ( 0.183 4.899 6.066) 7.800 2.786 ( -4.083 -6.077 -1.671) 7.509 2.786 ( -4.083 6.077 -1.671) 7.509 3.019 ( -7.287 -4.649 -2.872) 9.108 3.019 ( -7.287 4.649 -2.872) 9.108 3.237 ( -2.484 -2.507 -0.263) 3.539 3.237 ( -2.484 2.507 -0.263) 3.539 3.389 ( 0.212 -1.656 -0.167) 1.678 3.389 ( 0.212 1.656 -0.167) 1.678 3.546 ( 3.254 -4.335 3.346) 6.370 3.546 ( 3.254 4.335 3.346) 6.370 3.657 ( 8.691 -2.347 -5.283) 10.438 3.657 ( 8.691 2.347 -5.283) 10.438 3.860 ( 1.541 -6.486 4.091) 7.822 3.860 ( 1.541 6.486 4.091) 7.822 3.949 ( -6.066 -0.477 1.383) 6.240 3.949 ( -6.066 0.477 1.383) 6.240 4.116 ( -3.599 -3.653 -2.318) 5.628 4.116 ( -3.599 3.653 -2.318) 5.628 4.271 ( 4.778 -5.660 -6.806) 10.059 4.271 ( 4.778 5.660 -6.806) 10.059 4.432 ( -0.790 -2.927 6.189) 6.892 4.432 ( -0.790 2.927 6.189) 6.892 4.720 ( 0.029 -1.394 -1.059) 1.751 4.720 ( 0.029 1.394 -1.059) 1.751 4.772 ( 3.963 -3.460 0.617) 5.297 4.772 ( 3.963 3.460 0.617) 5.297 4.971 ( -1.073 -2.583 2.504) 3.755 4.971 ( -1.073 2.583 2.504) 3.755 5.090 ( -0.245 -1.659 -0.422) 1.730 5.090 ( -0.245 1.659 -0.422) 1.730 5.122 ( 2.579 -3.241 0.403) 4.161 5.122 ( 2.579 3.241 0.403) 4.161 5.384 ( 6.440 -1.723 -3.968) 7.758 5.384 ( 6.440 1.723 -3.968) 7.758 5.492 ( -1.198 -1.890 2.787) 3.574 5.492 ( -1.198 1.890 2.787) 3.574 5.652 ( 1.934 -1.252 0.728) 2.416 5.652 ( 1.934 1.252 0.728) 2.416 5.734 ( 0.875 -2.982 0.504) 3.148 5.734 ( 0.875 2.982 0.504) 3.148 5.858 ( 1.480 -3.040 1.134) 3.566 5.858 ( 1.480 3.040 1.134) 3.566 6.031 ( 4.339 -2.630 -1.304) 5.239 6.031 ( 4.339 2.630 -1.304) 5.239 6.158 ( 8.708 -1.161 4.801) 10.012 6.158 ( 8.708 1.161 4.801) 10.012 6.315 ( 11.656 -3.231 -3.830) 12.687 6.315 ( 11.656 3.231 -3.830) 12.687 6.663 ( 0.403 -2.319 -2.766) 3.632 6.663 ( 0.403 2.319 -2.766) 3.632 6.916 ( 8.265 -4.317 1.045) 9.383 6.916 ( 8.265 4.317 1.045) 9.383 7.115 ( 4.806 -3.293 -1.958) 6.146 7.115 ( 4.806 3.293 -1.958) 6.146 7.458 ( 10.112 -3.051 -0.177) 10.564 7.458 ( 10.112 3.051 -0.177) 10.564 7.613 ( 6.078 -2.801 -1.966) 6.975 7.613 ( 6.078 2.801 -1.966) 6.975 7.813 ( 12.430 -1.441 -2.603) 12.781 7.813 ( 12.430 1.441 -2.603) 12.781 8.153 ( 4.106 -6.773 0.838) 7.965 8.153 ( 4.106 6.773 0.838) 7.965 8.204 ( 5.909 -3.011 0.986) 6.705 8.204 ( 5.909 3.011 0.986) 6.705 8.388 ( 2.100 -5.580 3.804) 7.072 8.388 ( 2.100 5.580 3.804) 7.072 8.593 ( 4.313 -2.825 -1.109) 5.274 8.593 ( 4.313 2.825 -1.109) 5.274 8.802 ( 0.978 -1.035 2.449) 2.833 8.802 ( 0.978 1.035 2.449) 2.833 9.077 ( 5.861 -1.390 2.689) 6.597 9.077 ( 5.861 1.390 2.689) 6.597 9.333 ( 0.860 -1.576 -3.730) 4.140 9.333 ( 0.860 1.576 -3.730) 4.140 9.470 ( -1.294 -2.338 0.865) 2.809 9.470 ( -1.294 2.338 0.865) 2.809 9.775 ( -3.116 -1.374 -0.941) 3.533 9.775 ( -3.116 1.374 -0.941) 3.533 9.863 ( -4.184 -4.083 -1.216) 5.972 9.863 ( -4.184 4.083 -1.216) 5.972 10.024 ( -0.663 -6.360 -0.276) 6.400 10.024 ( -0.663 6.360 -0.276) 6.400 10.220 ( -3.121 -2.799 2.168) 4.720 10.220 ( -3.121 2.799 2.168) 4.720 10.331 ( -4.619 -1.536 -5.307) 7.201 10.331 ( -4.619 1.536 -5.307) 7.201 10.460 ( -2.242 -2.847 3.631) 5.130 10.460 ( -2.242 2.847 3.631) 5.130 10.622 ( -5.017 -2.803 2.235) 6.166 10.622 ( -5.017 2.803 2.235) 6.166 10.866 ( -2.402 -1.364 -4.665) 5.421 10.866 ( -2.402 1.364 -4.665) 5.421 11.313 ( -5.023 -2.779 2.039) 6.092 11.313 ( -5.023 2.779 2.039) 6.092 11.526 ( -3.804 -6.806 -0.401) 7.807 11.526 ( -3.804 6.806 -0.401) 7.807 12.245 ( -0.943 -4.460 -0.621) 4.601 12.245 ( -0.943 4.460 -0.621) 4.601 12.336 ( -1.187 -1.469 -3.444) 3.928 12.336 ( -1.187 1.469 -3.444) 3.928 12.832 ( -4.310 -7.368 1.407) 8.651 12.832 ( -4.310 7.368 1.407) 8.651 13.437 ( -9.215 -0.616 2.056) 9.462 13.437 ( -9.215 0.616 2.056) 9.462 13.748 ( -3.202 -0.947 0.005) 3.340 13.748 ( -3.202 0.947 0.005) 3.340 13.840 ( -1.803 -0.728 1.185) 2.277 13.840 ( -1.803 0.728 1.185) 2.277 ======================= Grid point 163 (83/84) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -4.053 -5.021 -0.570) 6.478 1.293 ( -4.053 5.021 -0.570) 6.478 1.498 ( -14.926 -3.413 1.617) 15.396 1.498 ( -14.926 3.413 1.617) 15.396 2.015 ( 7.888 -8.532 -5.424) 12.823 2.015 ( 7.888 8.532 -5.424) 12.823 2.225 ( 8.043 -1.771 3.696) 9.027 2.225 ( 8.043 1.771 3.696) 9.027 2.523 ( 1.205 -8.303 3.691) 9.166 2.523 ( 1.205 8.303 3.691) 9.166 2.662 ( 2.172 -2.956 1.936) 4.148 2.662 ( 2.172 2.956 1.936) 4.148 2.728 ( -2.832 -1.597 -0.264) 3.262 2.728 ( -2.832 1.597 -0.264) 3.262 2.937 ( 3.658 -10.166 -1.883) 10.967 2.937 ( 3.658 10.166 -1.883) 10.967 3.115 ( -4.894 -4.216 -2.563) 6.950 3.115 ( -4.894 4.216 -2.563) 6.950 3.415 ( -3.827 -6.578 -0.212) 7.613 3.415 ( -3.827 6.578 -0.212) 7.613 3.562 ( -0.886 -1.718 1.249) 2.301 3.562 ( -0.886 1.718 1.249) 2.301 3.733 ( -4.204 -2.423 -1.345) 5.035 3.733 ( -4.204 2.423 -1.345) 5.035 3.826 ( -2.489 -4.372 -3.206) 5.965 3.826 ( -2.489 4.372 -3.206) 5.965 3.877 ( 0.349 -5.415 5.278) 7.570 3.877 ( 0.349 5.415 5.278) 7.570 4.039 ( -1.572 -1.403 -4.667) 5.121 4.039 ( -1.572 1.403 -4.667) 5.121 4.376 ( 4.600 -7.082 -6.445) 10.623 4.376 ( 4.600 7.082 -6.445) 10.623 4.500 ( 7.222 -1.679 6.756) 10.031 4.500 ( 