----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:15:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3 (173) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.885208710909323 0.000000000000000 0.000000000000000 b -4.442604355454661 7.694816461574257 0.000000000000000 c 0.000000000000000 0.000000000000000 7.177769250000000 Atomic positions (fractional): *1 B 0.82330107024540 0.15236150859139 0.65480367964248 10.811 2 B 0.15236150859139 0.32906043834598 0.15480367964248 10.811 3 B 0.67093956165402 0.82330107024540 0.15480367964248 10.811 4 B 0.32906043834598 0.17669892975460 0.65480367964248 10.811 5 B 0.84763849140861 0.67093956165402 0.65480367964248 10.811 6 B 0.17669892975460 0.84763849140861 0.15480367964248 10.811 *7 B 0.15301191875053 0.32724769912653 0.76842968954511 10.811 8 B 0.32724769912653 0.17423578037600 0.26842968954511 10.811 *9 B 0.66666666666667 0.33333333333333 0.24608349270351 10.811 10 B 0.33333333333333 0.66666666666667 0.74608349270351 10.811 *11 B 0.66666666666667 0.33333333333333 0.63419847433034 10.811 12 B 0.33333333333333 0.66666666666667 0.13419847433034 10.811 13 B 0.84698808124947 0.67275230087348 0.26842968954511 10.811 14 B 0.67275230087348 0.82576421962400 0.76842968954511 10.811 15 B 0.17423578037600 0.84698808124947 0.76842968954511 10.811 16 B 0.82576421962400 0.15301191875053 0.26842968954511 10.811 *17 O 0.29216698218207 0.99396501842463 0.28020317394669 15.999 18 O 0.29820196375744 0.29216698218207 0.78020317394669 15.999 *19 O 0.18955496823027 0.69290897527872 0.20577797960472 15.999 20 O 0.69290897527872 0.50335400704846 0.70577797960472 15.999 21 O 0.49664599295154 0.18955496823027 0.70577797960472 15.999 22 O 0.50335400704846 0.81044503176973 0.20577797960472 15.999 23 O 0.30709102472127 0.49664599295154 0.20577797960472 15.999 24 O 0.81044503176973 0.30709102472127 0.70577797960472 15.999 *25 O 0.66666666666667 0.33333333333333 0.43911089864887 15.999 26 O 0.33333333333333 0.66666666666667 0.93911089864887 15.999 *27 O 0.90795379783494 0.66940839229433 0.46211122328011 15.999 28 O 0.66940839229433 0.76145459445938 0.96211122328011 15.999 29 O 0.23854540554062 0.90795379783494 0.96211122328011 15.999 30 O 0.76145459445938 0.09204620216506 0.46211122328011 15.999 31 O 0.33059160770567 0.23854540554062 0.46211122328011 15.999 32 O 0.09204620216506 0.33059160770567 0.96211122328011 15.999 *33 O 0.99651176368650 0.81471813650076 0.17127973184836 15.999 34 O 0.81471813650076 0.81820637281426 0.67127973184836 15.999 35 O 0.18179362718574 0.99651176368650 0.67127973184836 15.999 36 O 0.81820637281426 0.00348823631350 0.17127973184836 15.999 37 O 0.18528186349924 0.18179362718574 0.17127973184836 15.999 38 O 0.00348823631350 0.18528186349924 0.67127973184836 15.999 *39 O 0.79289565587517 0.50763811688480 0.16835055476040 15.999 40 O 0.50763811688480 0.71474246100964 0.66835055476040 15.999 41 O 0.28525753899036 0.79289565587517 0.66835055476040 15.999 42 O 0.71474246100964 0.20710434412483 0.16835055476040 15.999 43 O 0.49236188311520 0.28525753899036 0.16835055476040 15.999 44 O 0.20710434412483 0.49236188311520 0.66835055476040 15.999 45 O 0.70179803624256 0.70783301781793 0.28020317394669 15.999 46 O 0.70783301781793 0.00603498157537 0.78020317394669 15.999 47 O 0.99396501842463 0.70179803624256 0.78020317394669 15.999 48 O 0.00603498157537 0.29820196375744 0.28020317394669 15.999 *49 Cd 0.00000000000000 0.00000000000000 0.93533677671711 112.411 50 Cd 0.00000000000000 0.00000000000000 0.43533677671711 112.411 *51 Cd 0.95635170745443 0.47982401755903 0.95880308323887 112.411 52 Cd 0.47982401755903 0.52347231010460 0.45880308323887 112.411 53 Cd 0.47652768989540 0.95635170745443 0.45880308323887 112.411 54 Cd 0.52347231010460 0.04364829254557 0.95880308323887 112.411 55 Cd 0.52017598244097 0.47652768989540 0.95880308323887 112.411 56 Cd 0.04364829254557 0.52017598244097 0.45880308323887 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.885208710909323 0.000000000000000 0.000000000000000 b -4.442604355454661 7.694816461574257 0.000000000000000 c 0.000000000000000 0.000000000000000 7.177769250000000 Atomic positions (fractional): *1 B 0.82330107024540 0.15236150859139 0.65480367964248 10.811 > 1 2 B 0.15236150859139 0.32906043834598 0.15480367964248 10.811 > 2 3 B 0.67093956165402 0.82330107024540 0.15480367964248 10.811 > 3 4 B 0.32906043834598 0.17669892975460 0.65480367964248 10.811 > 4 5 B 0.84763849140861 0.67093956165402 0.65480367964248 10.811 > 5 6 B 0.17669892975460 0.84763849140861 0.15480367964248 10.811 > 6 *7 B 0.15301191875053 0.32724769912653 0.76842968954511 10.811 > 7 8 B 0.32724769912653 0.17423578037600 0.26842968954511 10.811 > 8 *9 B 0.66666666666667 0.33333333333333 0.24608349270351 10.811 > 9 10 B 0.33333333333333 0.66666666666667 0.74608349270351 10.811 > 10 *11 B 0.66666666666667 0.33333333333333 0.63419847433034 10.811 > 11 12 B 0.33333333333333 0.66666666666667 0.13419847433034 10.811 > 12 13 B 0.84698808124947 0.67275230087348 0.26842968954511 10.811 > 13 14 B 0.67275230087348 0.82576421962400 0.76842968954511 10.811 > 14 15 B 0.17423578037600 0.84698808124947 0.76842968954511 10.811 > 15 16 B 0.82576421962400 0.15301191875053 0.26842968954511 10.811 > 16 *17 O 0.29216698218207 0.99396501842463 0.28020317394669 15.999 > 17 18 O 0.29820196375744 0.29216698218207 0.78020317394669 15.999 > 18 *19 O 0.18955496823027 0.69290897527872 0.20577797960472 15.999 > 19 20 O 0.69290897527872 0.50335400704846 0.70577797960472 15.999 > 20 21 O 0.49664599295154 0.18955496823027 0.70577797960472 15.999 > 21 22 O 0.50335400704846 0.81044503176973 0.20577797960472 15.999 > 22 23 O 0.30709102472127 0.49664599295154 0.20577797960472 15.999 > 23 24 O 0.81044503176973 0.30709102472127 0.70577797960472 15.999 > 24 *25 O 0.66666666666667 0.33333333333333 0.43911089864887 15.999 > 25 26 O 0.33333333333333 0.66666666666667 0.93911089864887 15.999 > 26 *27 O 0.90795379783494 0.66940839229433 0.46211122328011 15.999 > 27 28 O 0.66940839229433 0.76145459445938 0.96211122328011 15.999 > 28 29 O 0.23854540554062 0.90795379783494 0.96211122328011 15.999 > 29 30 O 0.76145459445938 0.09204620216506 0.46211122328011 15.999 > 30 31 O 0.33059160770567 0.23854540554062 0.46211122328011 15.999 > 31 32 O 0.09204620216506 0.33059160770567 0.96211122328011 15.999 > 32 *33 O 0.99651176368650 0.81471813650076 0.17127973184836 15.999 > 33 34 O 0.81471813650076 0.81820637281426 0.67127973184836 15.999 > 34 35 O 0.18179362718574 0.99651176368650 0.67127973184836 15.999 > 35 36 O 0.81820637281426 0.00348823631350 0.17127973184836 15.999 > 36 37 O 0.18528186349924 0.18179362718574 0.17127973184836 15.999 > 37 38 O 0.00348823631350 0.18528186349924 0.67127973184836 15.999 > 38 *39 O 0.79289565587517 0.50763811688480 0.16835055476040 15.999 > 39 40 O 0.50763811688480 0.71474246100964 0.66835055476040 15.999 > 40 41 O 0.28525753899036 0.79289565587517 0.66835055476040 15.999 > 41 42 O 0.71474246100964 0.20710434412483 0.16835055476040 15.999 > 42 43 O 0.49236188311520 0.28525753899036 0.16835055476040 15.999 > 43 44 O 0.20710434412483 0.49236188311520 0.66835055476040 15.999 > 44 45 O 0.70179803624256 0.70783301781793 0.28020317394669 15.999 > 45 46 O 0.70783301781793 0.00603498157537 0.78020317394669 15.999 > 46 47 O 0.99396501842463 0.70179803624256 0.78020317394669 15.999 > 47 48 O 0.00603498157537 0.29820196375744 0.28020317394669 15.999 > 48 *49 Cd 0.00000000000000 0.00000000000000 0.93533677671711 112.411 > 49 50 Cd 0.00000000000000 0.00000000000000 0.43533677671711 112.411 > 50 *51 Cd 0.95635170745443 0.47982401755903 0.95880308323887 112.411 > 51 52 Cd 0.47982401755903 0.52347231010460 0.45880308323887 112.411 > 52 53 Cd 0.47652768989540 0.95635170745443 0.45880308323887 112.411 > 53 54 Cd 0.52347231010460 0.04364829254557 0.95880308323887 112.411 > 54 55 Cd 0.52017598244097 0.47652768989540 0.95880308323887 112.411 > 55 56 Cd 0.04364829254557 0.52017598244097 0.45880308323887 112.411 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.885208710909323 0.000000000000000 0.000000000000000 b -4.442604355454661 7.694816461574257 0.000000000000000 c 0.000000000000000 0.000000000000000 14.355538500000000 Atomic positions (fractional): *1 B 0.82330107024540 0.15236150859139 0.32740183982124 10.811 > 1 2 B 0.82330107024540 0.15236150859139 0.82740183982124 10.811 > 1 3 B 0.15236150859139 0.32906043834598 0.07740183982124 10.811 > 2 4 B 0.15236150859139 0.32906043834598 0.57740183982124 10.811 > 2 5 B 0.67093956165402 0.82330107024540 0.07740183982124 10.811 > 3 6 B 0.67093956165402 0.82330107024540 0.57740183982124 10.811 > 3 7 B 0.32906043834598 0.17669892975460 0.32740183982124 10.811 > 4 8 B 0.32906043834598 0.17669892975460 0.82740183982124 10.811 > 4 9 B 0.84763849140861 0.67093956165402 0.32740183982124 10.811 > 5 10 B 0.84763849140861 0.67093956165402 0.82740183982124 10.811 > 5 11 B 0.17669892975460 0.84763849140861 0.07740183982124 10.811 > 6 12 B 0.17669892975460 0.84763849140861 0.57740183982124 10.811 > 6 *13 B 0.15301191875053 0.32724769912653 0.38421484477256 10.811 > 7 14 B 0.15301191875053 0.32724769912653 0.88421484477256 10.811 > 7 15 B 0.32724769912653 0.17423578037600 0.13421484477256 10.811 > 8 16 B 0.32724769912653 0.17423578037600 0.63421484477256 10.811 > 8 *17 B 0.66666666666667 0.33333333333333 0.12304174635175 10.811 > 9 18 B 0.66666666666667 0.33333333333333 0.62304174635176 10.811 > 9 19 B 0.33333333333333 0.66666666666667 0.37304174635175 10.811 > 10 20 B 0.33333333333333 0.66666666666667 0.87304174635175 10.811 > 10 *21 B 0.66666666666667 0.33333333333333 0.31709923716517 10.811 > 11 22 B 0.66666666666667 0.33333333333333 0.81709923716517 10.811 > 11 23 B 0.33333333333333 0.66666666666667 0.06709923716517 10.811 > 12 24 B 0.33333333333333 0.66666666666667 0.56709923716517 10.811 > 12 25 B 0.84698808124947 0.67275230087348 0.13421484477256 10.811 > 13 26 B 0.84698808124947 0.67275230087348 0.63421484477256 10.811 > 13 27 B 0.67275230087348 0.82576421962400 0.38421484477256 10.811 > 14 28 B 0.67275230087348 0.82576421962400 0.88421484477256 10.811 > 14 29 B 0.17423578037600 0.84698808124947 0.38421484477256 10.811 > 15 30 B 0.17423578037600 0.84698808124947 0.88421484477256 10.811 > 15 31 B 0.82576421962400 0.15301191875053 0.13421484477256 10.811 > 16 32 B 0.82576421962400 0.15301191875053 0.63421484477256 10.811 > 16 *33 O 0.29216698218207 0.99396501842463 0.14010158697334 15.999 > 17 34 O 0.29216698218207 0.99396501842463 0.64010158697334 15.999 > 17 35 O 0.29820196375744 0.29216698218207 0.39010158697334 15.999 > 18 36 O 0.29820196375744 0.29216698218207 0.89010158697334 15.999 > 18 *37 O 0.18955496823027 0.69290897527872 0.10288898980236 15.999 > 19 38 O 0.18955496823027 0.69290897527872 0.60288898980236 15.999 > 19 39 O 0.69290897527872 0.50335400704846 0.35288898980236 15.999 > 20 40 O 0.69290897527872 0.50335400704846 0.85288898980236 15.999 > 20 41 O 0.49664599295154 0.18955496823027 0.35288898980236 15.999 > 21 42 O 0.49664599295154 0.18955496823027 0.85288898980236 15.999 > 21 43 O 0.50335400704846 0.81044503176973 0.10288898980236 15.999 > 22 44 O 0.50335400704846 0.81044503176973 0.60288898980236 15.999 > 22 45 O 0.30709102472127 0.49664599295154 0.10288898980236 15.999 > 23 46 O 0.30709102472127 0.49664599295154 0.60288898980236 15.999 > 23 47 O 0.81044503176973 0.30709102472127 0.35288898980236 15.999 > 24 48 O 0.81044503176973 0.30709102472127 0.85288898980236 15.999 > 24 *49 O 0.66666666666667 0.33333333333333 0.21955544932443 15.999 > 25 50 O 0.66666666666667 0.33333333333333 0.71955544932443 15.999 > 25 51 O 0.33333333333333 0.66666666666667 0.46955544932443 15.999 > 26 52 O 0.33333333333333 0.66666666666667 0.96955544932443 15.999 > 26 *53 O 0.90795379783494 0.66940839229433 0.23105561164005 15.999 > 27 54 O 0.90795379783494 0.66940839229433 0.73105561164005 15.999 > 27 55 O 0.66940839229433 0.76145459445938 0.48105561164005 15.999 > 28 56 O 0.66940839229433 0.76145459445938 0.98105561164005 15.999 > 28 57 O 0.23854540554062 0.90795379783494 0.48105561164005 15.999 > 29 58 O 0.23854540554062 0.90795379783494 0.98105561164005 15.999 > 29 59 O 0.76145459445938 0.09204620216506 0.23105561164005 15.999 > 30 60 O 0.76145459445938 0.09204620216506 0.73105561164005 15.999 > 30 61 O 0.33059160770567 0.23854540554062 0.23105561164005 15.999 > 31 62 O 0.33059160770567 0.23854540554062 0.73105561164005 15.999 > 31 63 O 0.09204620216506 0.33059160770567 0.48105561164005 15.999 > 32 64 O 0.09204620216506 0.33059160770567 0.98105561164005 15.999 > 32 *65 O 0.99651176368650 0.81471813650076 0.08563986592418 15.999 > 33 66 O 0.99651176368650 0.81471813650076 0.58563986592418 15.999 > 33 67 O 0.81471813650076 0.81820637281426 0.33563986592418 15.999 > 34 68 O 0.81471813650076 0.81820637281426 0.83563986592418 15.999 > 34 69 O 0.18179362718574 0.99651176368650 0.33563986592418 15.999 > 35 70 O 0.18179362718574 0.99651176368650 0.83563986592418 15.999 > 35 71 O 0.81820637281426 0.00348823631350 0.08563986592418 15.999 > 36 72 O 0.81820637281426 0.00348823631350 0.58563986592418 15.999 > 36 73 O 0.18528186349924 0.18179362718574 0.08563986592418 15.999 > 37 74 O 0.18528186349924 0.18179362718574 0.58563986592418 15.999 > 37 75 O 0.00348823631350 0.18528186349924 0.33563986592418 15.999 > 38 76 O 0.00348823631350 0.18528186349924 0.83563986592418 15.999 > 38 *77 O 0.79289565587517 0.50763811688480 0.08417527738020 15.999 > 39 78 O 0.79289565587517 0.50763811688480 0.58417527738020 15.999 > 39 79 O 0.50763811688480 0.71474246100964 0.33417527738020 15.999 > 40 80 O 0.50763811688480 0.71474246100964 0.83417527738020 15.999 > 40 81 O 0.28525753899036 0.79289565587517 0.33417527738020 15.999 > 41 82 O 0.28525753899036 0.79289565587517 0.83417527738020 15.999 > 41 83 O 0.71474246100964 0.20710434412483 0.08417527738020 15.999 > 42 84 O 0.71474246100964 0.20710434412483 0.58417527738020 15.999 > 42 85 O 0.49236188311520 0.28525753899036 0.08417527738020 15.999 > 43 86 O 0.49236188311520 0.28525753899036 0.58417527738020 15.999 > 43 87 O 0.20710434412483 0.49236188311520 0.33417527738020 15.999 > 44 88 O 0.20710434412483 0.49236188311520 0.83417527738020 15.999 > 44 89 O 0.70179803624256 0.70783301781793 0.14010158697334 15.999 > 45 90 O 0.70179803624256 0.70783301781793 0.64010158697334 15.999 > 45 91 O 0.70783301781793 0.00603498157537 0.39010158697334 15.999 > 46 92 O 0.70783301781793 0.00603498157537 0.89010158697334 15.999 > 46 93 O 0.99396501842463 0.70179803624256 0.39010158697334 15.999 > 47 94 O 0.99396501842463 0.70179803624256 0.89010158697334 15.999 > 47 95 O 0.00603498157537 0.29820196375744 0.14010158697334 15.999 > 48 96 O 0.00603498157537 0.29820196375744 0.64010158697334 15.999 > 48 *97 Cd 0.00000000000000 0.00000000000000 0.46766838835856 112.411 > 49 98 Cd 0.00000000000000 0.00000000000000 0.96766838835856 112.411 > 49 99 Cd 0.00000000000000 0.00000000000000 0.21766838835856 112.411 > 50 100 Cd 0.00000000000000 0.00000000000000 0.71766838835856 112.411 > 50 *101 Cd 0.95635170745443 0.47982401755903 0.47940154161944 112.411 > 51 102 Cd 0.95635170745443 0.47982401755903 0.97940154161944 112.411 > 51 103 Cd 0.47982401755903 0.52347231010460 0.22940154161944 112.411 > 52 104 Cd 0.47982401755903 0.52347231010460 0.72940154161944 112.411 > 52 105 Cd 0.47652768989540 0.95635170745443 0.22940154161944 112.411 > 53 106 Cd 0.47652768989540 0.95635170745443 0.72940154161944 112.411 > 53 107 Cd 0.52347231010460 0.04364829254557 0.47940154161944 112.411 > 54 108 Cd 0.52347231010460 0.04364829254557 0.97940154161944 112.411 > 54 109 Cd 0.52017598244097 0.47652768989540 0.47940154161944 112.411 > 55 110 Cd 0.52017598244097 0.47652768989540 0.97940154161944 112.411 > 55 111 Cd 0.04364829254557 0.52017598244097 0.22940154161944 112.411 > 56 112 Cd 0.04364829254557 0.52017598244097 0.72940154161944 112.411 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6631585 -0.0000006 0.0000000 0.0000006 3.6631585 0.0000000 0.0000000 0.0000000 3.7308632 -------------------------- Born effective charges -------------------------- 1 B 2.4886265 0.1070186 0.0412798 -0.1048872 2.6343077 -0.0699747 0.1504513 -0.0495773 2.4636342 2 B 2.5988103 0.1685019 -0.0399599 -0.0434040 2.5241239 -0.0707367 0.0322905 -0.1550833 2.4636342 3 B 2.5969645 0.0423383 0.0812398 -0.1695676 2.5259698 0.0007621 0.1181609 0.1055060 2.4636342 4 B 2.5969645 0.0423383 -0.0812398 -0.1695676 2.5259698 -0.0007621 -0.1181609 -0.1055060 2.4636342 5 B 2.5988103 0.1685019 0.0399599 -0.0434040 2.5241239 0.0707367 -0.0322905 0.1550833 2.4636342 6 B 2.4886265 0.1070186 -0.0412798 -0.1048872 2.6343077 0.0699747 -0.1504513 0.0495773 2.4636342 7 B 2.4323258 -0.0666429 -0.0196422 0.1451623 2.6220819 0.0192977 -0.0329893 -0.1632945 2.4604319 8 B 2.6086428 -0.0433657 0.0068912 0.1684396 2.4457649 0.0266595 -0.1579118 -0.0530777 2.4604319 9 B 2.4241018 0.1371110 0.0000000 -0.1371110 2.4241018 0.0000000 0.0000000 0.0000000 2.7008799 10 B 2.4241018 0.1371110 0.0000000 -0.1371110 2.4241018 0.0000000 0.0000000 0.0000000 2.7008799 11 B 2.5375971 -0.1057712 0.0000000 0.1057712 2.5375971 0.0000000 0.0000000 0.0000000 2.6889940 12 B 2.5375971 -0.1057712 0.0000000 0.1057712 2.5375971 0.0000000 0.0000000 0.0000000 2.6889940 13 B 2.4323258 -0.0666429 0.0196422 0.1451623 2.6220819 -0.0192977 0.0329893 0.1632945 2.4604319 14 B 2.6086428 -0.0433657 -0.0068912 0.1684396 2.4457649 -0.0266595 0.1579118 0.0530777 2.4604319 15 B 2.5406430 -0.2076993 0.0265334 0.0041060 2.5137647 0.0073618 -0.1249225 0.1102168 2.4604319 16 B 2.5406430 -0.2076993 -0.0265334 0.0041060 2.5137647 -0.0073618 0.1249225 -0.1102168 2.4604319 17 O -1.5891996 0.1180294 -0.1928510 0.1522663 -2.4568206 -0.3787763 -0.1143457 -0.4225572 -1.5892436 18 O -2.3569568 0.2909986 0.2316044 0.3252354 -1.6890634 -0.3564020 0.3087725 -0.3103049 -1.5892436 19 O -2.1961342 0.3748954 0.1460070 0.4214494 -1.9466045 0.1545930 0.1997174 0.1353477 -1.5529008 20 O -1.6641595 -0.1143137 0.2068849 -0.0677596 -2.4785792 -0.0491493 0.2170733 -0.1052865 -1.5529008 21 O -2.3538143 -0.3304128 -0.0608779 -0.2838587 -1.7889244 0.2037423 -0.0173559 0.2406342 -1.5529008 22 O -2.3538143 -0.3304128 0.0608779 -0.2838587 -1.7889244 -0.2037423 0.0173559 -0.2406342 -1.5529008 23 O -1.6641595 -0.1143137 -0.2068849 -0.0677596 -2.4785792 0.0491493 -0.2170733 0.1052865 -1.5529008 24 O -2.1961342 0.3748954 -0.1460070 0.4214494 -1.9466045 -0.1545930 -0.1997174 -0.1353477 -1.5529008 25 O -1.3676316 0.0308343 0.0000000 -0.0308343 -1.3676316 0.0000000 0.0000000 0.0000000 -3.2565337 26 O -1.3676316 0.0308343 0.0000000 -0.0308343 -1.3676316 0.0000000 0.0000000 0.0000000 -3.2565337 27 O -1.5035221 0.1418684 -0.0015714 0.2147443 -1.4544083 0.0480995 0.0393382 0.0011456 -2.7407849 28 O -1.3122689 -0.1043242 0.0408696 -0.0314483 -1.6456615 0.0254106 0.0206612 -0.0334951 -2.7407849 29 O -1.6211046 -0.1468581 -0.0424411 -0.0739821 -1.3368258 0.0226888 0.0186770 0.0346407 -2.7407849 30 O -1.6211046 -0.1468581 0.0424411 -0.0739821 -1.3368258 -0.0226888 -0.0186770 -0.0346407 -2.7407849 31 O -1.3122689 -0.1043242 -0.0408696 -0.0314483 -1.6456615 -0.0254106 -0.0206612 0.0334951 -2.7407849 32 O -1.5035221 0.1418684 0.0015714 0.2147443 -1.4544083 -0.0480995 -0.0393382 -0.0011456 -2.7407849 33 O -2.2756846 -0.3508068 0.3527959 -0.4603245 -1.8308807 0.3031829 0.4055074 0.3218276 -1.5686084 34 O -2.2933119 0.4501474 0.4389621 0.3406297 -1.8132535 -0.1539387 0.4814645 -0.1902660 -1.5686084 35 O -1.5908515 0.0649359 -0.0861662 -0.0445817 -2.5157138 0.4571217 -0.0759571 0.5120935 -1.5686084 36 O -1.5908515 0.0649359 0.0861662 -0.0445817 -2.5157138 -0.4571217 0.0759571 -0.5120935 -1.5686084 37 O -2.2933119 0.4501474 -0.4389621 0.3406297 -1.8132535 0.1539387 -0.4814645 0.1902660 -1.5686084 38 O -2.2756846 -0.3508068 -0.3527959 -0.4603245 -1.8308807 -0.3031829 -0.4055074 -0.3218276 -1.5686084 39 O -1.5006191 -0.0524910 0.2341223 -0.0473678 -2.4497876 -0.0909871 0.1700610 -0.1273491 -1.6549921 40 O -2.2557356 -0.3885989 0.0382640 -0.3834757 -1.6946710 -0.2482494 -0.0252571 -0.2109517 -1.6549921 41 O -2.1692553 0.4334051 0.1958583 0.4385284 -1.7811514 0.1572623 0.1953181 0.0836025 -1.6549921 42 O -2.1692553 0.4334051 -0.1958583 0.4385284 -1.7811514 -0.1572623 -0.1953181 -0.0836025 -1.6549921 43 O -2.2557356 -0.3885989 -0.0382640 -0.3834757 -1.6946710 0.2482494 0.0252571 0.2109517 -1.6549921 44 O -1.5006191 -0.0524910 -0.2341223 -0.0473678 -2.4497876 0.0909871 -0.1700610 0.1273491 -1.6549921 45 O -2.3569568 0.2909986 -0.2316044 0.3252354 -1.6890634 0.3564020 -0.3087725 0.3103049 -1.5892436 46 O -1.5891996 0.1180294 0.1928510 0.1522663 -2.4568206 0.3787763 0.1143457 0.4225572 -1.5892436 47 O -2.1228739 -0.4603833 -0.4244554 -0.4261464 -1.9231463 -0.0223743 -0.4231181 -0.1122524 -1.5892436 48 O -2.1228739 -0.4603833 0.4244554 -0.4261464 -1.9231463 0.0223743 0.4231181 0.1122524 -1.5892436 49 Cd 2.6166469 -0.0525499 0.0000000 0.0525499 2.6166469 0.0000000 0.0000000 0.0000000 2.7675924 50 Cd 2.6166469 -0.0525499 0.0000000 0.0525499 2.6166469 0.0000000 0.0000000 0.0000000 2.7675924 51 Cd 2.4299611 -0.0584395 -0.0323579 -0.1011953 2.4558821 -0.0154336 -0.0113024 0.0331762 2.5488195 52 Cd 2.3802780 0.0725107 -0.0295448 0.0297549 2.5055652 0.0203060 0.0230802 0.0263762 2.5488195 53 Cd 2.5185257 0.0500624 -0.0028131 0.0073066 2.3673175 -0.0357395 -0.0343826 0.0068000 2.5488195 54 Cd 2.5185257 0.0500624 0.0028131 0.0073066 2.3673175 0.0357395 0.0343826 -0.0068000 2.5488195 55 Cd 2.3802780 0.0725107 0.0295448 0.0297549 2.5055652 -0.0203060 -0.0230802 -0.0263762 2.5488195 56 Cd 2.4299611 -0.0584395 0.0323579 -0.1011953 2.4558821 0.0154336 0.0113024 -0.0331762 2.5488195 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4732 Number of blocks in projector: 2136 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 2128 Use submatrix version of eigh solver. (1) Block: 500 / 2128 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 2128 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2128 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2000 / 2128 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2128 / 2128 (1) 101 eigenvectors found. (1) Complementary block size: 166 (1) Compute compressed projector. (1) Use standard solver. (1) 127 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 226 eigenvectors found. (2) Block: 548 / 548 (2) 274 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 524 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 80 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 556 Use submatrix version of eigh solver. (1) Block: 556 / 556 (2) Block: 250 / 556 (2) 238 eigenvectors found. (2) Block: 500 / 556 (2) 241 eigenvectors found. (2) Block: 556 / 556 (2) 50 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4732, 4649), data: False |-- (556, 544), data: False |-- (556, 544), data: False |-- (556, 15), data: (556, 27) @ (27, 15) |-- (56, 50), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (2048, 2016), data: False |-- (2048, 80), data: (2048, 112) @ (112, 80) |-- (548, 524), data: False |-- (548, 24), data: (548, 48) @ (48, 24) |-- (298, 274), data: True |-- (250, 226), data: True |-- (500, 468), data: False |-- (500, 20), data: (500, 52) @ (52, 20) |-- (250, 230), data: True |-- (250, 218), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 226), data: True |-- (250, 230), data: True |-- (500, 468), data: False |-- (500, 20), data: (500, 52) @ (52, 20) |-- (250, 222), data: True |-- (250, 226), data: True |-- (2128, 2089), data: False |-- (2128, 127), data: (2128, 166) @ (166, 127) |-- (128, 101), data: True |-- (500, 465), data: False |-- (500, 29), data: (500, 64) @ (64, 29) |-- (250, 221), data: True |-- (250, 215), data: True |-- (500, 465), data: False |-- (500, 14), data: (500, 49) @ (49, 14) |-- (250, 221), data: True |-- (250, 230), data: True |-- (500, 469), data: False |-- (500, 23), data: (500, 54) @ (54, 23) |-- (250, 227), data: True |-- (250, 219), data: True |-- (500, 462), data: False |-- (500, 18), data: (500, 56) @ (56, 18) |-- (250, 224), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 1120 - Time: 1.913 Solver_block: 200 / 1120 - Time: 1.923 Solver_block: 300 / 1120 - Time: 2.484 Solver_block: 400 / 1120 - Time: 2.266 Solver_block: 500 / 1120 - Time: 1.482 Solver_block: 600 / 1120 - Time: 1.236 Solver_block: 700 / 1120 - Time: 2.304 Solver_block: 800 / 1120 - Time: 2.479 Solver_block: 900 / 1120 - Time: 2.286 Solver_block: 1000 / 1120 - Time: 2.050 Solver_block: 1100 / 1120 - Time: 2.285 Solver_block: 1120 / 1120 - Time: 0.334 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.154 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4732 Number of blocks in projector: 2136 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 2128 Use submatrix version of eigh solver. (1) Block: 500 / 2128 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 2128 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2128 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2000 / 2128 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2128 / 2128 (1) 101 eigenvectors found. (1) Complementary block size: 166 (1) Compute compressed projector. (1) Use standard solver. (1) 127 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 226 eigenvectors found. (2) Block: 548 / 548 (2) 274 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 524 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 80 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 556 Use submatrix version of eigh solver. (1) Block: 556 / 556 (2) Block: 250 / 556 (2) 238 eigenvectors found. (2) Block: 500 / 556 (2) 241 eigenvectors found. (2) Block: 556 / 556 (2) 50 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4732, 4649), data: False |-- (556, 544), data: False |-- (556, 544), data: False |-- (556, 15), data: (556, 27) @ (27, 15) |-- (56, 50), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (2048, 2016), data: False |-- (2048, 80), data: (2048, 112) @ (112, 80) |-- (548, 524), data: False |-- (548, 24), data: (548, 48) @ (48, 24) |-- (298, 274), data: True |-- (250, 226), data: True |-- (500, 468), data: False |-- (500, 20), data: (500, 52) @ (52, 20) |-- (250, 230), data: True |-- (250, 218), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 226), data: True |-- (250, 230), data: True |-- (500, 468), data: False |-- (500, 20), data: (500, 52) @ (52, 20) |-- (250, 222), data: True |-- (250, 226), data: True |-- (2128, 2089), data: False |-- (2128, 127), data: (2128, 166) @ (166, 127) |-- (128, 101), data: True |-- (500, 465), data: False |-- (500, 29), data: (500, 64) @ (64, 29) |-- (250, 221), data: True |-- (250, 215), data: True |-- (500, 465), data: False |-- (500, 14), data: (500, 49) @ (49, 14) |-- (250, 221), data: True |-- (250, 230), data: True |-- (500, 469), data: False |-- (500, 23), data: (500, 54) @ (54, 23) |-- (250, 227), data: True |-- (250, 219), data: True |-- (500, 462), data: False |-- (500, 18), data: (500, 56) @ (56, 18) |-- (250, 224), data: True |-- (250, 220), 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 00:16:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:17:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3 (173) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.885208710909323 0.000000000000000 0.000000000000000 b -4.442604355454661 7.694816461574257 0.000000000000000 c 0.000000000000000 0.000000000000000 7.177769250000000 Atomic positions (fractional): 1 B 0.82330107024540 0.15236150859139 0.65480367964248 10.811 2 B 0.15236150859139 0.32906043834598 0.15480367964248 10.811 3 B 0.67093956165402 0.82330107024540 0.15480367964248 10.811 4 B 0.32906043834598 0.17669892975460 0.65480367964248 10.811 5 B 0.84763849140861 0.67093956165402 0.65480367964248 10.811 6 B 0.17669892975460 0.84763849140861 0.15480367964248 10.811 7 B 0.15301191875053 0.32724769912653 0.76842968954511 10.811 8 B 0.32724769912653 0.17423578037600 0.26842968954511 10.811 9 B 0.66666666666667 0.33333333333333 0.24608349270351 10.811 10 B 0.33333333333333 0.66666666666667 0.74608349270351 10.811 11 B 0.66666666666667 0.33333333333333 0.63419847433034 10.811 12 B 0.33333333333333 0.66666666666667 0.13419847433034 10.811 13 B 0.84698808124947 0.67275230087348 0.26842968954511 10.811 14 B 0.67275230087348 0.82576421962400 0.76842968954511 10.811 15 B 0.17423578037600 0.84698808124947 0.76842968954511 10.811 16 B 0.82576421962400 0.15301191875053 0.26842968954511 10.811 17 O 0.29216698218207 0.99396501842463 0.28020317394669 15.999 18 O 0.29820196375744 0.29216698218207 0.78020317394669 15.999 19 O 0.18955496823027 0.69290897527872 0.20577797960472 15.999 20 O 0.69290897527872 0.50335400704846 0.70577797960472 15.999 21 O 0.49664599295154 0.18955496823027 0.70577797960472 15.999 22 O 0.50335400704846 0.81044503176973 0.20577797960472 15.999 23 O 0.30709102472127 0.49664599295154 0.20577797960472 15.999 24 O 0.81044503176973 0.30709102472127 0.70577797960472 15.999 25 O 0.66666666666667 0.33333333333333 0.43911089864887 15.999 26 O 0.33333333333333 0.66666666666667 0.93911089864887 15.999 27 O 0.90795379783494 0.66940839229433 0.46211122328011 15.999 28 O 0.66940839229433 0.76145459445938 0.96211122328011 15.999 29 O 0.23854540554062 0.90795379783494 0.96211122328011 15.999 30 O 0.76145459445938 0.09204620216506 0.46211122328011 15.999 31 O 0.33059160770567 0.23854540554062 0.46211122328011 15.999 32 O 0.09204620216506 0.33059160770567 0.96211122328011 15.999 33 O 0.99651176368650 0.81471813650076 0.17127973184836 15.999 34 O 0.81471813650076 0.81820637281426 0.67127973184836 15.999 35 O 0.18179362718574 0.99651176368650 0.67127973184836 15.999 36 O 0.81820637281426 0.00348823631350 0.17127973184836 15.999 37 O 0.18528186349924 0.18179362718574 0.17127973184836 15.999 38 O 0.00348823631350 0.18528186349924 0.67127973184836 15.999 39 O 0.79289565587517 0.50763811688480 0.16835055476040 15.999 40 O 0.50763811688480 0.71474246100964 0.66835055476040 15.999 41 O 0.28525753899036 0.79289565587517 0.66835055476040 15.999 42 O 0.71474246100964 0.20710434412483 0.16835055476040 15.999 43 O 0.49236188311520 0.28525753899036 0.16835055476040 15.999 44 O 0.20710434412483 0.49236188311520 0.66835055476040 15.999 45 O 0.70179803624256 0.70783301781793 0.28020317394669 15.999 46 O 0.70783301781793 0.00603498157537 0.78020317394669 15.999 47 O 0.99396501842463 0.70179803624256 0.78020317394669 15.999 48 O 0.00603498157537 0.29820196375744 0.28020317394669 15.999 49 Cd 0.00000000000000 0.00000000000000 0.93533677671711 112.411 50 Cd 0.00000000000000 0.00000000000000 0.43533677671711 112.411 51 Cd 0.95635170745443 0.47982401755903 0.95880308323887 112.411 52 Cd 0.47982401755903 0.52347231010460 0.45880308323887 112.411 53 Cd 0.47652768989540 0.95635170745443 0.45880308323887 112.411 54 Cd 0.52347231010460 0.04364829254557 0.95880308323887 112.411 55 Cd 0.52017598244097 0.47652768989540 0.95880308323887 112.411 56 Cd 0.04364829254557 0.52017598244097 0.45880308323887 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.885208710909323 0.000000000000000 0.000000000000000 b -4.442604355454661 7.694816461574257 0.000000000000000 c 0.000000000000000 0.000000000000000 14.355538500000000 Atomic positions (fractional): 1 B 0.82330107024540 0.15236150859139 0.32740183982124 10.811 > 1 2 B 0.82330107024540 0.15236150859139 0.82740183982124 10.811 > 1 3 B 0.15236150859139 0.32906043834598 0.07740183982124 10.811 > 3 4 B 0.15236150859139 0.32906043834598 0.57740183982124 10.811 > 3 5 B 0.67093956165402 0.82330107024540 0.07740183982124 10.811 > 5 6 B 0.67093956165402 0.82330107024540 0.57740183982124 10.811 > 5 7 B 0.32906043834598 0.17669892975460 0.32740183982124 10.811 > 7 8 B 0.32906043834598 0.17669892975460 0.82740183982124 10.811 > 7 9 B 0.84763849140861 0.67093956165402 0.32740183982124 10.811 > 9 10 B 0.84763849140861 0.67093956165402 0.82740183982124 10.811 > 9 11 B 0.17669892975460 0.84763849140861 0.07740183982124 10.811 > 11 12 B 0.17669892975460 0.84763849140861 0.57740183982124 10.811 > 11 13 B 0.15301191875053 0.32724769912653 0.38421484477256 10.811 > 13 14 B 0.15301191875053 0.32724769912653 0.88421484477256 10.811 > 13 15 B 0.32724769912653 0.17423578037600 0.13421484477256 10.811 > 15 16 B 0.32724769912653 0.17423578037600 0.63421484477256 10.811 > 15 17 B 0.66666666666667 0.33333333333333 0.12304174635175 10.811 > 17 18 B 0.66666666666667 0.33333333333333 0.62304174635176 10.811 > 17 19 B 0.33333333333333 0.66666666666667 0.37304174635175 10.811 > 19 20 B 0.33333333333333 0.66666666666667 0.87304174635175 10.811 > 19 21 B 0.66666666666667 0.33333333333333 0.31709923716517 10.811 > 21 22 B 0.66666666666667 0.33333333333333 0.81709923716517 10.811 > 21 23 B 0.33333333333333 0.66666666666667 0.06709923716517 10.811 > 23 24 B 0.33333333333333 0.66666666666667 0.56709923716517 10.811 > 23 25 B 0.84698808124947 0.67275230087348 0.13421484477256 10.811 > 25 26 B 0.84698808124947 0.67275230087348 0.63421484477256 10.811 > 25 27 B 0.67275230087348 0.82576421962400 0.38421484477256 10.811 > 27 28 B 0.67275230087348 0.82576421962400 0.88421484477256 10.811 > 27 29 B 0.17423578037600 0.84698808124947 0.38421484477256 10.811 > 29 30 B 0.17423578037600 0.84698808124947 0.88421484477256 10.811 > 29 31 B 0.82576421962400 0.15301191875053 0.13421484477256 10.811 > 31 32 B 0.82576421962400 0.15301191875053 0.63421484477256 10.811 > 31 33 O 0.29216698218207 0.99396501842463 0.14010158697334 15.999 > 33 34 O 0.29216698218207 0.99396501842463 0.64010158697334 15.999 > 33 35 O 0.29820196375744 0.29216698218207 0.39010158697334 15.999 > 35 36 O 0.29820196375744 0.29216698218207 0.89010158697334 15.999 > 35 37 O 0.18955496823027 0.69290897527872 0.10288898980236 15.999 > 37 38 O 0.18955496823027 0.69290897527872 0.60288898980236 15.999 > 37 39 O 0.69290897527872 0.50335400704846 0.35288898980236 15.999 > 39 40 O 0.69290897527872 0.50335400704846 0.85288898980236 15.999 > 39 41 O 0.49664599295154 0.18955496823027 0.35288898980236 15.999 > 41 42 O 0.49664599295154 0.18955496823027 0.85288898980236 15.999 > 41 43 O 0.50335400704846 0.81044503176973 0.10288898980236 15.999 > 43 44 O 0.50335400704846 0.81044503176973 0.60288898980236 15.999 > 43 45 O 0.30709102472127 0.49664599295154 0.10288898980236 15.999 > 45 46 O 0.30709102472127 0.49664599295154 0.60288898980236 15.999 > 45 47 O 0.81044503176973 0.30709102472127 0.35288898980236 15.999 > 47 48 O 0.81044503176973 0.30709102472127 0.85288898980236 15.999 > 47 49 O 0.66666666666667 0.33333333333333 0.21955544932443 15.999 > 49 50 O 0.66666666666667 0.33333333333333 0.71955544932443 15.999 > 49 51 O 0.33333333333333 0.66666666666667 0.46955544932443 15.999 > 51 52 O 0.33333333333333 0.66666666666667 0.96955544932443 15.999 > 51 53 O 0.90795379783494 0.66940839229433 0.23105561164005 15.999 > 53 54 O 0.90795379783494 0.66940839229433 0.73105561164005 15.999 > 53 55 O 0.66940839229433 0.76145459445938 0.48105561164005 15.999 > 55 56 O 0.66940839229433 0.76145459445938 0.98105561164005 15.999 > 55 57 O 0.23854540554062 0.90795379783494 0.48105561164005 15.999 > 57 58 O 0.23854540554062 0.90795379783494 0.98105561164005 15.999 > 57 59 O 0.76145459445938 0.09204620216506 0.23105561164005 15.999 > 59 60 O 0.76145459445938 0.09204620216506 0.73105561164005 15.999 > 59 61 O 0.33059160770567 0.23854540554062 0.23105561164005 15.999 > 61 62 O 0.33059160770567 0.23854540554062 0.73105561164005 15.999 > 61 63 O 0.09204620216506 0.33059160770567 0.48105561164005 15.999 > 63 64 O 0.09204620216506 0.33059160770567 0.98105561164005 15.999 > 63 65 O 0.99651176368650 0.81471813650076 0.08563986592418 15.999 > 65 66 O 0.99651176368650 0.81471813650076 0.58563986592418 15.999 > 65 67 O 0.81471813650076 0.81820637281426 0.33563986592418 15.999 > 67 68 O 0.81471813650076 0.81820637281426 0.83563986592418 15.999 > 67 69 O 0.18179362718574 0.99651176368650 0.33563986592418 15.999 > 69 70 O 0.18179362718574 0.99651176368650 0.83563986592418 15.999 > 69 71 O 0.81820637281426 0.00348823631350 0.08563986592418 15.999 > 71 72 O 0.81820637281426 0.00348823631350 0.58563986592418 15.999 > 71 73 O 0.18528186349924 0.18179362718574 0.08563986592418 15.999 > 73 74 O 0.18528186349924 0.18179362718574 0.58563986592418 15.999 > 73 75 O 0.00348823631350 0.18528186349924 0.33563986592418 15.999 > 75 76 O 0.00348823631350 0.18528186349924 0.83563986592418 15.999 > 75 77 O 0.79289565587517 0.50763811688480 0.08417527738020 15.999 > 77 78 O 0.79289565587517 0.50763811688480 0.58417527738020 15.999 > 77 79 O 0.50763811688480 0.71474246100964 0.33417527738020 15.999 > 79 80 O 0.50763811688480 0.71474246100964 0.83417527738020 15.999 > 79 81 O 0.28525753899036 0.79289565587517 0.33417527738020 15.999 > 81 82 O 0.28525753899036 0.79289565587517 0.83417527738020 15.999 > 81 83 O 0.71474246100964 0.20710434412483 0.08417527738020 15.999 > 83 84 O 0.71474246100964 0.20710434412483 0.58417527738020 15.999 > 83 85 O 0.49236188311520 0.28525753899036 0.08417527738020 15.999 > 85 86 O 0.49236188311520 0.28525753899036 0.58417527738020 15.999 > 85 87 O 0.20710434412483 0.49236188311520 0.33417527738020 15.999 > 87 88 O 0.20710434412483 0.49236188311520 0.83417527738020 15.999 > 87 89 O 0.70179803624256 0.70783301781793 0.14010158697334 15.999 > 89 90 O 0.70179803624256 0.70783301781793 0.64010158697334 15.999 > 89 91 O 0.70783301781793 0.00603498157537 0.39010158697334 15.999 > 91 92 O 0.70783301781793 0.00603498157537 0.89010158697334 15.999 > 91 93 O 0.99396501842463 0.70179803624256 0.39010158697334 15.999 > 93 94 O 0.99396501842463 0.70179803624256 0.89010158697334 15.999 > 93 95 O 0.00603498157537 0.29820196375744 0.14010158697334 15.999 > 95 96 O 0.00603498157537 0.29820196375744 0.64010158697334 15.999 > 95 97 Cd 0.00000000000000 0.00000000000000 0.46766838835856 112.411 > 97 98 Cd 0.00000000000000 0.00000000000000 0.96766838835856 112.411 > 97 99 Cd 0.00000000000000 0.00000000000000 0.21766838835856 112.411 > 99 100 Cd 0.00000000000000 0.00000000000000 0.71766838835856 112.411 > 99 101 Cd 0.95635170745443 0.47982401755903 0.47940154161944 112.411 > 101 102 Cd 0.95635170745443 0.47982401755903 0.97940154161944 112.411 > 101 103 Cd 0.47982401755903 0.52347231010460 0.22940154161944 112.411 > 103 104 Cd 0.47982401755903 0.52347231010460 0.72940154161944 112.411 > 103 105 Cd 0.47652768989540 0.95635170745443 0.22940154161944 112.411 > 105 106 Cd 0.47652768989540 0.95635170745443 0.72940154161944 112.411 > 105 107 Cd 0.52347231010460 0.04364829254557 0.47940154161944 112.411 > 107 108 Cd 0.52347231010460 0.04364829254557 0.97940154161944 112.411 > 107 109 Cd 0.52017598244097 0.47652768989540 0.47940154161944 112.411 > 109 110 Cd 0.52017598244097 0.47652768989540 0.97940154161944 112.411 > 109 111 Cd 0.04364829254557 0.52017598244097 0.22940154161944 112.411 > 111 112 Cd 0.04364829254557 0.52017598244097 0.72940154161944 112.411 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6631585 -0.0000006 0.0000000 0.0000006 3.6631585 0.0000000 0.0000000 0.0000000 3.7308632 -------------------------- Born effective charges -------------------------- 1 B 2.4886265 0.1070186 0.0412798 -0.1048872 2.6343077 -0.0699747 0.1504513 -0.0495773 2.4636342 2 B 2.5988103 0.1685019 -0.0399599 -0.0434040 2.5241239 -0.0707367 0.0322905 -0.1550833 2.4636342 3 B 2.5969645 0.0423383 0.0812398 -0.1695676 2.5259698 0.0007621 0.1181609 0.1055060 2.4636342 4 B 2.5969645 0.0423383 -0.0812398 -0.1695676 2.5259698 -0.0007621 -0.1181609 -0.1055060 2.4636342 5 B 2.5988103 0.1685019 0.0399599 -0.0434040 2.5241239 0.0707367 -0.0322905 0.1550833 2.4636342 6 B 2.4886265 0.1070186 -0.0412798 -0.1048872 2.6343077 0.0699747 -0.1504513 0.0495773 2.4636342 7 B 2.4323258 -0.0666429 -0.0196422 0.1451623 2.6220819 0.0192977 -0.0329893 -0.1632945 2.4604319 8 B 2.6086428 -0.0433657 0.0068912 0.1684396 2.4457649 0.0266595 -0.1579118 -0.0530777 2.4604319 9 B 2.4241018 0.1371110 0.0000000 -0.1371110 2.4241018 0.0000000 0.0000000 0.0000000 2.7008799 10 B 2.4241018 0.1371110 0.0000000 -0.1371110 2.4241018 0.0000000 0.0000000 0.0000000 2.7008799 11 B 2.5375971 -0.1057712 0.0000000 0.1057712 2.5375971 0.0000000 0.0000000 0.0000000 2.6889940 12 B 2.5375971 -0.1057712 0.0000000 0.1057712 2.5375971 0.0000000 0.0000000 0.0000000 2.6889940 13 B 2.4323258 -0.0666429 0.0196422 0.1451623 2.6220819 -0.0192977 0.0329893 0.1632945 2.4604319 14 B 2.6086428 -0.0433657 -0.0068912 0.1684396 2.4457649 -0.0266595 0.1579118 0.0530777 2.4604319 15 B 2.5406430 -0.2076993 0.0265334 0.0041060 2.5137647 0.0073618 -0.1249225 0.1102168 2.4604319 16 B 2.5406430 -0.2076993 -0.0265334 0.0041060 2.5137647 -0.0073618 0.1249225 -0.1102168 2.4604319 17 O -1.5891996 0.1180294 -0.1928510 0.1522663 -2.4568206 -0.3787763 -0.1143457 -0.4225572 -1.5892436 18 O -2.3569568 0.2909986 0.2316044 0.3252354 -1.6890634 -0.3564020 0.3087725 -0.3103049 -1.5892436 19 O -2.1961342 0.3748954 0.1460070 0.4214494 -1.9466045 0.1545930 0.1997174 0.1353477 -1.5529008 20 O -1.6641595 -0.1143137 0.2068849 -0.0677596 -2.4785792 -0.0491493 0.2170733 -0.1052865 -1.5529008 21 O -2.3538143 -0.3304128 -0.0608779 -0.2838587 -1.7889244 0.2037423 -0.0173559 0.2406342 -1.5529008 22 O -2.3538143 -0.3304128 0.0608779 -0.2838587 -1.7889244 -0.2037423 0.0173559 -0.2406342 -1.5529008 23 O -1.6641595 -0.1143137 -0.2068849 -0.0677596 -2.4785792 0.0491493 -0.2170733 0.1052865 -1.5529008 24 O -2.1961342 0.3748954 -0.1460070 0.4214494 -1.9466045 -0.1545930 -0.1997174 -0.1353477 -1.5529008 25 O -1.3676316 0.0308343 0.0000000 -0.0308343 -1.3676316 0.0000000 0.0000000 0.0000000 -3.2565337 26 O -1.3676316 0.0308343 0.0000000 -0.0308343 -1.3676316 0.0000000 0.0000000 0.0000000 -3.2565337 27 O -1.5035221 0.1418684 -0.0015714 0.2147443 -1.4544083 0.0480995 0.0393382 0.0011456 -2.7407849 28 O -1.3122689 -0.1043242 0.0408696 -0.0314483 -1.6456615 0.0254106 0.0206612 -0.0334951 -2.7407849 29 O -1.6211046 -0.1468581 -0.0424411 -0.0739821 -1.3368258 0.0226888 0.0186770 0.0346407 -2.7407849 30 O -1.6211046 -0.1468581 0.0424411 -0.0739821 -1.3368258 -0.0226888 -0.0186770 -0.0346407 -2.7407849 31 O -1.3122689 -0.1043242 -0.0408696 -0.0314483 -1.6456615 -0.0254106 -0.0206612 0.0334951 -2.7407849 32 O -1.5035221 0.1418684 0.0015714 0.2147443 -1.4544083 -0.0480995 -0.0393382 -0.0011456 -2.7407849 33 O -2.2756846 -0.3508068 0.3527959 -0.4603245 -1.8308807 0.3031829 0.4055074 0.3218276 -1.5686084 34 O -2.2933119 0.4501474 0.4389621 0.3406297 -1.8132535 -0.1539387 0.4814645 -0.1902660 -1.5686084 35 O -1.5908515 0.0649359 -0.0861662 -0.0445817 -2.5157138 0.4571217 -0.0759571 0.5120935 -1.5686084 36 O -1.5908515 0.0649359 0.0861662 -0.0445817 -2.5157138 -0.4571217 0.0759571 -0.5120935 -1.5686084 37 O -2.2933119 0.4501474 -0.4389621 0.3406297 -1.8132535 0.1539387 -0.4814645 0.1902660 -1.5686084 38 O -2.2756846 -0.3508068 -0.3527959 -0.4603245 -1.8308807 -0.3031829 -0.4055074 -0.3218276 -1.5686084 39 O -1.5006191 -0.0524910 0.2341223 -0.0473678 -2.4497876 -0.0909871 0.1700610 -0.1273491 -1.6549921 40 O -2.2557356 -0.3885989 0.0382640 -0.3834757 -1.6946710 -0.2482494 -0.0252571 -0.2109517 -1.6549921 41 O -2.1692553 0.4334051 0.1958583 0.4385284 -1.7811514 0.1572623 0.1953181 0.0836025 -1.6549921 42 O -2.1692553 0.4334051 -0.1958583 0.4385284 -1.7811514 -0.1572623 -0.1953181 -0.0836025 -1.6549921 43 O -2.2557356 -0.3885989 -0.0382640 -0.3834757 -1.6946710 0.2482494 0.0252571 0.2109517 -1.6549921 44 O -1.5006191 -0.0524910 -0.2341223 -0.0473678 -2.4497876 0.0909871 -0.1700610 0.1273491 -1.6549921 45 O -2.3569568 0.2909986 -0.2316044 0.3252354 -1.6890634 0.3564020 -0.3087725 0.3103049 -1.5892436 46 O -1.5891996 0.1180294 0.1928510 0.1522663 -2.4568206 0.3787763 0.1143457 0.4225572 -1.5892436 47 O -2.1228739 -0.4603833 -0.4244554 -0.4261464 -1.9231463 -0.0223743 -0.4231181 -0.1122524 -1.5892436 48 O -2.1228739 -0.4603833 0.4244554 -0.4261464 -1.9231463 0.0223743 0.4231181 0.1122524 -1.5892436 49 Cd 2.6166469 -0.0525499 0.0000000 0.0525499 2.6166469 0.0000000 0.0000000 0.0000000 2.7675924 50 Cd 2.6166469 -0.0525499 0.0000000 0.0525499 2.6166469 0.0000000 0.0000000 0.0000000 2.7675924 51 Cd 2.4299611 -0.0584395 -0.0323579 -0.1011953 2.4558821 -0.0154336 -0.0113024 0.0331762 2.5488195 52 Cd 2.3802780 0.0725107 -0.0295448 0.0297549 2.5055652 0.0203060 0.0230802 0.0263762 2.5488195 53 Cd 2.5185257 0.0500624 -0.0028131 0.0073066 2.3673175 -0.0357395 -0.0343826 0.0068000 2.5488195 54 Cd 2.5185257 0.0500624 0.0028131 0.0073066 2.3673175 0.0357395 0.0343826 -0.0068000 2.5488195 55 Cd 2.3802780 0.0725107 0.0295448 0.0297549 2.5055652 -0.0203060 -0.0230802 -0.0263762 2.5488195 56 Cd 2.4299611 -0.0584395 0.0323579 -0.1011953 2.4558821 0.0154336 0.0113024 -0.0331762 2.5488195 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (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 00:17:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:17:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3 (173) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.885208710909323 0.000000000000000 0.000000000000000 b -4.442604355454661 7.694816461574257 0.000000000000000 c 0.000000000000000 0.000000000000000 7.177769250000000 Atomic positions (fractional): 1 B 0.82330107024540 0.15236150859139 0.65480367964248 10.811 2 B 0.15236150859139 0.32906043834598 0.15480367964248 10.811 3 B 0.67093956165402 0.82330107024540 0.15480367964248 10.811 4 B 0.32906043834598 0.17669892975460 0.65480367964248 10.811 5 B 0.84763849140861 0.67093956165402 0.65480367964248 10.811 6 B 0.17669892975460 0.84763849140861 0.15480367964248 10.811 7 B 0.15301191875053 0.32724769912653 0.76842968954511 10.811 8 B 0.32724769912653 0.17423578037600 0.26842968954511 10.811 9 B 0.66666666666667 0.33333333333333 0.24608349270351 10.811 10 B 0.33333333333333 0.66666666666667 0.74608349270351 10.811 11 B 0.66666666666667 0.33333333333333 0.63419847433034 10.811 12 B 0.33333333333333 0.66666666666667 0.13419847433034 10.811 13 B 0.84698808124947 0.67275230087348 0.26842968954511 10.811 14 B 0.67275230087348 0.82576421962400 0.76842968954511 10.811 15 B 0.17423578037600 0.84698808124947 0.76842968954511 10.811 16 B 0.82576421962400 0.15301191875053 0.26842968954511 10.811 17 O 0.29216698218207 0.99396501842463 0.28020317394669 15.999 18 O 0.29820196375744 0.29216698218207 0.78020317394669 15.999 19 O 0.18955496823027 0.69290897527872 0.20577797960472 15.999 20 O 0.69290897527872 0.50335400704846 0.70577797960472 15.999 21 O 0.49664599295154 0.18955496823027 0.70577797960472 15.999 22 O 0.50335400704846 0.81044503176973 0.20577797960472 15.999 23 O 0.30709102472127 0.49664599295154 0.20577797960472 15.999 24 O 0.81044503176973 0.30709102472127 0.70577797960472 15.999 25 O 0.66666666666667 0.33333333333333 0.43911089864887 15.999 26 O 0.33333333333333 0.66666666666667 0.93911089864887 15.999 27 O 0.90795379783494 0.66940839229433 0.46211122328011 15.999 28 O 0.66940839229433 0.76145459445938 0.96211122328011 15.999 29 O 0.23854540554062 0.90795379783494 0.96211122328011 15.999 30 O 0.76145459445938 0.09204620216506 0.46211122328011 15.999 31 O 0.33059160770567 0.23854540554062 0.46211122328011 15.999 32 O 0.09204620216506 0.33059160770567 0.96211122328011 15.999 33 O 0.99651176368650 0.81471813650076 0.17127973184836 15.999 34 O 0.81471813650076 0.81820637281426 0.67127973184836 15.999 35 O 0.18179362718574 0.99651176368650 0.67127973184836 15.999 36 O 0.81820637281426 0.00348823631350 0.17127973184836 15.999 37 O 0.18528186349924 0.18179362718574 0.17127973184836 15.999 38 O 0.00348823631350 0.18528186349924 0.67127973184836 15.999 39 O 0.79289565587517 0.50763811688480 0.16835055476040 15.999 40 O 0.50763811688480 0.71474246100964 0.66835055476040 15.999 41 O 0.28525753899036 0.79289565587517 0.66835055476040 15.999 42 O 0.71474246100964 0.20710434412483 0.16835055476040 15.999 43 O 0.49236188311520 0.28525753899036 0.16835055476040 15.999 44 O 0.20710434412483 0.49236188311520 0.66835055476040 15.999 45 O 0.70179803624256 0.70783301781793 0.28020317394669 15.999 46 O 0.70783301781793 0.00603498157537 0.78020317394669 15.999 47 O 0.99396501842463 0.70179803624256 0.78020317394669 15.999 48 O 0.00603498157537 0.29820196375744 0.28020317394669 15.999 49 Cd 0.00000000000000 0.00000000000000 0.93533677671711 112.411 50 Cd 0.00000000000000 0.00000000000000 0.43533677671711 112.411 51 Cd 0.95635170745443 0.47982401755903 0.95880308323887 112.411 52 Cd 0.47982401755903 0.52347231010460 0.45880308323887 112.411 53 Cd 0.47652768989540 0.95635170745443 0.45880308323887 112.411 54 Cd 0.52347231010460 0.04364829254557 0.95880308323887 112.411 55 Cd 0.52017598244097 0.47652768989540 0.95880308323887 112.411 56 Cd 0.04364829254557 0.52017598244097 0.45880308323887 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.885208710909323 0.000000000000000 0.000000000000000 b -4.442604355454661 7.694816461574257 0.000000000000000 c 0.000000000000000 0.000000000000000 14.355538500000000 Atomic positions (fractional): 1 B 0.82330107024540 0.15236150859139 0.32740183982124 10.811 > 1 2 B 0.82330107024540 0.15236150859139 0.82740183982124 10.811 > 1 3 B 0.15236150859139 0.32906043834598 0.07740183982124 10.811 > 3 4 B 0.15236150859139 0.32906043834598 0.57740183982124 10.811 > 3 5 B 0.67093956165402 0.82330107024540 0.07740183982124 10.811 > 5 6 B 0.67093956165402 0.82330107024540 0.57740183982124 10.811 > 5 7 B 0.32906043834598 0.17669892975460 0.32740183982124 10.811 > 7 8 B 0.32906043834598 0.17669892975460 0.82740183982124 10.811 > 7 9 B 0.84763849140861 0.67093956165402 0.32740183982124 10.811 > 9 10 B 0.84763849140861 0.67093956165402 0.82740183982124 10.811 > 9 11 B 0.17669892975460 0.84763849140861 0.07740183982124 10.811 > 11 12 B 0.17669892975460 0.84763849140861 0.57740183982124 10.811 > 11 13 B 0.15301191875053 0.32724769912653 0.38421484477256 10.811 > 13 14 B 0.15301191875053 0.32724769912653 0.88421484477256 10.811 > 13 15 B 0.32724769912653 0.17423578037600 0.13421484477256 10.811 > 15 16 B 0.32724769912653 0.17423578037600 0.63421484477256 10.811 > 15 17 B 0.66666666666667 0.33333333333333 0.12304174635175 10.811 > 17 18 B 0.66666666666667 0.33333333333333 0.62304174635176 10.811 > 17 19 B 0.33333333333333 0.66666666666667 0.37304174635175 10.811 > 19 20 B 0.33333333333333 0.66666666666667 0.87304174635175 10.811 > 19 21 B 0.66666666666667 0.33333333333333 0.31709923716517 10.811 > 21 22 B 0.66666666666667 0.33333333333333 0.81709923716517 10.811 > 21 23 B 0.33333333333333 0.66666666666667 0.06709923716517 10.811 > 23 24 B 0.33333333333333 0.66666666666667 0.56709923716517 10.811 > 23 25 B 0.84698808124947 0.67275230087348 0.13421484477256 10.811 > 25 26 B 0.84698808124947 0.67275230087348 0.63421484477256 10.811 > 25 27 B 0.67275230087348 0.82576421962400 0.38421484477256 10.811 > 27 28 B 0.67275230087348 0.82576421962400 0.88421484477256 10.811 > 27 29 B 0.17423578037600 0.84698808124947 0.38421484477256 10.811 > 29 30 B 0.17423578037600 0.84698808124947 0.88421484477256 10.811 > 29 31 B 0.82576421962400 0.15301191875053 0.13421484477256 10.811 > 31 32 B 0.82576421962400 0.15301191875053 0.63421484477256 10.811 > 31 33 O 0.29216698218207 0.99396501842463 0.14010158697334 15.999 > 33 34 O 0.29216698218207 0.99396501842463 0.64010158697334 15.999 > 33 35 O 0.29820196375744 0.29216698218207 0.39010158697334 15.999 > 35 36 O 0.29820196375744 0.29216698218207 0.89010158697334 15.999 > 35 37 O 0.18955496823027 0.69290897527872 0.10288898980236 15.999 > 37 38 O 0.18955496823027 0.69290897527872 0.60288898980236 15.999 > 37 39 O 0.69290897527872 0.50335400704846 0.35288898980236 15.999 > 39 40 O 0.69290897527872 0.50335400704846 0.85288898980236 15.999 > 39 41 O 0.49664599295154 0.18955496823027 0.35288898980236 15.999 > 41 42 O 0.49664599295154 0.18955496823027 0.85288898980236 15.999 > 41 43 O 0.50335400704846 0.81044503176973 0.10288898980236 15.999 > 43 44 O 0.50335400704846 0.81044503176973 0.60288898980236 15.999 > 43 45 O 0.30709102472127 0.49664599295154 0.10288898980236 15.999 > 45 46 O 0.30709102472127 0.49664599295154 0.60288898980236 15.999 > 45 47 O 0.81044503176973 0.30709102472127 0.35288898980236 15.999 > 47 48 O 0.81044503176973 0.30709102472127 0.85288898980236 15.999 > 47 49 O 0.66666666666667 0.33333333333333 0.21955544932443 