7.222 1.679 6.756) 10.031 4.710 ( -1.561 -1.415 4.963) 5.392 4.710 ( -1.561 1.415 4.963) 5.392 4.820 ( 0.896 -0.632 -2.503) 2.732 4.820 ( 0.896 0.632 -2.503) 2.732 4.968 ( 0.876 -6.592 3.022) 7.304 4.968 ( 0.876 6.592 3.022) 7.304 5.097 ( 0.383 -2.991 1.838) 3.531 5.097 ( 0.383 2.991 1.838) 3.531 5.167 ( 2.143 -0.636 -2.776) 3.564 5.167 ( 2.143 0.636 -2.776) 3.564 5.443 ( -1.823 -2.661 3.682) 4.895 5.443 ( -1.823 2.661 3.682) 4.895 5.520 ( 5.007 -2.386 -5.542) 7.841 5.520 ( 5.007 2.386 -5.542) 7.841 5.693 ( 0.915 -2.096 2.070) 3.084 5.693 ( 0.915 2.096 2.070) 3.084 5.768 ( 2.691 -3.418 -0.778) 4.419 5.768 ( 2.691 3.418 -0.778) 4.419 5.879 ( 0.301 -2.512 1.244) 2.819 5.879 ( 0.301 2.512 1.244) 2.819 6.116 ( 3.782 -2.188 -1.253) 4.546 6.116 ( 3.782 2.188 -1.253) 4.546 6.323 ( 6.274 -0.931 4.724) 7.909 6.323 ( 6.274 0.931 4.724) 7.909 6.519 ( 8.138 -3.434 -4.171) 9.768 6.519 ( 8.138 3.434 -4.171) 9.768 6.686 ( 1.775 -1.659 -1.615) 2.918 6.686 ( 1.775 1.659 -1.615) 2.918 7.094 ( 7.324 -3.524 -0.008) 8.128 7.094 ( 7.324 3.524 -0.008) 8.128 7.239 ( 7.977 -1.850 -1.496) 8.325 7.239 ( 7.977 1.850 -1.496) 8.325 7.634 ( 6.031 -5.848 -5.489) 10.035 7.634 ( 6.031 5.848 -5.489) 10.035 7.706 ( 4.024 -2.089 2.292) 5.080 7.706 ( 4.023 2.089 2.292) 5.080 8.058 ( 11.415 -2.728 0.992) 11.779 8.058 ( 11.415 2.728 0.992) 11.779 8.214 ( 2.938 -5.286 -1.029) 6.134 8.214 ( 2.938 5.286 -1.029) 6.134 8.344 ( 5.023 -2.763 0.484) 5.753 8.344 ( 5.023 2.763 0.484) 5.753 8.474 ( 6.026 -4.054 3.207) 7.939 8.474 ( 6.026 4.054 3.207) 7.939 8.688 ( 4.273 -3.995 -0.171) 5.852 8.688 ( 4.273 3.995 -0.171) 5.852 8.855 ( 4.727 -1.525 3.296) 5.961 8.855 ( 4.727 1.525 3.296) 5.961 9.139 ( 0.547 -0.434 1.139) 1.336 9.139 ( 0.547 0.434 1.139) 1.336 9.336 ( -1.756 -2.762 0.515) 3.313 9.336 ( -1.756 2.762 0.515) 3.313 9.441 ( -1.110 -2.323 -3.344) 4.220 9.441 ( -1.110 2.323 -3.344) 4.220 9.654 ( -8.043 -2.187 -1.461) 8.462 9.654 ( -8.043 2.187 -1.461) 8.462 9.835 ( 1.319 -2.718 2.631) 4.006 9.835 ( 1.319 2.718 2.631) 4.006 10.012 ( -0.776 -4.237 -0.164) 4.311 10.012 ( -0.776 4.237 -0.164) 4.311 10.151 ( -3.935 -1.337 -7.075) 8.206 10.151 ( -3.935 1.337 -7.075) 8.206 10.256 ( -1.460 -3.397 -1.473) 3.980 10.256 ( -1.460 3.397 -1.473) 3.980 10.420 ( -1.851 -0.922 4.968) 5.381 10.420 ( -1.851 0.922 4.968) 5.381 10.532 ( -3.596 -3.595 3.535) 6.193 10.532 ( -3.596 3.595 3.535) 6.193 10.806 ( -3.021 -1.964 -4.134) 5.484 10.806 ( -3.021 1.964 -4.134) 5.484 11.222 ( -3.517 -4.429 1.247) 5.792 11.222 ( -3.517 4.429 1.247) 5.792 11.415 ( -6.893 -9.234 -0.358) 11.529 11.415 ( -6.893 9.234 -0.358) 11.529 12.217 ( -1.433 -3.504 -0.657) 3.842 12.217 ( -1.433 3.504 -0.657) 3.842 12.288 ( -3.149 -3.138 -1.719) 4.766 12.288 ( -3.149 3.138 -1.719) 4.766 12.804 ( 1.495 -5.761 -0.827) 6.009 12.804 ( 1.495 5.761 -0.827) 6.009 13.235 ( -9.935 -0.541 3.394) 10.512 13.235 ( -9.935 0.541 3.394) 10.512 13.700 ( -1.658 -0.356 0.072) 1.698 13.700 ( -1.658 0.356 0.072) 1.698 13.809 ( -1.208 -0.277 0.530) 1.348 13.809 ( -1.208 0.277 0.530) 1.348 ======================= Grid point 165 (84/84) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -4.833 -4.140 -2.961) 7.019 1.216 ( -4.833 4.140 -2.961) 7.019 1.283 ( -3.227 -3.468 3.250) 5.744 1.283 ( -3.227 3.468 3.250) 5.744 2.152 ( 4.811 -4.391 -1.807) 6.759 2.152 ( 4.811 4.391 -1.807) 6.759 2.378 ( 4.231 -0.642 2.973) 5.211 2.378 ( 4.231 0.642 2.973) 5.211 2.430 ( -3.604 -2.062 -0.128) 4.154 2.430 ( -3.604 2.062 -0.128) 4.154 2.628 ( -5.314 -4.903 -0.282) 7.236 2.628 ( -5.314 4.903 -0.282) 7.236 2.812 ( 10.313 -9.429 0.239) 13.976 2.812 ( 10.313 9.429 0.239) 13.976 3.018 ( -5.855 -3.257 2.578) 7.179 3.018 ( -5.855 3.257 2.578) 7.179 3.102 ( 6.212 -6.759 -3.117) 9.695 3.102 ( 6.212 6.759 -3.117) 9.695 3.295 ( -3.765 -2.995 -0.029) 4.811 3.295 ( -3.765 2.995 -0.029) 4.811 3.492 ( -2.692 -1.490 -0.553) 3.126 3.492 ( -2.692 1.490 -0.553) 3.126 3.613 ( -6.954 -10.312 -1.342) 12.510 3.613 ( -6.954 10.312 -1.342) 12.510 3.809 ( 0.882 -2.792 2.339) 3.747 3.809 ( 0.882 2.792 2.339) 3.747 3.864 ( -1.351 -2.826 -0.188) 3.138 3.864 ( -1.351 2.826 -0.188) 3.138 4.095 ( 4.534 -1.121 -3.675) 5.943 4.095 ( 4.534 1.121 -3.675) 5.943 4.407 ( -1.559 -2.851 -0.831) 3.354 4.407 ( -1.559 2.851 -0.831) 3.354 4.622 ( 2.335 -2.146 0.955) 3.312 4.622 ( 2.335 2.146 0.955) 3.312 4.717 ( 3.408 -1.164 7.467) 8.291 4.717 ( 3.408 1.164 7.467) 8.291 4.828 ( -0.347 -0.206 -4.034) 4.054 4.828 ( -0.347 0.206 -4.034) 4.054 4.979 ( 0.075 -5.019 1.328) 5.192 4.979 ( 0.075 5.019 1.328) 5.192 5.093 ( -0.775 -1.467 0.373) 1.700 5.093 ( -0.775 1.467 0.373) 1.700 5.208 ( 1.563 -1.118 -2.419) 3.090 5.208 ( 1.563 1.118 -2.419) 3.090 5.423 ( -0.214 -1.333 2.576) 2.909 5.423 ( -0.214 1.333 2.576) 2.909 5.572 ( 0.544 -0.446 -2.886) 2.971 5.572 ( 0.544 0.446 -2.886) 2.971 5.699 ( 0.037 -0.767 0.976) 1.242 5.699 ( 0.037 0.767 0.976) 1.242 5.827 ( 2.493 -3.064 -0.496) 3.982 5.827 ( 2.493 3.064 -0.496) 3.982 5.872 ( -0.884 -2.134 0.738) 2.425 5.872 ( -0.884 2.134 0.738) 2.425 6.172 ( 1.471 -0.778 -0.439) 1.721 6.172 ( 1.471 0.778 -0.439) 