15.999 > 49 50 O 0.66666666666667 0.33333333333333 0.71955544932443 15.999 > 49 51 O 0.33333333333333 0.66666666666667 0.46955544932443 15.999 > 51 52 O 0.33333333333333 0.66666666666667 0.96955544932443 15.999 > 51 53 O 0.90795379783494 0.66940839229433 0.23105561164005 15.999 > 53 54 O 0.90795379783494 0.66940839229433 0.73105561164005 15.999 > 53 55 O 0.66940839229433 0.76145459445938 0.48105561164005 15.999 > 55 56 O 0.66940839229433 0.76145459445938 0.98105561164005 15.999 > 55 57 O 0.23854540554062 0.90795379783494 0.48105561164005 15.999 > 57 58 O 0.23854540554062 0.90795379783494 0.98105561164005 15.999 > 57 59 O 0.76145459445938 0.09204620216506 0.23105561164005 15.999 > 59 60 O 0.76145459445938 0.09204620216506 0.73105561164005 15.999 > 59 61 O 0.33059160770567 0.23854540554062 0.23105561164005 15.999 > 61 62 O 0.33059160770567 0.23854540554062 0.73105561164005 15.999 > 61 63 O 0.09204620216506 0.33059160770567 0.48105561164005 15.999 > 63 64 O 0.09204620216506 0.33059160770567 0.98105561164005 15.999 > 63 65 O 0.99651176368650 0.81471813650076 0.08563986592418 15.999 > 65 66 O 0.99651176368650 0.81471813650076 0.58563986592418 15.999 > 65 67 O 0.81471813650076 0.81820637281426 0.33563986592418 15.999 > 67 68 O 0.81471813650076 0.81820637281426 0.83563986592418 15.999 > 67 69 O 0.18179362718574 0.99651176368650 0.33563986592418 15.999 > 69 70 O 0.18179362718574 0.99651176368650 0.83563986592418 15.999 > 69 71 O 0.81820637281426 0.00348823631350 0.08563986592418 15.999 > 71 72 O 0.81820637281426 0.00348823631350 0.58563986592418 15.999 > 71 73 O 0.18528186349924 0.18179362718574 0.08563986592418 15.999 > 73 74 O 0.18528186349924 0.18179362718574 0.58563986592418 15.999 > 73 75 O 0.00348823631350 0.18528186349924 0.33563986592418 15.999 > 75 76 O 0.00348823631350 0.18528186349924 0.83563986592418 15.999 > 75 77 O 0.79289565587517 0.50763811688480 0.08417527738020 15.999 > 77 78 O 0.79289565587517 0.50763811688480 0.58417527738020 15.999 > 77 79 O 0.50763811688480 0.71474246100964 0.33417527738020 15.999 > 79 80 O 0.50763811688480 0.71474246100964 0.83417527738020 15.999 > 79 81 O 0.28525753899036 0.79289565587517 0.33417527738020 15.999 > 81 82 O 0.28525753899036 0.79289565587517 0.83417527738020 15.999 > 81 83 O 0.71474246100964 0.20710434412483 0.08417527738020 15.999 > 83 84 O 0.71474246100964 0.20710434412483 0.58417527738020 15.999 > 83 85 O 0.49236188311520 0.28525753899036 0.08417527738020 15.999 > 85 86 O 0.49236188311520 0.28525753899036 0.58417527738020 15.999 > 85 87 O 0.20710434412483 0.49236188311520 0.33417527738020 15.999 > 87 88 O 0.20710434412483 0.49236188311520 0.83417527738020 15.999 > 87 89 O 0.70179803624256 0.70783301781793 0.14010158697334 15.999 > 89 90 O 0.70179803624256 0.70783301781793 0.64010158697334 15.999 > 89 91 O 0.70783301781793 0.00603498157537 0.39010158697334 15.999 > 91 92 O 0.70783301781793 0.00603498157537 0.89010158697334 15.999 > 91 93 O 0.99396501842463 0.70179803624256 0.39010158697334 15.999 > 93 94 O 0.99396501842463 0.70179803624256 0.89010158697334 15.999 > 93 95 O 0.00603498157537 0.29820196375744 0.14010158697334 15.999 > 95 96 O 0.00603498157537 0.29820196375744 0.64010158697334 15.999 > 95 97 Cd 0.00000000000000 0.00000000000000 0.46766838835856 112.411 > 97 98 Cd 0.00000000000000 0.00000000000000 0.96766838835856 112.411 > 97 99 Cd 0.00000000000000 0.00000000000000 0.21766838835856 112.411 > 99 100 Cd 0.00000000000000 0.00000000000000 0.71766838835856 112.411 > 99 101 Cd 0.95635170745443 0.47982401755903 0.47940154161944 112.411 > 101 102 Cd 0.95635170745443 0.47982401755903 0.97940154161944 112.411 > 101 103 Cd 0.47982401755903 0.52347231010460 0.22940154161944 112.411 > 103 104 Cd 0.47982401755903 0.52347231010460 0.72940154161944 112.411 > 103 105 Cd 0.47652768989540 0.95635170745443 0.22940154161944 112.411 > 105 106 Cd 0.47652768989540 0.95635170745443 0.72940154161944 112.411 > 105 107 Cd 0.52347231010460 0.04364829254557 0.47940154161944 112.411 > 107 108 Cd 0.52347231010460 0.04364829254557 0.97940154161944 112.411 > 107 109 Cd 0.52017598244097 0.47652768989540 0.47940154161944 112.411 > 109 110 Cd 0.52017598244097 0.47652768989540 0.97940154161944 112.411 > 109 111 Cd 0.04364829254557 0.52017598244097 0.22940154161944 112.411 > 111 112 Cd 0.04364829254557 0.52017598244097 0.72940154161944 112.411 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6631585 -0.0000006 0.0000000 0.0000006 3.6631585 0.0000000 0.0000000 0.0000000 3.7308632 -------------------------- Born effective charges -------------------------- 1 B 2.4886265 0.1070186 0.0412798 -0.1048872 2.6343077 -0.0699747 0.1504513 -0.0495773 2.4636342 2 B 2.5988103 0.1685019 -0.0399599 -0.0434040 2.5241239 -0.0707367 0.0322905 -0.1550833 2.4636342 3 B 2.5969645 0.0423383 0.0812398 -0.1695676 2.5259698 0.0007621 0.1181609 0.1055060 2.4636342 4 B 2.5969645 0.0423383 -0.0812398 -0.1695676 2.5259698 -0.0007621 -0.1181609 -0.1055060 2.4636342 5 B 2.5988103 0.1685019 0.0399599 -0.0434040 2.5241239 0.0707367 -0.0322905 0.1550833 2.4636342 6 B 2.4886265 0.1070186 -0.0412798 -0.1048872 2.6343077 0.0699747 -0.1504513 0.0495773 2.4636342 7 B 2.4323258 -0.0666429 -0.0196422 0.1451623 2.6220819 0.0192977 -0.0329893 -0.1632945 2.4604319 8 B 2.6086428 -0.0433657 0.0068912 0.1684396 2.4457649 0.0266595 -0.1579118 -0.0530777 2.4604319 9 B 2.4241018 0.1371110 0.0000000 -0.1371110 2.4241018 0.0000000 0.0000000 0.0000000 2.7008799 10 B 2.4241018 0.1371110 0.0000000 -0.1371110 2.4241018 0.0000000 0.0000000 0.0000000 2.7008799 11 B 2.5375971 -0.1057712 0.0000000 0.1057712 2.5375971 0.0000000 0.0000000 0.0000000 2.6889940 12 B 2.5375971 -0.1057712 0.0000000 0.1057712 2.5375971 0.0000000 0.0000000 0.0000000 2.6889940 13 B 2.4323258 -0.0666429 0.0196422 0.1451623 2.6220819 -0.0192977 0.0329893 0.1632945 2.4604319 14 B 2.6086428 -0.0433657 -0.0068912 0.1684396 2.4457649 -0.0266595 0.1579118 0.0530777 2.4604319 15 B 2.5406430 -0.2076993 0.0265334 0.0041060 2.5137647 0.0073618 -0.1249225 0.1102168 2.4604319 16 B 2.5406430 -0.2076993 -0.0265334 0.0041060 2.5137647 -0.0073618 0.1249225 -0.1102168 2.4604319 17 O -1.5891996 0.1180294 -0.1928510 0.1522663 -2.4568206 -0.3787763 -0.1143457 -0.4225572 -1.5892436 18 O -2.3569568 0.2909986 0.2316044 0.3252354 -1.6890634 -0.3564020 0.3087725 -0.3103049 -1.5892436 19 O -2.1961342 0.3748954 0.1460070 0.4214494 -1.9466045 0.1545930 0.1997174 0.1353477 -1.5529008 20 O -1.6641595 -0.1143137 0.2068849 -0.0677596 -2.4785792 -0.0491493 0.2170733 -0.1052865 -1.5529008 21 O -2.3538143 -0.3304128 -0.0608779 -0.2838587 -1.7889244 0.2037423 -0.0173559 0.2406342 -1.5529008 22 O -2.3538143 -0.3304128 0.0608779 -0.2838587 -1.7889244 -0.2037423 0.0173559 -0.2406342 -1.5529008 23 O -1.6641595 -0.1143137 -0.2068849 -0.0677596 -2.4785792 0.0491493 -0.2170733 0.1052865 -1.5529008 24 O -2.1961342 0.3748954 -0.1460070 0.4214494 -1.9466045 -0.1545930 -0.1997174 -0.1353477 -1.5529008 25 O -1.3676316 0.0308343 0.0000000 -0.0308343 -1.3676316 0.0000000 0.0000000 0.0000000 -3.2565337 26 O -1.3676316 0.0308343 0.0000000 -0.0308343 -1.3676316 0.0000000 0.0000000 0.0000000 -3.2565337 27 O -1.5035221 0.1418684 -0.0015714 0.2147443 -1.4544083 0.0480995 0.0393382 0.0011456 -2.7407849 28 O -1.3122689 -0.1043242 0.0408696 -0.0314483 -1.6456615 0.0254106 0.0206612 -0.0334951 -2.7407849 29 O -1.6211046 -0.1468581 -0.0424411 -0.0739821 -1.3368258 0.0226888 0.0186770 0.0346407 -2.7407849 30 O -1.6211046 -0.1468581 0.0424411 -0.0739821 -1.3368258 -0.0226888 -0.0186770 -0.0346407 -2.7407849 31 O -1.3122689 -0.1043242 -0.0408696 -0.0314483 -1.6456615 -0.0254106 -0.0206612 0.0334951 -2.7407849 32 O -1.5035221 0.1418684 0.0015714 0.2147443 -1.4544083 -0.0480995 -0.0393382 -0.0011456 -2.7407849 33 O -2.2756846 -0.3508068 0.3527959 -0.4603245 -1.8308807 0.3031829 0.4055074 0.3218276 -1.5686084 34 O -2.2933119 0.4501474 0.4389621 0.3406297 -1.8132535 -0.1539387 0.4814645 -0.1902660 -1.5686084 35 O -1.5908515 0.0649359 -0.0861662 -0.0445817 -2.5157138 0.4571217 -0.0759571 0.5120935 -1.5686084 36 O -1.5908515 0.0649359 0.0861662 -0.0445817 -2.5157138 -0.4571217 0.0759571 -0.5120935 -1.5686084 37 O -2.2933119 0.4501474 -0.4389621 0.3406297 -1.8132535 0.1539387 -0.4814645 0.1902660 -1.5686084 38 O -2.2756846 -0.3508068 -0.3527959 -0.4603245 -1.8308807 -0.3031829 -0.4055074 -0.3218276 -1.5686084 39 O -1.5006191 -0.0524910 0.2341223 -0.0473678 -2.4497876 -0.0909871 0.1700610 -0.1273491 -1.6549921 40 O -2.2557356 -0.3885989 0.0382640 -0.3834757 -1.6946710 -0.2482494 -0.0252571 -0.2109517 -1.6549921 41 O -2.1692553 0.4334051 0.1958583 0.4385284 -1.7811514 0.1572623 0.1953181 0.0836025 -1.6549921 42 O -2.1692553 0.4334051 -0.1958583 0.4385284 -1.7811514 -0.1572623 -0.1953181 -0.0836025 -1.6549921 43 O -2.2557356 -0.3885989 -0.0382640 -0.3834757 -1.6946710 0.2482494 0.0252571 0.2109517 -1.6549921 44 O -1.5006191 -0.0524910 -0.2341223 -0.0473678 -2.4497876 0.0909871 -0.1700610 0.1273491 -1.6549921 45 O -2.3569568 0.2909986 -0.2316044 0.3252354 -1.6890634 0.3564020 -0.3087725 0.3103049 -1.5892436 46 O -1.5891996 0.1180294 0.1928510 0.1522663 -2.4568206 0.3787763 0.1143457 0.4225572 -1.5892436 47 O -2.1228739 -0.4603833 -0.4244554 -0.4261464 -1.9231463 -0.0223743 -0.4231181 -0.1122524 -1.5892436 48 O -2.1228739 -0.4603833 0.4244554 -0.4261464 -1.9231463 0.0223743 0.4231181 0.1122524 -1.5892436 49 Cd 2.6166469 -0.0525499 0.0000000 0.0525499 2.6166469 0.0000000 0.0000000 0.0000000 2.7675924 50 Cd 2.6166469 -0.0525499 0.0000000 0.0525499 2.6166469 0.0000000 0.0000000 0.0000000 2.7675924 51 Cd 2.4299611 -0.0584395 -0.0323579 -0.1011953 2.4558821 -0.0154336 -0.0113024 0.0331762 2.5488195 52 Cd 2.3802780 0.0725107 -0.0295448 0.0297549 2.5055652 0.0203060 0.0230802 0.0263762 2.5488195 53 Cd 2.5185257 0.0500624 -0.0028131 0.0073066 2.3673175 -0.0357395 -0.0343826 0.0068000 2.5488195 54 Cd 2.5185257 0.0500624 0.0028131 0.0073066 2.3673175 0.0357395 0.0343826 -0.0068000 2.5488195 55 Cd 2.3802780 0.0725107 0.0295448 0.0297549 2.5055652 -0.0203060 -0.0230802 -0.0263762 2.5488195 56 Cd 2.4299611 -0.0584395 0.0323579 -0.1011953 2.4558821 0.0154336 0.0113024 -0.0331762 2.5488195 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) 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 ... [ 6 6 7 ] 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: 0.53, Number of G-points: 283, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/32) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.047 ( -0.000 0.000 0.000) 0.000 2.047 ( 0.000 -0.000 -0.000) 0.000 2.519 ( -0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 -0.000 0.000) 0.000 2.564 ( 0.000 -0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 -0.000 0.000) 0.000 2.977 ( 0.000 0.000 -0.000) 0.000 3.160 ( -0.000 0.000 0.000) 0.000 3.434 ( -0.000 0.000 0.000) 0.000 3.517 ( 0.000 -0.000 0.000) 0.000 3.517 ( -0.000 0.000 -0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 -0.000) 0.000 3.823 ( -0.000 0.000 0.000) 0.000 3.843 ( -0.000 -0.000 0.000) 0.000 3.843 ( -0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.239 ( -0.000 -0.000 0.000) 0.000 4.404 ( 0.000 -0.000 -0.000) 0.000 4.404 ( 0.000 -0.000 0.000) 0.000 4.548 ( -0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.833 ( -0.000 0.000 0.000) 0.000 5.145 ( -0.000 0.000 0.000) 0.000 5.811 ( -0.000 0.000 0.000) 0.000 5.811 ( 0.000 -0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 -0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 -0.000 0.000) 0.000 6.429 ( -0.000 -0.000 0.000) 0.000 6.429 ( 0.000 -0.000 0.000) 0.000 6.496 ( -0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 -0.000 -0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.688 ( -0.000 0.000 0.000) 0.000 8.047 ( -0.000 0.000 -0.000) 0.000 8.607 ( -0.000 0.000 -0.000) 0.000 8.607 ( 0.000 -0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.577 ( -0.000 -0.000 0.000) 0.000 10.116 ( 0.000 0.000 -0.000) 0.000 10.116 ( -0.000 0.000 -0.000) 0.000 10.429 ( -0.000 -0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.090 ( -0.000 -0.000 0.000) 0.000 11.099 ( 0.000 -0.000 0.000) 0.000 11.099 ( 0.000 -0.000 0.000) 0.000 11.790 ( 0.000 0.000 -0.000) 0.000 11.936 ( 0.000 0.000 0.000) 0.000 12.191 ( 0.000 0.000 0.000) 0.000 12.191 ( 0.000 -0.000 0.000) 0.000 12.276 ( 0.000 -0.000 0.000) 0.000 12.276 ( -0.000 0.000 0.000) 0.000 13.083 ( 0.000 0.000 0.000) 0.000 13.408 ( 0.000 0.000 0.000) 0.000 13.408 ( 0.000 -0.000 0.000) 0.000 13.673 ( -0.000 0.000 -0.000) 0.000 13.673 ( 0.000 0.000 0.000) 0.000 13.831 ( -0.000 0.000 -0.000) 0.000 14.126 ( 0.000 0.000 0.000) 0.000 14.126 ( 0.000 0.000 0.000) 0.000 14.344 ( -0.000 0.000 0.000) 0.000 14.409 ( 0.000 -0.000 0.000) 0.000 14.409 ( 0.000 0.000 0.000) 0.000 14.921 ( 0.000 0.000 -0.000) 0.000 14.985 ( 0.000 0.000 0.000) 0.000 15.097 ( 0.000 0.000 -0.000) 0.000 15.935 ( -0.000 0.000 -0.000) 0.000 15.935 ( 0.000 0.000 0.000) 0.000 16.007 ( -0.000 0.000 0.000) 0.000 16.214 ( -0.000 0.000 0.000) 0.000 16.214 ( -0.000 0.000 0.000) 0.000 16.495 ( 0.000 0.000 0.000) 0.000 17.084 ( 0.000 0.000 0.000) 0.000 17.084 ( -0.000 -0.000 0.000) 0.000 17.189 ( 0.000 0.000 0.000) 0.000 17.189 ( -0.000 -0.000 -0.000) 0.000 17.243 ( 0.000 0.000 0.000) 0.000 17.438 ( 0.000 0.000 0.000) 0.000 17.438 ( -0.000 0.000 -0.000) 0.000 17.656 ( 0.000 0.000 -0.000) 0.000 17.828 ( -0.000 0.000 0.000) 0.000 18.380 ( 0.000 -0.000 0.000) 0.000 18.380 ( -0.000 0.000 0.000) 0.000 18.683 ( -0.000 0.000 0.000) 0.000 18.767 ( -0.000 0.000 -0.000) 0.000 18.767 ( -0.000 -0.000 0.000) 0.000 19.607 ( 0.000 0.000 0.000) 0.000 19.638 ( -0.000 0.000 0.000) 0.000 19.638 ( 0.000 0.000 0.000) 0.000 19.682 ( 0.000 0.000 0.000) 0.000 20.577 ( 0.000 0.000 0.000) 0.000 20.577 ( 0.000 0.000 0.000) 0.000 20.691 ( 0.000 -0.000 0.000) 0.000 20.691 ( -0.000 0.000 0.000) 0.000 20.748 ( 0.000 0.000 -0.000) 0.000 21.912 ( -0.000 0.000 0.000) 0.000 21.912 ( -0.000 0.000 -0.000) 0.000 22.375 ( 0.000 -0.000 -0.000) 0.000 22.375 ( 0.000 0.000 0.000) 0.000 22.749 ( 0.000 0.000 0.000) 0.000 23.280 ( -0.000 0.000 0.000) 0.000 23.886 ( 0.000 0.000 -0.000) 0.000 23.886 ( 0.000 0.000 -0.000) 0.000 24.211 ( 0.000 0.000 -0.000) 0.000 24.584 ( -0.000 0.000 0.000) 0.000 25.172 ( -0.000 0.000 0.000) 0.000 25.172 ( -0.000 -0.000 0.000) 0.000 25.417 ( -0.000 0.000 0.000) 0.000 25.589 ( -0.000 -0.000 -0.000) 0.000 25.589 ( -0.000 0.000 0.000) 0.000 25.707 ( 0.000 0.000 0.000) 0.000 25.707 ( -0.000 0.000 0.000) 0.000 25.758 ( -0.000 0.000 0.000) 0.000 25.758 ( 0.000 -0.000 0.000) 0.000 25.797 ( 0.000 0.000 0.000) 0.000 25.850 ( 0.000 0.000 -0.000) 0.000 25.850 ( -0.000 0.000 0.000) 0.000 26.218 ( 0.000 -0.000 0.000) 0.000 26.529 ( 0.000 0.000 0.000) 0.000 26.529 ( 0.000 -0.000 -0.000) 0.000 26.588 ( -0.000 0.000 -0.000) 0.000 26.588 ( 0.000 -0.000 0.000) 0.000 26.870 ( 0.000 0.000 0.000) 0.000 27.227 ( 0.000 0.000 -0.000) 0.000 27.733 ( 0.000 0.000 0.000) 0.000 27.733 ( 0.000 0.000 0.000) 0.000 27.971 ( 0.000 -0.000 0.000) 0.000 27.981 ( -0.000 0.000 -0.000) 0.000 27.981 ( 0.000 0.000 0.000) 0.000 28.139 ( 0.000 0.000 -0.000) 0.000 28.139 ( 0.000 -0.000 0.000) 0.000 28.582 ( -0.000 0.000 0.000) 0.000 28.758 ( -0.000 0.000 -0.000) 0.000 28.758 ( -0.000 0.000 0.000) 0.000 29.105 ( 0.000 0.000 -0.000) 0.000 29.297 ( 0.000 0.000 0.000) 0.000 29.297 ( 0.000 0.000 0.000) 0.000 29.719 ( 0.000 0.000 -0.000) 0.000 29.719 ( 0.000 0.000 0.000) 0.000 29.890 ( 0.000 0.000 0.000) 0.000 30.154 ( 0.000 -0.000 -0.000) 0.000 30.530 ( -0.000 0.000 -0.000) 0.000 30.940 ( 0.000 -0.000 -0.000) 0.000 30.940 ( 0.000 0.000 0.000) 0.000 30.974 ( 0.000 -0.000 -0.000) 0.000 30.974 ( 0.000 0.000 0.000) 0.000 31.203 ( 0.000 0.000 0.000) 0.000 31.549 ( 0.000 0.000 0.000) 0.000 31.689 ( -0.000 -0.000 0.000) 0.000 31.689 ( -0.000 0.000 0.000) 0.000 32.494 ( 0.000 0.000 0.000) 0.000 33.137 ( -0.000 0.000 0.000) 0.000 33.137 ( -0.000 0.000 0.000) 0.000 33.441 ( -0.000 0.000 0.000) 0.000 33.600 ( -0.000 0.000 0.000) 0.000 38.946 ( 0.000 0.000 -0.000) 0.000 39.231 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/32) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 32.917 19.024 0.000) 38.019 0.879 ( 31.746 18.486 0.000) 36.736 1.521 ( 50.501 29.154 0.000) 58.312 2.104 ( 3.025 2.181 0.000) 3.729 2.146 ( 8.495 4.430 0.000) 9.580 2.525 ( -1.986 -1.207 0.000) 2.324 2.551 ( 1.500 2.199 0.000) 2.662 2.595 ( 5.794 -0.554 0.000) 5.820 2.627 ( 2.837 4.460 0.000) 5.286 2.691 ( 3.452 1.680 0.000) 3.839 2.935 ( 2.879 -2.437 0.000) 3.772 2.970 ( 0.197 4.996 0.000) 5.000 3.030 ( 4.493 1.680 0.000) 4.797 3.156 ( -0.590 -0.199 0.000) 0.623 3.392 ( -4.791 0.478 0.000) 4.815 3.487 ( 2.330 -3.397 0.000) 4.119 3.590 ( 3.058 3.681 0.000) 4.786 3.701 ( 5.248 2.349 0.000) 5.750 3.735 ( -2.208 -2.823 0.000) 3.584 3.867 ( -4.419 6.989 0.000) 8.269 3.901 ( 8.005 -3.373 0.000) 8.687 4.002 ( 1.081 2.038 0.000) 2.307 4.092 ( -2.440 -2.355 0.000) 3.391 4.259 ( 2.296 1.436 0.000) 2.708 4.460 ( 0.099 0.658 0.000) 0.665 4.514 ( 9.859 2.879 0.000) 10.271 4.684 ( 12.024 8.827 0.000) 14.916 4.908 ( 3.684 2.997 0.000) 4.749 5.180 ( 4.015 0.915 0.000) 4.118 5.221 ( 0.435 0.656 0.000) 0.787 5.756 ( -2.331 -0.915 0.000) 2.505 5.962 ( 3.548 10.319 0.000) 10.912 5.975 ( 12.532 -2.552 0.000) 12.789 6.279 ( 1.239 3.194 0.000) 3.426 6.365 ( -2.063 1.215 0.000) 2.394 6.423 ( 2.185 -2.234 0.000) 3.125 6.502 ( 6.092 3.468 0.000) 7.010 6.530 ( 1.311 0.260 0.000) 1.337 6.894 ( 6.677 4.498 0.000) 8.051 7.163 ( -2.957 -1.646 0.000) 3.385 7.444 ( 2.714 1.701 0.000) 3.203 7.717 ( 3.319 0.658 0.000) 3.384 7.758 ( 0.925 1.328 0.000) 1.618 8.051 ( -0.389 -0.156 0.000) 0.419 8.643 ( 3.286 1.696 0.000) 3.698 8.659 ( 3.134 1.971 0.000) 3.702 9.094 ( -5.313 -3.552 0.000) 6.391 9.168 ( -5.523 -2.476 0.000) 6.053 9.374 ( 1.729 0.702 0.000) 1.866 9.577 ( 0.363 0.060 0.000) 0.368 10.071 ( -4.580 -0.766 0.000) 4.643 10.109 ( -8.667 -6.043 0.000) 10.566 10.226 ( -7.695 -4.691 0.000) 9.012 10.775 ( -13.352 -19.703 0.000) 23.801 10.860 ( -18.995 4.646 0.000) 19.555 11.139 ( -1.529 -5.657 0.000) 5.860 11.190 ( 0.590 0.980 0.000) 1.144 11.455 ( -16.942 -9.232 0.000) 19.294 11.900 ( -3.199 -5.768 0.000) 6.596 12.057 ( -3.354 0.268 0.000) 3.365 12.147 ( -2.306 0.574 0.000) 2.376 12.389 ( 0.751 3.830 0.000) 3.903 12.478 ( 10.153 1.646 0.000) 10.286 13.106 ( -6.889 -4.994 0.000) 8.509 13.187 ( -16.531 -7.504 0.000) 18.155 13.311 ( 1.664 -4.301 0.000) 4.612 13.437 ( -17.755 -0.564 0.000) 17.764 13.554 ( -4.682 -7.931 0.000) 9.210 13.838 ( 3.914 0.599 0.000) 3.960 14.091 ( -12.215 2.098 0.000) 12.394 14.226 ( -7.697 -1.152 0.000) 7.783 14.261 ( 10.014 -13.626 0.000) 16.910 14.335 ( -6.915 5.169 0.000) 8.634 14.381 ( 4.204 1.187 0.000) 4.369 14.955 ( -1.084 -0.171 0.000) 1.097 15.144 ( 6.410 10.737 0.000) 12.505 15.202 ( 14.312 0.394 0.000) 14.318 15.702 ( -8.938 -8.127 0.000) 12.080 15.810 ( -14.817 1.601 0.000) 14.903 16.072 ( 3.818 -11.121 0.000) 11.758 16.168 ( 2.401 7.806 0.000) 8.167 16.534 ( 10.998 10.831 0.000) 15.436 16.663 ( 7.202 -0.368 0.000) 7.212 16.793 ( -9.190 -6.074 0.000) 11.016 16.900 ( -4.418 -4.781 0.000) 6.510 17.257 ( -4.541 10.965 0.000) 11.868 17.375 ( 0.476 -1.387 0.000) 1.467 17.386 ( -1.702 -0.048 0.000) 1.703 17.446 ( 2.129 4.554 0.000) 5.027 17.555 ( 17.675 -6.617 0.000) 18.873 17.843 ( 12.179 7.782 0.000) 14.453 18.035 ( 15.272 11.321 0.000) 19.010 18.395 ( 0.085 8.567 0.000) 8.568 18.538 ( 15.655 0.272 0.000) 15.657 18.700 ( 2.260 3.264 0.000) 3.970 18.969 ( 15.524 8.658 0.000) 17.775 19.071 ( 16.627 9.180 0.000) 18.993 19.508 ( -5.701 -3.735 0.000) 6.815 19.637 ( 1.831 1.574 0.000) 2.415 19.743 ( 1.566 1.317 0.000) 2.047 19.804 ( 4.476 2.412 0.000) 5.084 20.476 ( -7.284 -5.916 0.000) 9.384 20.560 ( -3.689 1.788 0.000) 4.100 20.681 ( 0.769 -2.741 0.000) 2.847 20.700 ( -0.592 0.615 0.000) 0.853 20.830 ( 4.737 2.781 0.000) 5.493 21.759 ( -10.934 -5.777 0.000) 12.367 22.083 ( -7.223 -7.354 0.000) 10.308 22.172 ( -11.249 -3.852 0.000) 11.890 22.431 ( 3.779 2.290 0.000) 4.419 22.939 ( 9.362 5.116 0.000) 10.668 23.133 ( -12.073 -6.709 0.000) 13.812 23.612 ( -19.654 -11.098 0.000) 22.571 23.767 ( -7.826 -5.149 0.000) 9.368 24.144 ( -3.931 -1.961 0.000) 4.393 24.551 ( -3.675 -2.329 0.000) 4.351 25.091 ( -18.717 -10.590 0.000) 21.505 25.109 ( -6.910 -3.198 0.000) 7.614 25.267 ( 7.045 2.968 0.000) 7.645 25.605 ( 0.338 0.869 0.000) 0.932 25.640 ( -1.183 -2.112 0.000) 2.421 25.667 ( -0.174 0.906 0.000) 0.922 25.680 ( -2.104 -1.271 0.000) 2.458 25.771 ( 0.392 0.823 0.000) 0.912 25.809 ( 3.049 -0.419 0.000) 3.078 25.844 ( 5.391 4.383 0.000) 6.948 25.878 ( 1.928 1.867 0.000) 2.684 26.052 ( 2.301 0.908 0.000) 2.474 26.279 ( 4.134 2.311 0.000) 4.736 26.477 ( -4.330 -0.677 0.000) 4.383 26.553 ( -0.264 -4.821 0.000) 4.828 26.607 ( -0.618 3.076 0.000) 3.138 26.922 ( 3.711 1.605 0.000) 4.043 27.144 ( -9.802 -5.606 0.000) 11.292 27.397 ( 5.658 2.915 0.000) 6.365 27.602 ( -5.333 -4.030 0.000) 6.685 27.784 ( -6.183 -4.096 0.000) 7.417 28.077 ( 5.263 1.100 0.000) 5.377 28.110 ( 1.679 13.772 0.000) 13.873 28.155 ( 8.984 -2.384 0.000) 9.295 28.383 ( 10.212 4.673 0.000) 11.230 28.484 ( 0.540 0.236 0.000) 0.590 28.747 ( -2.687 3.861 0.000) 4.704 28.937 ( 13.724 -3.062 0.000) 14.062 29.165 ( 9.573 6.632 0.000) 11.646 29.249 ( 5.105 9.228 0.000) 10.546 29.355 ( 6.235 2.290 0.000) 6.643 29.690 ( -1.848 -1.319 0.000) 2.271 29.785 ( 5.356 2.902 0.000) 6.092 29.955 ( 6.156 3.530 0.000) 7.096 30.265 ( 7.661 4.476 0.000) 8.872 30.588 ( 2.300 1.497 0.000) 2.744 30.708 ( 3.202 1.406 0.000) 3.497 30.892 ( -0.182 -5.256 0.000) 5.259 30.916 ( -5.225 2.129 0.000) 5.642 31.004 ( 1.184 0.731 0.000) 1.391 31.187 ( -0.962 -0.378 0.000) 1.033 31.495 ( -5.135 -3.833 0.000) 6.407 31.545 ( -0.860 0.383 0.000) 0.941 31.637 ( -3.258 -2.106 0.000) 3.880 32.536 ( 3.023 1.747 0.000) 3.492 33.011 ( -9.880 -5.722 0.000) 11.418 33.132 ( -0.419 -0.193 0.000) 0.461 33.397 ( -3.036 -1.777 0.000) 3.518 33.528 ( -5.369 -3.126 0.000) 6.212 33.830 ( -5.348 -3.048 0.000) 6.156 38.958 ( 0.960 0.554 0.000) 1.109 39.209 ( -1.649 -0.952 0.000) 1.904 ======================= Grid point 2 (3/32) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 19.297 11.322 0.000) 22.373 1.603 ( 27.540 16.147 0.000) 31.925 2.118 ( 5.999 3.223 0.000) 6.810 2.147 ( 0.586 0.693 0.000) 0.908 2.358 ( -0.273 -0.396 0.000) 0.481 2.601 ( 0.611 2.794 0.000) 2.861 2.636 ( -0.328 -1.238 0.000) 1.281 2.662 ( 6.395 0.177 0.000) 6.398 2.761 ( 2.263 -0.501 0.000) 2.318 2.780 ( 3.342 5.410 0.000) 6.359 2.953 ( 1.745 -0.503 0.000) 1.816 3.075 ( 1.305 3.660 0.000) 3.886 3.094 ( 7.673 1.388 0.000) 7.797 3.169 ( 2.624 3.029 0.000) 4.008 3.403 ( 2.071 8.168 0.000) 8.427 3.522 ( 5.198 -4.893 0.000) 7.139 3.605 ( -2.959 -4.192 0.000) 5.131 3.689 ( 1.133 3.658 0.000) 3.830 3.778 ( -3.540 1.551 0.000) 3.865 3.927 ( 3.353 0.452 0.000) 3.384 3.973 ( 2.025 2.768 0.000) 3.430 4.053 ( 6.529 3.037 0.000) 7.201 4.132 ( 3.321 -0.599 0.000) 3.375 4.363 ( 4.346 0.791 0.000) 4.418 4.458 ( 2.431 3.512 0.000) 4.271 4.778 ( 11.700 -0.191 0.000) 11.701 4.986 ( 1.683 9.894 0.000) 10.036 5.032 ( 6.718 5.522 0.000) 8.696 5.249 ( 4.637 1.672 0.000) 4.929 5.304 ( 6.671 1.009 0.000) 6.747 5.744 ( 0.751 1.108 0.000) 1.338 6.066 ( 0.025 0.552 0.000) 0.553 6.098 ( 2.715 -2.326 0.000) 3.575 6.365 ( 0.544 3.668 0.000) 3.708 6.381 ( -6.784 -1.660 0.000) 6.984 6.457 ( 8.413 6.140 0.000) 10.416 6.587 ( 8.151 -0.560 0.000) 8.170 6.777 ( 13.355 5.698 0.000) 14.520 7.096 ( -1.133 9.245 0.000) 9.314 7.161 ( 13.320 2.159 0.000) 13.493 7.526 ( 2.887 4.311 0.000) 5.188 7.758 ( -0.524 0.356 0.000) 0.633 7.889 ( 9.620 0.270 0.000) 9.624 8.018 ( -1.401 -1.254 0.000) 1.881 8.694 ( -0.872 -4.227 0.000) 4.316 8.776 ( 4.888 6.505 0.000) 8.137 8.929 ( -8.187 -0.866 0.000) 8.233 9.125 ( 2.936 0.115 0.000) 2.938 9.308 ( -3.935 -8.510 0.000) 9.376 9.500 ( -22.434 -12.542 0.000) 25.702 9.603 ( -5.403 1.208 0.000) 5.537 9.965 ( -9.202 4.928 0.000) 10.439 10.174 ( -5.265 -7.051 0.000) 8.800 10.262 ( -12.197 -21.363 0.000) 24.600 10.552 ( -11.023 4.024 0.000) 11.734 10.921 ( -16.120 2.376 0.000) 16.294 11.161 ( 0.512 -11.237 0.000) 11.249 11.225 ( 0.625 -3.378 0.000) 3.436 11.651 ( -10.445 -11.528 0.000) 15.556 12.073 ( -1.314 8.074 0.000) 8.180 12.207 ( 3.364 3.479 0.000) 4.839 12.375 ( -2.245 0.709 0.000) 2.355 12.502 ( -4.934 -8.363 0.000) 9.710 12.830 ( -4.773 -6.212 0.000) 7.834 12.847 ( -9.549 -5.601 0.000) 11.071 13.154 ( -11.240 -0.491 0.000) 11.250 13.358 ( -0.176 -0.446 0.000) 0.479 13.435 ( -1.912 -0.091 0.000) 1.914 13.826 ( -2.254 -6.182 0.000) 6.580 13.935 ( -7.636 8.880 0.000) 11.712 14.049 ( -2.374 -9.394 0.000) 9.689 14.167 ( -1.003 -5.910 0.000) 5.995 14.369 ( 2.917 0.494 0.000) 2.958 14.606 ( 9.040 8.107 0.000) 12.143 14.900 ( -1.795 -0.956 0.000) 2.034 15.301 ( -0.204 -12.161 0.000) 12.162 15.360 ( -3.708 9.101 0.000) 9.827 15.513 ( -1.665 3.523 0.000) 3.896 15.720 ( 4.151 2.505 0.000) 4.848 16.044 ( 1.401 -2.444 0.000) 2.817 16.266 ( 2.138 -1.730 0.000) 2.750 16.473 ( -6.537 -2.339 0.000) 6.943 16.759 ( 1.747 -1.493 0.000) 2.298 16.861 ( 6.813 1.997 0.000) 7.099 16.975 ( 8.981 4.588 0.000) 10.085 17.146 ( -13.929 8.516 0.000) 16.326 17.315 ( -3.163 -0.820 0.000) 3.268 17.406 ( 2.105 -2.561 0.000) 3.315 17.549 ( 3.218 4.501 0.000) 5.533 17.759 ( 15.703 -9.358 0.000) 18.280 18.046 ( 1.929 3.569 0.000) 4.057 18.539 ( 15.853 8.649 0.000) 18.059 18.588 ( -0.445 12.776 0.000) 12.784 18.759 ( 10.799 9.727 0.000) 14.534 18.988 ( 21.989 5.554 0.000) 22.679 19.259 ( -2.377 -7.816 0.000) 8.169 19.386 ( 13.840 2.968 0.000) 14.155 19.466 ( -0.052 3.622 0.000) 3.623 19.738 ( 9.200 12.171 0.000) 15.256 19.889 ( 3.291 0.406 0.000) 3.316 19.985 ( 16.326 9.906 0.000) 19.097 20.230 ( -10.987 -9.842 0.000) 14.750 20.453 ( -8.715 2.245 0.000) 8.999 20.578 ( -8.254 -5.589 0.000) 9.969 20.774 ( 7.983 1.888 0.000) 8.204 20.997 ( 9.526 4.464 0.000) 10.520 21.483 ( -9.421 -6.110 0.000) 11.228 21.800 ( -13.754 -10.172 0.000) 17.107 21.938 ( -7.867 -1.587 0.000) 8.025 22.519 ( -0.516 3.105 0.000) 3.148 22.722 ( -12.362 -13.115 0.000) 18.023 22.931 ( -21.665 -7.844 0.000) 23.041 23.242 ( 2.658 -1.461 0.000) 3.033 23.577 ( -6.190 -3.193 0.000) 6.965 24.075 ( -1.555 -0.205 0.000) 1.569 24.409 ( -5.652 -4.264 0.000) 7.080 24.643 ( -14.965 -8.588 0.000) 17.255 24.905 ( -8.664 -3.529 0.000) 9.355 25.489 ( 9.644 3.218 0.000) 10.166 25.593 ( -0.759 -0.671 0.000) 1.013 25.610 ( -0.799 0.761 0.000) 1.103 25.652 ( 0.793 1.481 0.000) 1.680 25.684 ( 0.918 -0.416 0.000) 1.008 25.784 ( 0.005 0.813 0.000) 0.813 25.900 ( 6.000 -0.066 0.000) 6.000 25.956 ( 2.862 4.226 0.000) 5.104 25.987 ( 3.198 4.041 0.000) 5.153 26.119 ( 3.809 0.027 0.000) 3.809 26.375 ( -4.926 0.713 0.000) 4.977 26.390 ( 2.474 0.593 0.000) 2.544 26.483 ( -1.214 -5.407 0.000) 5.542 26.614 ( -2.387 2.885 0.000) 3.745 26.785 ( -12.860 -8.009 0.000) 15.150 27.019 ( 4.097 1.347 0.000) 4.313 27.510 ( -3.142 -1.418 0.000) 3.447 27.527 ( 2.797 -1.481 0.000) 3.165 27.656 ( -1.879 -1.041 0.000) 2.148 28.174 ( 2.250 3.823 0.000) 4.436 28.236 ( 4.799 -1.524 0.000) 5.035 28.331 ( 1.918 14.757 0.000) 14.882 28.510 ( 6.534 -4.538 0.000) 7.956 28.625 ( 0.722 2.426 0.000) 2.531 28.796 ( 6.200 3.674 0.000) 7.207 29.143 ( 14.349 -8.500 0.000) 16.678 29.333 ( -4.599 9.057 0.000) 10.158 29.410 ( 9.785 1.424 0.000) 9.888 29.554 ( -1.875 13.777 0.000) 13.904 29.692 ( 8.148 -0.538 0.000) 8.166 29.937 ( 6.547 0.783 0.000) 6.594 30.222 ( 13.925 8.291 0.000) 16.207 30.402 ( 1.795 0.495 0.000) 1.862 30.522 ( -6.502 -3.755 0.000) 7.508 30.799 ( 0.915 0.381 0.000) 0.991 30.854 ( -1.860 -0.032 0.000) 1.861 30.924 ( 5.231 0.028 0.000) 5.231 31.010 ( -0.909 1.737 0.000) 1.961 31.175 ( -1.022 -2.350 0.000) 2.562 31.355 ( -5.962 -0.094 0.000) 5.963 31.522 ( 1.552 -0.798 0.000) 1.745 31.622 ( 4.398 2.272 0.000) 4.950 32.618 ( 2.104 2.610 0.000) 3.353 32.667 ( -15.829 -10.764 0.000) 19.143 33.118 ( -0.958 0.299 0.000) 1.004 33.340 ( -0.256 -0.523 0.000) 0.582 33.365 ( -6.235 -3.991 0.000) 7.403 33.652 ( -8.346 -4.544 0.000) 9.503 38.992 ( 1.654 0.955 0.000) 1.910 39.156 ( -2.341 -1.352 0.000) 2.703 ======================= Grid point 3 (4/32) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 -0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 -0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 -0.000 0.000) 0.000 2.794 ( -0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 -0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.540 ( -0.000 0.000 0.000) 0.000 3.542 ( 0.000 -0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 -0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 -0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.162 ( -0.000 -0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.747 ( -0.000 -0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.996 ( -0.000 -0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 -0.000 0.000) 0.000 9.101 ( -0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.934 ( -0.000 -0.000 0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 -0.000 0.000) 0.000 12.232 ( 0.000 0.000 0.000) 0.000 12.310 ( 0.000 0.000 0.000) 0.000 12.432 ( 0.000 0.000 0.000) 0.000 12.734 ( 0.000 0.000 0.000) 0.000 12.758 ( 0.000 0.000 0.000) 0.000 13.029 ( 0.000 0.000 0.000) 0.000 13.342 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 -0.000 0.000) 0.000 13.736 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 -0.000 0.000) 0.000 13.962 ( -0.000 0.000 0.000) 0.000 14.132 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 14.972 ( 0.000 0.000 0.000) 0.000 15.064 ( 0.000 0.000 0.000) 0.000 15.413 ( 0.000 -0.000 0.000) 0.000 15.516 ( 0.000 0.000 0.000) 0.000 15.809 ( 0.000 0.000 0.000) 0.000 16.063 ( 0.000 0.000 0.000) 0.000 16.241 ( 0.000 0.000 0.000) 0.000 16.414 ( 0.000 0.000 0.000) 0.000 16.762 ( 0.000 0.000 0.000) 0.000 17.010 ( -0.000 0.000 0.000) 0.000 17.015 ( 0.000 -0.000 0.000) 0.000 17.071 ( 0.000 0.000 0.000) 0.000 17.270 ( 0.000 0.000 0.000) 0.000 17.406 ( 0.000 0.000 0.000) 0.000 17.624 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 -0.000 0.000) 0.000 18.062 ( 0.000 0.000 0.000) 0.000 18.549 ( 0.000 0.000 0.000) 0.000 18.861 ( 0.000 -0.000 0.000) 0.000 18.936 ( 0.000 0.000 0.000) 0.000 19.158 ( 0.000 0.000 0.000) 0.000 19.333 ( 0.000 -0.000 0.000) 0.000 19.399 ( 0.000 0.000 0.000) 0.000 19.732 ( 0.000 0.000 0.000) 0.000 19.740 ( -0.000 -0.000 0.000) 0.000 19.931 ( -0.000 0.000 0.000) 0.000 20.093 ( 0.000 0.000 0.000) 0.000 20.245 ( 0.000 0.000 0.000) 0.000 20.309 ( -0.000 -0.000 0.000) 0.000 20.515 ( 0.000 0.000 0.000) 0.000 20.901 ( 0.000 0.000 0.000) 0.000 21.214 ( 0.000 0.000 0.000) 0.000 21.246 ( 0.000 -0.000 0.000) 0.000 21.546 ( 0.000 0.000 0.000) 0.000 21.875 ( 0.000 0.000 0.000) 0.000 22.408 ( 0.000 -0.000 0.000) 0.000 22.538 ( 0.000 0.000 0.000) 0.000 22.656 ( 0.000 0.000 0.000) 0.000 23.297 ( 0.000 0.000 0.000) 0.000 23.494 ( 0.000 0.000 0.000) 0.000 24.073 ( 0.000 0.000 0.000) 0.000 24.318 ( 0.000 0.000 0.000) 0.000 24.438 ( 0.000 0.000 0.000) 0.000 24.791 ( 0.000 0.000 0.000) 0.000 25.570 ( 0.000 0.000 0.000) 0.000 25.586 ( -0.000 0.000 0.000) 0.000 25.607 ( 0.000 0.000 0.000) 0.000 25.690 ( 0.000 0.000 0.000) 0.000 25.751 ( 0.000 0.000 0.000) 0.000 25.767 ( -0.000 -0.000 0.000) 0.000 25.996 ( 0.000 -0.000 0.000) 0.000 26.006 ( -0.000 0.000 0.000) 0.000 26.095 ( 0.000 0.000 0.000) 0.000 26.142 ( -0.000 -0.000 0.000) 0.000 26.239 ( -0.000 -0.000 0.000) 0.000 26.405 ( 0.000 0.000 0.000) 0.000 26.411 ( 0.000 -0.000 0.000) 0.000 26.610 ( 0.000 0.000 0.000) 0.000 26.664 ( 0.000 0.000 0.000) 0.000 27.071 ( 0.000 0.000 0.000) 0.000 27.410 ( 0.000 0.000 0.000) 0.000 27.585 ( -0.000 0.000 0.000) 0.000 27.635 ( 0.000 0.000 0.000) 0.000 28.207 ( 0.000 0.000 0.000) 0.000 28.303 ( 0.000 0.000 0.000) 0.000 28.438 ( 0.000 0.000 0.000) 0.000 28.558 ( 0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 28.905 ( 0.000 0.000 0.000) 0.000 29.278 ( 0.000 -0.000 0.000) 0.000 29.295 ( -0.000 0.000 0.000) 0.000 29.502 ( 0.000 0.000 0.000) 0.000 29.601 ( 0.000 0.000 0.000) 0.000 29.846 ( 0.000 -0.000 0.000) 0.000 29.996 ( 0.000 0.000 0.000) 0.000 30.386 ( 0.000 -0.000 0.000) 0.000 30.403 ( -0.000 0.000 0.000) 0.000 30.566 ( -0.000 -0.000 0.000) 0.000 30.641 ( 0.000 0.000 0.000) 0.000 30.886 ( 0.000 0.000 0.000) 0.000 30.923 ( 0.000 0.000 0.000) 0.000 31.042 ( 0.000 0.000 0.000) 0.000 31.189 ( 0.000 0.000 0.000) 0.000 31.239 ( -0.000 0.000 0.000) 0.000 31.550 ( 0.000 0.000 0.000) 0.000 31.808 ( 0.000 0.000 0.000) 0.000 32.348 ( 0.000 -0.000 0.000) 0.000 32.653 ( 0.000 0.000 0.000) 0.000 33.116 ( 0.000 -0.000 0.000) 0.000 33.257 ( 0.000 0.000 0.000) 0.000 33.393 ( 0.000 0.000 0.000) 0.000 33.490 ( -0.000 -0.000 0.000) 0.000 39.022 ( 0.000 0.000 0.000) 0.000 39.117 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/32) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 17.443 29.800 0.000) 34.530 1.440 ( 15.310 26.501 0.000) 30.605 2.035 ( 5.698 8.309 0.000) 10.075 2.192 ( 1.958 5.193 0.000) 5.550 2.322 ( 2.504 3.530 0.000) 4.328 2.590 ( 2.071 -0.140 0.000) 2.076 2.603 ( 2.771 11.121 0.000) 11.461 2.651 ( 3.830 7.317 0.000) 8.258 2.725 ( 2.657 1.069 0.000) 2.864 2.772 ( 5.094 9.518 0.000) 10.795 2.936 ( -1.507 3.728 0.000) 4.022 3.038 ( 2.575 0.248 0.000) 2.587 3.084 ( 0.729 2.012 0.000) 2.140 3.148 ( 0.653 -0.477 0.000) 0.809 3.367 ( 4.588 -2.932 0.000) 5.444 3.516 ( -2.682 8.861 0.000) 9.258 3.658 ( 2.229 1.645 0.000) 2.771 3.704 ( -5.923 -1.204 0.000) 6.045 3.787 ( 8.065 -3.954 0.000) 8.983 3.873 ( 3.371 6.840 0.000) 7.626 3.927 ( -0.689 0.547 0.000) 0.879 4.029 ( -0.069 1.293 0.000) 1.294 4.097 ( 0.534 4.732 0.000) 4.762 4.355 ( 3.180 6.911 0.000) 7.608 4.458 ( 1.187 -0.813 0.000) 1.438 4.663 ( 2.765 13.229 0.000) 13.515 4.915 ( 5.536 2.367 0.000) 6.021 5.010 ( 6.711 6.844 0.000) 9.585 5.253 ( 2.478 8.103 0.000) 8.473 5.291 ( 2.568 5.732 0.000) 6.281 5.761 ( 1.763 -0.049 0.000) 1.764 5.986 ( 0.958 6.620 0.000) 6.689 6.161 ( -0.769 5.634 0.000) 5.686 6.346 ( 6.318 -4.901 0.000) 7.996 6.452 ( 3.311 -5.346 0.000) 6.289 6.457 ( 2.483 9.324 0.000) 9.649 6.518 ( 2.621 6.363 0.000) 6.882 6.594 ( -1.544 12.945 0.000) 13.037 7.007 ( 4.798 1.184 0.000) 4.942 7.165 ( 3.058 5.679 0.000) 6.450 7.503 ( 3.861 3.299 0.000) 5.078 7.733 ( -0.282 0.340 0.000) 0.441 7.851 ( 0.499 7.190 0.000) 7.207 8.018 ( -1.482 -3.086 0.000) 3.424 8.696 ( -0.007 1.738 0.000) 1.739 8.748 ( 4.748 6.756 0.000) 8.257 9.016 ( -0.816 -8.991 0.000) 9.028 9.057 ( -4.387 -2.976 0.000) 5.301 9.323 ( -5.539 -4.289 0.000) 7.005 9.574 ( -1.963 -2.044 0.000) 2.833 9.772 ( -8.896 -20.687 0.000) 22.518 9.932 ( -2.350 -12.087 0.000) 12.314 10.241 ( -0.522 -0.426 0.000) 0.674 10.363 ( -17.926 -9.982 0.000) 20.518 10.673 ( -0.213 -20.194 0.000) 20.195 10.965 ( -0.414 -11.375 0.000) 11.383 11.174 ( -9.086 -3.536 0.000) 9.750 11.291 ( -2.451 1.950 0.000) 3.132 11.797 ( -12.588 -1.739 0.000) 12.707 11.998 ( 7.845 -6.791 0.000) 10.376 12.224 ( 5.393 -7.243 0.000) 9.030 12.302 ( -2.848 4.919 0.000) 5.684 12.532 ( -5.944 -3.769 0.000) 7.038 12.892 ( -9.633 -8.276 0.000) 12.700 13.013 ( -3.765 -11.879 0.000) 12.461 13.070 ( -4.108 -8.367 0.000) 9.321 13.423 ( 5.319 -5.023 0.000) 7.316 13.567 ( -4.024 -0.886 0.000) 4.120 13.721 ( -6.914 -5.557 0.000) 8.870 13.828 ( -3.110 -10.739 0.000) 11.180 14.085 ( -3.272 -2.316 0.000) 4.009 14.245 ( 2.370 -5.148 0.000) 5.667 14.380 ( -6.546 9.335 0.000) 11.402 14.647 ( 12.388 9.291 0.000) 15.485 14.859 ( -4.719 -5.531 0.000) 7.271 15.203 ( -0.908 1.141 0.000) 1.458 15.430 ( 4.292 11.038 0.000) 11.843 15.591 ( 1.262 -11.909 0.000) 11.975 15.675 ( 0.082 -2.085 0.000) 2.087 15.948 ( -3.623 3.092 0.000) 4.762 16.353 ( -5.441 1.285 0.000) 5.590 16.482 ( 3.110 -7.565 0.000) 8.179 16.702 ( -3.443 -0.639 0.000) 3.502 16.829 ( 0.952 8.626 0.000) 8.679 16.892 ( 5.262 6.881 0.000) 8.663 17.247 ( 11.078 -7.771 0.000) 13.532 17.349 ( -0.179 -2.655 0.000) 2.661 17.417 ( -1.729 3.964 0.000) 4.325 17.567 ( 9.605 3.742 0.000) 10.308 17.806 ( -21.368 22.155 0.000) 30.781 18.009 ( 13.800 9.363 0.000) 16.676 18.260 ( 13.178 8.772 0.000) 15.831 18.457 ( 8.787 2.998 0.000) 9.285 18.764 ( 3.194 5.581 0.000) 6.431 19.003 ( 13.610 20.319 0.000) 24.456 19.084 ( -2.874 9.292 0.000) 9.727 19.346 ( 0.670 6.803 0.000) 6.836 19.487 ( 3.746 5.473 0.000) 6.633 19.735 ( 9.321 -0.618 0.000) 9.342 19.802 ( 0.864 13.529 0.000) 13.557 19.898 ( 5.775 7.219 0.000) 9.244 20.360 ( -9.908 -6.060 0.000) 11.615 20.459 ( 5.410 -9.811 0.000) 11.204 20.628 ( -4.491 -4.246 0.000) 6.181 20.716 ( -0.222 2.893 0.000) 2.902 20.941 ( 3.159 7.370 0.000) 8.019 21.535 ( -6.195 -10.906 0.000) 12.543 21.894 ( -8.744 -10.345 0.000) 13.545 22.029 ( -1.936 -7.990 0.000) 8.222 22.520 ( 4.150 3.415 0.000) 5.375 22.742 ( -16.436 -23.429 0.000) 28.619 23.081 ( 3.641 1.901 0.000) 4.107 23.400 ( -6.839 -5.734 0.000) 8.924 23.537 ( -6.525 -13.415 0.000) 14.918 24.054 ( -1.938 -4.730 0.000) 5.111 24.364 ( -8.638 -13.776 0.000) 16.260 24.721 ( -11.487 -19.800 0.000) 22.891 25.130 ( 3.795 1.833 0.000) 4.215 25.346 ( 0.571 6.653 0.000) 6.678 25.595 ( -1.164 -1.633 0.000) 2.005 25.623 ( 0.530 -1.741 0.000) 1.820 25.635 ( -0.420 -0.798 0.000) 0.902 25.688 ( 0.102 2.032 0.000) 2.034 25.802 ( 2.459 0.085 0.000) 2.461 25.840 ( -0.889 4.616 0.000) 4.701 25.907 ( 2.492 2.212 0.000) 3.332 25.985 ( 5.396 5.931 0.000) 8.018 26.109 ( 0.700 4.215 0.000) 4.272 26.362 ( 2.074 4.181 0.000) 4.667 26.397 ( -0.873 -6.402 0.000) 6.461 26.501 ( -4.711 -0.366 0.000) 4.725 26.623 ( 2.505 -2.076 0.000) 3.254 26.886 ( -9.082 -15.314 0.000) 17.804 26.984 ( 1.310 4.072 0.000) 4.278 27.498 ( 1.546 4.613 0.000) 4.866 27.576 ( -1.519 -0.576 0.000) 1.624 27.698 ( -2.630 -2.725 0.000) 3.787 28.123 ( 6.777 6.308 0.000) 9.259 28.159 ( 2.840 2.430 0.000) 3.738 28.293 ( 4.373 -1.652 0.000) 4.675 28.516 ( -0.327 9.702 0.000) 9.707 28.587 ( 3.680 8.122 0.000) 8.917 28.814 ( 9.183 1.321 0.000) 9.277 29.026 ( -13.002 7.370 0.000) 14.946 29.284 ( 6.709 6.451 0.000) 9.308 29.337 ( -0.349 -3.524 0.000) 3.541 29.483 ( 13.324 7.971 0.000) 15.526 29.738 ( 0.410 3.432 0.000) 3.457 29.897 ( 3.209 9.676 0.000) 10.194 30.124 ( 6.923 11.919 0.000) 13.784 30.452 ( 5.512 8.511 0.000) 10.140 30.667 ( 2.419 1.590 0.000) 2.895 30.726 ( -2.073 2.165 0.000) 2.998 30.811 ( 0.488 -0.433 0.000) 0.652 30.952 ( -2.404 1.216 0.000) 2.694 31.004 ( 2.892 0.045 0.000) 2.893 31.185 ( 1.331 1.418 0.000) 1.945 31.354 ( -3.893 -8.241 0.000) 9.114 31.555 ( -4.565 -2.692 0.000) 5.299 31.563 ( 2.080 0.108 0.000) 2.083 32.561 ( -1.877 -3.456 0.000) 3.933 32.825 ( -4.452 -7.121 0.000) 8.398 33.128 ( 0.537 -0.285 0.000) 0.608 33.322 ( -2.883 -4.304 0.000) 5.181 33.411 ( -4.142 -6.862 0.000) 8.016 33.696 ( -4.940 -8.893 0.000) 10.174 38.981 ( 0.921 1.596 0.000) 1.843 39.171 ( -1.380 -2.390 0.000) 2.759 ======================= Grid point 9 (6/32) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 3.243 16.177 0.000) 16.499 2.004 ( 13.371 16.703 0.000) 21.395 2.132 ( 4.833 3.820 0.000) 6.161 2.248 ( -3.237 3.317 0.000) 4.635 2.288 ( 0.318 -4.795 0.000) 4.805 2.544 ( -5.164 -5.153 0.000) 7.295 2.672 ( 0.926 2.387 0.000) 2.560 2.716 ( -2.214 0.649 0.000) 2.307 2.765 ( -1.315 2.263 0.000) 2.617 2.886 ( -3.328 4.175 0.000) 5.339 2.986 ( 1.047 3.053 0.000) 3.228 3.073 ( 4.758 -3.982 0.000) 6.205 3.098 ( -1.075 1.216 0.000) 1.623 3.280 ( 4.590 5.352 0.000) 7.051 3.430 ( 3.246 -2.915 0.000) 4.363 3.564 ( 0.122 0.445 0.000) 0.461 3.625 ( -3.023 7.506 0.000) 8.092 3.699 ( 0.289 -1.885 0.000) 1.907 3.846 ( -7.023 3.547 0.000) 7.868 3.909 ( 10.264 -2.069 0.000) 10.471 3.995 ( 1.087 2.962 0.000) 3.155 4.107 ( 4.054 0.332 0.000) 4.067 4.155 ( -0.140 2.330 0.000) 2.335 4.392 ( -2.309 2.459 0.000) 3.373 4.594 ( 7.094 4.277 0.000) 8.283 4.813 ( -0.662 3.526 0.000) 3.588 4.951 ( 0.781 -0.424 0.000) 0.889 5.272 ( 7.779 5.611 0.000) 9.592 5.323 ( 6.444 3.266 0.000) 7.225 5.410 ( -4.382 7.249 0.000) 8.471 5.829 ( -0.202 6.571 0.000) 6.575 6.128 ( -7.660 -1.228 0.000) 7.757 6.136 ( 3.845 6.099 0.000) 7.210 6.236 ( -0.626 -6.675 0.000) 6.704 6.372 ( -6.030 1.940 0.000) 6.334 6.567 ( 10.142 -0.834 0.000) 10.176 6.696 ( -0.692 10.793 0.000) 10.815 6.879 ( 5.971 3.902 0.000) 7.132 7.157 ( 10.233 1.014 0.000) 10.283 7.326 ( 4.908 6.383 0.000) 8.052 7.672 ( 5.366 5.766 0.000) 7.877 7.748 ( 2.038 1.261 0.000) 2.396 7.851 ( -0.249 -4.438 0.000) 4.445 7.935 ( -1.276 -4.227 0.000) 4.416 8.552 ( -6.628 -8.533 0.000) 10.805 8.633 ( -8.683 -30.115 0.000) 31.342 8.983 ( 4.975 8.575 0.000) 9.914 9.106 ( 5.362 11.424 0.000) 12.620 9.279 ( -1.065 7.305 0.000) 7.382 9.384 ( -8.177 -1.963 0.000) 8.410 9.565 ( -5.009 -7.251 0.000) 8.813 9.784 ( 2.211 -14.520 0.000) 14.687 9.961 ( -7.910 -10.385 0.000) 13.054 10.171 ( -7.833 5.846 0.000) 9.774 10.573 ( 1.143 -3.855 0.000) 4.021 10.795 ( -4.229 -9.611 0.000) 10.500 11.114 ( -1.636 11.309 0.000) 11.427 11.254 ( -1.689 5.439 0.000) 5.695 11.563 ( -10.740 1.332 0.000) 10.822 11.998 ( 4.391 -17.546 0.000) 18.087 12.205 ( 3.161 -3.125 0.000) 4.445 12.326 ( -2.507 -0.594 0.000) 2.577 12.383 ( -0.102 -5.524 0.000) 5.525 12.728 ( -1.164 1.399 0.000) 1.820 12.843 ( -5.206 3.520 0.000) 6.284 12.997 ( 1.478 -8.865 0.000) 8.988 13.286 ( -9.973 -9.078 0.000) 13.486 13.459 ( 6.545 -7.781 0.000) 10.168 13.678 ( 0.873 -5.513 0.000) 5.581 13.744 ( 2.412 -2.038 0.000) 3.157 14.080 ( -1.810 6.371 0.000) 6.623 14.196 ( -3.958 1.070 0.000) 4.100 14.399 ( -0.041 3.590 0.000) 3.591 14.771 ( 6.924 -7.414 0.000) 10.144 14.903 ( 0.980 9.504 0.000) 9.555 15.053 ( -6.506 -8.907 0.000) 11.030 15.530 ( -3.064 6.195 0.000) 6.911 15.571 ( -1.412 2.314 0.000) 2.711 15.706 ( 5.638 -4.026 0.000) 6.928 15.988 ( 3.997 0.184 0.000) 4.002 16.245 ( -2.420 -0.868 0.000) 2.571 16.389 ( -1.438 -4.590 0.000) 4.810 16.758 ( -0.507 2.755 0.000) 2.801 16.907 ( 4.852 0.915 0.000) 4.937 17.037 ( 2.559 1.975 0.000) 3.233 17.263 ( -6.014 -1.358 0.000) 6.165 17.339 ( 3.466 -2.830 0.000) 4.475 17.454 ( -0.225 4.395 0.000) 4.401 17.645 ( -14.059 16.096 0.000) 21.371 17.855 ( 11.614 10.562 0.000) 15.698 18.228 ( -4.040 13.113 0.000) 13.721 18.502 ( 1.014 -12.426 0.000) 12.468 18.686 ( 18.168 4.070 0.000) 18.618 18.926 ( -4.652 -8.666 0.000) 9.836 18.999 ( 9.024 6.603 0.000) 11.182 19.374 ( 0.538 12.345 0.000) 12.357 19.486 ( 7.775 1.451 0.000) 7.910 19.546 ( 3.040 5.917 0.000) 6.653 19.807 ( -3.958 -5.504 0.000) 6.779 20.003 ( 3.866 4.211 0.000) 5.716 20.059 ( -5.255 -2.189 0.000) 5.692 20.288 ( 7.757 17.415 0.000) 19.065 20.373 ( -8.468 -8.781 0.000) 12.199 20.571 ( 2.513 6.833 0.000) 7.280 20.713 ( 6.233 -7.449 0.000) 9.713 21.146 ( 7.159 6.795 0.000) 9.871 21.329 ( -9.000 -5.748 0.000) 10.679 21.623 ( -6.314 -5.601 0.000) 8.440 21.951 ( -1.641 3.079 0.000) 3.489 22.185 ( -7.864 -23.926 0.000) 25.186 22.672 ( 1.273 8.575 0.000) 8.669 22.949 ( -16.894 2.633 0.000) 17.098 23.224 ( 0.984 -3.678 0.000) 3.807 23.462 ( 2.199 -3.473 0.000) 4.111 24.003 ( 1.748 -7.091 0.000) 7.303 24.094 ( 2.462 -16.109 0.000) 16.296 24.354 ( -4.431 -14.883 0.000) 15.528 25.133 ( -13.278 17.927 0.000) 22.309 25.495 ( 7.814 -1.415 0.000) 7.941 25.580 ( 0.184 -0.019 0.000) 0.185 25.616 ( -0.440 -1.058 0.000) 1.146 25.654 ( 4.665 0.022 0.000) 4.665 25.716 ( 1.477 0.382 0.000) 1.525 25.817 ( -1.524 1.554 0.000) 2.177 25.906 ( 2.695 1.088 0.000) 2.906 25.987 ( 5.433 0.423 0.000) 5.450 26.112 ( 0.093 2.918 0.000) 2.919 26.152 ( -1.028 3.762 0.000) 3.900 26.244 ( -5.207 -10.675 0.000) 11.877 26.356 ( -0.151 -5.078 0.000) 5.081 26.469 ( -1.723 4.313 0.000) 4.644 26.630 ( 0.488 -1.868 0.000) 1.931 26.668 ( -2.127 -1.188 0.000) 2.436 27.055 ( 1.929 2.137 0.000) 2.879 27.450 ( -4.192 -0.506 0.000) 4.223 27.566 ( 0.320 0.287 0.000) 0.430 27.690 ( -0.997 3.091 0.000) 3.248 28.204 ( 0.686 1.244 0.000) 1.420 28.315 ( 1.320 3.308 0.000) 3.561 28.412 ( 10.029 0.367 0.000) 10.036 28.581 ( -3.977 7.302 0.000) 8.315 28.734 ( 9.191 0.925 0.000) 9.238 28.797 ( -14.536 1.329 0.000) 14.597 28.973 ( 7.304 -4.484 0.000) 8.570 29.298 ( 6.542 -11.096 0.000) 12.881 29.483 ( 5.084 4.145 0.000) 6.559 29.698 ( -4.132 1.151 0.000) 4.289 29.757 ( 4.931 2.517 0.000) 5.536 30.077 ( 1.063 10.715 0.000) 10.768 30.425 ( 10.399 9.560 0.000) 14.126 30.524 ( -4.271 6.989 0.000) 8.191 30.583 ( -8.911 9.046 0.000) 12.698 30.785 ( -3.711 -2.065 0.000) 4.247 30.882 ( -3.203 1.328 0.000) 3.468 30.920 ( 9.638 -1.500 0.000) 9.754 31.034 ( -4.002 0.251 0.000) 4.010 31.080 ( -0.824 -3.182 0.000) 3.287 31.376 ( -6.966 4.010 0.000) 8.038 31.524 ( 6.555 1.269 0.000) 6.677 31.654 ( 11.069 0.411 0.000) 11.076 32.279 ( -8.134 -19.600 0.000) 21.221 32.813 ( -3.685 10.899 0.000) 11.505 33.135 ( -1.907 0.742 0.000) 2.046 33.265 ( 2.652 -5.824 0.000) 6.400 33.275 ( 0.378 -3.296 0.000) 3.317 33.490 ( -4.621 -9.781 0.000) 10.817 39.022 ( 1.044 1.790 0.000) 2.072 39.117 ( -1.273 -2.186 0.000) 2.529 ======================= Grid point 10 (7/32) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -15.275 5.274 0.000) 16.160 1.995 ( -22.545 -2.734 0.000) 22.710 2.151 ( -3.460 -4.220 0.000) 5.458 2.211 ( 1.230 4.803 0.000) 4.958 2.341 ( -1.670 -2.709 0.000) 3.182 2.524 ( 8.223 3.080 0.000) 8.781 2.665 ( -1.545 1.844 0.000) 2.406 2.712 ( 0.070 1.226 0.000) 1.228 2.771 ( 0.281 1.184 0.000) 1.217 2.890 ( -3.003 5.415 0.000) 6.192 3.021 ( 0.258 0.037 0.000) 0.261 3.034 ( -3.443 -2.021 0.000) 3.992 3.129 ( 2.112 -1.080 0.000) 2.372 3.250 ( -8.334 -2.553 0.000) 8.716 3.400 ( -2.556 -2.797 0.000) 3.789 3.613 ( 3.068 0.688 0.000) 3.144 3.658 ( -1.790 5.658 0.000) 5.934 3.675 ( 0.312 0.765 0.000) 0.826 3.738 ( -5.256 -0.483 0.000) 5.278 3.977 ( -4.475 -0.512 0.000) 4.504 4.022 ( 2.880 -4.707 0.000) 5.518 4.077 ( -5.712 -0.617 0.000) 5.745 4.172 ( -0.085 0.039 0.000) 0.094 4.417 ( 0.965 3.356 0.000) 3.492 4.556 ( -9.403 -3.270 0.000) 9.956 4.865 ( 5.702 -5.249 0.000) 7.750 4.989 ( -2.412 12.075 0.000) 12.313 5.112 ( -17.515 -9.682 0.000) 20.013 5.347 ( -1.338 1.822 0.000) 2.261 5.475 ( -5.927 1.177 0.000) 6.043 5.832 ( -7.346 2.438 0.000) 7.740 6.085 ( 0.129 4.514 0.000) 4.516 6.159 ( 5.878 1.820 0.000) 6.153 6.259 ( -0.502 -4.999 0.000) 5.025 6.336 ( -0.001 8.164 0.000) 8.164 6.616 ( -1.554 -5.743 0.000) 5.950 6.735 ( -13.958 -3.816 0.000) 14.470 6.829 ( 0.426 5.331 0.000) 5.348 7.101 ( -10.886 -8.452 0.000) 13.782 7.360 ( -7.394 -2.870 0.000) 7.932 7.600 ( -7.615 0.666 0.000) 7.644 7.739 ( -0.484 -1.457 0.000) 1.535 7.928 ( 3.550 -3.314 0.000) 4.856 7.976 ( 3.557 -2.122 0.000) 4.142 8.516 ( 24.734 0.639 0.000) 24.742 8.637 ( 14.379 -6.244 0.000) 15.676 8.988 ( -13.364 0.033 0.000) 13.364 9.140 ( -5.814 -0.301 0.000) 5.822 9.331 ( -3.726 2.077 0.000) 4.266 9.379 ( 3.561 14.016 0.000) 14.461 9.458 ( 7.890 -4.185 0.000) 8.931 9.739 ( 7.532 -4.521 0.000) 8.785 10.001 ( 14.532 0.484 0.000) 14.541 10.239 ( 5.822 7.168 0.000) 9.234 10.545 ( -2.703 -6.273 0.000) 6.831 10.667 ( 2.700 6.886 0.000) 7.397 11.208 ( -1.287 0.398 0.000) 1.347 11.318 ( -2.643 4.908 0.000) 5.574 11.621 ( 10.337 16.506 0.000) 19.476 11.868 ( 4.644 -16.591 0.000) 17.229 12.242 ( -1.313 -5.811 0.000) 5.957 12.287 ( 4.263 0.776 0.000) 4.333 12.399 ( 6.428 -0.840 0.000) 6.483 12.775 ( 3.172 4.008 0.000) 5.112 12.873 ( -0.963 -5.039 0.000) 5.130 12.960 ( 2.125 8.731 0.000) 8.986 13.181 ( 11.200 -7.390 0.000) 13.419 13.538 ( 3.896 3.444 0.000) 5.200 13.626 ( 4.134 -11.072 0.000) 11.819 13.797 ( 3.079 -1.754 0.000) 3.543 14.091 ( -3.563 3.304 0.000) 4.859 14.154 ( -0.585 2.735 0.000) 2.797 14.472 ( 2.260 4.526 0.000) 5.059 14.750 ( -5.299 -12.162 0.000) 13.266 14.868 ( -0.771 4.542 0.000) 4.607 15.075 ( 9.014 1.460 0.000) 9.132 15.502 ( -4.868 5.528 0.000) 7.366 15.564 ( -4.454 2.944 0.000) 5.339 15.702 ( 0.995 -6.388 0.000) 6.465 16.018 ( -0.122 -3.559 0.000) 3.561 16.279 ( 4.969 1.016 0.000) 5.072 16.372 ( 3.662 -1.720 0.000) 4.046 16.719 ( -3.271 1.178 0.000) 3.477 16.992 ( -2.086 -5.760 0.000) 6.126 17.022 ( -0.480 0.331 0.000) 0.584 17.153 ( -5.549 6.105 0.000) 8.250 17.326 ( -1.678 0.977 0.000) 1.942 17.486 ( -0.310 -0.500 0.000) 0.588 17.602 ( -8.124 12.453 0.000) 14.869 18.080 ( -1.630 0.637 0.000) 1.750 18.190 ( -13.129 12.626 0.000) 18.215 18.384 ( 3.661 -10.390 0.000) 11.016 18.613 ( -9.023 -8.111 0.000) 12.133 18.902 ( -3.234 -2.632 0.000) 4.169 19.188 ( -3.230 -14.434 0.000) 14.791 19.339 ( 4.903 5.992 0.000) 7.742 19.399 ( -11.209 4.087 0.000) 11.930 19.589 ( -2.611 -0.905 0.000) 2.763 19.891 ( -6.406 -6.839 0.000) 9.371 19.953 ( -12.614 0.763 0.000) 12.637 20.034 ( 12.450 8.768 0.000) 15.228 20.249 ( 6.150 3.820 0.000) 7.239 20.405 ( -19.515 -6.805 0.000) 20.668 20.494 ( 1.480 7.405 0.000) 7.551 20.788 ( 4.471 -8.515 0.000) 9.617 21.133 ( -7.558 -1.454 0.000) 7.697 21.386 ( 7.632 2.047 0.000) 7.902 21.590 ( 9.285 3.552 0.000) 9.941 21.938 ( -2.854 3.659 0.000) 4.641 22.179 ( 23.171 -4.691 0.000) 23.641 22.683 ( -6.689 1.992 0.000) 6.979 22.924 ( 4.494 15.281 0.000) 15.928 23.281 ( 6.534 -0.040 0.000) 6.535 23.431 ( -0.059 -5.185 0.000) 5.185 23.997 ( 4.430 -4.654 0.000) 6.425 24.099 ( 13.586 -10.630 0.000) 17.250 24.357 ( 15.127 -3.564 0.000) 15.541 25.113 ( -9.805 19.411 0.000) 21.747 25.534 ( -0.661 -5.832 0.000) 5.869 25.581 ( -0.193 -0.253 0.000) 0.318 25.610 ( 0.753 -0.014 0.000) 0.753 25.632 ( -3.662 -5.016 0.000) 6.211 25.720 ( -0.036 -0.212 0.000) 0.215 25.815 ( -1.545 1.756 0.000) 2.339 25.914 ( -0.733 -2.416 0.000) 2.524 25.991 ( -4.525 -3.981 0.000) 6.027 26.092 ( -5.468 1.654 0.000) 5.712 26.180 ( 3.592 2.489 0.000) 4.370 26.225 ( 6.929 -0.573 0.000) 6.953 26.341 ( 4.955 -1.622 0.000) 5.213 26.509 ( 0.190 3.225 0.000) 3.231 26.583 ( -2.227 -0.986 0.000) 2.435 26.678 ( 3.024 0.616 0.000) 3.086 27.065 ( -2.095 -0.843 0.000) 2.258 27.479 ( 3.998 4.675 0.000) 6.151 27.556 ( -0.002 -2.169 0.000) 2.169 27.688 ( -2.296 2.660 0.000) 3.514 28.199 ( -2.210 0.493 0.000) 2.264 28.318 ( -1.747 -0.748 0.000) 1.900 28.361 ( -12.251 -4.382 0.000) 13.011 28.610 ( -0.557 3.137 0.000) 3.186 28.645 ( -2.231 4.056 0.000) 4.629 28.879 ( -1.330 -1.260 0.000) 1.832 29.040 ( 9.941 -5.075 0.000) 11.161 29.286 ( 6.124 -12.721 0.000) 14.119 29.482 ( -8.435 -3.909 0.000) 9.297 29.586 ( -6.894 7.064 0.000) 9.871 29.808 ( -1.368 -0.989 0.000) 1.688 30.096 ( -7.781 3.247 0.000) 8.431 30.394 ( -10.460 0.132 0.000) 10.461 30.556 ( -9.822 1.111 0.000) 9.885 30.629 ( -4.910 14.241 0.000) 15.064 30.713 ( 7.997 4.132 0.000) 9.002 30.869 ( -2.982 -6.918 0.000) 7.534 30.944 ( 3.888 -0.496 0.000) 3.920 31.024 ( -2.253 2.923 0.000) 3.690 31.168 ( 9.380 -2.989 0.000) 9.845 31.270 ( -8.095 6.676 0.000) 10.493 31.567 ( -1.384 1.154 0.000) 1.802 31.654 ( -6.705 -12.091 0.000) 13.825 32.276 ( 20.971 -2.597 0.000) 21.131 32.822 ( -7.444 8.758 0.000) 11.495 33.106 ( 0.353 0.809 0.000) 0.883 33.276 ( 4.798 0.442 0.000) 4.819 33.293 ( 1.216 -6.901 0.000) 7.007 33.481 ( 11.037 -0.573 0.000) 11.052 39.022 ( -2.072 -0.009 0.000) 2.072 39.117 ( 2.529 0.010 0.000) 2.529 ======================= Grid point 15 (8/32) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -3.283 -6.566 0.000) 7.341 2.121 ( 3.283 6.566 0.000) 7.341 2.135 ( -0.000 0.000 0.000) 0.000 2.301 ( -0.000 -0.000 0.000) 0.000 2.381 ( -3.821 -7.642 0.000) 8.545 2.381 ( 3.821 7.642 0.000) 8.545 2.718 ( -0.150 -0.300 0.000) 0.336 2.718 ( 0.150 0.300 0.000) 0.336 2.761 ( -0.000 -0.000 0.000) 0.000 2.960 ( -0.933 -1.867 0.000) 2.087 2.960 ( 0.933 1.867 0.000) 2.087 3.015 ( -0.000 -0.000 0.000) 0.000 3.242 ( -3.028 -6.057 0.000) 6.772 3.242 ( 3.028 6.057 0.000) 6.772 3.488 ( -1.876 -3.753 0.000) 4.196 3.488 ( 1.876 3.753 0.000) 4.196 3.657 ( -0.000 -0.000 0.000) 0.000 3.799 ( -0.000 -0.000 0.000) 0.000 3.855 ( -1.501 -3.002 0.000) 3.356 3.855 ( 1.501 3.002 0.000) 3.356 4.081 ( -0.000 -0.000 0.000) 0.000 4.129 ( -0.144 -0.289 0.000) 0.323 4.129 ( 0.144 0.289 0.000) 0.323 4.427 ( -0.000 -0.000 0.000) 0.000 4.691 ( -2.958 -5.915 0.000) 6.614 4.691 ( 2.958 5.915 0.000) 6.614 5.132 ( -0.000 -0.000 0.000) 0.000 5.375 ( 0.000 -0.000 0.000) 0.000 5.382 ( -4.331 -8.663 0.000) 9.685 5.382 ( 4.331 8.663 0.000) 9.685 5.952 ( -2.398 -4.795 0.000) 5.361 5.952 ( 2.398 4.795 0.000) 5.361 6.175 ( -0.000 -0.000 0.000) 0.000 6.299 ( -0.000 -0.000 0.000) 0.000 6.494 ( -2.198 -4.397 0.000) 4.916 6.494 ( 2.198 4.397 0.000) 4.916 6.895 ( -0.580 -1.160 0.000) 1.297 6.895 ( 0.580 1.160 0.000) 1.297 7.147 ( 0.000 -0.000 0.000) 0.000 7.399 ( -0.000 -0.000 0.000) 0.000 7.740 ( -0.000 0.000 0.000) 0.000 7.764 ( -0.159 -0.318 0.000) 0.356 7.764 ( 0.159 0.318 0.000) 0.356 8.044 ( -6.763 -13.526 0.000) 15.123 8.044 ( 6.763 13.526 0.000) 15.123 8.445 ( -0.000 -0.000 0.000) 0.000 9.212 ( -0.000 0.000 0.000) 0.000 9.214 ( -4.641 -9.282 0.000) 10.378 9.214 ( 4.641 9.282 0.000) 10.378 9.518 ( -3.638 -7.276 0.000) 8.135 9.518 ( 3.638 7.276 0.000) 8.135 9.672 ( -7.361 -14.722 0.000) 16.460 9.672 ( 7.361 14.722 0.000) 16.460 10.338 ( -3.447 -6.893 0.000) 7.707 10.338 ( 3.447 6.893 0.000) 7.707 10.824 ( 0.000 -0.000 0.000) 0.000 11.233 ( -0.000 -0.000 0.000) 0.000 11.516 ( -6.747 -13.494 0.000) 15.087 11.516 ( 6.747 13.494 0.000) 15.087 11.662 ( -0.000 -0.000 0.000) 0.000 12.200 ( -0.599 -1.198 0.000) 1.339 12.200 ( 0.599 1.198 0.000) 1.339 12.344 ( -0.000 -0.000 0.000) 0.000 12.821 ( -0.765 -1.531 0.000) 1.711 12.821 ( 0.765 1.531 0.000) 1.711 12.992 ( -0.000 -0.000 0.000) 0.000 13.190 ( -5.554 -11.108 0.000) 12.419 13.190 ( 5.554 11.108 0.000) 12.419 13.711 ( -1.226 -2.451 0.000) 2.740 13.711 ( 1.226 2.451 0.000) 2.740 14.151 ( -0.000 -0.000 0.000) 0.000 14.213 ( -0.000 -0.000 0.000) 0.000 14.490 ( -0.000 -0.000 0.000) 0.000 14.724 ( -0.759 -1.519 0.000) 1.698 14.724 ( 0.759 1.519 0.000) 1.698 15.140 ( -0.000 -0.000 0.000) 0.000 15.602 ( -0.286 -0.572 0.000) 0.639 15.602 ( 0.286 0.572 0.000) 0.639 15.641 ( -0.000 -0.000 0.000) 0.000 16.000 ( -0.000 -0.000 0.000) 0.000 16.283 ( -1.664 -3.329 0.000) 3.722 16.283 ( 1.664 3.329 0.000) 3.722 16.847 ( -2.626 -5.252 0.000) 5.872 16.847 ( 2.626 5.252 0.000) 5.872 17.078 ( -0.000 -0.000 0.000) 0.000 17.269 ( -1.251 -2.501 0.000) 2.797 17.269 ( 1.251 2.501 0.000) 2.797 17.513 ( -0.000 -0.000 0.000) 0.000 17.904 ( -0.000 -0.000 0.000) 0.000 18.127 ( -5.303 -10.605 0.000) 11.857 18.127 ( 5.303 10.605 0.000) 11.857 18.460 ( -0.000 -0.000 0.000) 0.000 18.776 ( -1.576 -3.151 0.000) 3.523 18.776 ( 1.576 3.151 0.000) 3.523 19.163 ( -0.000 -0.000 0.000) 0.000 19.387 ( -1.222 -2.444 0.000) 2.732 19.387 ( 1.222 2.444 0.000) 2.732 19.591 ( -0.000 -0.000 0.000) 0.000 19.946 ( -2.404 -4.808 0.000) 5.375 19.946 ( 2.404 4.808 0.000) 5.375 20.176 ( -3.344 -6.688 0.000) 7.478 20.176 ( 3.344 6.688 0.000) 7.478 20.444 ( -0.000 -0.000 0.000) 0.000 20.584 ( -0.000 -0.000 0.000) 0.000 20.968 ( -10.366 -20.732 0.000) 23.179 20.968 ( 10.366 20.732 0.000) 23.179 21.196 ( -0.000 -0.000 0.000) 0.000 21.782 ( -6.687 -13.374 0.000) 14.953 21.782 ( 6.687 13.374 0.000) 14.953 22.018 ( -0.000 -0.000 0.000) 0.000 22.872 ( -3.904 -7.808 0.000) 8.730 22.872 ( 3.904 7.808 0.000) 8.730 23.130 ( -0.000 -0.000 0.000) 0.000 23.622 ( -6.804 -13.608 0.000) 15.214 23.622 ( 6.804 13.608 0.000) 15.214 24.093 ( -3.388 -6.776 0.000) 7.576 24.093 ( 3.388 6.776 0.000) 7.576 25.474 ( -0.000 -0.000 0.000) 0.000 25.523 ( -5.719 -11.437 0.000) 12.787 25.523 ( 5.719 11.437 0.000) 12.787 25.596 ( -0.402 -0.803 0.000) 0.898 25.596 ( 0.402 0.803 0.000) 0.898 25.685 ( -0.000 -0.000 0.000) 0.000 25.835 ( -0.000 -0.000 0.000) 0.000 25.956 ( -1.670 -3.340 0.000) 3.735 25.956 ( 1.670 3.340 0.000) 3.735 26.033 ( 0.000 -0.000 0.000) 0.000 26.201 ( -0.000 -0.000 0.000) 0.000 26.249 ( -0.917 -1.834 0.000) 2.050 26.249 ( 0.917 1.834 0.000) 2.050 26.562 ( -0.987 -1.974 0.000) 2.207 26.562 ( 0.987 1.974 0.000) 2.207 26.668 ( -0.000 -0.000 0.000) 0.000 27.083 ( -0.000 -0.000 0.000) 0.000 27.502 ( -0.380 -0.760 0.000) 0.850 27.502 ( 0.380 0.760 0.000) 0.850 27.733 ( -0.000 -0.000 0.000) 0.000 28.274 ( -1.529 -3.058 0.000) 3.419 28.274 ( 1.529 3.058 0.000) 3.419 28.461 ( 0.000 -0.000 0.000) 0.000 28.690 ( -0.327 -0.654 0.000) 0.731 28.690 ( 0.327 0.654 0.000) 0.731 28.865 ( -0.000 -0.000 0.000) 0.000 29.016 ( -4.669 -9.337 0.000) 10.439 29.016 ( 4.669 9.337 0.000) 10.439 29.526 ( -0.000 -0.000 0.000) 0.000 29.751 ( -1.235 -2.470 0.000) 2.761 29.751 ( 1.235 2.470 0.000) 2.761 30.195 ( -0.000 -0.000 0.000) 0.000 30.578 ( 0.000 -0.000 0.000) 0.000 30.679 ( -1.854 -3.709 0.000) 4.147 30.679 ( 1.854 3.709 0.000) 4.147 30.806 ( -1.247 -2.493 0.000) 2.788 30.806 ( 1.247 2.493 0.000) 2.788 30.824 ( -0.000 -0.000 0.000) 0.000 31.054 ( -0.006 -0.012 0.000) 0.013 31.054 ( 0.006 0.012 0.000) 0.013 31.565 ( 0.000 -0.000 0.000) 0.000 31.589 ( -3.303 -6.606 0.000) 7.386 31.589 ( 3.303 6.606 0.000) 7.386 31.957 ( -0.000 -0.000 0.000) 0.000 33.031 ( 0.000 -0.000 0.000) 0.000 33.125 ( -0.773 -1.546 0.000) 1.728 33.125 ( 0.773 1.546 0.000) 1.728 33.300 ( -1.961 -3.923 0.000) 4.386 33.300 ( 1.961 3.923 0.000) 4.386 39.067 ( -1.024 -2.048 0.000) 2.289 39.067 ( 1.024 2.048 0.000) 2.289 ======================= Grid point 43 (9/32) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.000 0.000 36.242) 36.242 0.784 ( 0.000 -0.000 39.005) 39.005 1.429 ( 0.000 0.000 68.375) 68.375 2.062 ( -0.000 -0.000 1.238) 1.238 2.070 ( -0.000 0.000 2.298) 2.298 2.519 ( 0.000 0.000 -1.917) 1.917 2.553 ( -0.000 -0.000 3.332) 3.332 2.570 ( -0.000 0.000 4.576) 4.576 2.590 ( -0.000 -0.000 0.967) 0.967 2.611 ( 0.000 0.000 1.908) 1.908 2.912 ( 0.000 0.000 -3.628) 3.628 3.046 ( -0.000 0.000 4.130) 4.130 3.124 ( 0.000 -0.000 -3.705) 3.705 3.208 ( 0.000 0.000 6.861) 6.861 3.406 ( 0.000 -0.000 -5.288) 5.288 3.435 ( 0.000 0.000 0.566) 0.566 3.536 ( 0.000 -0.000 -3.805) 3.805 3.721 ( -0.000 0.000 -7.301) 7.301 3.756 ( 0.000 0.000 -6.791) 6.791 3.809 ( 0.000 0.000 2.522) 2.522 3.853 ( 0.000 0.000 0.254) 0.254 3.865 ( -0.000 -0.000 1.936) 1.936 3.943 ( 0.000 0.000 -2.458) 2.458 4.265 ( 0.000 -0.000 -4.095) 4.095 4.580 ( -0.000 -0.000 1.748) 1.748 4.641 ( 0.000 0.000 12.823) 12.823 4.719 ( -0.000 -0.000 -4.207) 4.207 4.728 ( 0.000 0.000 3.980) 3.980 4.929 ( 0.000 -0.000 1.475) 1.475 5.189 ( -0.000 -0.000 4.729) 4.729 5.650 ( -0.000 -0.000 -8.817) 8.817 5.782 ( 0.000 0.000 -3.655) 3.655 5.863 ( 0.000 0.000 -5.771) 5.771 5.910 ( -0.000 -0.000 0.875) 0.875 6.330 ( 0.000 0.000 -1.589) 1.589 6.354 ( -0.000 -0.000 2.965) 2.965 6.491 ( -0.000 0.000 0.747) 0.747 6.516 ( 0.000 -0.000 6.163) 6.163 7.144 ( 0.000 0.000 -5.695) 5.695 7.272 ( 0.000 -0.000 -4.207) 4.207 7.486 ( -0.000 -0.000 7.237) 7.237 7.695 ( 0.000 0.000 4.501) 4.501 7.804 ( 0.000 -0.000 7.614) 7.614 8.152 ( -0.000 0.000 1.611) 1.611 8.502 ( -0.000 0.000 -6.706) 6.706 8.729 ( 0.000 0.000 7.576) 7.576 8.913 ( 0.000 0.000 -15.413) 15.413 9.280 ( -0.000 0.000 -0.335) 0.335 9.512 ( 0.000 0.000 10.235) 10.235 9.629 ( 0.000 -0.000 5.743) 5.743 9.881 ( 0.000 0.000 -23.660) 23.660 9.900 ( -0.000 -0.000 -16.070) 16.070 10.357 ( 0.000 -0.000 -7.365) 7.365 10.905 ( -0.000 -0.000 -0.125) 0.125 11.117 ( 0.000 0.000 6.189) 6.189 11.265 ( -0.000 0.000 11.652) 11.652 11.494 ( 0.000 0.000 17.420) 17.420 11.729 ( 0.000 -0.000 -19.656) 19.656 11.806 ( 0.000 -0.000 1.730) 1.730 11.939 ( 0.000 -0.000 -15.001) 15.001 12.296 ( 0.000 -0.000 1.588) 1.588 12.322 ( 0.000 -0.000 3.889) 3.889 12.356 ( 0.000 0.000 7.920) 7.920 12.974 ( 0.000 0.000 -11.703) 11.703 13.226 ( -0.000 0.000 -8.366) 8.366 13.426 ( 0.000 0.000 -13.532) 13.532 13.464 ( -0.000 -0.000 -2.921) 2.921 13.687 ( 0.000 0.000 -9.458) 9.458 13.842 ( 0.000 0.000 0.674) 0.674 14.176 ( 0.000 -0.000 -11.566) 11.566 14.239 ( 0.000 0.000 13.243) 13.243 14.249 ( 0.000 -0.000 8.328) 8.328 14.347 ( 0.000 0.000 5.806) 5.806 14.673 ( 0.000 0.000 -10.400) 10.400 14.679 ( 0.000 0.000 14.212) 14.212 14.933 ( 0.000 0.000 -4.924) 4.924 15.491 ( -0.000 0.000 21.470) 21.470 15.718 ( -0.000 -0.000 -7.489) 7.489 16.091 ( 0.000 -0.000 -5.767) 5.767 16.206 ( -0.000 0.000 18.345) 18.345 16.251 ( -0.000 0.000 16.618) 16.618 16.348 ( 0.000 0.000 6.490) 6.490 16.541 ( -0.000 0.000 2.424) 2.424 16.914 ( 0.000 -0.000 -7.351) 7.351 17.123 ( 0.000 -0.000 -3.419) 3.419 17.162 ( 0.000 -0.000 0.561) 0.561 17.179 ( -0.000 0.000 -7.643) 7.643 17.231 ( 0.000 0.000 1.156) 1.156 17.465 ( 0.000 0.000 2.067) 2.067 17.551 ( 0.000 -0.000 10.305) 10.305 17.762 ( -0.000 -0.000 10.066) 10.066 17.930 ( -0.000 -0.000 6.675) 6.675 18.208 ( 0.000 0.000 -9.200) 9.200 18.487 ( 0.000 0.000 -13.465) 13.465 18.505 ( -0.000 -0.000 4.020) 4.020 18.671 ( 0.000 0.000 -0.687) 0.687 18.997 ( 0.000 -0.000 9.424) 9.424 19.501 ( 0.000 0.000 -11.869) 11.869 19.619 ( 0.000 -0.000 1.422) 1.422 19.641 ( 0.000 0.000 -1.554) 1.554 19.784 ( 0.000 -0.000 -6.328) 6.328 20.340 ( -0.000 0.000 -11.877) 11.877 20.667 ( 0.000 0.000 -3.184) 3.184 20.674 ( 0.000 0.000 -0.992) 0.992 20.707 ( -0.000 0.000 -9.284) 9.284 20.736 ( 0.000 0.000 4.263) 4.263 21.722 ( 0.000 -0.000 -4.469) 4.469 22.150 ( -0.000 0.000 10.146) 10.146 22.276 ( 0.000 0.000 -3.161) 3.161 22.453 ( -0.000 -0.000 0.919) 0.919 22.874 ( -0.000 -0.000 11.989) 11.989 23.411 ( 0.000 0.000 3.050) 3.050 23.946 ( 0.000 -0.000 9.995) 9.995 24.066 ( -0.000 0.000 13.710) 13.710 24.437 ( 0.000 0.000 -2.694) 2.694 24.492 ( -0.000 0.000 -8.486) 8.486 25.140 ( 0.000 0.000 -0.537) 0.537 25.279 ( 0.000 0.000 6.863) 6.863 25.482 ( -0.000 0.000 5.727) 5.727 25.558 ( -0.000 0.000 -1.414) 1.414 25.618 ( -0.000 0.000 1.381) 1.381 25.637 ( -0.000 0.000 -3.734) 3.734 25.717 ( -0.000 -0.000 -1.565) 1.565 25.740 ( -0.000 0.000 -0.628) 0.628 25.790 ( 0.000 0.000 1.847) 1.847 25.833 ( 0.000 -0.000 0.555) 0.555 25.926 ( -0.000 0.000 4.561) 4.561 26.164 ( -0.000 0.000 -5.157) 5.157 26.397 ( 0.000 0.000 -7.051) 7.051 26.516 ( -0.000 -0.000 -3.884) 3.884 26.638 ( -0.000 0.000 4.485) 4.485 26.646 ( 0.000 0.000 2.565) 2.565 26.876 ( 0.000 0.000 0.507) 0.507 27.112 ( 0.000 -0.000 -8.113) 8.113 27.590 ( 0.000 0.000 -8.854) 8.854 27.810 ( 0.000 0.000 2.865) 2.865 27.898 ( -0.000 0.000 -4.445) 4.445 27.945 ( 0.000 0.000 -7.275) 7.275 28.034 ( 0.000 0.000 1.580) 1.580 28.108 ( 0.000 0.000 13.639) 13.639 28.328 ( 0.000 0.000 7.127) 7.127 28.549 ( 0.000 0.000 6.060) 6.060 28.613 ( -0.000 -0.000 2.930) 2.930 28.634 ( 0.000 0.000 -10.809) 10.809 28.772 ( 0.000 -0.000 -0.796) 0.796 29.318 ( 0.000 0.000 1.041) 1.041 29.328 ( 0.000 0.000 4.425) 4.425 29.489 ( 0.000 -0.000 -9.827) 9.827 29.704 ( -0.000 0.000 5.010) 5.010 29.866 ( -0.000 0.000 2.316) 2.316 30.077 ( 0.000 0.000 -7.844) 7.844 30.410 ( 0.000 0.000 -10.562) 10.562 30.652 ( -0.000 0.000 -13.585) 13.585 30.811 ( -0.000 0.000 -6.004) 6.004 30.947 ( 0.000 -0.000 -9.491) 9.491 31.064 ( -0.000 0.000 -10.751) 10.751 31.098 ( -0.000 0.000 3.636) 3.636 31.161 ( 0.000 -0.000 8.167) 8.167 31.720 ( -0.000 0.000 13.353) 13.353 31.835 ( 0.000 0.000 11.483) 11.483 31.850 ( 0.000 -0.000 16.031) 16.031 32.536 ( 0.000 -0.000 1.817) 1.817 33.004 ( -0.000 0.000 -8.821) 8.821 33.162 ( -0.000 0.000 -1.687) 1.687 33.423 ( 0.000 -0.000 -2.215) 2.215 33.566 ( 0.000 0.000 -3.148) 3.148 39.367 ( 0.000 0.000 12.991) 12.991 40.680 ( 0.000 -0.000 -2.795) 2.795 ======================= Grid point 44 (10/32) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 22.593 13.197 23.691) 35.297 1.205 ( 22.586 12.918 26.680) 37.267 1.941 ( 25.733 14.941 34.144) 45.291 2.122 ( 3.222 2.547 1.478) 4.364 2.168 ( 11.613 5.918 5.122) 14.004 2.499 ( 0.308 0.044 -1.105) 1.148 2.586 ( 1.797 1.421 2.821) 3.634 2.631 ( 4.631 0.519 3.154) 5.627 2.654 ( 3.821 4.475 3.153) 6.676 2.708 ( 5.067 2.486 1.819) 5.930 2.925 ( 1.092 0.207 -1.863) 2.169 3.059 ( 0.790 1.173 3.247) 3.541 3.100 ( -0.757 -2.281 3.295) 4.078 3.126 ( -0.079 1.612 2.362) 2.861 3.387 ( -3.547 -0.118 -0.446) 3.577 3.489 ( 5.877 0.444 -0.131) 5.895 3.563 ( 1.225 1.171 -3.875) 4.230 3.672 ( -2.143 -1.015 -5.164) 5.682 3.755 ( 2.496 0.518 2.931) 3.885 3.834 ( -0.935 4.266 -2.025) 4.813 3.899 ( 5.533 -2.115 -0.860) 5.985 3.963 ( 0.717 3.289 -5.226) 6.216 4.002 ( 4.759 1.693 -2.063) 5.456 4.352 ( 2.903 1.429 0.400) 3.261 4.464 ( -1.052 -1.212 7.772) 7.936 4.580 ( 2.238 2.468 3.454) 4.799 4.789 ( 10.432 5.966 8.767) 14.875 4.864 ( 4.328 2.041 -4.184) 6.357 5.173 ( 6.656 3.546 -1.430) 7.676 5.222 ( 4.161 2.655 2.445) 5.508 5.714 ( -0.641 1.264 -3.933) 4.181 5.827 ( 9.108 2.786 -7.910) 12.381 5.935 ( 3.350 1.397 -9.386) 10.063 6.112 ( 9.574 8.206 -6.225) 14.063 6.339 ( -0.202 -1.346 1.141) 1.776 6.440 ( 7.288 4.469 1.826) 8.742 6.537 ( 4.195 2.455 2.381) 5.412 6.605 ( 6.035 3.046 6.504) 9.381 7.070 ( -6.371 -2.706 6.825) 9.721 7.134 ( -0.296 -0.860 -3.012) 3.147 7.492 ( 0.543 0.563 5.020) 5.080 7.663 ( -0.999 -0.724 -0.620) 1.381 7.825 ( 1.282 0.467 5.002) 5.184 8.132 ( -1.947 -1.053 4.154) 4.707 8.506 ( -0.016 -0.084 -9.192) 9.192 8.777 ( 3.741 2.234 6.876) 8.140 8.897 ( -0.431 -0.205 -10.348) 10.359 9.225 ( -3.422 -2.104 0.996) 4.139 9.520 ( -1.266 -0.941 8.549) 8.693 9.629 ( 1.931 0.912 7.041) 7.357 9.784 ( -10.155 -4.407 -21.890) 24.530 9.929 ( 2.688 0.454 -17.361) 17.574 10.234 ( -8.707 -4.659 -1.099) 9.936 10.690 ( -12.476 -8.293 -1.618) 15.069 10.988 ( -19.185 -8.903 5.480) 21.848 11.190 ( -7.331 -2.251 6.214) 9.870 11.319 ( -5.263 -7.793 7.448) 11.997 11.491 ( -12.592 -5.375 3.538) 14.141 11.745 ( -0.618 -3.087 -14.091) 14.439 11.977 ( -3.705 0.097 -7.730) 8.573 12.172 ( -4.234 -0.736 1.844) 4.677 12.348 ( 2.949 1.331 -1.621) 3.618 12.526 ( 4.794 0.833 2.944) 5.687 12.934 ( -11.642 -6.962 -10.110) 16.918 13.096 ( -3.724 0.360 -10.523) 11.168 13.263 ( -7.582 -7.655 -10.007) 14.705 13.360 ( -8.007 -3.614 -0.144) 8.786 13.631 ( -7.626 -1.593 1.522) 7.938 13.784 ( 1.739 -1.720 -9.427) 9.739 14.050 ( -9.485 -4.826 -2.883) 11.026 14.138 ( -5.004 -0.564 -0.270) 5.043 14.316 ( 0.866 -2.239 4.619) 5.206 14.384 ( -5.336 -4.249 4.202) 8.011 14.469 ( 5.472 4.297 7.466) 10.205 14.940 ( 7.593 4.893 7.051) 11.459 15.136 ( 14.156 8.699 -2.620) 16.820 15.456 ( -0.404 -3.182 13.361) 13.741 15.724 ( -4.677 -0.763 3.159) 5.695 15.899 ( -13.657 -2.284 5.772) 15.001 16.119 ( 3.032 -7.935 7.850) 11.566 16.272 ( 0.825 4.879 8.903) 10.186 16.546 ( 8.374 6.288 1.368) 10.561 16.672 ( 3.686 0.818 1.827) 4.195 16.763 ( -4.034 -3.364 -1.662) 5.509 16.934 ( -4.223 -6.910 2.882) 8.596 17.143 ( -3.488 8.441 -8.140) 12.234 17.319 ( -0.005 -0.171 -3.452) 3.457 17.363 ( 4.730 0.430 -3.003) 5.619 17.510 ( 2.540 5.270 4.542) 7.406 17.661 ( 11.574 -3.758 8.308) 14.734 17.881 ( 5.532 3.815 1.982) 7.006 18.054 ( 14.472 9.555 2.728) 17.555 18.365 ( 5.124 12.362 -1.350) 13.450 18.541 ( 8.930 -4.605 -1.911) 10.228 18.670 ( 11.756 9.229 -1.653) 15.037 18.876 ( 14.823 9.249 -3.366) 17.794 19.189 ( 12.732 6.353 5.987) 15.437 19.448 ( -5.663 -3.381 -9.071) 11.215 19.615 ( -0.665 1.349 -2.882) 3.250 19.664 ( 5.365 1.749 -2.020) 5.994 19.791 ( 3.408 2.094 -3.060) 5.036 20.346 ( -3.058 -1.717 -9.002) 9.661 20.577 ( -5.225 -1.238 -0.205) 5.374 20.660 ( 0.285 -1.718 -2.215) 2.817 20.698 ( 1.001 0.495 -3.786) 3.947 20.871 ( 6.087 3.759 2.413) 7.550 21.633 ( -9.096 -5.212 -7.378) 12.819 22.078 ( -6.615 -4.710 3.125) 8.701 22.162 ( -8.512 -4.105 -0.267) 9.454 22.414 ( -0.807 -0.331 -2.246) 2.409 23.012 ( 6.629 3.428 7.673) 10.704 23.214 ( -13.003 -7.082 5.697) 15.865 23.738 ( -15.985 -9.731 11.996) 22.229 23.899 ( -10.161 -5.398 12.371) 16.894 24.306 ( -6.013 -3.506 7.162) 9.987 24.452 ( -4.303 -2.755 -7.857) 9.372 25.117 ( -4.969 -2.127 0.352) 5.417 25.185 ( -15.741 -9.196 7.491) 19.709 25.303 ( 3.469 1.436 3.774) 5.323 25.583 ( -0.636 -0.356 -1.946) 2.078 25.614 ( 0.041 -0.225 -1.738) 1.753 25.661 ( -0.002 0.407 0.171) 0.442 25.695 ( -1.964 -1.060 -0.322) 2.255 25.774 ( 2.607 1.147 -0.117) 2.851 25.829 ( 1.154 0.705 -0.225) 1.371 25.865 ( 5.292 3.032 1.032) 6.186 25.921 ( 0.227 0.513 4.743) 4.777 26.161 ( -3.913 -2.406 1.080) 4.719 26.240 ( -0.277 -0.220 -1.494) 1.536 26.481 ( -3.546 -1.425 -0.066) 3.822 26.544 ( -1.448 -2.045 2.000) 3.206 26.640 ( -0.755 0.513 2.369) 2.539 26.926 ( 3.508 1.733 0.357) 3.929 27.096 ( -5.323 -3.082 -3.945) 7.307 27.357 ( -4.028 -2.677 -4.723) 6.760 27.663 ( -2.117 -1.582 3.378) 4.289 27.756 ( -6.762 -4.234 0.841) 8.023 28.067 ( 6.619 8.184 -1.292) 10.604 28.113 ( 5.764 -0.511 -2.197) 6.190 28.161 ( 3.411 3.368 2.482) 5.398 28.415 ( 7.074 3.277 4.043) 8.782 28.471 ( 0.691 0.100 -2.161) 2.271 28.700 ( -0.805 2.822 -4.652) 5.500 28.964 ( 14.407 0.758 2.961) 14.727 29.178 ( 16.248 12.916 1.508) 20.810 29.306 ( 1.907 3.813 4.154) 5.953 29.373 ( 5.043 1.616 2.730) 5.958 29.525 ( 1.988 1.152 -8.654) 8.954 29.843 ( 0.796 0.232 -1.017) 1.312 29.978 ( 10.974 5.843 1.672) 12.545 30.205 ( 7.961 5.094 -5.671) 11.022 30.459 ( 1.153 0.506 -10.745) 10.819 30.570 ( 2.878 1.571 -9.152) 9.721 30.796 ( -0.722 -0.868 -6.230) 6.332 30.916 ( -1.316 -0.123 -1.714) 2.164 31.048 ( -0.026 -0.211 -3.647) 3.654 31.176 ( 1.165 0.795 3.142) 3.444 31.535 ( -1.107 -1.124 -2.389) 2.863 31.686 ( -2.793 -0.998 11.691) 12.062 31.785 ( -3.864 -2.513 12.884) 13.684 32.259 ( 17.797 10.312 -30.771) 37.013 32.803 ( 21.704 12.483 -23.612) 34.416 32.921 ( -6.946 -3.979 -8.443) 11.635 33.103 ( -3.590 -2.041 -3.399) 5.348 33.379 ( -3.176 -1.857 -2.300) 4.339 33.500 ( -4.871 -2.805 -2.623) 6.203 39.348 ( -1.443 -0.833 13.093) 13.198 39.884 ( -32.943 -19.019 40.631) 55.659 ======================= Grid point 45 (11/32) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 15.467 9.040 12.442) 21.811 1.766 ( 21.097 12.244 13.834) 28.043 2.168 ( 2.169 -0.905 3.581) 4.283 2.189 ( 2.787 4.095 4.220) 6.507 2.375 ( -0.369 -0.805 2.470) 2.624 2.611 ( 2.527 2.790 0.268) 3.774 2.663 ( -0.304 0.702 1.576) 1.752 2.682 ( 3.982 -0.712 2.679) 4.852 2.768 ( 0.343 -1.718 1.001) 2.018 2.845 ( 1.191 2.759 6.108) 6.807 2.965 ( 1.163 0.282 1.181) 1.681 3.079 ( 3.520 2.076 1.011) 4.210 3.131 ( 2.899 1.357 2.335) 3.962 3.213 ( 4.432 4.037 4.299) 7.377 3.380 ( 2.239 6.805 -0.801) 7.208 3.544 ( 3.482 -7.046 -0.880) 7.909 3.590 ( -0.974 -1.561 -0.881) 2.040 3.670 ( 1.423 5.242 -0.261) 5.438 3.789 ( -1.719 1.316 0.945) 2.362 3.917 ( 5.929 1.505 -0.071) 6.117 3.971 ( 3.069 1.677 -0.613) 3.550 4.048 ( 5.156 3.090 -1.922) 6.311 4.093 ( 2.340 1.366 -3.433) 4.373 4.391 ( 1.570 -1.931 2.515) 3.538 4.489 ( 3.912 4.573 3.703) 7.066 4.811 ( 10.642 1.917 2.742) 11.156 4.929 ( 0.886 8.118 -1.963) 8.399 5.127 ( 13.658 2.620 5.881) 15.099 5.277 ( 1.061 6.841 1.859) 7.168 5.343 ( 7.243 -0.861 4.015) 8.326 5.727 ( 1.534 2.220 -1.063) 2.900 5.974 ( -0.693 1.882 -8.895) 9.118 6.049 ( 7.537 -2.112 -4.220) 8.892 6.305 ( 2.963 7.426 -2.013) 8.244 6.398 ( 3.788 3.263 0.609) 5.036 6.550 ( -0.204 -1.481 3.982) 4.253 6.616 ( 5.063 -0.735 5.030) 7.175 6.804 ( 8.807 5.114 2.725) 10.542 7.127 ( 2.924 11.542 2.031) 12.078 7.195 ( 12.571 -0.287 3.597) 13.078 7.516 ( 0.844 3.862 -0.686) 4.012 7.694 ( 0.194 0.548 -4.716) 4.752 7.877 ( 6.184 -1.658 -0.785) 6.451 8.062 ( -3.171 -1.869 3.274) 4.927 8.513 ( 2.676 0.330 -10.065) 10.420 8.829 ( -7.070 -3.580 -3.252) 8.566 8.929 ( 4.114 6.030 2.342) 7.666 9.164 ( -0.646 -0.395 0.389) 0.851 9.321 ( -10.374 -17.249 -1.841) 20.213 9.484 ( -11.015 1.714 1.408) 11.236 9.676 ( -4.111 0.445 9.221) 10.106 9.906 ( -4.569 -0.038 -6.244) 7.737 10.090 ( -2.910 -2.963 -5.948) 7.255 10.284 ( -12.605 -15.342 -0.126) 19.856 10.510 ( -14.766 -2.471 -2.986) 15.266 10.907 ( -18.259 1.145 0.040) 18.295 11.144 ( -0.257 -13.921 -1.227) 13.977 11.341 ( -2.898 -3.518 9.307) 10.363 11.592 ( -6.697 -7.157 -6.235) 11.617 11.956 ( -3.058 6.779 -12.606) 14.636 12.076 ( -5.880 -4.178 -10.472) 12.716 12.350 ( -0.910 4.247 -0.258) 4.351 12.477 ( -3.518 -10.477 -2.238) 11.276 12.728 ( -2.004 -1.825 -2.928) 3.990 12.925 ( -9.200 -0.118 -8.005) 12.196 13.076 ( -4.872 -8.511 -0.575) 9.824 13.211 ( -5.181 -0.548 -10.092) 11.357 13.506 ( -4.381 2.755 4.131) 6.622 13.766 ( -3.097 -3.204 -9.542) 10.531 13.900 ( -1.204 -1.056 -1.071) 1.927 14.036 ( -2.043 -3.386 3.259) 5.124 14.264 ( -1.591 2.448 -5.721) 6.423 14.329 ( 0.628 -5.516 10.561) 11.931 14.695 ( 9.456 7.613 7.541) 14.291 15.035 ( 0.941 0.283 13.250) 13.286 15.361 ( -5.718 -9.206 4.190) 11.619 15.463 ( 5.853 5.461 6.495) 10.309 15.583 ( -2.097 6.957 4.724) 8.667 15.775 ( -1.221 -1.560 8.189) 8.425 16.133 ( 4.831 -3.086 5.505) 7.948 16.301 ( -2.415 -0.243 5.969) 6.443 16.454 ( -6.711 -3.012 -1.174) 7.449 16.752 ( 5.554 -1.564 -1.483) 5.958 16.863 ( 2.849 1.026 0.742) 3.118 16.964 ( 7.208 4.648 -0.644) 8.601 17.104 ( -7.919 7.303 -4.504) 11.676 17.275 ( -4.670 0.139 -3.256) 5.695 17.369 ( 0.372 -3.427 -2.351) 4.172 17.612 ( 3.735 5.478 5.427) 8.568 17.819 ( 12.225 -9.541 4.321) 16.098 18.036 ( 3.800 3.920 -1.131) 5.575 18.486 ( 14.074 6.434 -2.653) 15.700 18.560 ( -0.984 9.872 -3.014) 10.368 18.789 ( 14.259 14.617 2.733) 20.602 19.024 ( 16.920 2.191 1.441) 17.122 19.167 ( -0.676 1.447 -7.428) 7.598 19.366 ( 10.998 -3.677 -1.290) 11.667 19.483 ( 1.490 1.923 0.444) 2.473 19.723 ( 11.248 15.654 -1.273) 19.318 19.818 ( 4.789 -1.181 -6.347) 8.038 20.000 ( 15.568 8.480 0.197) 17.729 20.181 ( -9.587 -4.899 -3.607) 11.354 20.452 ( -7.819 0.315 0.282) 7.831 20.603 ( -4.787 -5.737 2.252) 7.804 20.794 ( 7.962 3.692 -1.511) 8.906 21.027 ( 6.705 3.679 2.889) 8.175 21.355 ( -9.808 -6.979 -8.285) 14.613 21.803 ( -14.272 -9.092 0.306) 16.925 21.960 ( -6.931 -2.054 1.395) 7.363 22.365 ( -4.593 -1.825 -11.357) 12.385 22.777 ( -16.246 -10.478 5.967) 20.232 23.104 ( -7.479 -2.388 11.731) 14.116 23.375 ( -2.419 -5.719 12.777) 14.205 23.648 ( -10.604 -3.087 7.805) 13.524 24.213 ( -2.070 -0.082 9.296) 9.524 24.297 ( -4.567 -5.899 -4.997) 8.979 24.791 ( -14.283 -5.691 10.016) 18.350 24.939 ( -7.381 -4.549 2.744) 9.094 25.446 ( 5.419 1.517 -4.844) 7.425 25.564 ( 0.501 0.215 -1.026) 1.162 25.620 ( -0.031 0.894 0.251) 0.929 25.652 ( 1.298 0.496 0.032) 1.390 25.697 ( 1.065 0.769 0.404) 1.375 25.810 ( -0.801 0.048 1.978) 2.134 25.893 ( 5.867 0.366 -0.648) 5.914 25.954 ( 1.582 3.825 0.199) 4.144 26.012 ( 3.137 3.470 1.812) 5.016 26.112 ( 1.081 -1.234 -1.074) 1.961 26.292 ( 0.856 0.113 -6.703) 6.759 26.405 ( -2.571 -0.079 1.306) 2.885 26.485 ( -1.506 -3.373 1.003) 3.827 26.628 ( -2.141 1.430 1.383) 2.923 26.853 ( -9.229 -5.862 5.126) 12.076 27.019 ( 3.772 1.413 -0.029) 4.028 27.281 ( -3.576 -2.616 -12.276) 13.051 27.634 ( -0.873 0.043 0.387) 0.956 27.713 ( 2.114 -0.807 6.651) 7.025 28.152 ( 0.212 0.926 -4.320) 4.423 28.229 ( 5.588 3.923 0.590) 6.853 28.338 ( 2.908 9.562 1.127) 10.058 28.498 ( 7.097 -4.404 -1.999) 8.588 28.599 ( 1.808 2.173 -1.067) 3.022 28.753 ( 1.972 5.870 -4.164) 7.462 29.158 ( 12.856 -10.832 1.731) 16.900 29.349 ( -5.462 7.732 0.847) 9.504 29.441 ( 2.870 1.158 -0.904) 3.224 29.554 ( 4.633 10.189 3.972) 11.877 29.670 ( 11.683 5.907 0.289) 13.095 29.941 ( 6.871 1.071 -1.621) 7.140 30.262 ( 10.881 4.548 1.633) 11.906 30.359 ( 4.671 2.026 -3.323) 6.080 30.417 ( -3.954 0.208 -7.303) 8.307 30.710 ( 4.765 1.217 -6.246) 7.950 30.793 ( 0.069 1.026 -5.204) 5.305 30.903 ( 1.245 0.590 -2.033) 2.456 31.066 ( -1.702 0.290 2.421) 2.974 31.219 ( 2.628 -0.317 1.906) 3.262 31.417 ( -3.746 -1.796 5.038) 6.530 31.613 ( -2.739 -0.382 8.071) 8.531 31.712 ( 1.109 -0.454 9.235) 9.312 32.473 ( 3.714 3.213 -15.126) 15.904 32.612 ( -14.548 -9.899 -5.565) 18.455 33.005 ( -3.940 -1.123 -12.522) 13.176 33.179 ( 4.388 2.083 -26.166) 26.613 33.305 ( -1.500 -1.506 -4.349) 4.841 33.366 ( -4.476 -2.061 -2.100) 5.356 39.306 ( -1.591 -0.926 14.086) 14.206 39.394 ( -9.454 -5.451 29.810) 31.744 ======================= Grid point 46 (12/32) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 0.000 7.981) 7.981 2.076 ( 0.000 0.000 2.899) 2.899 2.210 ( 0.000 0.000 1.737) 1.737 2.236 ( 0.000 0.000 5.947) 5.947 2.390 ( 0.000 0.000 3.937) 3.937 2.564 ( 0.000 0.000 7.491) 7.491 2.657 ( 0.000 -0.000 3.014) 3.014 2.713 ( 0.000 0.000 -0.232) 0.232 2.743 ( 0.000 -0.000 -0.764) 0.764 2.810 ( 0.000 0.000 2.156) 2.156 2.986 ( 0.000 0.000 1.752) 1.752 3.115 ( 0.000 0.000 1.755) 1.755 3.177 ( 0.000 0.000 -0.714) 0.714 3.280 ( 0.000 0.000 1.405) 1.405 3.491 ( 0.000 0.000 -2.871) 2.871 3.516 ( 0.000 -0.000 -3.338) 3.338 3.575 ( 0.000 0.000 3.472) 3.472 3.714 ( 0.000 0.000 1.337) 1.337 3.770 ( 0.000 0.000 2.057) 2.057 3.994 ( 0.000 0.000 1.148) 1.148 4.053 ( 0.000 0.000 -1.046) 1.046 4.116 ( -0.000 0.000 1.026) 1.026 4.120 ( 0.000 -0.000 -4.879) 4.879 4.365 ( 0.000 0.000 1.357) 1.357 4.653 ( 0.000 0.000 -0.518) 0.518 4.791 ( 0.000 0.000 1.823) 1.823 5.135 ( -0.000 -0.000 6.175) 6.175 5.177 ( 0.000 0.000 3.050) 3.050 5.313 ( 0.000 0.000 2.207) 2.207 5.523 ( 0.000 0.000 3.708) 3.708 5.767 ( 0.000 -0.000 0.446) 0.446 5.962 ( 0.000 0.000 -7.594) 7.594 6.170 ( -0.000 -0.000 0.737) 0.737 6.200 ( 0.000 0.000 2.558) 2.558 6.460 ( 0.000 0.000 6.447) 6.447 6.551 ( 0.000 0.000 -2.343) 2.343 6.781 ( 0.000 0.000 -1.511) 1.511 6.850 ( 0.000 0.000 3.773) 3.773 7.298 ( 0.000 0.000 5.377) 5.377 7.386 ( -0.000 -0.000 -0.765) 0.765 7.648 ( 0.000 -0.000 -3.241) 3.241 7.691 ( -0.000 0.000 -5.136) 5.136 7.926 ( 0.000 0.000 2.829) 2.829 7.945 ( -0.000 0.000 -4.447) 4.447 8.493 ( 0.000 0.000 -5.722) 5.722 8.762 ( 0.000 -0.000 -8.487) 8.487 8.958 ( 0.000 0.000 5.157) 5.157 9.117 ( 0.000 0.000 -0.559) 0.559 9.189 ( 0.000 0.000 4.219) 4.219 9.326 ( 0.000 0.000 3.832) 3.832 9.579 ( 0.000 0.000 4.859) 4.859 9.850 ( 0.000 -0.000 -6.201) 6.201 10.032 ( 0.000 0.000 6.468) 6.468 10.066 ( 0.000 -0.000 1.404) 1.404 10.478 ( 0.000 0.000 -6.539) 6.539 10.651 ( 0.000 0.000 -8.393) 8.393 11.054 ( 0.000 0.000 -0.493) 0.493 11.265 ( 0.000 0.000 3.623) 3.623 11.487 ( 0.000 0.000 1.919) 1.919 11.932 ( 0.000 0.000 -21.757) 21.757 12.014 ( 0.000 0.000 -10.978) 10.978 12.326 ( 0.000 0.000 0.360) 0.360 12.430 ( 0.000 0.000 -0.075) 0.075 12.718 ( 0.000 0.000 -3.819) 3.819 12.808 ( 0.000 -0.000 -8.685) 8.685 12.970 ( 0.000 0.000 5.841) 5.841 13.162 ( 0.000 0.000 -15.158) 15.158 13.501 ( 0.000 -0.000 4.268) 4.268 13.695 ( 0.000 0.000 -6.104) 6.104 13.876 ( 0.000 -0.000 -1.090) 1.090 14.017 ( 0.000 0.000 5.296) 5.296 14.267 ( 0.000 0.000 -7.251) 7.251 14.304 ( 0.000 0.000 9.531) 9.531 14.871 ( 0.000 0.000 8.796) 8.796 15.100 ( 0.000 -0.000 6.053) 6.053 15.126 ( -0.000 0.000 13.196) 13.196 15.527 ( 0.000 0.000 9.306) 9.306 15.643 ( 0.000 0.000 12.271) 12.271 15.772 ( 0.000 0.000 -2.644) 2.644 16.199 ( 0.000 0.000 -3.805) 3.805 16.230 ( 0.000 0.000 14.472) 14.472 16.376 ( 0.000 0.000 -3.627) 3.627 16.791 ( 0.000 0.000 2.681) 2.681 16.930 ( 0.000 0.000 -4.801) 4.801 17.010 ( 0.000 0.000 -0.987) 0.987 17.129 ( 0.000 0.000 1.776) 1.776 17.190 ( 0.000 0.000 -6.142) 6.142 17.346 ( 0.000 0.000 -4.484) 4.484 17.709 ( 0.000 0.000 7.951) 7.951 17.881 ( 0.000 -0.000 -2.366) 2.366 18.094 ( 0.000 0.000 2.975) 2.975 18.535 ( 0.000 0.000 -1.070) 1.070 18.779 ( 0.000 -0.000 -5.056) 5.056 18.888 ( 0.000 0.000 -5.790) 5.790 19.219 ( -0.000 0.000 3.209) 3.209 19.305 ( 0.000 0.000 -1.730) 1.730 19.393 ( 0.000 0.000 0.220) 0.220 19.598 ( 0.000 0.000 -10.622) 10.622 19.743 ( -0.000 -0.000 0.154) 0.154 19.967 ( -0.000 0.000 1.676) 1.676 20.157 ( 0.000 0.000 4.365) 4.365 20.226 ( 0.000 0.000 -0.863) 0.863 20.315 ( -0.000 -0.000 0.591) 0.591 20.521 ( 0.000 0.000 0.355) 0.355 20.947 ( 0.000 0.000 1.106) 1.106 21.123 ( 0.000 0.000 -9.638) 9.638 21.193 ( 0.000 0.000 0.777) 0.777 21.542 ( 0.000 0.000 -1.274) 1.274 21.890 ( 0.000 0.000 0.961) 0.961 22.282 ( 0.000 0.000 -13.715) 13.715 22.495 ( 0.000 -0.000 8.338) 8.338 22.973 ( 0.000 0.000 18.386) 18.386 23.405 ( 0.000 0.000 10.341) 10.341 23.491 ( 0.000 0.000 1.398) 1.398 24.197 ( 0.000 0.000 -5.075) 5.075 24.224 ( 0.000 -0.000 12.285) 12.285 24.608 ( 0.000 -0.000 10.091) 10.091 24.833 ( 0.000 0.000 3.503) 3.503 25.482 ( 0.000 0.000 -8.096) 8.096 25.585 ( 0.000 0.000 -0.329) 0.329 25.618 ( 0.000 0.000 0.356) 0.356 25.694 ( 0.000 0.000 0.579) 0.579 25.762 ( 0.000 0.000 1.168) 1.168 25.768 ( -0.000 -0.000 0.062) 0.062 26.000 ( 0.000 0.000 -0.549) 0.549 26.010 ( 0.000 0.000 0.089) 0.089 26.043 ( 0.000 0.000 -2.844) 2.844 26.103 ( -0.000 0.000 -2.843) 2.843 26.248 ( -0.000 -0.000 0.297) 0.297 26.389 ( 0.000 0.000 -2.315) 2.315 26.457 ( 0.000 0.000 4.192) 4.192 26.600 ( 0.000 0.000 0.782) 0.782 26.751 ( 0.000 0.000 6.286) 6.286 27.066 ( 0.000 0.000 -0.958) 0.958 27.215 ( 0.000 0.000 -11.693) 11.693 27.630 ( 0.000 0.000 -0.891) 0.891 27.729 ( 0.000 0.000 8.309) 8.309 28.160 ( 0.000 0.000 -4.946) 4.946 28.339 ( 0.000 0.000 3.429) 3.429 28.400 ( 0.000 0.000 -2.959) 2.959 28.550 ( 0.000 0.000 -1.339) 1.339 28.605 ( 0.000 0.000 1.275) 1.275 28.821 ( 0.000 0.000 -6.869) 6.869 29.270 ( 0.000 -0.000 -3.102) 3.102 29.275 ( -0.000 0.000 0.048) 0.048 29.465 ( 0.000 0.000 -3.964) 3.964 29.673 ( 0.000 0.000 8.008) 8.008 29.852 ( 0.000 -0.000 0.662) 0.662 30.030 ( 0.000 0.000 2.637) 2.637 30.315 ( -0.000 0.000 -8.696) 8.696 30.350 ( 0.000 0.000 -3.254) 3.254 30.612 ( -0.000 -0.000 3.540) 3.540 30.650 ( 0.000 0.000 0.990) 0.990 30.842 ( 0.000 -0.000 -2.764) 2.764 30.894 ( 0.000 0.000 -0.765) 0.765 30.993 ( 0.000 0.000 -4.211) 4.211 31.284 ( 0.000 0.000 3.262) 3.262 31.348 ( -0.000 0.000 10.258) 10.258 31.591 ( 0.000 0.000 4.549) 4.549 31.837 ( 0.000 0.000 3.308) 3.308 32.300 ( 0.000 0.000 -4.947) 4.947 32.540 ( 0.000 0.000 -10.348) 10.348 32.953 ( 0.000 0.000 -18.155) 18.155 33.186 ( 0.000 0.000 -14.255) 14.255 33.272 ( 0.000 0.000 -2.985) 2.985 33.336 ( 0.000 0.000 -7.656) 7.656 39.282 ( 0.000 0.000 21.892) 21.892 39.292 ( -0.000 -0.000 15.698) 15.698 ======================= Grid point 51 (13/32) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 13.019 22.006 14.480) 29.384 1.614 ( 12.460 22.043 16.782) 30.377 2.120 ( 2.032 3.144 6.254) 7.289 2.209 ( 2.718 4.356 1.425) 5.329 2.363 ( 0.396 1.217 4.800) 4.968 2.578 ( 2.954 3.898 -0.289) 4.899 2.642 ( 0.291 3.466 2.388) 4.219 2.692 ( 2.361 4.172 3.480) 5.924 2.764 ( 1.200 3.314 2.777) 4.487 2.837 ( 8.515 12.112 8.168) 16.909 2.956 ( 0.558 3.304 1.485) 3.665 3.067 ( -1.636 -1.500 0.527) 2.281 3.098 ( 0.517 2.595 0.196) 2.653 3.148 ( 3.796 0.824 3.651) 5.331 3.381 ( 4.888 -3.595 1.523) 6.256 3.504 ( -5.111 8.143 -1.900) 9.800 3.656 ( 0.844 2.905 -1.492) 3.373 3.676 ( 2.277 0.786 -0.928) 2.581 3.794 ( 5.215 -1.071 -0.597) 5.357 3.874 ( -1.070 4.336 0.172) 4.469 3.917 ( 1.431 2.731 -0.090) 3.085 4.031 ( 2.262 3.089 -2.450) 4.546 4.055 ( 1.657 3.890 -1.889) 4.631 4.391 ( -0.006 3.219 2.648) 4.168 4.484 ( 1.750 1.026 3.691) 4.211 4.679 ( 5.032 9.327 1.320) 10.679 4.918 ( 5.904 4.626 1.113) 7.583 5.056 ( 2.679 10.646 3.693) 11.582 5.237 ( 4.192 4.225 0.547) 5.977 5.351 ( 3.074 7.786 3.500) 9.073 5.734 ( 3.030 0.581 -2.397) 3.907 5.936 ( 3.275 9.310 -5.162) 11.138 6.054 ( -1.600 7.035 -7.946) 10.733 6.265 ( 10.826 1.976 -7.557) 13.350 6.400 ( 2.807 3.151 2.640) 4.978 6.508 ( -3.004 5.349 0.664) 6.171 6.635 ( 5.952 3.159 7.498) 10.081 6.690 ( -0.652 7.888 7.322) 10.782 6.986 ( 1.328 -3.756 -0.299) 3.995 7.219 ( 4.520 9.168 3.688) 10.867 7.508 ( 2.843 0.362 1.058) 3.055 7.670 ( 0.509 1.702 -3.694) 4.099 7.859 ( -1.947 2.798 0.562) 3.455 8.074 ( -1.981 -3.820 3.730) 5.695 8.510 ( 0.214 1.297 -10.919) 10.998 8.840 ( 0.723 1.449 0.672) 1.753 8.920 ( 3.090 1.637 -1.378) 3.759 9.160 ( -2.572 -4.402 2.938) 5.885 9.374 ( -10.908 -9.187 -0.618) 14.275 9.627 ( 0.533 -11.571 -7.765) 13.945 9.644 ( -2.908 -3.523 8.037) 9.245 9.885 ( -2.022 -3.365 -6.273) 7.400 10.159 ( 1.140 0.448 -5.858) 5.985 10.372 ( -14.817 -15.583 -0.172) 21.504 10.669 ( -7.174 -20.477 -0.098) 21.698 10.954 ( -1.312 -16.261 -0.485) 16.321 11.218 ( -10.573 -1.324 4.292) 11.487 11.373 ( -2.950 -1.687 5.920) 6.826 11.709 ( -7.097 0.229 -7.918) 10.636 11.893 ( 5.842 -7.790 -10.780) 14.527 12.185 ( -0.307 -6.773 -4.119) 7.933 12.281 ( -0.935 -3.104 -2.487) 4.086 12.490 ( -9.036 -1.155 -2.498) 9.445 12.765 ( -4.157 -8.281 -6.291) 11.199 12.922 ( -1.602 -11.203 -7.830) 13.761 13.136 ( -10.561 -5.439 -3.672) 12.433 13.296 ( 3.064 -4.353 -3.581) 6.416 13.528 ( -2.243 -8.814 -5.684) 10.725 13.756 ( 0.047 -8.855 -3.221) 9.423 13.856 ( -6.538 5.091 2.865) 8.768 14.111 ( -0.284 -2.391 2.933) 3.795 14.231 ( 3.713 -7.810 -0.447) 8.659 14.317 ( -7.479 4.639 1.321) 8.899 14.734 ( 8.916 11.921 6.234) 16.139 14.990 ( -1.708 -3.046 13.813) 14.247 15.306 ( 0.067 3.419 4.736) 5.842 15.437 ( 0.527 6.153 1.027) 6.260 15.647 ( 3.320 -8.969 4.218) 10.453 15.806 ( -0.255 -3.598 12.856) 13.352 16.051 ( -3.879 5.591 8.130) 10.602 16.377 ( -3.051 -1.815 3.976) 5.330 16.478 ( 0.262 -7.434 0.316) 7.445 16.709 ( -2.788 0.970 0.456) 2.987 16.800 ( 0.493 5.723 -2.327) 6.198 16.892 ( 4.721 6.398 -0.321) 7.957 17.215 ( 9.565 -5.069 -2.845) 11.193 17.310 ( 1.146 -2.536 -4.226) 5.060 17.386 ( -3.040 3.752 -1.677) 5.112 17.606 ( 8.703 3.746 3.582) 10.130 17.855 ( -16.251 18.205 3.589) 24.666 18.058 ( 8.183 10.752 3.637) 13.993 18.194 ( 12.370 7.149 -4.477) 14.972 18.458 ( 9.059 1.255 0.483) 9.158 18.764 ( 5.751 8.113 -0.528) 9.958 18.993 ( 5.758 16.368 -0.839) 17.371 19.084 ( 8.426 11.242 -0.770) 14.070 19.312 ( -5.034 7.033 -2.969) 9.145 19.472 ( 4.205 4.824 -1.735) 6.631 19.668 ( 8.623 0.918 -4.960) 9.990 19.773 ( 1.911 11.929 -3.318) 12.528 19.905 ( 6.409 9.737 -0.030) 11.657 20.284 ( -3.115 -5.383 -5.899) 8.572 20.462 ( 0.269 -7.473 0.966) 7.540 20.632 ( -5.095 -2.574 0.921) 5.782 20.749 ( 2.879 5.140 -1.936) 6.201 20.982 ( 2.944 5.462 3.737) 7.244 21.414 ( -7.335 -11.773 -7.714) 15.872 21.915 ( -7.759 -10.633 1.634) 13.264 22.025 ( -1.970 -6.938 0.041) 7.213 22.366 ( -3.252 -6.807 -10.336) 12.796 22.900 ( -9.657 -14.362 10.328) 20.154 23.122 ( 2.530 1.161 4.781) 5.532 23.513 ( -9.544 -8.339 10.417) 16.405 23.677 ( -3.518 -13.194 13.321) 19.076 24.179 ( -4.271 -7.379 6.896) 10.966 24.302 ( -6.621 -8.728 -2.104) 11.155 24.815 ( -10.046 -19.248 7.296) 22.905 25.174 ( 3.175 1.591 3.394) 4.913 25.327 ( -1.207 3.319 -2.100) 4.109 25.565 ( -0.805 -1.427 -2.118) 2.677 25.608 ( 0.511 -0.176 -0.897) 1.047 25.643 ( -0.315 -0.766 0.162) 0.844 25.698 ( 0.788 1.418 0.508) 1.700 25.811 ( 1.248 1.194 0.144) 1.733 25.861 ( -1.082 2.911 1.058) 3.281 25.933 ( 3.121 1.072 3.187) 4.588 25.982 ( 4.325 5.747 -0.177) 7.195 26.121 ( -0.931 0.442 0.138) 1.040 26.271 ( 0.362 1.308 -6.958) 7.089 26.425 ( -0.600 -3.550 1.513) 3.906 26.499 ( -2.963 -1.114 1.005) 3.321 26.639 ( 1.287 -1.596 1.314) 2.436 26.919 ( -6.478 -10.679 2.657) 12.770 26.990 ( 1.310 3.543 0.529) 3.814 27.319 ( -2.065 -2.257 -11.526) 11.925 27.646 ( 0.688 0.057 1.221) 1.403 27.733 ( -0.997 2.194 4.520) 5.123 28.122 ( 3.576 4.242 -1.407) 5.724 28.185 ( 4.586 1.768 1.973) 5.296 28.260 ( 3.433 2.432 -2.483) 4.885 28.509 ( -1.323 9.437 -2.069) 9.751 28.573 ( 4.290 5.497 0.768) 7.015 28.754 ( 7.723 0.787 -5.207) 9.347 29.084 ( -11.639 7.126 5.401) 14.677 29.307 ( 1.535 -2.548 -0.434) 3.006 29.378 ( 6.204 3.575 5.685) 9.143 29.487 ( 10.042 6.350 -0.192) 11.883 29.659 ( 4.190 9.629 -3.128) 10.957 29.920 ( 2.771 8.047 -1.312) 8.611 30.157 ( 5.731 11.577 2.497) 13.157 30.384 ( 3.952 7.156 -6.157) 10.234 30.536 ( 6.094 3.104 -9.860) 11.999 30.627 ( -0.551 6.187 -6.269) 8.825 30.774 ( -0.209 -0.089 -4.882) 4.887 30.917 ( 0.783 -0.040 -2.047) 2.192 31.064 ( 1.073 1.589 1.615) 2.507 31.209 ( 1.869 3.145 1.119) 3.825 31.423 ( -5.253 -7.465 5.257) 10.534 31.643 ( 0.393 -3.226 8.020) 8.654 31.695 ( -4.078 -3.997 11.868) 13.170 32.424 ( 1.758 2.523 -15.680) 15.978 32.734 ( -6.437 -9.915 -8.925) 14.812 33.035 ( -0.790 -3.762 -8.938) 9.730 33.120 ( 3.874 8.010 -31.594) 32.823 33.312 ( -2.032 -2.982 -2.710) 4.513 33.398 ( -3.159 -5.833 -1.627) 6.830 39.317 ( -1.040 -1.795 13.551) 13.709 39.471 ( -8.016 -13.891 33.848) 37.455 ======================= Grid point 52 (14/32) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 2.031 13.453 7.152) 15.371 2.045 ( 8.717 9.444 3.621) 13.352 2.190 ( 3.714 4.450 4.974) 7.638 2.276 ( -1.057 2.201 2.183) 3.275 2.337 ( 1.469 -0.670 5.594) 5.823 2.576 ( -2.931 -4.244 2.900) 5.917 2.675 ( 1.134 0.989 -0.031) 1.505 2.717 ( -1.440 0.606 0.874) 1.790 2.821 ( -1.814 3.771 4.538) 6.173 2.880 ( -4.769 2.440 -0.396) 5.371 3.001 ( 1.259 2.090 0.755) 2.554 3.081 ( 2.795 -2.725 2.299) 4.530 3.124 ( -0.330 0.818 2.201) 2.371 3.294 ( 3.842 1.391 -0.073) 4.087 3.416 ( 1.282 -1.083 0.258) 1.698 3.538 ( 1.401 4.588 -2.686) 5.498 3.662 ( -2.935 4.877 2.166) 6.091 3.720 ( 0.189 -0.517 2.397) 2.460 3.834 ( -4.099 2.644 -0.949) 4.969 3.927 ( 7.605 -0.364 1.281) 7.721 4.010 ( 1.870 3.889 1.799) 4.675 4.095 ( 2.194 0.228 -1.322) 2.572 4.144 ( 1.145 3.020 -1.632) 3.618 4.384 ( -1.479 1.548 -0.550) 2.211 4.603 ( 5.070 2.049 0.761) 5.521 4.818 ( 1.070 2.526 0.651) 2.819 5.039 ( -0.031 1.137 8.040) 8.120 5.252 ( 6.969 8.796 -0.616) 11.239 5.318 ( 4.095 0.613 0.267) 4.149 5.475 ( 0.512 5.811 4.282) 7.237 5.839 ( 0.367 7.651 1.115) 7.741 6.048 ( -2.396 2.346 -5.817) 6.714 6.146 ( 2.471 10.864 -1.085) 11.194 6.257 ( -6.727 -10.193 3.433) 12.686 6.423 ( 0.395 0.515 3.602) 3.660 6.543 ( 5.561 0.642 -0.967) 5.680 6.738 ( -0.440 9.857 2.457) 10.168 6.890 ( 5.210 2.797 2.152) 6.293 7.109 ( 12.262 -4.192 -3.198) 13.347 7.397 ( 3.839 7.759 5.117) 10.056 7.647 ( 3.666 4.315 -2.869) 6.348 7.681 ( 1.546 1.002 -4.720) 5.067 7.793 ( 0.242 -5.406 -4.600) 7.102 7.998 ( -2.334 -2.377 4.920) 5.942 8.476 ( -3.915 -9.497 -5.074) 11.457 8.659 ( -5.698 -13.687 -0.193) 14.827 8.969 ( 1.192 -0.126 -0.718) 1.397 9.145 ( 4.361 9.474 3.032) 10.861 9.230 ( -4.150 4.500 -2.477) 6.604 9.454 ( -7.104 -4.955 1.052) 8.725 9.535 ( 1.444 -10.584 1.730) 10.821 9.854 ( -2.234 -2.451 4.201) 5.353 9.973 ( -6.450 -11.088 1.794) 12.952 10.175 ( -4.304 5.759 0.411) 7.202 10.479 ( 1.891 -1.768 -8.097) 8.501 10.725 ( -7.845 -10.406 -5.907) 14.308 11.099 ( -3.441 7.656 -1.751) 8.574 11.306 ( -1.797 2.063 4.860) 5.577 11.584 ( -7.643 4.835 1.841) 9.229 11.894 ( 3.455 -12.587 -12.025) 17.747 12.045 ( -6.889 0.095 -14.172) 15.758 12.235 ( 4.349 -5.960 -5.169) 9.009 12.367 ( -0.164 -8.466 -1.156) 8.547 12.664 ( -0.420 -1.592 -8.682) 8.836 12.813 ( 3.151 -7.473 1.506) 8.249 12.941 ( -5.835 -0.467 -10.117) 11.688 13.231 ( -8.564 -2.707 -2.067) 9.217 13.369 ( 7.591 -15.506 -5.708) 18.183 13.739 ( -3.616 4.994 1.081) 6.260 13.859 ( 1.545 3.560 7.153) 8.138 14.101 ( -1.671 2.288 0.270) 2.846 14.186 ( 1.159 -8.446 -0.947) 8.577 14.327 ( -0.115 7.439 2.405) 7.819 14.875 ( 3.859 -9.916 6.752) 12.602 14.971 ( 1.271 8.571 5.653) 10.346 15.194 ( -5.235 -6.532 13.004) 15.465 15.588 ( 1.602 5.528 6.219) 8.473 15.671 ( 2.856 1.754 2.902) 4.433 15.735 ( -2.671 -1.764 9.515) 10.038 16.128 ( 4.134 3.675 7.700) 9.481 16.266 ( -2.477 -2.338 4.304) 5.489 16.372 ( -2.975 -4.226 -0.199) 5.172 16.747 ( -0.430 1.035 -0.754) 1.350 16.873 ( 5.958 -0.687 -3.396) 6.893 17.020 ( 2.027 2.787 -1.672) 3.830 17.222 ( -4.800 -0.720 -4.173) 6.401 17.334 ( 1.389 -1.063 -0.812) 1.929 17.373 ( -2.150 4.880 -5.488) 7.652 17.721 ( -10.798 12.240 5.507) 17.226 17.885 ( 10.633 9.350 2.997) 14.473 18.224 ( -4.540 13.156 -1.230) 13.971 18.518 ( 1.277 -9.240 1.553) 9.456 18.561 ( 15.063 -0.725 -7.806) 16.981 18.923 ( -2.695 -3.233 -3.336) 5.371 19.043 ( 9.992 2.414 3.286) 10.792 19.344 ( 0.151 7.946 -2.979) 8.487 19.465 ( 4.555 3.570 -1.183) 5.907 19.531 ( 5.711 7.086 -1.768) 9.271 19.728 ( -4.224 -2.314 -5.704) 7.466 20.016 ( 4.582 5.907 1.487) 7.622 20.112 ( -2.454 -1.876 2.750) 4.136 20.239 ( 7.659 12.145 -3.419) 14.760 20.404 ( -10.347 -6.551 2.549) 12.508 20.533 ( 6.961 4.632 -1.550) 8.504 20.845 ( 3.075 -0.493 7.469) 8.093 21.100 ( 4.789 1.027 -3.495) 6.017 21.202 ( -6.446 -2.974 -8.973) 11.441 21.644 ( -8.255 -5.121 1.179) 9.786 21.950 ( -1.418 0.584 -1.060) 1.864 22.101 ( -4.416 -17.830 -6.697) 19.552 22.727 ( -6.844 6.432 4.376) 10.362 23.062 ( -6.109 -1.684 9.702) 11.588 23.302 ( -0.413 -3.737 8.048) 8.883 23.550 ( -2.818 -4.170 8.571) 9.939 24.012 ( 2.177 -14.438 1.655) 14.694 24.183 ( 1.940 -3.233 8.534) 9.330 24.476 ( -3.324 -16.133 10.225) 19.387 25.150 ( -12.866 15.688 0.220) 20.290 25.419 ( 6.365 -2.180 -7.256) 9.895 25.572 ( 0.892 0.215 -0.583) 1.087 25.618 ( 0.334 -0.974 0.289) 1.070 25.654 ( 3.665 0.400 0.153) 3.690 25.729 ( 1.192 0.237 0.694) 1.400 25.821 ( -1.607 -0.037 0.315) 1.638 25.907 ( 3.602 1.500 0.574) 3.944 25.993 ( 2.695 -0.185 0.098) 2.703 26.096 ( -0.611 -1.580 -3.132) 3.561 26.120 ( -0.885 5.098 -0.950) 5.261 26.209 ( -1.501 -5.901 -1.886) 6.375 26.385 ( -0.227 -2.990 0.755) 3.093 26.462 ( -1.107 2.665 1.144) 3.105 26.637 ( -0.658 -1.236 0.298) 1.431 26.743 ( -1.793 -2.690 5.995) 6.811 27.061 ( 1.552 2.435 0.485) 2.928 27.235 ( -2.782 -1.417 -12.696) 13.075 27.672 ( -1.201 2.658 1.393) 3.232 27.727 ( -0.089 0.555 5.013) 5.045 28.170 ( -0.081 1.407 -3.765) 4.020 28.333 ( 1.981 2.442 1.389) 3.438 28.412 ( 9.814 3.558 -0.136) 10.440 28.535 ( -4.902 4.786 -3.114) 7.525 28.702 ( 4.337 4.565 -2.553) 6.794 28.857 ( -12.852 -0.051 4.044) 13.473 28.918 ( 9.300 -4.976 -3.554) 11.130 29.283 ( 6.080 -10.494 -1.622) 12.236 29.523 ( 2.082 2.419 2.386) 3.985 29.636 ( 1.894 2.037 -1.544) 3.181 29.792 ( 1.920 0.123 0.705) 2.049 30.108 ( 2.098 12.370 2.668) 12.827 30.430 ( 6.791 10.665 -0.906) 12.676 30.449 ( -2.598 9.166 -6.193) 11.363 30.572 ( -6.763 7.309 -0.785) 9.989 30.700 ( 2.705 -1.376 -5.958) 6.686 30.853 ( 4.600 2.599 -2.223) 5.732 30.911 ( -0.438 -0.635 -1.924) 2.073 31.030 ( -8.266 -5.380 2.443) 10.161 31.193 ( 1.906 0.901 5.427) 5.822 31.428 ( -1.207 4.703 3.908) 6.232 31.604 ( -0.798 -0.319 6.931) 6.984 31.693 ( 11.081 -0.712 5.136) 12.234 32.238 ( -7.826 -18.614 -4.020) 20.589 32.668 ( -2.248 9.457 -14.214) 17.220 32.966 ( -2.364 -2.614 -16.522) 16.894 33.120 ( 1.157 -7.163 -16.258) 17.804 33.267 ( -1.177 -1.232 -1.974) 2.608 33.322 ( 0.101 -2.263 -5.501) 5.949 39.282 ( -0.686 -1.121 16.259) 16.312 39.298 ( -2.015 -2.886 21.613) 21.898 ======================= Grid point 53 (15/32) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -12.313 4.720 7.113) 14.982 2.049 ( -14.139 -2.493 4.210) 14.962 2.199 ( -2.880 -1.425 3.959) 5.099 2.251 ( -1.953 2.231 4.363) 5.276 2.369 ( -1.696 -2.022 3.251) 4.187 2.570 ( 5.312 0.423 3.804) 6.547 2.672 ( -1.464 0.785 0.375) 1.703 2.711 ( 0.418 1.275 0.620) 1.478 2.815 ( 0.097 2.626 3.613) 4.468 2.895 ( -0.948 5.563 0.856) 5.708 3.013 ( -1.569 -0.595 0.143) 1.684 3.081 ( -0.926 -3.017 3.638) 4.816 3.125 ( 0.394 1.338 0.513) 1.486 3.260 ( -4.440 -3.064 -1.475) 5.593 3.393 ( -3.086 -1.147 1.982) 3.842 3.599 ( 0.898 -0.244 -4.359) 4.457 3.670 ( -2.442 6.106 2.950) 7.208 3.708 ( -1.253 1.093 3.086) 3.506 3.761 ( -3.189 -0.125 1.465) 3.512 3.989 ( -0.829 -3.363 -1.281) 3.693 4.008 ( -3.411 -0.373 1.131) 3.613 4.090 ( -3.477 -1.741 1.236) 4.080 4.138 ( -2.423 0.855 -3.466) 4.315 4.415 ( 1.701 1.840 -0.307) 2.524 4.564 ( -6.689 -2.570 0.448) 7.180 4.872 ( 2.162 -5.731 1.707) 6.358 5.005 ( -6.575 10.311 1.126) 12.281 5.186 ( -9.611 -8.558 6.226) 14.296 5.365 ( -2.332 1.806 1.999) 3.563 5.506 ( -5.138 -0.465 3.186) 6.064 5.825 ( -8.361 2.696 -0.520) 8.800 6.060 ( -5.188 4.660 -4.074) 8.076 6.127 ( 0.692 4.390 -2.673) 5.186 6.247 ( 5.956 -1.962 3.091) 6.991 6.430 ( -2.632 1.556 5.571) 6.355 6.578 ( -1.212 -2.738 -2.709) 4.038 6.775 ( -9.905 -3.396 3.523) 11.048 6.818 ( -1.562 3.811 -0.707) 4.179 7.093 ( -5.927 -11.220 0.280) 12.692 7.412 ( -7.172 -2.172 1.391) 7.622 7.583 ( -8.345 1.883 0.065) 8.555 7.674 ( 0.224 -1.339 -4.781) 4.970 7.879 ( 6.324 -4.888 -3.933) 8.908 8.013 ( 2.118 0.954 3.156) 3.919 8.468 ( 16.931 -0.558 -3.556) 17.309 8.648 ( 7.198 -2.937 -1.061) 7.846 8.986 ( -5.334 -0.787 -0.593) 5.424 9.163 ( -3.619 -0.099 2.169) 4.220 9.306 ( 6.640 9.654 -5.025) 12.749 9.345 ( 0.557 -0.568 2.171) 2.312 9.500 ( 4.201 -3.289 3.768) 6.532 9.846 ( 3.664 -0.494 6.298) 7.303 9.992 ( 11.684 1.119 -0.517) 11.749 10.230 ( 4.115 6.093 0.128) 7.353 10.439 ( -4.445 -4.373 -8.683) 10.690 10.648 ( 7.126 5.706 -2.005) 9.347 11.171 ( 2.520 1.832 -2.821) 4.203 11.373 ( -0.209 4.716 3.236) 5.723 11.615 ( 3.360 11.744 -0.169) 12.216 11.801 ( 3.321 -11.849 -6.896) 14.106 12.032 ( 2.594 6.619 -17.453) 18.845 12.229 ( 2.819 -8.886 -4.222) 10.234 12.376 ( 8.879 -2.064 -2.578) 9.473 12.726 ( 10.450 -2.815 -7.566) 13.205 12.780 ( -5.069 -4.806 -4.679) 8.408 12.974 ( 6.447 7.955 -1.044) 10.293 13.120 ( 4.581 -3.386 -4.678) 7.371 13.416 ( 8.214 -6.876 -7.246) 12.933 13.706 ( -4.403 3.979 3.738) 7.014 13.930 ( -0.320 3.424 6.140) 7.038 14.093 ( -0.210 -0.361 0.160) 0.447 14.134 ( 2.085 -4.085 -1.422) 4.802 14.383 ( -1.400 2.913 0.959) 3.371 14.857 ( 2.989 -6.127 7.698) 10.283 14.990 ( -6.085 -0.118 7.471) 9.636 15.173 ( 9.826 2.458 10.318) 14.459 15.594 ( -5.218 1.390 5.284) 7.556 15.633 ( -6.746 0.519 7.293) 9.948 15.746 ( 3.203 -0.287 7.320) 7.995 16.185 ( -3.874 -3.956 12.088) 13.295 16.262 ( 5.694 2.724 0.245) 6.316 16.350 ( 4.229 0.179 -1.445) 4.473 16.718 ( -0.685 -1.009 -0.009) 1.219 16.932 ( -1.208 -5.067 -5.157) 7.330 17.021 ( -2.311 0.732 -0.255) 2.438 17.150 ( -3.413 4.231 -1.251) 5.578 17.281 ( -3.895 3.348 -4.154) 6.605 17.420 ( 0.515 1.432 -4.456) 4.709 17.672 ( -7.155 7.854 5.214) 11.835 18.076 ( -2.760 3.921 -0.452) 4.816 18.225 ( -9.873 10.005 2.439) 14.266 18.400 ( -0.018 -11.034 0.502) 11.045 18.528 ( -4.058 -8.099 -4.304) 10.030 18.918 ( -3.667 -1.376 -0.811) 4.000 19.110 ( -2.620 -8.973 -6.537) 11.406 19.339 ( -6.761 1.129 -0.942) 6.919 19.389 ( 0.407 3.963 -1.139) 4.143 19.590 ( -2.774 -2.844 0.326) 3.986 19.823 ( -4.142 -0.792 -4.681) 6.301 19.964 ( -15.088 -1.241 0.214) 15.141 20.048 ( 7.025 6.060 0.758) 9.309 20.258 ( 0.451 -0.588 0.692) 1.014 20.408 ( -18.446 -1.228 -0.867) 18.507 20.488 ( 10.146 2.729 1.927) 10.682 20.894 ( -1.843 -4.412 5.625) 7.383 21.080 ( -1.977 -1.336 -3.242) 4.026 21.250 ( 5.449 0.803 -9.316) 10.822 21.616 ( 9.530 5.051 0.786) 10.815 21.944 ( -1.574 2.957 0.222) 3.357 22.096 ( 17.633 -5.571 -7.100) 19.809 22.726 ( -1.680 8.906 4.365) 10.059 23.053 ( 3.441 4.191 9.934) 11.318 23.384 ( 10.262 -2.951 8.583) 13.700 23.474 ( -0.956 1.850 7.100) 7.399 24.018 ( 11.102 -8.379 1.774) 14.021 24.209 ( 3.283 -4.775 10.364) 11.874 24.457 ( 14.891 -4.220 8.532) 17.673 25.133 ( -7.671 17.524 0.731) 19.144 25.445 ( -0.152 -4.760 -8.122) 9.416 25.569 ( -0.537 -1.492 -1.002) 1.876 25.616 ( 0.056 -0.496 0.593) 0.775 25.649 ( -2.348 -3.104 1.084) 4.040 25.736 ( -0.372 -0.871 1.044) 1.410 25.806 ( 0.060 1.289 -0.562) 1.408 25.931 ( -1.052 -2.289 1.731) 3.056 25.985 ( -3.630 -2.782 -0.847) 4.651 26.064 ( -1.306 1.805 -2.354) 3.241 26.136 ( 1.275 1.579 -2.406) 3.148 26.219 ( 4.468 -1.380 -1.037) 4.790 26.371 ( 1.773 -0.740 1.374) 2.362 26.493 ( 0.088 1.319 0.066) 1.323 26.598 ( -0.485 0.753 1.252) 1.540 26.755 ( 3.663 -0.079 6.004) 7.034 27.067 ( -2.346 -0.346 -0.047) 2.372 27.242 ( 2.986 1.731 -12.919) 13.372 27.661 ( -2.012 1.981 0.071) 2.825 27.745 ( 0.911 0.361 6.544) 6.617 28.163 ( -1.691 0.880 -4.213) 4.624 28.338 ( -3.446 -2.749 1.057) 4.533 28.362 ( -10.892 -0.725 0.959) 10.958 28.584 ( 1.600 3.599 -0.748) 4.009 28.661 ( -5.545 1.791 0.120) 5.829 28.789 ( -1.534 -0.661 -6.993) 7.190 29.070 ( 11.176 -2.223 1.890) 11.550 29.262 ( 4.916 -12.441 -1.655) 13.479 29.522 ( -5.439 1.662 0.317) 5.696 29.585 ( -5.886 -1.239 3.719) 7.072 29.787 ( -1.919 -0.170 -2.027) 2.796 30.132 ( -9.722 2.923 2.897) 10.557 30.386 ( -9.438 2.546 -1.832) 9.945 30.497 ( -5.365 8.746 -8.719) 13.465 30.578 ( -10.710 0.284 0.781) 10.742 30.722 ( 4.810 3.445 -1.437) 6.089 30.790 ( -3.986 -2.306 -3.661) 5.883 30.926 ( 0.984 -3.396 -2.250) 4.191 31.019 ( 4.139 5.339 -0.491) 6.773 31.266 ( 5.075 -3.026 6.068) 8.469 31.364 ( -7.663 4.416 7.111) 11.349 31.603 ( -0.172 0.795 4.157) 4.236 31.712 ( -4.245 -9.488 5.816) 11.911 32.231 ( 19.675 -2.188 -4.333) 20.265 32.683 ( -6.495 6.512 -13.910) 16.675 32.944 ( 3.091 0.453 -15.598) 15.908 33.130 ( 5.702 -4.276 -17.470) 18.868 33.283 ( 2.999 0.632 -1.753) 3.531 33.308 ( 0.689 -1.510 -5.459) 5.705 39.283 ( 1.283 0.015 16.139) 16.190 39.297 ( 3.537 0.321 21.732) 22.021 ======================= Grid point 58 (16/32) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.000 -0.000 -0.462) 0.462 2.139 ( -0.000 -0.000 3.224) 3.224 2.184 ( -0.000 -0.000 4.271) 4.271 2.327 ( -0.000 -0.000 1.686) 1.686 2.403 ( 0.000 -0.000 4.251) 4.251 2.483 ( -0.000 -0.000 7.199) 7.199 2.697 ( -0.000 -0.000 -0.917) 0.917 2.730 ( -0.000 -0.000 0.655) 0.655 2.826 ( -0.000 -0.000 6.075) 6.075 2.912 ( -0.000 -0.000 -1.838) 1.838 2.981 ( -0.000 -0.000 -0.068) 0.068 3.069 ( -0.000 -0.000 5.253) 5.253 3.201 ( 0.000 0.000 -3.003) 3.003 3.260 ( -0.000 -0.000 0.670) 0.670 3.445 ( -0.000 -0.000 1.433) 1.433 3.599 ( 0.000 -0.000 -5.296) 5.296 3.638 ( -0.000 -0.000 7.728) 7.728 3.794 ( -0.000 -0.000 -1.209) 1.209 3.848 ( -0.000 -0.000 0.624) 0.624 3.911 ( -0.000 -0.000 2.811) 2.811 4.093 ( -0.000 0.000 -0.364) 0.364 4.107 ( 0.000 -0.000 2.081) 2.081 4.155 ( -0.000 -0.000 0.123) 0.123 4.405 ( -0.000 -0.000 -1.979) 1.979 4.639 ( 0.000 -0.000 -3.200) 3.200 4.753 ( -0.000 -0.000 4.188) 4.188 5.206 ( -0.000 -0.000 6.673) 6.673 5.322 ( 0.000 0.000 -2.170) 2.170 5.389 ( -0.000 -0.000 1.801) 1.801 5.450 ( 0.000 -0.000 2.733) 2.733 5.979 ( -0.000 0.000 2.550) 2.550 5.985 ( 0.000 -0.000 4.596) 4.596 6.117 ( -0.000 -0.000 -4.053) 4.053 6.404 ( -0.000 0.000 -3.401) 3.401 6.408 ( 0.000 -0.000 8.644) 8.644 6.545 ( -0.000 -0.000 -1.692) 1.692 6.886 ( -0.000 -0.000 3.077) 3.077 6.933 ( -0.000 -0.000 -0.166) 0.166 7.006 ( 0.000 0.000 -8.970) 8.970 7.494 ( -0.000 0.000 2.464) 2.464 7.614 ( -0.000 -0.000 -8.401) 8.401 7.742 ( 0.000 0.000 3.454) 3.454 7.745 ( -0.000 -0.000 -5.189) 5.189 8.001 ( -0.000 -0.000 0.006) 0.006 8.200 ( -0.000 -0.000 8.475) 8.475 8.507 ( -0.000 -0.000 5.920) 5.920 9.137 ( 0.000 -0.000 -3.587) 3.587 9.159 ( -0.000 0.000 -7.186) 7.186 9.246 ( -0.000 -0.000 2.990) 2.990 9.380 ( -0.000 -0.000 -6.298) 6.298 9.525 ( -0.000 -0.000 -2.949) 2.949 9.777 ( -0.000 -0.000 6.369) 6.369 9.828 ( -0.000 -0.000 11.541) 11.541 10.244 ( -0.000 0.000 -0.761) 0.761 10.413 ( -0.000 -0.000 1.284) 1.284 10.698 ( 0.000 -0.000 -12.274) 12.274 11.178 ( -0.000 -0.000 -4.798) 4.798 11.459 ( -0.000 0.000 -3.095) 3.095 11.556 ( -0.000 -0.000 1.470) 1.470 11.713 ( 0.000 -0.000 3.050) 3.050 12.050 ( -0.000 -0.000 -13.538) 13.538 12.211 ( -0.000 -0.000 -10.357) 10.357 12.212 ( 0.000 0.000 -0.784) 0.784 12.537 ( -0.000 -0.000 -12.132) 12.132 12.788 ( -0.000 -0.000 -11.995) 11.995 13.020 ( -0.000 -0.000 1.379) 1.379 13.096 ( -0.000 -0.000 -4.907) 4.907 13.189 ( 0.000 -0.000 -1.534) 1.534 13.883 ( 0.000 0.000 14.112) 14.112 13.925 ( -0.000 -0.000 13.037) 13.037 13.988 ( 0.000 -0.000 -13.599) 13.599 14.132 ( -0.000 -0.000 -4.629) 4.629 14.561 ( 0.000 0.000 4.768) 4.768 14.587 ( -0.000 -0.000 2.265) 2.265 15.056 ( -0.000 -0.000 18.262) 18.262 15.144 ( -0.000 -0.000 -1.848) 1.848 15.641 ( -0.000 -0.000 5.604) 5.604 15.711 ( -0.000 -0.000 9.070) 9.070 15.718 ( -0.000 -0.000 9.389) 9.389 16.210 ( 0.000 -0.000 17.609) 17.609 16.227 ( -0.000 -0.000 -4.176) 4.176 16.301 ( -0.000 -0.000 0.494) 0.494 16.781 ( 0.000 -0.000 -5.291) 5.291 16.821 ( -0.000 -0.000 -3.007) 3.007 17.076 ( -0.000 -0.000 -0.500) 0.500 17.213 ( -0.000 -0.000 -3.865) 3.865 17.309 ( -0.000 -0.000 2.131) 2.131 17.421 ( -0.000 -0.000 -8.269) 8.269 17.991 ( 0.000 0.000 8.469) 8.469 18.011 ( -0.000 -0.000 -4.780) 4.780 18.248 ( 0.000 -0.000 3.152) 3.152 18.501 ( -0.000 -0.000 -12.590) 12.590 18.507 ( 0.000 -0.000 4.456) 4.456 18.890 ( -0.000 -0.000 -2.291) 2.291 19.147 ( -0.000 -0.000 -2.174) 2.174 19.346 ( -0.000 0.000 -1.155) 1.155 19.380 ( 0.000 -0.000 -2.357) 2.357 19.563 ( -0.000 -0.000 -2.539) 2.539 19.928 ( -0.000 -0.000 0.756) 0.756 20.004 ( -0.000 -0.000 2.832) 2.832 20.168 ( -0.000 -0.000 1.521) 1.521 20.256 ( -0.000 -0.000 5.490) 5.490 20.300 ( -0.000 -0.000 -7.254) 7.254 20.789 ( -0.000 -0.000 -9.247) 9.247 20.820 ( 0.000 -0.000 15.462) 15.462 21.039 ( 0.000 -0.000 -1.369) 1.369 21.103 ( -0.000 -0.000 -8.266) 8.266 21.697 ( 0.000 -0.000 -4.637) 4.637 21.796 ( -0.000 -0.000 -0.990) 0.990 21.998 ( -0.000 -0.000 -2.172) 2.172 22.884 ( 0.000 -0.000 1.207) 1.207 22.977 ( -0.000 -0.000 7.493) 7.493 23.228 ( -0.000 -0.000 9.809) 9.809 23.553 ( -0.000 -0.000 1.977) 1.977 23.788 ( 0.000 -0.000 10.566) 10.566 24.165 ( -0.000 0.000 7.388) 7.388 24.255 ( -0.000 -0.000 12.779) 12.779 25.353 ( -0.000 -0.000 -12.625) 12.625 25.503 ( -0.000 -0.000 -0.839) 0.839 25.536 ( 0.000 0.000 -0.308) 0.308 25.603 ( -0.000 -0.000 1.075) 1.075 25.623 ( 0.000 -0.000 1.922) 1.922 25.690 ( -0.000 -0.000 0.448) 0.448 25.820 ( -0.000 -0.000 -1.098) 1.098 25.951 ( -0.000 0.000 0.647) 0.647 25.967 ( -0.000 -0.000 0.003) 0.003 26.016 ( -0.000 -0.000 -1.084) 1.084 26.183 ( -0.000 -0.000 -1.203) 1.203 26.185 ( 0.000 0.000 -1.344) 1.344 26.339 ( -0.000 -0.000 2.886) 2.886 26.509 ( -0.000 -0.000 -1.180) 1.180 26.610 ( -0.000 -0.000 0.951) 0.951 26.722 ( -0.000 -0.000 4.910) 4.910 27.093 ( -0.000 -0.000 0.768) 0.768 27.224 ( -0.000 -0.000 -13.353) 13.353 27.689 ( -0.000 -0.000 5.291) 5.291 27.736 ( -0.000 -0.000 0.377) 0.377 28.210 ( -0.000 -0.000 -4.586) 4.586 28.321 ( 0.000 -0.000 2.649) 2.649 28.503 ( 0.000 -0.000 2.204) 2.204 28.607 ( -0.000 -0.000 -2.538) 2.538 28.738 ( -0.000 -0.000 -0.266) 0.266 28.787 ( -0.000 -0.000 -4.943) 4.943 29.005 ( 0.000 0.000 -0.565) 0.565 29.048 ( -0.000 -0.000 2.295) 2.295 29.531 ( -0.000 -0.000 0.616) 0.616 29.683 ( -0.000 -0.000 -1.664) 1.664 29.781 ( 0.000 -0.000 -1.230) 1.230 30.248 ( -0.000 -0.000 4.700) 4.700 30.604 ( -0.000 0.000 -4.817) 4.817 30.630 ( 0.000 0.000 -6.638) 