1.721 6.402 ( 1.695 -0.814 1.681) 2.522 6.402 ( 1.695 0.814 1.681) 2.522 6.632 ( 2.910 -1.214 -1.640) 3.554 6.632 ( 2.910 1.214 -1.640) 3.554 6.720 ( 1.164 -0.637 -0.291) 1.359 6.720 ( 1.164 0.637 -0.291) 1.359 7.181 ( 1.796 -1.182 -0.294) 2.170 7.181 ( 1.796 1.182 -0.294) 2.170 7.400 ( 5.527 -0.312 -0.590) 5.567 7.400 ( 5.527 0.312 -0.590) 5.567 7.679 ( 0.092 -3.000 -3.066) 4.290 7.679 ( 0.092 3.000 -3.066) 4.290 7.793 ( 2.933 -0.146 1.752) 3.419 7.793 ( 2.933 0.146 1.752) 3.419 8.206 ( 1.593 -1.429 0.161) 2.146 8.206 ( 1.593 1.429 0.161) 2.146 8.325 ( 8.194 -3.856 3.349) 9.655 8.325 ( 8.194 3.856 3.349) 9.655 8.403 ( 0.629 -3.236 -2.714) 4.270 8.403 ( 0.629 3.236 -2.714) 4.270 8.581 ( 4.337 -2.160 0.684) 4.893 8.581 ( 4.337 2.160 0.684) 4.893 8.696 ( -4.153 -5.763 0.090) 7.104 8.696 ( -4.153 5.763 0.090) 7.104 8.988 ( 6.520 -3.710 1.208) 7.598 8.988 ( 6.520 3.710 1.208) 7.598 9.179 ( 3.447 -2.618 3.148) 5.353 9.179 ( 3.447 2.618 3.148) 5.353 9.265 ( -2.580 -2.799 -0.291) 3.818 9.265 ( -2.580 2.799 -0.291) 3.818 9.385 ( -5.935 -3.883 -3.524) 7.919 9.385 ( -5.935 3.883 -3.524) 7.919 9.514 ( -3.506 -2.358 -0.684) 4.280 9.514 ( -3.506 2.358 -0.684) 4.280 9.876 ( 1.307 -3.058 3.589) 4.892 9.876 ( 1.307 3.058 3.589) 4.892 10.001 ( 0.977 -1.625 0.490) 1.959 10.001 ( 0.977 1.625 0.490) 1.959 10.063 ( -4.112 -2.099 -6.610) 8.063 10.063 ( -4.112 2.099 -6.610) 8.063 10.270 ( 1.187 -3.970 -1.160) 4.303 10.270 ( 1.187 3.970 -1.160) 4.303 10.394 ( -0.318 -2.167 3.580) 4.196 10.394 ( -0.318 2.167 3.580) 4.196 10.486 ( -1.165 -1.091 1.609) 2.267 10.486 ( -1.165 1.091 1.609) 2.267 10.758 ( -1.309 -1.141 -1.802) 2.502 10.758 ( -1.309 1.141 -1.802) 2.502 11.188 ( 0.502 -5.794 0.137) 5.818 11.188 ( 0.502 5.794 0.137) 5.818 11.274 ( -5.866 -8.161 0.060) 10.050 11.274 ( -5.866 8.161 0.060) 10.050 12.196 ( -0.458 -2.433 -0.671) 2.565 12.196 ( -0.458 2.433 -0.671) 2.565 12.233 ( -1.667 -3.456 0.100) 3.839 12.233 ( -1.667 3.456 0.100) 3.839 12.867 ( 3.731 -2.408 -2.278) 4.991 12.867 ( 3.731 2.408 -2.278) 4.991 13.062 ( -6.333 -0.599 3.022) 7.042 13.062 ( -6.333 0.599 3.022) 7.042 13.678 ( -0.521 -0.107 0.050) 0.534 13.678 ( -0.521 0.107 0.050) 0.534 13.792 ( -0.453 -0.096 0.136) 0.483 13.792 ( -0.453 0.096 0.136) 0.483 =================== 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 3/25920 10.0 639.287 483.744 366.609 0.000 4.291 0.000 3/25920 20.0 77.499 68.130 47.139 0.000 -1.619 0.000 3/25920 30.0 27.298 25.018 17.799 0.000 -0.987 0.000 3/25920 40.0 14.300 13.296 9.700 0.000 -0.627 0.000 