6.638 30.652 ( -0.000 -0.000 6.139) 6.139 30.698 ( -0.000 -0.000 -6.946) 6.946 30.821 ( 0.000 0.000 -2.272) 2.272 30.881 ( -0.000 -0.000 5.402) 5.402 30.917 ( 0.000 -0.000 -4.510) 4.510 31.219 ( -0.000 -0.000 6.238) 6.238 31.594 ( 0.000 -0.000 3.138) 3.138 31.624 ( -0.000 -0.000 6.498) 6.498 31.700 ( -0.000 0.000 7.383) 7.383 31.893 ( -0.000 -0.000 -6.105) 6.105 32.863 ( 0.000 -0.000 -22.710) 22.710 32.914 ( -0.000 0.000 -11.122) 11.122 32.962 ( 0.000 -0.000 -15.347) 15.347 33.257 ( -0.000 -0.000 -0.882) 0.882 33.287 ( 0.000 -0.000 -2.742) 2.742 39.268 ( 0.000 0.000 17.616) 17.616 39.269 ( -0.000 -0.000 17.790) 17.790 ======================= Grid point 86 (17/32) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -0.000 -0.000 28.258) 28.258 1.518 ( 0.000 -0.000 33.757) 33.757 2.086 ( -0.000 0.000 0.875) 0.875 2.131 ( 0.000 0.000 3.477) 3.477 2.485 ( 0.000 -0.000 -1.485) 1.485 2.574 ( 0.000 0.000 23.768) 23.768 2.626 ( 0.000 -0.000 3.091) 3.091 2.631 ( -0.000 -0.000 0.002) 0.002 2.665 ( 0.000 -0.000 2.794) 2.794 2.682 ( 0.000 -0.000 27.965) 27.965 2.857 ( 0.000 -0.000 0.033) 0.033 3.014 ( 0.000 0.000 -7.139) 7.139 3.148 ( -0.000 0.000 6.117) 6.117 3.335 ( -0.000 0.000 -1.815) 1.815 3.377 ( 0.000 0.000 -10.834) 10.834 3.421 ( 0.000 0.000 15.361) 15.361 3.465 ( -0.000 -0.000 1.907) 1.907 3.543 ( 0.000 0.000 -9.999) 9.999 3.596 ( -0.000 0.000 -8.638) 8.638 3.866 ( -0.000 0.000 3.079) 3.079 3.871 ( 0.000 -0.000 1.328) 1.328 3.872 ( 0.000 0.000 -4.343) 4.343 3.910 ( 0.000 -0.000 1.949) 1.949 4.245 ( 0.000 0.000 2.621) 2.621 4.555 ( -0.000 0.000 -5.051) 5.051 4.676 ( 0.000 -0.000 0.170) 0.170 4.859 ( 0.000 -0.000 -8.371) 8.371 4.860 ( 0.000 0.000 7.535) 7.535 4.868 ( -0.000 0.000 10.645) 10.645 5.321 ( 0.000 0.000 7.017) 7.017 5.468 ( 0.000 0.000 -8.587) 8.587 5.681 ( -0.000 0.000 -10.688) 10.688 5.730 ( -0.000 0.000 -1.635) 1.635 5.835 ( -0.000 0.000 -6.071) 6.071 6.416 ( 0.000 -0.000 8.395) 8.395 6.457 ( 0.000 0.000 5.454) 5.454 6.490 ( -0.000 0.000 0.096) 0.096 6.624 ( 0.000 0.000 4.471) 4.471 7.005 ( -0.000 0.000 -7.589) 7.589 7.140 ( 0.000 -0.000 -8.710) 8.710 7.673 ( 0.000 0.000 11.168) 11.168 7.835 ( -0.000 0.000 7.469) 7.469 7.985 ( -0.000 0.000 10.869) 10.869 8.178 ( -0.000 0.000 -0.052) 0.052 8.319 ( -0.000 -0.000 -11.476) 11.476 8.700 ( 0.000 0.000 -3.617) 3.617 8.858 ( 0.000 0.000 1.067) 1.067 9.294 ( 0.000 0.000 3.034) 3.034 9.405 ( -0.000 0.000 -17.306) 17.306 9.546 ( 0.000 0.000 -18.706) 18.706 9.627 ( -0.000 0.000 1.149) 1.149 9.825 ( -0.000 0.000 14.100) 14.100 10.132 ( 0.000 0.000 -15.117) 15.117 10.961 ( 0.000 -0.000 4.019) 4.019 11.230 ( 0.000 -0.000 -28.259) 28.259 11.286 ( 0.000 -0.000 5.845) 5.845 11.529 ( -0.000 -0.000 13.788) 13.788 11.682 ( -0.000 0.000 -5.585) 5.585 11.735 ( 0.000 0.000 7.597) 7.597 11.866 ( -0.000 -0.000 4.586) 4.586 12.300 ( 0.000 0.000 -2.212) 2.212 12.370 ( 0.000 0.000 1.791) 1.791 12.547 ( 0.000 0.000 8.493) 8.493 12.639 ( -0.000 -0.000 -19.890) 19.890 13.101 ( -0.000 0.000 -4.173) 4.173 13.174 ( 0.000 -0.000 -10.501) 10.501 13.351 ( 0.000 -0.000 -7.026) 7.026 13.407 ( -0.000 0.000 -15.592) 15.592 13.862 ( 0.000 0.000 1.360) 1.360 14.016 ( -0.000 -0.000 -4.814) 4.814 14.413 ( 0.000 0.000 7.563) 7.563 14.508 ( 0.000 -0.000 7.153) 7.153 14.540 ( 0.000 0.000 -2.944) 2.944 14.566 ( 0.000 -0.000 17.502) 17.502 14.808 ( -0.000 0.000 -7.231) 7.231 14.930 ( 0.000 0.000 9.938) 9.938 15.654 ( 0.000 0.000 1.188) 1.188 15.852 ( 0.000 0.000 15.464) 15.464 15.983 ( 0.000 -0.000 -5.241) 5.241 16.450 ( 0.000 -0.000 3.008) 3.008 16.462 ( 0.000 0.000 1.093) 1.093 16.544 ( 0.000 0.000 -3.750) 3.750 16.618 ( 0.000 0.000 19.945) 19.945 16.943 ( 0.000 0.000 13.687) 13.687 17.052 ( 0.000 0.000 -3.618) 3.618 17.079 ( -0.000 -0.000 -0.089) 0.089 17.156 ( 0.000 -0.000 -0.281) 0.281 17.234 ( 0.000 0.000 -0.860) 0.860 17.477 ( 0.000 0.000 -1.518) 1.518 17.802 ( 0.000 -0.000 14.060) 14.060 18.005 ( 0.000 0.000 12.094) 12.094 18.014 ( 0.000 0.000 -10.461) 10.461 18.062 ( 0.000 0.000 5.835) 5.835 18.291 ( 0.000 0.000 -4.602) 4.602 18.511 ( 0.000 0.000 -3.895) 3.895 18.701 ( 0.000 0.000 5.417) 5.417 19.151 ( -0.000 0.000 6.577) 6.577 19.159 ( 0.000 0.000 -21.747) 21.747 19.581 ( 0.000 0.000 -5.015) 5.015 19.597 ( 0.000 0.000 -12.397) 12.397 19.678 ( 0.000 -0.000 4.962) 4.962 20.162 ( 0.000 0.000 -4.301) 4.301 20.452 ( -0.000 0.000 -15.672) 15.672 20.555 ( -0.000 -0.000 -7.877) 7.877 20.660 ( 0.000 -0.000 -0.322) 0.322 20.747 ( -0.000 0.000 -2.107) 2.107 21.767 ( -0.000 0.000 8.051) 8.051 22.261 ( 0.000 0.000 1.317) 1.317 22.295 ( 0.000 -0.000 4.401) 4.401 22.396 ( 0.000 0.000 -6.398) 6.398 23.187 ( 0.000 -0.000 18.172) 18.172 23.500 ( -0.000 0.000 5.746) 5.746 24.258 ( -0.000 -0.000 19.879) 19.879 24.286 ( 0.000 -0.000 -11.183) 11.183 24.337 ( -0.000 0.000 -7.627) 7.627 24.405 ( -0.000 0.000 19.627) 19.627 25.117 ( 0.000 0.000 -2.725) 2.725 25.358 ( 0.000 0.000 -2.372) 2.372 25.540 ( -0.000 -0.000 -0.186) 0.186 25.606 ( 0.000 -0.000 2.247) 2.247 25.613 ( -0.000 0.000 6.851) 6.851 25.647 ( -0.000 0.000 1.573) 1.573 25.672 ( -0.000 0.000 -2.673) 2.673 25.732 ( -0.000 -0.000 -0.237) 0.237 25.825 ( 0.000 0.000 -1.967) 1.967 25.830 ( 0.000 0.000 2.279) 2.279 26.018 ( 0.000 0.000 3.857) 3.857 26.026 ( -0.000 0.000 -7.923) 7.923 26.250 ( 0.000 0.000 -6.880) 6.880 26.433 ( 0.000 -0.000 -4.459) 4.459 26.689 ( 0.000 -0.000 1.733) 1.733 26.701 ( -0.000 0.000 1.910) 1.910 26.889 ( 0.000 0.000 0.795) 0.795 26.984 ( 0.000 0.000 -4.316) 4.316 27.448 ( 0.000 0.000 -3.266) 3.266 27.811 ( 0.000 0.000 -4.260) 4.260 27.853 ( 0.000 0.000 -2.486) 2.486 27.861 ( 0.000 0.000 2.670) 2.670 28.041 ( 0.000 -0.000 -0.966) 0.966 28.326 ( -0.000 0.000 -18.815) 18.815 28.370 ( -0.000 0.000 11.503) 11.503 28.432 ( 0.000 0.000 4.244) 4.244 28.677 ( 0.000 0.000 2.604) 2.604 28.731 ( 0.000 0.000 -3.397) 3.397 28.752 ( 0.000 -0.000 14.325) 14.325 29.330 ( 0.000 0.000 0.210) 0.210 29.363 ( 0.000 0.000 -3.185) 3.185 29.462 ( -0.000 -0.000 7.868) 7.868 29.820 ( -0.000 0.000 -5.545) 5.545 29.836 ( -0.000 0.000 -16.187) 16.187 29.844 ( 0.000 0.000 8.675) 8.675 30.198 ( 0.000 0.000 -8.752) 8.752 30.461 ( -0.000 0.000 -4.683) 4.683 30.716 ( 0.000 0.000 -12.340) 12.340 30.723 ( -0.000 -0.000 -4.055) 4.055 30.827 ( 0.000 -0.000 -12.562) 12.562 31.156 ( 0.000 0.000 3.193) 3.193 31.277 ( 0.000 0.000 3.275) 3.275 32.004 ( 0.000 0.000 14.351) 14.351 32.090 ( 0.000 0.000 13.286) 13.286 32.225 ( -0.000 0.000 19.669) 19.669 32.551 ( -0.000 0.000 -1.181) 1.181 32.803 ( -0.000 -0.000 -10.969) 10.969 33.072 ( 0.000 0.000 -7.205) 7.205 33.377 ( 0.000 0.000 -1.910) 1.910 33.488 ( 0.000 -0.000 -4.260) 4.260 39.701 ( 0.000 0.000 19.132) 19.132 40.585 ( 0.000 0.000 -7.064) 7.064 ======================= Grid point 87 (18/32) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 13.398 7.771 22.478) 27.297 1.740 ( 13.637 7.789 25.842) 30.240 2.141 ( 3.768 2.162 1.033) 4.465 2.193 ( 3.439 2.109 3.832) 5.564 2.480 ( 0.105 -0.024 -0.022) 0.110 2.562 ( 0.089 0.151 8.608) 8.610 2.662 ( 1.739 0.879 2.665) 3.301 2.693 ( 3.516 1.484 2.640) 4.641 2.754 ( 4.631 2.978 1.764) 5.782 2.883 ( 6.937 4.268 12.532) 14.946 2.895 ( 8.746 4.964 10.618) 14.624 2.998 ( -0.752 -0.412 -4.908) 4.983 3.164 ( 1.376 0.757 5.588) 5.804 3.302 ( -1.753 1.025 7.961) 8.216 3.382 ( 1.209 -1.810 -1.892) 2.884 3.455 ( 0.943 1.443 -4.589) 4.902 3.493 ( 4.220 1.025 1.815) 4.707 3.580 ( 3.476 3.388 -1.042) 4.964 3.689 ( 4.582 2.644 -6.197) 8.147 3.841 ( 1.521 -0.337 0.929) 1.814 3.868 ( 1.047 1.606 -1.180) 2.251 3.925 ( 0.811 0.334 -0.624) 1.076 3.958 ( 3.426 2.047 -1.278) 4.190 4.373 ( 7.326 3.883 2.831) 8.762 4.575 ( 0.129 1.889 -0.889) 2.092 4.685 ( 0.362 -0.599 6.872) 6.907 4.805 ( 5.912 2.016 1.540) 6.433 4.961 ( 6.609 4.047 6.257) 9.960 5.120 ( 12.748 7.805 -3.569) 15.368 5.272 ( -0.166 -0.026 1.645) 1.654 5.610 ( 7.389 5.142 -6.343) 11.012 5.710 ( 4.535 0.044 -6.563) 7.978 5.737 ( 0.499 1.759 -5.336) 5.641 5.974 ( 9.523 5.724 -7.447) 13.375 6.413 ( -1.664 -2.109 4.810) 5.509 6.520 ( 4.335 6.730 4.849) 9.359 6.583 ( 7.755 0.851 2.530) 8.202 6.716 ( 5.615 3.828 3.359) 7.581 7.053 ( 3.301 2.039 -3.804) 5.434 7.135 ( 3.271 1.779 0.480) 3.755 7.635 ( -3.260 -1.791 8.510) 9.287 7.712 ( -7.189 -4.099 5.057) 9.698 7.955 ( -2.660 -1.999 7.792) 8.472 8.184 ( -1.167 -0.640 1.940) 2.353 8.314 ( -0.086 0.086 -8.803) 8.804 8.734 ( 2.886 1.949 -5.815) 6.779 8.870 ( 1.070 0.646 -2.093) 2.438 9.227 ( -4.791 -5.484 -1.542) 7.444 9.355 ( -6.235 0.741 -13.607) 14.985 9.530 ( 2.247 -1.682 -16.998) 17.228 9.696 ( 1.790 2.247 5.836) 6.505 9.834 ( 3.567 1.883 11.406) 12.098 10.126 ( -1.929 -0.844 -9.425) 9.658 10.727 ( -15.587 -9.019 4.727) 18.618 11.054 ( -20.359 -10.853 -3.115) 23.281 11.209 ( -9.638 -7.469 -11.249) 16.589 11.388 ( -6.923 -2.704 7.517) 10.571 11.468 ( -7.534 -4.014 -8.839) 12.289 11.607 ( -3.317 -4.359 3.801) 6.667 11.880 ( -7.605 -2.972 3.264) 8.793 12.167 ( -8.983 -2.420 -4.197) 10.206 12.339 ( 2.274 -0.107 0.861) 2.434 12.552 ( -0.644 -2.807 -1.744) 3.366 12.741 ( -4.186 -1.655 -10.116) 11.073 12.907 ( -9.662 -4.689 -5.379) 12.012 13.087 ( -2.589 -3.406 -5.782) 7.193 13.295 ( -6.183 -2.111 -6.041) 8.898 13.414 ( 1.036 1.480 -16.979) 17.075 13.725 ( -7.174 -5.185 1.982) 9.071 13.950 ( -5.072 -2.696 -5.633) 8.045 14.243 ( -7.408 -3.251 6.490) 10.372 14.371 ( -6.925 -3.320 3.112) 8.286 14.568 ( 1.593 -2.564 9.732) 10.190 14.650 ( 5.355 4.426 9.929) 12.118 15.079 ( 16.492 9.989 -1.021) 19.309 15.139 ( 12.365 7.416 8.121) 16.548 15.587 ( -4.287 -5.150 3.381) 7.506 15.855 ( -9.726 3.772 6.323) 12.199 15.947 ( 3.090 -4.833 2.442) 6.235 16.324 ( 0.867 -1.199 7.824) 7.963 16.506 ( -3.399 1.388 9.254) 9.956 16.566 ( -0.441 -2.328 4.865) 5.411 16.662 ( 3.863 1.953 -5.064) 6.662 16.834 ( -5.544 -2.505 7.335) 9.529 16.983 ( 3.355 -13.015 1.392) 13.513 17.050 ( -8.830 12.461 2.597) 15.491 17.245 ( -1.964 0.372 -3.745) 4.244 17.321 ( 7.674 0.943 -0.297) 7.738 17.535 ( 6.023 4.028 -3.076) 7.872 17.855 ( 2.668 2.523 10.129) 10.774 17.879 ( 2.002 -4.825 0.203) 5.228 18.158 ( 12.018 8.430 5.235) 15.586 18.375 ( 5.686 12.091 1.038) 13.402 18.483 ( 14.385 -0.202 -0.100) 14.387 18.633 ( 13.436 10.015 -3.846) 17.194 18.877 ( 11.661 7.177 3.498) 14.133 19.148 ( 2.267 -1.114 -17.214) 17.398 19.276 ( 8.310 6.003 2.359) 10.519 19.535 ( -0.521 -0.031 -6.794) 6.814 19.633 ( -0.315 -0.217 -5.472) 5.486 19.721 ( 5.787 3.253 0.878) 6.697 20.207 ( 0.109 0.153 -4.460) 4.464 20.482 ( 3.862 2.305 -10.794) 11.693 20.581 ( -1.753 0.313 -2.985) 3.476 20.627 ( 2.088 -0.440 -2.140) 3.022 20.834 ( 4.960 3.106 -5.715) 8.180 21.649 ( -9.091 -5.284 8.344) 13.423 22.137 ( -8.993 -5.279 1.948) 10.608 22.181 ( -8.646 -4.992 1.840) 10.152 22.318 ( -5.568 -3.064 -7.436) 9.782 23.243 ( 1.576 0.396 14.372) 14.464 23.341 ( -10.502 -5.504 7.204) 13.874 23.981 ( -14.574 -8.687 6.342) 18.113 24.213 ( -10.925 -6.499 16.449) 20.788 24.327 ( -2.246 1.000 -1.602) 2.934 24.383 ( 0.477 -1.798 5.507) 5.813 25.093 ( -3.597 -1.797 -3.709) 5.470 25.279 ( -9.021 -5.162 -2.332) 10.652 25.395 ( -6.433 -3.947 6.049) 9.672 25.563 ( -0.195 -0.546 0.371) 0.688 25.595 ( -0.296 -0.100 0.403) 0.510 25.649 ( -1.739 0.096 -2.318) 2.900 25.677 ( 0.178 -0.511 0.057) 0.544 25.781 ( 1.841 0.667 -0.278) 1.977 25.806 ( 1.801 1.432 -0.848) 2.452 25.891 ( 4.500 2.566 1.645) 5.435 26.011 ( 0.071 0.080 3.279) 3.280 26.066 ( 1.595 0.762 -6.050) 6.303 26.191 ( -3.114 -1.726 -3.570) 5.042 26.425 ( -1.007 -0.566 -4.354) 4.505 26.646 ( -3.540 -2.119 4.860) 6.375 26.684 ( -0.645 -0.209 1.889) 2.007 26.935 ( 3.101 1.781 0.595) 3.626 27.022 ( 0.499 0.282 -3.274) 3.324 27.263 ( -9.026 -5.482 -1.615) 10.683 27.701 ( -6.568 -2.363 0.034) 6.980 27.800 ( -0.106 -1.985 1.580) 2.539 28.010 ( 4.501 1.100 -4.452) 6.425 28.051 ( 4.117 5.770 -2.748) 7.603 28.242 ( 2.145 -1.457 4.740) 5.403 28.326 ( 2.447 2.933 -10.392) 11.072 28.573 ( 1.591 0.069 6.344) 6.541 28.627 ( 1.097 2.554 2.366) 3.650 29.044 ( 16.045 5.013 4.352) 17.364 29.211 ( 21.230 15.503 1.561) 26.334 29.360 ( 1.231 0.213 -0.621) 1.395 29.407 ( 1.553 2.997 -1.606) 3.738 29.496 ( 4.300 0.874 7.938) 9.070 29.730 ( 1.246 0.556 -8.747) 8.853 30.013 ( 12.008 5.423 1.889) 13.310 30.055 ( 9.045 7.138 -8.471) 14.301 30.244 ( 2.358 1.184 -9.504) 9.864 30.438 ( 2.361 1.143 -3.298) 4.214 30.679 ( -1.811 -1.120 -6.329) 6.678 30.790 ( 2.396 1.846 -10.477) 10.905 30.907 ( 5.343 2.787 -8.255) 10.221 31.227 ( 0.673 0.249 -0.266) 0.766 31.334 ( 7.359 4.336 -5.284) 10.044 31.948 ( -4.309 -2.435 13.772) 14.634 32.037 ( -4.060 -2.347 11.545) 12.461 32.178 ( -2.245 -1.316 13.417) 13.668 32.627 ( 4.296 2.492 -4.959) 7.018 32.723 ( -6.066 -3.534 -10.933) 12.993 32.992 ( -6.074 -3.484 -7.670) 10.386 33.335 ( -2.983 -1.735 -1.657) 3.828 33.435 ( -3.903 -2.247 -3.626) 5.781 39.677 ( -1.655 -0.956 18.475) 18.573 40.294 ( -18.377 -10.610 6.354) 22.151 ======================= Grid point 88 (19/32) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 8.829 5.018 13.694) 17.049 2.039 ( 9.152 5.272 12.082) 16.047 2.236 ( 2.806 1.536 2.692) 4.181 2.274 ( 3.339 2.080 3.668) 5.378 2.476 ( 0.291 -0.103 6.738) 6.745 2.610 ( 3.075 2.692 0.701) 4.147 2.687 ( -0.925 1.895 0.775) 2.247 2.738 ( 2.262 -3.406 1.734) 4.441 2.805 ( -0.220 -0.078 2.705) 2.715 2.919 ( -1.776 -2.055 -1.591) 3.147 3.026 ( 1.844 0.715 4.692) 5.091 3.091 ( 2.601 4.439 1.304) 5.308 3.195 ( 0.331 -0.134 3.465) 3.483 3.311 ( -2.347 4.756 3.746) 6.493 3.393 ( 3.879 -2.076 0.895) 4.489 3.481 ( 0.428 -2.102 -2.433) 3.243 3.591 ( 3.975 1.901 1.978) 4.830 3.709 ( 3.846 3.191 2.526) 5.599 3.793 ( -0.569 1.768 -0.768) 2.010 3.888 ( 6.342 0.866 -3.035) 7.083 3.958 ( 3.918 4.761 -1.873) 6.444 4.008 ( 4.153 2.228 -2.005) 5.122 4.048 ( 5.122 1.720 3.227) 6.294 4.422 ( -1.130 -2.618 0.160) 2.856 4.578 ( 0.299 4.094 3.571) 5.441 4.834 ( 4.563 -4.509 -2.315) 6.820 4.971 ( 7.318 13.086 7.168) 16.619 5.221 ( 15.127 3.519 2.836) 15.788 5.334 ( 4.209 4.833 4.437) 7.795 5.414 ( 8.787 1.582 2.540) 9.282 5.719 ( 2.590 1.745 -2.904) 4.265 5.785 ( -0.123 6.188 -5.877) 8.535 5.958 ( 14.689 1.815 -3.796) 15.279 6.264 ( 9.521 8.612 -4.200) 13.508 6.402 ( 3.761 2.709 1.883) 5.003 6.619 ( 2.684 -0.502 3.113) 4.141 6.743 ( 1.059 1.127 4.935) 5.172 6.839 ( 5.092 2.834 -0.228) 5.832 7.171 ( 6.189 8.027 2.889) 10.540 7.333 ( 7.392 1.789 10.459) 12.932 7.504 ( -0.595 2.767 -0.781) 2.936 7.636 ( -2.995 -3.167 0.983) 4.468 7.856 ( 0.219 -5.334 -1.560) 5.561 8.145 ( -2.906 0.068 5.617) 6.324 8.348 ( 4.445 1.489 -7.325) 8.697 8.695 ( -10.759 -4.412 -7.988) 14.108 8.940 ( 3.859 4.159 -3.210) 6.518 9.064 ( -1.765 -4.125 -7.105) 8.403 9.292 ( 0.486 -0.501 -1.351) 1.520 9.535 ( -1.021 -0.933 -2.097) 2.512 9.740 ( 1.481 0.399 -2.730) 3.131 9.941 ( -14.016 -0.742 10.687) 17.641 9.994 ( 1.219 1.120 -1.553) 2.270 10.261 ( -14.905 -10.893 0.093) 18.462 10.487 ( -15.835 -11.728 1.667) 19.776 10.881 ( -19.400 -7.357 -4.308) 21.191 11.125 ( -1.107 -9.496 -5.573) 11.066 11.420 ( -7.299 2.582 -1.968) 7.988 11.506 ( -1.909 -5.991 -4.732) 7.869 11.656 ( -9.390 -3.537 -5.160) 11.283 11.934 ( -9.895 -2.915 -4.359) 11.198 12.331 ( -3.700 4.192 -2.219) 6.016 12.442 ( -0.232 -9.226 -2.440) 9.546 12.606 ( -5.918 -2.496 -11.110) 12.833 12.730 ( -3.240 -4.968 -5.000) 7.757 12.948 ( -6.508 -6.759 -9.525) 13.370 13.147 ( -5.457 2.306 0.260) 5.930 13.488 ( -1.083 6.238 -12.713) 14.202 13.595 ( -0.456 -4.523 2.934) 5.411 13.876 ( 0.157 -0.017 -4.520) 4.523 14.122 ( -2.527 -1.698 6.130) 6.845 14.242 ( -4.203 -2.201 3.078) 5.655 14.557 ( 0.248 -2.341 10.915) 11.166 14.826 ( 7.274 2.843 4.344) 8.937 15.352 ( 1.799 2.407 15.336) 15.628 15.429 ( 3.446 2.438 2.465) 4.888 15.555 ( 11.224 0.944 1.992) 11.439 15.669 ( -6.597 7.095 6.783) 11.827 15.992 ( 0.939 -3.231 9.311) 9.901 16.253 ( -2.411 -4.725 8.741) 10.225 16.381 ( -8.558 -6.082 0.375) 10.506 16.549 ( -1.451 1.884 8.448) 8.776 16.708 ( 3.811 1.078 -1.173) 4.131 16.853 ( 4.553 -0.276 -2.655) 5.278 16.952 ( 2.659 -3.303 -2.549) 4.947 17.038 ( -4.479 7.071 0.709) 8.400 17.187 ( -5.362 2.408 -4.035) 7.129 17.345 ( -1.697 -2.297 -0.568) 2.912 17.669 ( 4.824 3.782 -2.224) 6.521 17.914 ( 4.620 -5.260 5.883) 9.144 18.046 ( 10.437 2.885 4.030) 11.554 18.446 ( 2.266 1.970 -5.627) 6.378 18.513 ( 10.897 6.231 1.105) 12.601 18.822 ( -1.313 12.247 -3.973) 12.942 18.906 ( 13.929 6.785 -4.232) 16.061 19.163 ( 9.524 5.308 4.748) 11.893 19.339 ( 11.602 -1.254 -1.206) 11.731 19.463 ( 2.667 -2.739 -2.718) 4.691 19.635 ( 5.629 3.359 -8.434) 10.682 19.718 ( 13.941 13.844 -2.598) 19.819 19.966 ( 13.450 6.676 -2.566) 15.233 20.124 ( -4.978 -2.012 -2.723) 6.021 20.465 ( -6.989 -0.817 0.945) 7.100 20.643 ( 2.892 -2.869 0.673) 4.129 20.708 ( 6.226 4.386 -4.572) 8.882 20.946 ( 2.572 2.528 -9.685) 10.334 21.391 ( -7.633 -5.860 10.454) 14.209 21.811 ( -17.046 -9.009 0.390) 19.284 21.971 ( -6.288 -3.389 -0.445) 7.157 22.142 ( -7.578 -4.128 -10.639) 13.698 22.942 ( -14.957 -9.371 9.796) 20.186 23.290 ( -3.578 -0.948 5.997) 7.048 23.658 ( -6.759 -6.118 11.974) 15.050 23.903 ( -12.286 -5.460 18.787) 23.102 24.239 ( -5.105 -0.794 2.419) 5.705 24.405 ( 4.150 -2.059 6.490) 7.974 24.911 ( -15.278 2.091 -2.073) 15.559 24.980 ( -4.983 -11.901 0.903) 12.933 25.331 ( -1.552 -0.919 -3.371) 3.823 25.554 ( 0.204 0.249 -1.269) 1.310 25.623 ( 0.384 1.484 0.086) 1.535 25.654 ( 3.459 0.380 0.477) 3.512 25.694 ( 1.447 1.374 -0.408) 2.037 25.832 ( 0.177 1.294 -0.637) 1.453 25.881 ( 4.612 0.921 0.228) 4.709 25.972 ( 0.677 1.190 1.042) 1.720 26.044 ( 1.769 0.414 -0.038) 1.818 26.074 ( 0.260 0.212 -0.724) 0.797 26.174 ( 1.773 1.085 -4.537) 4.991 26.381 ( -2.660 -1.114 -3.566) 4.587 26.560 ( -2.275 -1.882 5.433) 6.184 26.661 ( -1.659 -0.154 1.632) 2.332 26.943 ( -4.447 -3.015 3.323) 6.317 27.013 ( 1.586 1.148 -0.589) 2.044 27.109 ( -2.776 -2.459 -2.860) 4.683 27.606 ( -3.361 0.428 -3.712) 5.026 27.835 ( 5.087 -2.012 4.367) 7.000 28.015 ( -1.430 3.170 -6.616) 7.474 28.244 ( 6.331 2.901 -0.898) 7.022 28.358 ( 5.967 3.490 -1.456) 7.064 28.428 ( 4.332 0.718 -1.551) 4.657 28.618 ( 1.232 0.788 0.884) 1.709 28.685 ( 0.912 5.639 0.683) 5.753 29.202 ( 3.120 -10.010 -0.728) 10.511 29.296 ( -2.770 1.778 -2.684) 4.247 29.444 ( -1.332 2.644 2.763) 4.049 29.678 ( 11.411 6.706 0.488) 13.245 29.734 ( 10.994 10.650 10.367) 18.487 29.884 ( 10.726 3.116 -2.793) 11.513 30.164 ( 0.546 0.204 -7.431) 7.453 30.270 ( 0.667 1.083 -4.898) 5.060 30.385 ( 13.753 9.177 -1.228) 16.579 30.597 ( 7.750 1.210 -5.515) 9.589 30.683 ( 2.891 1.136 -4.608) 5.557 30.829 ( -0.204 3.043 -4.588) 5.509 31.035 ( 2.515 1.987 -4.895) 5.851 31.244 ( 3.440 -0.184 1.324) 3.691 31.467 ( 2.043 1.075 -1.900) 2.989 31.817 ( -5.403 -2.468 12.005) 13.394 31.928 ( -3.141 -1.512 10.068) 10.654 32.182 ( 2.837 1.680 -5.531) 6.439 32.455 ( -12.442 -7.860 -9.411) 17.468 32.710 ( -3.222 -1.460 -12.175) 12.678 32.830 ( -3.348 -1.930 -13.319) 13.868 33.261 ( -2.082 -1.354 -1.077) 2.707 33.325 ( -4.172 -2.296 -2.262) 5.272 39.638 ( -0.968 -0.563 17.416) 17.452 39.883 ( -12.418 -7.165 16.723) 22.027 ======================= Grid point 89 (20/32) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.000 0.000 9.232) 9.232 2.153 ( 0.000 0.000 4.777) 4.777 2.275 ( 0.000 0.000 3.587) 3.587 2.320 ( 0.000 0.000 2.298) 2.298 2.517 ( 0.000 0.000 6.778) 6.778 2.660 ( 0.000 0.000 0.284) 0.284 2.699 ( 0.000 0.000 0.734) 0.734 2.708 ( 0.000 0.000 1.521) 1.521 2.791 ( 0.000 0.000 5.604) 5.604 2.878 ( 0.000 0.000 2.948) 2.948 3.020 ( 0.000 0.000 2.139) 2.139 3.152 ( 0.000 0.000 -1.805) 1.805 3.188 ( 0.000 0.000 5.118) 5.118 3.319 ( 0.000 0.000 1.537) 1.537 3.436 ( 0.000 0.000 -2.876) 2.876 3.449 ( 0.000 -0.000 0.019) 0.019 3.651 ( 0.000 0.000 4.066) 4.066 3.739 ( 0.000 0.000 -0.626) 0.626 3.805 ( 0.000 0.000 1.430) 1.430 3.969 ( 0.000 0.000 -8.440) 8.440 4.030 ( 0.000 -0.000 -1.952) 1.952 4.036 ( 0.000 0.000 3.898) 3.898 4.158 ( 0.000 0.000 2.803) 2.803 4.381 ( 0.000 0.000 -0.353) 0.353 4.631 ( 0.000 0.000 -1.062) 1.062 4.795 ( 0.000 -0.000 -2.603) 2.603 5.250 ( -0.000 -0.000 3.533) 3.533 5.266 ( 0.000 0.000 5.561) 5.561 5.432 ( -0.000 0.000 9.748) 9.748 5.573 ( 0.000 -0.000 0.707) 0.707 5.769 ( 0.000 -0.000 -0.721) 0.721 5.797 ( -0.000 0.000 -7.265) 7.265 6.204 ( -0.000 -0.000 3.380) 3.380 6.278 ( 0.000 0.000 4.512) 4.512 6.521 ( 0.000 0.000 -0.295) 0.295 6.636 ( 0.000 0.000 9.576) 9.576 6.754 ( 0.000 0.000 -0.803) 0.803 6.899 ( -0.000 0.000 -0.504) 0.504 7.374 ( -0.000 0.000 -1.541) 1.541 7.382 ( 0.000 -0.000 1.525) 1.525 7.580 ( 0.000 -0.000 -1.971) 1.971 7.599 ( -0.000 0.000 -1.643) 1.643 7.862 ( 0.000 -0.000 -1.796) 1.796 8.029 ( 0.000 0.000 6.459) 6.459 8.373 ( 0.000 0.000 -4.952) 4.952 8.597 ( 0.000 0.000 -7.353) 7.353 9.039 ( -0.000 0.000 0.797) 0.797 9.056 ( 0.000 -0.000 -4.854) 4.854 9.316 ( 0.000 0.000 8.376) 8.376 9.362 ( 0.000 0.000 -0.206) 0.206 9.725 ( 0.105 -1.136 -5.320) 5.441 9.725 ( -0.105 1.136 6.548) 6.647 10.018 ( 0.000 -0.000 -6.248) 6.248 10.118 ( 0.000 0.000 -2.522) 2.522 10.369 ( 0.000 0.000 2.220) 2.220 10.536 ( 0.000 0.000 -0.655) 0.655 11.082 ( 0.000 0.000 -0.745) 0.745 11.329 ( 0.000 0.000 -2.792) 2.792 11.432 ( 0.000 -0.000 -4.895) 4.895 11.519 ( 0.000 0.000 -13.551) 13.551 11.852 ( 0.000 0.000 -2.542) 2.542 12.307 ( 0.000 0.000 -3.838) 3.838 12.412 ( 0.000 0.000 -5.163) 5.163 12.555 ( 0.000 0.000 -7.395) 7.395 12.600 ( 0.000 -0.000 -8.450) 8.450 12.864 ( 0.000 0.000 -12.471) 12.471 13.114 ( 0.000 0.000 5.623) 5.623 13.501 ( 0.000 0.000 -10.839) 10.839 13.580 ( 0.000 0.000 3.756) 3.756 13.883 ( 0.000 0.000 -2.723) 2.723 14.140 ( 0.000 0.000 -0.123) 0.123 14.145 ( -0.000 -0.000 6.527) 6.527 14.542 ( 0.000 0.000 11.127) 11.127 14.923 ( 0.000 0.000 -1.800) 1.800 15.363 ( 0.000 -0.000 15.440) 15.440 15.399 ( -0.000 0.000 12.308) 12.308 15.689 ( 0.000 0.000 1.708) 1.708 15.796 ( 0.000 0.000 11.046) 11.046 15.937 ( 0.000 0.000 12.534) 12.534 16.133 ( 0.000 0.000 -0.280) 0.280 16.295 ( 0.000 0.000 -2.268) 2.268 16.525 ( 0.000 0.000 12.530) 12.530 16.825 ( 0.000 -0.000 -1.920) 1.920 16.842 ( -0.000 0.000 -4.110) 4.110 16.958 ( 0.000 0.000 -2.554) 2.554 17.060 ( 0.000 0.000 -8.097) 8.097 17.128 ( 0.000 0.000 1.494) 1.494 17.301 ( 0.000 0.000 -0.055) 0.055 17.773 ( 0.000 0.000 -7.204) 7.204 17.902 ( 0.000 0.000 8.911) 8.911 18.169 ( 0.000 0.000 4.278) 4.278 18.508 ( 0.000 0.000 -2.472) 2.472 18.711 ( -0.000 -0.000 -9.235) 9.235 18.723 ( 0.000 0.000 -0.089) 0.089 19.231 ( -0.000 0.000 -1.410) 1.410 19.265 ( 0.000 0.000 -4.153) 4.153 19.421 ( 0.000 0.000 -4.489) 4.489 19.442 ( 0.000 -0.000 4.219) 4.219 19.701 ( 0.000 0.000 -4.382) 4.382 19.959 ( 0.000 0.000 -3.196) 3.196 20.204 ( 0.000 0.000 -0.090) 0.090 20.230 ( 0.000 -0.000 0.659) 0.659 20.337 ( 0.000 -0.000 1.984) 1.984 20.522 ( -0.000 -0.000 -0.661) 0.661 20.862 ( 0.000 0.000 -6.339) 6.339 20.956 ( 0.000 0.000 -5.967) 5.967 21.321 ( 0.000 0.000 9.468) 9.468 21.506 ( 0.000 0.000 -1.492) 1.492 21.892 ( 0.000 0.000 -1.002) 1.002 22.036 ( 0.000 0.000 -10.836) 10.836 22.707 ( 0.000 -0.000 11.908) 11.908 23.209 ( 0.000 0.000 2.642) 2.642 23.599 ( 0.000 0.000 9.898) 9.898 23.730 ( 0.000 0.000 22.651) 22.651 24.186 ( 0.000 0.000 3.426) 3.426 24.451 ( 0.000 0.000 8.926) 8.926 24.736 ( -0.000 0.000 -0.014) 0.014 24.873 ( 0.000 0.000 -1.479) 1.479 25.308 ( 0.000 0.000 -5.570) 5.570 25.561 ( 0.000 0.000 -2.367) 2.367 25.622 ( 0.000 0.000 0.388) 0.388 25.701 ( 0.000 0.000 -0.068) 0.068 25.764 ( 0.000 0.000 -0.588) 0.588 25.807 ( 0.000 0.000 2.462) 2.462 25.958 ( 0.000 0.000 -1.535) 1.535 25.977 ( 0.000 0.000 -3.499) 3.499 26.047 ( 0.000 0.000 1.434) 1.434 26.079 ( 0.000 0.000 1.059) 1.059 26.226 ( 0.000 0.000 -2.696) 2.696 26.325 ( 0.000 0.000 -3.853) 3.853 26.538 ( 0.000 0.000 3.858) 3.858 26.633 ( 0.000 0.000 1.913) 1.913 26.879 ( 0.000 0.000 6.141) 6.141 26.998 ( 0.000 0.000 -3.028) 3.028 27.103 ( 0.000 0.000 -0.513) 0.513 27.574 ( 0.000 0.000 -5.794) 5.794 27.882 ( 0.000 0.000 7.363) 7.363 28.019 ( 0.000 0.000 -7.288) 7.288 28.367 ( -0.000 0.000 -0.739) 0.739 28.397 ( 0.000 0.000 -2.899) 2.899 28.481 ( 0.000 -0.000 -0.790) 0.790 28.632 ( 0.000 0.000 0.933) 0.933 28.740 ( 0.000 0.000 0.334) 0.334 29.142 ( 0.000 0.000 -9.486) 9.486 29.294 ( 0.000 0.000 2.082) 2.082 29.433 ( 0.000 -0.000 1.582) 1.582 29.800 ( 0.000 0.000 2.112) 2.112 29.936 ( 0.000 0.000 8.447) 8.447 30.069 ( 0.000 0.000 0.572) 0.572 30.118 ( 0.000 0.000 -7.656) 7.656 30.278 ( 0.000 0.000 -3.595) 3.595 30.633 ( -0.000 -0.000 -9.504) 9.504 30.665 ( 0.000 0.000 1.543) 1.543 30.741 ( 0.000 0.000 -6.422) 6.422 30.858 ( 0.000 0.000 3.069) 3.069 30.989 ( 0.000 0.000 1.750) 1.750 31.319 ( 0.000 0.000 0.332) 0.332 31.489 ( 0.000 0.000 3.015) 3.015 31.745 ( 0.000 0.000 10.533) 10.533 31.948 ( 0.000 0.000 7.216) 7.216 32.158 ( 0.000 0.000 -7.987) 7.987 32.300 ( 0.000 -0.000 -12.097) 12.097 32.588 ( 0.000 0.000 -13.393) 13.393 32.818 ( 0.000 0.000 -19.388) 19.388 33.245 ( -0.000 -0.000 -1.009) 1.009 33.260 ( 0.000 0.000 -1.750) 1.750 39.640 ( 0.000 0.000 16.992) 16.992 39.711 ( -0.000 -0.000 18.124) 18.124 ======================= Grid point 94 (21/32) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 7.832 13.734 14.635) 21.544 1.962 ( 5.918 10.293 16.437) 20.277 2.215 ( 2.238 4.189 2.571) 5.401 2.252 ( 1.941 2.749 3.398) 4.782 2.477 ( -0.450 -0.306 5.271) 5.299 2.588 ( 2.033 2.152 2.143) 3.654 2.684 ( 0.820 0.028 1.720) 1.906 2.765 ( -1.378 4.260 2.806) 5.284 2.800 ( 1.868 1.646 1.156) 2.745 2.942 ( -1.082 0.796 -4.790) 4.975 3.017 ( 2.053 4.931 2.057) 5.724 3.061 ( 6.264 3.470 8.086) 10.802 3.178 ( -0.983 -0.235 3.795) 3.927 3.249 ( 1.013 -3.422 4.728) 5.924 3.427 ( 1.058 0.618 0.577) 1.354 3.469 ( -1.613 5.144 1.007) 5.485 3.606 ( 2.895 5.526 -1.210) 6.354 3.701 ( 5.098 6.363 2.315) 8.475 3.760 ( 3.945 2.224 -0.899) 4.617 3.854 ( -1.929 2.870 -2.366) 4.190 3.916 ( 3.452 2.907 -1.825) 4.868 3.970 ( 2.448 5.211 -0.540) 5.783 4.037 ( 2.615 4.589 0.646) 5.321 4.419 ( -1.952 0.003 0.251) 1.968 4.584 ( 3.404 -3.502 3.277) 5.881 4.735 ( 1.293 10.411 4.609) 11.459 4.968 ( 8.188 6.853 4.384) 11.542 5.121 ( -0.042 9.231 1.103) 9.297 5.271 ( 6.068 5.848 2.883) 8.907 5.397 ( 4.765 11.742 1.861) 12.808 5.693 ( 4.626 3.136 -2.258) 6.027 5.781 ( 5.907 5.909 -8.259) 11.748 5.929 ( 1.732 15.571 -4.951) 16.431 6.125 ( 8.047 7.593 -6.513) 12.838 6.482 ( 2.153 1.477 4.973) 5.617 6.515 ( 0.301 3.024 0.811) 3.146 6.726 ( 3.332 6.165 0.929) 7.069 