3/25920 50.0 9.132 8.544 6.337 0.000 -0.435 0.000 3/25920 60.0 6.552 6.139 4.608 0.000 -0.324 0.000 3/25920 70.0 5.064 4.738 3.590 0.000 -0.254 0.000 3/25920 80.0 4.117 3.840 2.932 0.000 -0.208 0.000 3/25920 90.0 3.468 3.223 2.477 0.000 -0.175 0.000 3/25920 100.0 3.000 2.775 2.146 0.000 -0.151 0.000 3/25920 110.0 2.646 2.438 1.896 0.000 -0.132 0.000 3/25920 120.0 2.370 2.175 1.700 0.000 -0.118 0.000 3/25920 130.0 2.149 1.965 1.542 0.000 -0.106 0.000 3/25920 140.0 1.967 1.793 1.413 0.000 -0.097 0.000 3/25920 150.0 1.815 1.650 1.304 0.000 -0.089 0.000 3/25920 160.0 1.686 1.529 1.212 0.000 -0.082 0.000 3/25920 170.0 1.575 1.425 1.133 0.000 -0.076 0.000 3/25920 180.0 1.479 1.335 1.064 0.000 -0.071 0.000 3/25920 190.0 1.394 1.256 1.003 0.000 -0.067 0.000 3/25920 200.0 1.319 1.186 0.949 0.000 -0.063 0.000 3/25920 210.0 1.251 1.124 0.901 0.000 -0.060 0.000 3/25920 220.0 1.191 1.068 0.858 0.000 -0.057 0.000 3/25920 230.0 1.136 1.018 0.819 0.000 -0.054 0.000 3/25920 240.0 1.086 0.972 0.783 0.000 -0.052 0.000 3/25920 250.0 1.041 0.931 0.750 0.000 -0.049 0.000 3/25920 260.0 0.999 0.893 0.721 0.000 -0.047 0.000 3/25920 270.0 0.961 0.858 0.693 0.000 -0.045 0.000 3/25920 280.0 0.925 0.825 0.668 0.000 -0.044 0.000 3/25920 290.0 0.892 0.796 0.644 0.000 -0.042 0.000 3/25920 300.0 0.862 0.768 0.622 0.000 -0.041 0.000 3/25920 310.0 0.833 0.742 0.601 0.000 -0.039 0.000 3/25920 320.0 0.806 0.718 0.582 0.000 -0.038 0.000 3/25920 330.0 0.781 0.695 0.564 0.000 -0.037 0.000 3/25920 340.0 0.758 0.674 0.547 0.000 -0.035 0.000 3/25920 350.0 0.736 0.654 0.531 0.000 -0.034 0.000 3/25920 360.0 0.715 0.635 0.516 0.000 -0.033 0.000 3/25920 370.0 0.695 0.618 0.502 0.000 -0.032 0.000 3/25920 380.0 0.677 0.601 0.489 0.000 -0.032 0.000 3/25920 390.0 0.659 0.585 0.476 0.000 -0.031 0.000 3/25920 400.0 0.642 0.570 0.464 0.000 -0.030 0.000 3/25920 410.0 0.626 0.556 0.453 0.000 -0.029 0.000 3/25920 420.0 0.611 0.542 0.442 0.000 -0.028 0.000 3/25920 430.0 0.597 0.530 0.431 0.000 -0.028 0.000 3/25920 440.0 0.583 0.517 0.422 0.000 -0.027 0.000 3/25920 450.0 0.570 0.506 0.412 0.000 -0.027 0.000 3/25920 460.0 0.558 0.494 0.403 0.000 -0.026 0.000 3/25920 470.0 0.546 0.484 0.394 0.000 -0.025 0.000 3/25920 480.0 0.534 0.473 0.386 0.000 -0.025 0.000 3/25920 490.0 0.523 0.464 0.378 0.000 -0.024 0.000 3/25920 500.0 0.513 0.454 0.371 0.000 -0.024 0.000 3/25920 510.0 0.502 0.445 0.363 0.000 -0.023 0.000 3/25920 520.0 0.493 0.436 0.356 0.000 -0.023 0.000 3/25920 530.0 0.483 0.428 0.350 0.000 -0.022 0.000 3/25920 540.0 0.474 0.420 0.343 0.000 -0.022 0.000 3/25920 550.0 0.466 0.412 0.337 0.000 -0.022 0.000 3/25920 560.0 0.457 0.405 0.331 0.000 -0.021 0.000 3/25920 570.0 0.449 0.398 0.325 0.000 -0.021 0.000 3/25920 580.0 0.441 0.391 0.319 0.000 -0.020 0.000 3/25920 590.0 0.434 0.384 0.314 0.000 -0.020 0.000 3/25920 600.0 0.427 0.378 0.309 0.000 -0.020 0.000 3/25920 610.0 0.420 0.371 0.304 0.000 -0.019 0.000 3/25920 620.0 0.413 0.365 0.299 0.000 -0.019 0.000 3/25920 630.0 0.406 0.359 0.294 0.000 -0.019 0.000 3/25920 640.0 0.400 0.354 0.289 0.000 -0.019 0.000 3/25920 650.0 0.394 0.348 0.285 0.000 -0.018 0.000 3/25920 660.0 0.388 0.343 0.280 0.000 -0.018 0.000 3/25920 670.0 0.382 0.338 0.276 0.000 -0.018 0.000 3/25920 680.0 0.376 0.333 0.272 0.000 -0.017 0.000 3/25920 690.0 0.371 0.328 0.268 0.000 -0.017 0.000 3/25920 700.0 0.365 0.323 0.264 0.000 -0.017 0.000 3/25920 710.0 0.360 0.319 0.261 0.000 -0.017 0.000 3/25920 720.0 0.355 0.314 0.257 0.000 -0.016 0.000 3/25920 730.0 0.350 0.310 0.253 0.000 -0.016 0.000 3/25920 740.0 0.346 0.306 0.250 0.000 -0.016 0.000 3/25920 750.0 0.341 0.302 0.247 0.000 -0.016 0.000 3/25920 760.0 0.336 0.298 0.243 0.000 -0.016 0.000 3/25920 770.0 0.332 0.294 0.240 0.000 -0.015 0.000 3/25920 780.0 0.328 0.290 0.237 0.000 -0.015 0.000 3/25920 790.0 0.324 0.286 0.234 0.000 -0.015 0.000 3/25920 800.0 0.320 0.283 0.231 0.000 -0.015 0.000 3/25920 810.0 0.316 0.279 0.228 0.000 -0.015 0.000 3/25920 820.0 0.312 0.276 0.226 0.000 -0.014 0.000 3/25920 830.0 0.308 0.272 0.223 0.000 -0.014 0.000 3/25920 840.0 0.304 0.269 0.220 0.000 -0.014 0.000 3/25920 850.0 0.301 0.266 0.218 0.000 -0.014 0.000 3/25920 860.0 0.297 0.263 0.215 0.000 -0.014 0.000 3/25920 870.0 0.294 0.260 0.213 0.000 -0.014 0.000 3/25920 880.0 0.290 0.257 0.210 0.000 -0.013 0.000 3/25920 890.0 0.287 0.254 0.208 0.000 -0.013 0.000 3/25920 900.0 0.284 0.251 0.206 0.000 -0.013 0.000 3/25920 910.0 0.281 0.248 0.203 0.000 -0.013 0.000 3/25920 920.0 0.278 0.246 0.201 0.000 -0.013 0.000 3/25920 930.0 0.275 0.243 0.199 0.000 -0.013 0.000 3/25920 940.0 0.272 0.240 0.197 0.000 -0.013 0.000 3/25920 950.0 0.269 0.238 0.195 0.000 -0.012 0.000 3/25920 960.0 0.266 0.235 0.193 0.000 -0.012 0.000 3/25920 970.0 0.263 0.233 0.191 0.000 -0.012 0.000 3/25920 980.0 0.261 0.230 0.189 0.000 -0.012 0.000 3/25920 990.0 0.258 0.228 0.187 0.000 -0.012 0.000 3/25920 1000.0 0.256 0.226 0.185 0.000 -0.012 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m946.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:55:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|