6.813 ( 2.609 4.919 3.202) 6.423 7.037 ( 0.337 -2.795 5.283) 5.987 7.327 ( 6.401 12.350 7.965) 16.029 7.538 ( -1.366 -6.998 0.514) 7.149 7.640 ( -1.018 0.551 2.679) 2.919 7.873 ( -6.904 -5.031 0.487) 8.557 8.137 ( -0.134 -2.192 3.173) 3.859 8.346 ( 1.970 3.476 -4.725) 6.188 8.735 ( -2.085 -5.225 -8.723) 10.380 8.923 ( 2.930 2.966 -3.797) 5.639 9.150 ( -8.263 -0.614 -5.755) 10.088 9.216 ( 2.612 -6.360 -4.834) 8.405 9.593 ( -1.762 1.884 -11.523) 11.808 9.689 ( 1.050 -1.698 6.262) 6.573 9.928 ( 2.758 3.479 11.845) 12.649 10.055 ( -0.325 -5.771 -4.716) 7.460 10.363 ( -12.727 -21.602 1.349) 25.108 10.691 ( -13.541 -17.971 1.996) 22.590 10.938 ( -5.362 -15.735 -3.009) 16.893 11.193 ( -9.661 -7.402 -9.030) 15.155 11.470 ( -0.568 1.078 -3.237) 3.459 11.596 ( -0.269 2.559 -0.994) 2.758 11.667 ( -3.853 -14.638 -1.023) 15.171 12.046 ( -1.334 -11.232 -9.432) 14.728 12.238 ( -4.978 -9.336 -0.446) 10.590 12.467 ( -8.083 -2.171 -1.588) 8.518 12.661 ( -4.756 -7.198 -11.577) 14.438 12.728 ( -2.207 -4.724 -2.485) 5.776 13.038 ( -6.469 -5.070 -2.867) 8.704 13.240 ( 2.378 -3.655 -4.446) 6.228 13.324 ( -2.020 -10.232 -14.396) 17.777 13.671 ( -0.544 2.054 -0.782) 2.264 13.868 ( -0.309 -0.845 -2.704) 2.850 14.167 ( -2.772 -3.751 4.147) 6.242 14.281 ( -0.511 -5.513 3.712) 6.666 14.493 ( -2.631 1.822 12.389) 12.795 14.847 ( 3.408 9.149 3.653) 10.424 15.282 ( 2.722 -4.912 9.518) 11.051 15.397 ( 5.940 16.539 9.178) 19.826 15.464 ( -1.326 3.847 1.546) 4.353 15.726 ( 3.414 -9.708 2.927) 10.700 16.032 ( -1.343 4.308 7.708) 8.932 16.234 ( -4.337 -2.644 10.550) 11.709 16.478 ( -5.835 -4.536 2.300) 7.740 16.567 ( 2.362 -3.192 9.058) 9.890 16.689 ( 2.496 -1.787 -3.542) 4.687 16.779 ( -4.705 3.966 2.046) 6.485 16.890 ( 1.669 4.077 1.285) 4.589 17.148 ( 3.433 -2.873 -3.973) 5.986 17.197 ( 3.222 -4.357 -6.078) 8.143 17.382 ( -0.624 1.969 0.937) 2.269 17.651 ( 5.421 5.455 -0.786) 7.730 17.912 ( -1.683 11.656 3.399) 12.258 18.094 ( -8.022 15.417 2.032) 17.497 18.204 ( 14.682 -0.298 2.881) 14.965 18.482 ( 4.123 3.494 1.544) 5.620 18.705 ( 7.451 6.078 -5.273) 10.966 18.934 ( 10.220 8.723 -4.765) 14.256 19.103 ( 6.573 11.293 3.950) 13.651 19.248 ( -0.978 18.517 -3.180) 18.814 19.415 ( 1.992 2.256 -3.832) 4.872 19.581 ( 4.496 2.995 -3.654) 6.522 19.670 ( 5.983 9.036 -6.603) 12.690 19.885 ( 6.625 12.432 -1.107) 14.130 20.181 ( -1.180 -3.408 -4.892) 6.078 20.493 ( 0.341 -4.596 2.095) 5.063 20.623 ( -0.483 5.463 -4.511) 7.101 20.659 ( 2.134 3.811 -2.169) 4.877 20.923 ( 2.806 3.436 -9.336) 10.337 21.449 ( -6.896 -10.725 10.656) 16.617 21.946 ( -6.868 -12.544 1.341) 14.364 22.021 ( -4.407 -7.501 -0.845) 8.741 22.166 ( -5.775 -10.741 -9.669) 15.563 23.081 ( -8.677 -13.183 7.992) 17.691 23.278 ( 0.274 -1.869 9.139) 9.332 23.727 ( -8.048 -11.354 8.503) 16.309 24.019 ( -5.461 -11.124 19.632) 23.216 24.243 ( -1.315 -7.920 6.342) 10.231 24.357 ( -3.878 1.224 2.669) 4.864 24.921 ( -6.000 -15.242 0.719) 16.396 25.158 ( -4.542 -4.699 -7.865) 10.225 25.304 ( -1.177 -2.029 2.693) 3.571 25.537 ( -0.467 -1.219 -1.608) 2.071 25.604 ( 0.885 1.738 1.208) 2.294 25.639 ( 0.017 -0.420 -0.434) 0.604 25.699 ( 1.290 1.724 -0.268) 2.170 25.806 ( 0.947 1.131 -1.337) 1.991 25.867 ( 1.185 4.024 0.783) 4.267 25.974 ( 2.516 2.864 0.160) 3.816 26.018 ( 0.843 1.462 3.316) 3.721 26.078 ( -0.493 0.562 -4.083) 4.150 26.159 ( 0.113 -0.401 -3.187) 3.214 26.396 ( -0.982 -2.111 -3.773) 4.433 26.581 ( -2.111 -3.016 5.448) 6.575 26.667 ( -0.430 -1.843 1.368) 2.335 26.964 ( -2.192 -3.651 1.337) 4.463 27.001 ( 1.011 1.875 0.565) 2.204 27.150 ( -3.104 -3.895 -3.258) 5.952 27.639 ( 1.764 -2.098 -2.058) 3.428 27.810 ( -3.400 2.749 1.043) 4.495 28.040 ( 4.160 -0.500 -5.133) 6.626 28.166 ( 2.719 5.297 -2.568) 6.484 28.273 ( 1.281 6.406 1.172) 6.638 28.437 ( 3.519 6.484 -2.720) 7.863 28.632 ( 1.486 3.220 1.063) 3.702 28.681 ( 5.924 2.009 2.497) 6.735 29.182 ( -8.952 1.084 0.567) 9.035 29.298 ( -2.140 -1.372 2.293) 3.424 29.450 ( 11.982 3.335 1.092) 12.485 29.544 ( 2.350 5.594 5.619) 8.269 29.644 ( 6.115 11.241 0.546) 12.809 29.853 ( 6.494 13.384 -3.564) 15.297 30.192 ( 4.800 10.198 0.553) 11.284 30.219 ( 3.588 5.148 -8.663) 10.697 30.352 ( 7.065 7.558 -8.843) 13.610 30.540 ( 2.045 8.860 -2.651) 9.472 30.670 ( 0.530 1.666 -5.060) 5.353 30.825 ( 2.823 0.658 -6.697) 7.298 31.020 ( 3.655 6.561 -5.576) 9.354 31.224 ( -0.701 1.094 0.778) 1.514 31.436 ( 1.325 2.329 -4.590) 5.315 31.852 ( -2.885 -5.884 12.300) 13.937 31.941 ( -3.272 -5.870 10.997) 12.887 32.170 ( 0.808 1.560 -0.221) 1.771 32.537 ( -6.884 -11.350 -9.810) 16.506 32.719 ( 1.595 2.516 -12.575) 12.923 32.856 ( -4.742 -8.403 -9.773) 13.734 33.277 ( -1.738 -2.834 -1.088) 3.498 33.354 ( -2.587 -4.601 -2.607) 5.887 39.645 ( -0.925 -1.599 17.640) 17.737 39.975 ( -8.728 -15.122 15.273) 23.197 ======================= Grid point 95 (22/32) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.108 6.251 6.832) 9.261 2.143 ( 3.577 4.430 6.551) 8.680 2.283 ( 0.735 1.528 3.783) 4.146 2.312 ( 1.329 1.754 1.069) 2.446 2.492 ( 2.166 1.460 7.670) 8.103 2.637 ( 0.782 -0.658 2.815) 2.994 2.682 ( -0.178 -0.494 0.977) 1.109 2.753 ( -1.635 0.033 1.838) 2.461 2.864 ( -0.828 5.788 1.138) 5.956 2.905 ( -2.234 2.126 0.948) 3.226 3.030 ( -0.188 -0.954 3.531) 3.662 3.146 ( 0.995 -1.707 1.408) 2.426 3.191 ( -0.152 2.424 5.082) 5.633 3.275 ( 2.106 -3.056 -0.360) 3.729 3.427 ( -0.278 3.340 -1.588) 3.709 3.500 ( -0.092 1.657 1.923) 2.540 3.676 ( -0.940 4.197 -1.526) 4.564 3.777 ( 0.966 -0.345 1.744) 2.023 3.803 ( -0.865 3.357 -0.694) 3.535 3.950 ( 3.500 0.733 0.151) 3.579 4.023 ( 2.209 4.493 -2.473) 5.584 4.079 ( -0.352 3.702 -1.288) 3.935 4.119 ( 3.549 3.520 3.218) 5.945 4.373 ( -0.563 -1.322 -0.617) 1.564 4.605 ( 1.365 -1.982 -0.342) 2.431 4.826 ( -0.156 3.818 -0.979) 3.945 5.221 ( 1.020 1.357 8.267) 8.439 5.290 ( 7.850 7.836 3.998) 11.790 5.325 ( 5.592 1.943 1.136) 6.028 5.553 ( 1.391 3.852 3.576) 5.437 5.819 ( -1.198 9.300 -4.170) 10.263 6.000 ( -2.039 10.543 2.279) 10.978 6.099 ( 7.766 10.991 -2.631) 13.712 6.344 ( -3.869 -2.738 2.960) 5.588 6.461 ( 6.014 -3.867 2.060) 7.441 6.564 ( 2.246 0.190 1.985) 3.004 6.807 ( -3.427 5.816 4.431) 8.075 6.901 ( 5.077 3.193 -3.247) 6.820 7.110 ( 10.879 -11.119 5.130) 16.380 7.438 ( 2.140 -2.320 -3.050) 4.389 7.526 ( -4.728 4.109 -7.116) 9.480 7.643 ( 0.752 -7.283 -2.200) 7.645 7.766 ( 5.513 9.560 6.457) 12.786 8.113 ( -4.366 -2.572 6.771) 8.457 8.374 ( -1.938 -2.694 -5.312) 6.264 8.623 ( -0.502 1.548 -1.981) 2.564 8.956 ( 3.298 -3.709 -2.549) 5.580 9.110 ( -2.362 5.444 -5.775) 8.281 9.221 ( 1.463 -0.750 0.559) 1.737 9.460 ( -6.865 -9.069 1.560) 11.481 9.643 ( 0.562 -10.423 6.356) 12.221 9.897 ( -6.709 -3.816 -0.515) 7.735 9.972 ( -3.264 -1.861 -1.170) 3.935 10.140 ( 3.279 8.006 -6.641) 10.906 10.409 ( -2.778 0.188 5.284) 5.973 10.624 ( -12.273 -11.413 -2.601) 16.960 11.032 ( -0.440 0.776 -5.612) 5.682 11.409 ( -5.491 -0.713 -1.263) 5.679 11.519 ( -0.972 -3.652 -12.376) 12.940 11.623 ( -4.239 9.341 -2.425) 10.540 11.829 ( -6.355 -8.650 -5.390) 12.011 12.155 ( 7.531 -9.524 -3.079) 12.526 12.290 ( -0.655 -10.753 -7.785) 13.291 12.525 ( -2.913 -3.303 -6.284) 7.674 12.660 ( -0.671 -3.944 -7.722) 8.696 12.866 ( -4.142 0.991 -1.916) 4.670 13.155 ( -4.116 -5.258 -5.452) 8.620 13.265 ( 7.173 -13.459 -4.921) 16.025 13.697 ( -2.512 6.102 -1.587) 6.787 13.940 ( 1.520 5.686 -2.508) 6.398 14.092 ( 0.347 -1.756 3.086) 3.567 14.192 ( -3.678 -2.887 2.680) 5.389 14.544 ( 2.121 3.804 12.695) 13.421 14.924 ( -0.978 3.671 -1.066) 3.946 15.145 ( 2.819 -13.137 10.765) 17.217 15.490 ( -1.229 -5.825 13.530) 14.782 15.687 ( 5.175 8.674 2.800) 10.481 15.803 ( 4.180 9.605 12.031) 15.952 15.982 ( -3.484 -0.378 10.310) 10.889 16.157 ( -2.078 -2.285 0.370) 3.110 16.318 ( -5.176 0.642 2.738) 5.890 16.549 ( -1.299 -1.028 12.046) 12.159 16.749 ( 1.006 -2.688 0.306) 2.886 16.780 ( 5.766 -1.131 -4.457) 7.375 16.975 ( 0.762 4.171 -2.771) 5.065 17.106 ( -3.298 -0.095 -7.420) 8.121 17.213 ( -0.909 -0.224 -6.078) 6.149 17.377 ( -1.307 0.403 1.237) 1.844 17.764 ( -3.829 8.737 -1.893) 9.726 17.990 ( 0.858 8.816 5.604) 10.481 18.197 ( 2.758 8.449 1.130) 8.959 18.427 ( 7.829 0.918 -7.528) 10.900 18.572 ( 1.609 -2.873 4.307) 5.422 18.822 ( 1.068 -1.622 -3.988) 4.436 19.076 ( 6.919 -4.168 -0.345) 8.085 19.272 ( -0.881 5.721 -4.157) 7.127 19.407 ( 1.116 -2.995 -4.853) 5.811 19.484 ( 7.187 4.401 -3.911) 9.291 19.666 ( -1.038 12.477 1.280) 12.585 20.051 ( 3.508 6.485 1.469) 7.518 20.107 ( 5.827 3.999 -3.310) 7.804 20.191 ( 6.917 10.670 -1.247) 12.777 20.451 ( -8.073 -1.433 1.261) 8.295 20.530 ( 2.134 -2.478 1.628) 3.653 20.830 ( 3.878 3.039 -6.461) 8.125 20.940 ( -1.087 -1.983 -9.804) 10.062 21.269 ( -2.097 -3.947 12.089) 12.889 21.664 ( -10.731 -4.264 1.064) 11.596 21.879 ( -1.716 -7.148 -5.820) 9.376 21.974 ( -0.760 -6.530 -5.754) 8.737 22.832 ( -8.353 0.554 6.206) 10.420 23.189 ( -1.590 -7.553 0.857) 7.766 23.551 ( -1.032 -3.213 15.768) 16.125 23.814 ( -6.526 -3.010 18.964) 20.280 24.143 ( 0.384 -7.356 11.043) 13.274 24.335 ( 3.325 -1.702 5.036) 6.270 24.676 ( -2.410 -13.424 7.543) 15.586 25.000 ( -5.781 1.247 -16.428) 17.460 25.320 ( -1.259 3.641 -0.897) 3.955 25.544 ( 1.314 -1.095 -2.758) 3.246 25.629 ( 0.019 -0.425 0.704) 0.823 25.667 ( 4.048 0.944 1.126) 4.306 25.729 ( 0.150 0.535 -0.626) 0.838 25.821 ( -0.087 -2.318 -0.803) 2.455 25.931 ( 2.567 2.943 1.250) 4.101 26.000 ( 0.031 -1.421 1.242) 1.888 26.026 ( -1.711 1.480 -2.291) 3.220 26.118 ( 0.336 1.808 0.214) 1.851 26.181 ( 2.500 0.084 -1.895) 3.138 26.349 ( -1.645 -1.663 -3.452) 4.170 26.527 ( -0.761 -0.418 4.002) 4.095 26.634 ( -0.295 -2.623 -0.165) 2.645 26.866 ( -1.498 -2.497 5.905) 6.584 27.052 ( -2.994 1.629 -1.868) 3.887 27.080 ( 1.883 -0.045 -0.824) 2.056 27.643 ( -3.272 2.176 -5.532) 6.786 27.797 ( 3.417 -1.892 2.008) 4.392 28.088 ( -1.919 3.205 -1.578) 4.055 28.290 ( 5.504 2.670 -7.378) 9.584 28.419 ( 4.823 4.881 -0.902) 6.921 28.497 ( -1.641 1.390 1.265) 2.495 28.674 ( -1.587 4.571 0.794) 4.903 28.855 ( 5.132 6.189 -0.824) 8.082 28.957 ( -7.846 -8.535 3.045) 11.987 29.252 ( 4.396 -6.832 0.002) 8.124 29.517 ( -2.569 2.422 -1.894) 4.007 29.696 ( 5.652 0.466 5.212) 7.703 29.799 ( 4.677 -4.079 1.481) 6.380 30.145 ( 2.595 15.924 -2.512) 16.328 30.287 ( -2.840 7.635 -4.968) 9.542 30.391 ( -0.853 10.532 -2.349) 10.824 30.564 ( 8.931 1.423 -6.616) 11.205 30.614 ( 1.517 3.993 -1.516) 4.532 30.729 ( 0.770 1.938 -6.067) 6.416 30.897 ( 1.593 2.298 0.514) 2.844 31.095 ( -6.399 -0.055 2.893) 7.022 31.243 ( 4.040 2.444 0.169) 4.725 31.488 ( 2.745 3.659 0.926) 4.667 31.760 ( -1.812 -1.976 9.549) 9.918 31.863 ( 4.006 -3.804 9.634) 11.105 32.136 ( -6.132 -12.726 -5.121) 15.026 32.340 ( -0.434 3.857 -14.142) 14.665 32.640 ( -7.166 -4.197 -13.609) 15.943 32.756 ( 2.464 -5.455 -17.897) 18.871 33.238 ( -0.133 -0.417 -0.897) 0.998 33.270 ( -1.722 -2.365 -1.790) 3.429 39.628 ( 0.552 -0.131 17.129) 17.139 39.730 ( -4.464 -5.942 17.821) 19.309 ======================= Grid point 96 (23/32) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -5.353 2.829 7.324) 9.503 2.148 ( -5.818 -0.734 6.131) 8.484 2.276 ( -1.429 0.285 3.506) 3.797 2.322 ( -2.306 -0.441 1.430) 2.750 2.492 ( -2.158 -1.125 7.481) 7.867 2.634 ( 0.094 -0.966 2.189) 2.394 2.679 ( -1.478 -0.066 0.490) 1.558 2.749 ( 2.359 1.795 2.388) 3.807 2.871 ( -2.946 2.815 2.499) 4.780 2.924 ( 0.495 2.878 0.014) 2.920 3.044 ( 0.663 -0.531 4.098) 4.185 3.132 ( -2.120 0.440 1.530) 2.651 3.186 ( -0.934 0.415 1.574) 1.877 3.229 ( -1.096 -2.710 3.103) 4.263 3.459 ( -1.430 1.111 2.012) 2.707 3.505 ( 0.118 0.519 -2.662) 2.715 3.687 ( -2.477 2.787 -1.889) 4.180 3.763 ( -1.957 0.870 1.547) 2.642 3.798 ( -2.408 0.513 2.561) 3.553 3.949 ( -1.908 -2.789 -2.453) 4.176 4.008 ( -5.542 0.975 -3.616) 6.689 4.065 ( -3.458 1.761 0.494) 3.912 4.150 ( -3.856 -1.150 3.346) 5.233 4.390 ( 2.782 -0.541 -2.339) 3.674 4.574 ( -1.825 -1.197 1.350) 2.566 4.886 ( 2.416 0.160 -2.794) 3.698 5.076 ( -11.550 1.891 7.195) 13.738 5.302 ( -6.132 -4.851 4.396) 8.970 5.422 ( -1.865 -1.894 3.136) 4.112 5.579 ( -2.215 -1.505 2.984) 4.009 5.824 ( -9.330 5.231 0.662) 10.717 5.940 ( -14.837 6.562 -5.253) 17.053 6.145 ( -4.388 1.195 3.042) 5.471 6.303 ( 1.787 -0.176 1.884) 2.602 6.469 ( -5.349 -3.165 -0.190) 6.218 6.597 ( 4.066 -4.094 3.296) 6.645 6.796 ( -2.682 3.995 -0.709) 4.864 6.875 ( -5.018 -1.620 4.115) 6.689 7.108 ( 0.750 -13.001 1.224) 13.080 7.350 ( -0.020 0.592 -4.749) 4.786 7.565 ( 0.670 0.861 -2.906) 3.105 7.682 ( -0.295 -0.614 3.182) 3.254 7.814 ( -2.361 -4.363 0.640) 5.002 8.104 ( 2.276 2.806 5.919) 6.935 8.393 ( 8.738 1.014 -3.855) 9.604 8.582 ( -5.606 1.345 -4.114) 7.082 8.960 ( -1.652 -4.293 -2.133) 5.070 9.120 ( -1.441 3.799 -5.979) 7.229 9.287 ( 2.715 -4.021 -0.214) 4.857 9.406 ( 10.724 3.277 4.032) 11.917 9.607 ( 8.111 -3.873 7.701) 11.836 9.857 ( -0.077 6.710 -5.103) 8.430 9.963 ( 3.602 0.298 -4.530) 5.795 10.192 ( -6.047 -1.383 -2.931) 6.861 10.414 ( 4.914 4.128 7.490) 9.864 10.608 ( 13.124 4.351 -0.354) 13.831 11.095 ( 5.389 -1.695 -5.788) 8.088 11.363 ( -0.215 7.978 -6.758) 10.458 11.551 ( 2.218 -1.505 -8.796) 9.195 11.630 ( -3.090 5.792 -7.253) 9.782 11.778 ( 7.515 2.469 -3.074) 8.487 12.122 ( 5.742 -9.709 -3.722) 11.878 12.352 ( 8.571 -5.960 -1.561) 10.555 12.506 ( 5.487 1.917 -11.742) 13.101 12.704 ( 8.656 -4.330 -3.679) 10.354 12.889 ( -0.496 5.619 -3.526) 6.652 13.078 ( 4.226 -1.344 -2.679) 5.181 13.262 ( 5.762 -9.455 -8.185) 13.769 13.702 ( -3.656 5.228 -1.229) 6.497 13.934 ( -5.188 1.048 -5.055) 7.319 14.119 ( 0.936 -1.011 3.110) 3.401 14.170 ( 4.403 1.126 5.659) 7.258 14.567 ( -2.751 0.069 11.630) 11.951 14.958 ( -1.279 3.277 -0.199) 3.524 15.129 ( 9.578 -10.559 9.982) 17.403 15.444 ( 2.954 -0.158 12.734) 13.073 15.674 ( -9.012 0.768 4.065) 9.916 15.804 ( -13.275 0.815 8.460) 15.762 15.993 ( 4.822 1.756 13.402) 14.351 16.221 ( 3.739 -2.003 1.021) 4.362 16.310 ( 4.734 7.628 2.470) 9.311 16.518 ( -1.296 0.056 10.959) 11.036 16.711 ( 0.648 -5.444 -1.148) 5.601 16.843 ( 0.769 -2.747 -1.677) 3.309 16.997 ( -1.984 0.866 -2.434) 3.257 17.082 ( 0.736 2.636 -5.912) 6.515 17.160 ( -5.229 3.089 -6.524) 8.913 17.372 ( 0.323 1.764 -0.842) 1.981 17.738 ( -6.194 5.117 -0.046) 8.034 18.076 ( -2.329 7.630 0.896) 8.027 18.270 ( -7.861 0.732 1.600) 8.056 18.367 ( -2.716 -8.790 -1.618) 9.341 18.559 ( -0.364 -2.614 5.653) 6.239 18.806 ( -3.429 -2.101 -7.468) 8.482 19.006 ( -3.620 -3.968 -4.429) 6.962 19.303 ( -5.190 2.267 -2.127) 6.050 19.361 ( 2.477 -1.269 -1.268) 3.058 19.543 ( 0.453 -7.483 -7.209) 10.401 19.766 ( -8.799 7.364 0.242) 11.476 19.960 ( -15.094 -1.291 -0.927) 15.178 20.066 ( -4.309 0.585 1.786) 4.701 20.258 ( -8.858 -3.689 -1.215) 9.672 20.381 ( -3.733 4.523 -0.588) 5.894 20.577 ( 10.143 0.051 5.781) 11.674 20.805 ( -4.360 -1.192 -10.645) 11.565 20.966 ( -1.456 -0.786 -8.820) 8.973 21.299 ( 6.319 -1.775 12.035) 13.708 21.616 ( 8.984 7.437 -0.229) 11.665 21.912 ( 5.198 2.295 -5.043) 7.598 21.955 ( 7.213 -5.745 -5.126) 10.550 22.838 ( 4.107 7.412 6.408) 10.624 23.181 ( 6.674 -2.253 1.038) 7.120 23.576 ( 4.838 -1.814 12.674) 13.687 23.794 ( 4.742 5.119 22.813) 23.856 24.121 ( 4.581 -3.778 8.171) 10.101 24.401 ( 2.668 -5.722 7.303) 9.654 24.618 ( 10.155 -1.812 4.907) 11.423 25.019 ( 3.686 4.392 -13.757) 14.904 25.318 ( -2.758 3.063 -2.022) 4.591 25.538 ( 0.108 -1.938 -2.611) 3.253 25.626 ( -0.114 0.080 0.542) 0.560 25.670 ( -2.167 -2.512 1.010) 3.468 25.751 ( -1.576 -1.590 0.267) 2.255 25.792 ( 2.179 0.342 -1.338) 2.579 25.954 ( -2.394 -0.938 -0.581) 2.636 25.984 ( -1.180 0.000 2.088) 2.398 26.043 ( 2.520 0.451 0.923) 2.721 26.099 ( -2.759 1.525 -1.437) 3.465 26.190 ( -1.417 -2.335 -2.319) 3.583 26.342 ( 1.967 0.962 -3.492) 4.122 26.540 ( 1.110 0.192 3.443) 3.623 26.618 ( 1.915 -0.765 0.932) 2.263 26.874 ( 3.300 -0.261 5.468) 6.392 27.037 ( -0.586 2.182 -1.604) 2.771 27.099 ( 0.133 -0.415 -1.210) 1.286 27.615 ( -1.966 3.437 -5.548) 6.815 27.840 ( 3.230 -4.283 2.321) 5.845 28.058 ( -4.511 3.887 -3.125) 6.725 28.307 ( -4.600 -3.962 -4.788) 7.732 28.431 ( -6.171 0.275 3.824) 7.265 28.501 ( 0.594 0.195 -6.050) 6.082 28.680 ( -4.501 6.679 1.486) 8.190 28.738 ( -5.012 -1.743 2.753) 5.978 29.056 ( 9.305 1.159 -4.131) 10.247 29.273 ( 6.833 -9.570 3.909) 12.392 29.507 ( -4.219 5.332 -0.462) 6.815 29.724 ( -2.628 -9.032 6.401) 11.378 29.740 ( -1.008 -1.032 0.212) 1.458 30.169 ( -14.954 4.506 -4.436) 16.236 30.268 ( -4.939 6.952 -3.753) 9.317 30.379 ( -7.615 5.960 -2.711) 10.043 30.549 ( -8.252 -5.446 -8.498) 13.037 30.660 ( -0.337 -1.964 -2.413) 3.129 30.748 ( -1.588 -0.046 -2.024) 2.573 30.870 ( -6.505 1.215 -0.147) 6.620 31.037 ( 2.386 4.438 1.610) 5.290 31.321 ( -0.851 -1.832 -0.192) 2.029 31.473 ( -4.824 -0.297 2.287) 5.347 31.750 ( 2.155 0.597 10.266) 10.507 31.860 ( 0.977 -5.156 7.666) 9.290 32.126 ( 13.228 -0.464 -4.662) 14.033 32.360 ( -2.007 1.385 -13.738) 13.953 32.628 ( 7.036 4.134 -13.840) 16.067 32.759 ( 3.612 -4.568 -17.525) 18.468 33.242 ( 0.328 -0.281 -1.293) 1.363 33.267 ( 3.037 0.486 -1.488) 3.417 39.628 ( -0.164 -0.548 17.127) 17.136 39.729 ( 7.378 0.899 17.824) 19.312 ======================= Grid point 101 (24/32) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -0.000 -0.000 2.535) 2.535 2.232 ( -0.000 -0.000 5.442) 5.442 2.272 ( -0.000 -0.000 4.317) 4.317 2.341 ( -0.000 -0.000 -0.618) 0.618 2.516 ( -0.000 -0.000 5.831) 5.831 2.611 ( -0.000 -0.000 3.947) 3.947 2.692 ( -0.000 -0.000 0.623) 0.623 2.748 ( -0.000 -0.000 0.699) 0.699 2.916 ( -0.000 -0.000 2.513) 2.513 2.968 ( -0.000 -0.000 -0.932) 0.932 2.975 ( 0.000 0.000 8.268) 8.268 3.157 ( 0.000 -0.000 -0.530) 0.530 3.207 ( -0.000 -0.000 8.047) 8.047 3.260 ( -0.000 -0.000 -0.736) 0.736 3.471 ( 0.000 -0.000 -7.020) 7.020 3.512 ( -0.000 -0.000 5.088) 5.088 3.728 ( 0.000 -0.000 -5.555) 5.555 3.758 ( -0.000 -0.000 3.694) 3.694 3.880 ( -0.000 -0.000 3.103) 3.103 3.917 ( -0.000 0.000 -1.536) 1.536 4.118 ( -0.000 -0.000 -4.257) 4.257 4.131 ( -0.000 -0.000 1.853) 1.853 4.150 ( 0.000 0.000 2.334) 2.334 4.354 ( -0.000 -0.000 -3.109) 3.109 4.593 ( -0.000 -0.000 0.194) 0.194 4.827 ( -0.000 -0.000 1.806) 1.806 5.317 ( -0.000 -0.000 2.145) 2.145 5.340 ( -0.000 -0.000 5.530) 5.530 5.456 ( 0.000 -0.000 4.073) 4.073 5.476 ( -0.000 0.000 -0.135) 0.135 6.055 ( -0.000 0.000 4.858) 4.858 6.070 ( 0.000 -0.000 0.815) 0.815 6.160 ( -0.000 -0.000 12.596) 12.596 6.343 ( -0.000 0.000 -3.019) 3.019 6.484 ( 0.000 -0.000 -1.850) 1.850 6.523 ( -0.000 0.000 -1.003) 1.003 6.879 ( -0.000 -0.000 -5.118) 5.118 6.921 ( -0.000 0.000 3.315) 3.315 6.932 ( 0.000 -0.000 -1.330) 1.330 7.428 ( 0.000 0.000 -6.552) 6.552 7.476 ( -0.000 -0.000 -5.087) 5.087 7.603 ( 0.000 -0.000 -8.211) 8.211 7.936 ( -0.000 0.000 14.631) 14.631 8.052 ( -0.000 -0.000 5.623) 5.623 8.317 ( -0.000 -0.000 2.808) 2.808 8.645 ( -0.000 -0.000 5.835) 5.835 8.993 ( -0.000 -0.000 -8.309) 8.309 9.047 ( -0.000 -0.000 -6.578) 6.578 9.321 ( 0.000 0.000 5.116) 5.116 9.336 ( -0.000 -0.000 1.927) 1.927 9.423 ( -0.000 -0.000 -5.944) 5.944 9.870 ( 0.000 -0.000 2.969) 2.969 9.987 ( 0.000 -0.000 3.791) 3.791 10.356 ( 0.000 0.000 -21.228) 21.228 10.381 ( 0.000 -0.000 12.907) 12.907 10.432 ( -0.000 -0.000 2.513) 2.513 11.092 ( -0.000 0.000 -2.676) 2.676 11.386 ( -0.000 -0.000 -4.655) 4.655 11.530 ( -0.000 -0.000 -8.766) 8.766 11.603 ( -0.000 -0.000 -14.988) 14.988 11.758 ( -0.000 -0.000 -8.018) 8.018 12.159 ( -0.000 -0.000 -5.987) 5.987 12.164 ( 0.000 0.000 8.075) 8.075 12.403 ( -0.000 -0.000 -2.560) 2.560 12.522 ( 0.000 -0.000 -10.710) 10.710 12.972 ( 0.000 -0.000 -7.571) 7.571 13.009 ( -0.000 -0.000 -3.491) 3.491 13.136 ( -0.000 -0.000 -4.211) 4.211 13.785 ( -0.000 -0.000 -4.776) 4.776 14.025 ( -0.000 -0.000 -5.975) 5.975 14.060 ( -0.000 -0.000 4.678) 4.678 14.135 ( -0.000 -0.000 7.177) 7.177 14.662 ( -0.000 -0.000 5.446) 5.446 14.841 ( -0.000 -0.000 19.691) 19.691 15.054 ( -0.000 -0.000 -6.308) 6.308 15.388 ( -0.000 -0.000 13.532) 13.532 15.799 ( -0.000 -0.000 7.796) 7.796 15.929 ( -0.000 -0.000 10.655) 10.655 15.994 ( -0.000 -0.000 16.941) 16.941 16.139 ( 0.000 -0.000 -2.135) 2.135 16.305 ( -0.000 -0.000 -0.108) 0.108 16.566 ( -0.000 -0.000 15.326) 15.326 16.674 ( -0.000 -0.000 -4.454) 4.454 16.768 ( -0.000 -0.000 -0.817) 0.817 17.032 ( -0.000 -0.000 -4.819) 4.819 17.109 ( -0.000 -0.000 -6.133) 6.133 17.232 ( -0.000 -0.000 -9.222) 9.222 17.346 ( -0.000 -0.000 0.864) 0.864 17.927 ( -0.000 -0.000 -4.069) 4.069 18.119 ( -0.000 -0.000 -11.814) 11.814 18.244 ( -0.000 0.000 16.861) 16.861 18.432 ( -0.000 -0.000 1.900) 1.900 18.623 ( -0.000 -0.000 6.942) 6.942 18.722 ( -0.000 -0.000 -11.763) 11.763 19.062 ( -0.000 -0.000 -6.118) 6.118 19.317 ( -0.000 -0.000 -3.110) 3.110 19.335 ( 0.000 -0.000 -0.929) 0.929 19.471 ( -0.000 -0.000 -8.137) 8.137 19.967 ( -0.000 -0.000 2.701) 2.701 20.044 ( -0.000 -0.000 1.049) 1.049 20.219 ( 0.000 0.000 0.085) 0.085 20.233 ( -0.000 -0.000 4.770) 4.770 20.382 ( -0.000 -0.000 6.764) 6.764 20.626 ( -0.000 -0.000 -6.895) 6.895 20.828 ( -0.000 -0.000 -13.560) 13.560 20.924 ( -0.000 -0.000 -8.884) 8.884 21.196 ( -0.000 -0.000 16.667) 16.667 21.638 ( 0.000 -0.000 -1.033) 1.033 21.758 ( -0.000 -0.000 -2.631) 2.631 21.921 ( -0.000 -0.000 -5.740) 5.740 22.897 ( 0.000 -0.000 0.485) 0.485 23.050 ( -0.000 -0.000 -0.936) 0.936 23.513 ( -0.000 -0.000 18.525) 18.525 23.785 ( -0.000 -0.000 20.390) 20.390 24.041 ( -0.000 -0.000 13.730) 13.730 24.318 ( -0.000 -0.000 6.721) 6.721 24.509 ( -0.000 -0.000 10.504) 10.504 24.982 ( -0.000 -0.000 -23.482) 23.482 25.455 ( -0.000 -0.000 -4.767) 4.767 25.503 ( -0.000 0.000 -3.453) 3.453 25.625 ( -0.000 -0.000 1.397) 1.397 25.664 ( -0.000 -0.000 1.692) 1.692 25.704 ( -0.000 -0.000 1.004) 1.004 25.799 ( -0.000 -0.000 -1.167) 1.167 25.979 ( 0.000 0.000 1.820) 1.820 25.982 ( -0.000 -0.000 2.404) 2.404 26.011 ( -0.000 -0.000 0.862) 0.862 26.152 ( -0.000 -0.000 -1.985) 1.985 26.184 ( -0.000 -0.000 0.051) 0.051 26.326 ( -0.000 -0.000 -3.330) 3.330 26.542 ( -0.000 -0.000 3.357) 3.357 26.583 ( -0.000 -0.000 -2.607) 2.607 26.842 ( -0.000 -0.000 6.644) 6.644 27.059 ( -0.000 -0.000 -1.756) 1.756 27.099 ( -0.000 -0.000 -0.466) 0.466 27.673 ( -0.000 -0.000 -8.021) 8.021 27.764 ( -0.000 -0.000 2.983) 2.983 28.135 ( -0.000 -0.000 -0.363) 0.363 28.377 ( -0.000 0.000 -13.367) 13.367 28.384 ( 0.000 -0.000 3.496) 3.496 28.604 ( -0.000 -0.000 1.293) 1.293 28.670 ( 0.000 -0.000 -6.256) 6.256 28.876 ( -0.000 -0.000 12.868) 12.868 28.989 ( -0.000 0.000 -0.668) 0.668 29.090 ( -0.000 -0.000 1.264) 1.264 29.529 ( -0.000 -0.000 -1.867) 1.867 29.723 ( -0.000 -0.000 5.702) 5.702 29.736 ( 0.000 -0.000 -1.406) 1.406 30.368 ( 0.000 -0.000 7.314) 7.314 30.419 ( 0.000 -0.000 -14.475) 14.475 30.485 ( -0.000 -0.000 -8.953) 8.953 30.566 ( 0.000 -0.000 -4.862) 4.862 30.674 ( -0.000 -0.000 -8.392) 8.392 30.743 ( -0.000 -0.000 1.354) 1.354 30.946 ( -0.000 0.000 5.276) 5.276 31.028 ( 0.000 -0.000 9.143) 9.143 31.276 ( -0.000 -0.000 -0.189) 0.189 31.660 ( -0.000 0.000 -2.972) 2.972 31.778 ( -0.000 0.000 1.810) 1.810 31.802 ( -0.000 -0.000 9.216) 9.216 31.838 ( -0.000 -0.000 5.608) 5.608 32.424 ( -0.000 -0.000 -17.605) 17.605 32.619 ( -0.000 -0.000 -16.365) 16.365 32.629 ( 0.000 0.000 -16.509) 16.509 33.239 ( -0.000 0.000 -0.983) 0.983 33.239 ( 0.000 -0.000 -1.793) 1.793 39.643 ( -0.000 -0.000 17.373) 17.373 39.647 ( 0.000 0.000 17.448) 17.448 ======================= Grid point 129 (25/32) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 0.000 16.494) 16.494 2.060 ( 0.000 0.000 17.741) 17.741 2.067 ( 0.000 0.000 -4.086) 4.086 2.187 ( 0.000 0.000 1.036) 1.036 2.488 ( -0.000 0.000 3.596) 3.596 2.619 ( 0.000 0.000 -0.523) 0.523 2.620 ( -0.000 0.000 -5.093) 5.093 2.641 ( 0.000 -0.000 -2.766) 2.766 2.710 ( 0.000 -0.000 6.324) 6.324 2.857 ( 0.000 0.000 -8.077) 8.077 2.960 ( -0.000 0.000 8.504) 8.504 3.154 ( 0.000 0.000 -10.817) 10.817 3.265 ( 0.000 0.000 16.797) 16.797 3.277 ( 0.000 -0.000 5.926) 5.926 3.314 ( 0.000 0.000 -0.581) 0.581 3.375 ( 0.000 0.000 -4.758) 4.758 3.435 ( 0.000 0.000 -7.126) 7.126 3.460 ( -0.000 -0.000 -4.032) 4.032 3.742 ( 0.000 0.000 8.165) 8.165 3.799 ( 0.000 -0.000 -2.184) 2.184 3.899 ( 0.000 0.000 1.372) 1.372 3.921 ( 0.000 0.000 -0.657) 0.657 4.019 ( -0.000 0.000 17.097) 17.097 4.368 ( 0.000 -0.000 -13.970) 13.970 4.383 ( 0.000 -0.000 10.717) 10.717 4.632 ( -0.000 0.000 -13.166) 13.166 4.738 ( 0.000 0.000 6.071) 6.071 4.879 ( 0.000 -0.000 -5.604) 5.604 5.145 ( 0.000 0.000 15.598) 15.598 5.371 ( -0.000 0.000 -4.389) 4.389 5.382 ( 0.000 0.000 1.233) 1.233 5.486 ( -0.000 0.000 -8.160) 8.160 5.713 ( 0.000 -0.000 -0.051) 0.051 5.739 ( -0.000 0.000 -3.019) 3.019 6.510 ( 0.000 -0.000 1.644) 1.644 6.525 ( -0.000 -0.000 0.996) 0.996 6.588 ( 0.000 0.000 7.467) 7.467 6.671 ( 0.000 0.000 -0.526) 0.526 6.893 ( -0.000 0.000 -1.897) 1.897 6.961 ( 0.000 0.000 -7.810) 7.810 7.910 ( -0.000 0.000 11.849) 11.849 7.940 ( 0.000 0.000 4.420) 4.420 8.085 ( -0.000 -0.000 -10.512) 10.512 8.109 ( 0.000 0.000 -7.252) 7.252 8.251 ( 0.000 -0.000 16.106) 16.106 8.618 ( 0.000 0.000 -19.615) 19.615 8.820 ( 0.000 -0.000 14.220) 14.220 9.168 ( 0.000 -0.000 -19.043) 19.043 9.380 ( -0.000 0.000 9.002) 9.002 9.449 ( 0.000 0.000 12.943) 12.943 9.562 ( 0.000 0.000 -7.237) 7.237 9.781 ( 0.000 0.000 -18.832) 18.832 10.184 ( 0.000 0.000 21.688) 21.688 10.672 ( 0.000 -0.000 -26.855) 26.855 11.053 ( 0.000 0.000 5.581) 5.581 11.199 ( 0.000 -0.000 -8.938) 8.938 11.761 ( 0.000 0.000 8.091) 8.091 11.824 ( 0.000 0.000 1.282) 1.282 11.860 ( 0.000 -0.000 16.908) 16.908 12.004 ( 0.000 0.000 9.638) 9.638 12.167 ( 0.000 0.000 -11.791) 11.791 12.263 ( 0.000 0.000 -16.493) 16.493 12.433 ( 0.000 -0.000 5.495) 5.495 12.574 ( 0.000 0.000 -6.048) 6.048 13.062 ( -0.000 0.000 0.611) 0.611 13.093 ( 0.000 -0.000 2.940) 2.940 13.150 ( 0.000 -0.000 -8.890) 8.890 13.208 ( 0.000 0.000 -7.083) 7.083 13.896 ( -0.000 0.000 2.101) 2.101 13.945 ( -0.000 -0.000 -2.829) 2.829 14.535 ( 0.000 0.000 4.499) 4.499 14.552 ( 0.000 -0.000 3.700) 3.700 14.581 ( 0.000 0.000 0.265) 0.265 14.663 ( -0.000 0.000 -6.905) 6.905 14.878 ( 0.000 0.000 12.703) 12.703 15.026 ( -0.000 0.000 -1.271) 1.271 15.742 ( -0.000 0.000 6.536) 6.536 15.873 ( 0.000 0.000 -6.063) 6.063 16.135 ( 0.000 -0.000 13.348) 13.348 16.384 ( -0.000 0.000 -11.208) 11.208 16.430 ( 0.000 0.000 -0.746) 0.746 16.454 ( -0.000 0.000 -1.929) 1.929 16.920 ( -0.000 0.000 9.737) 9.737 17.021 ( 0.000 0.000 -1.521) 1.521 17.141 ( 0.000 0.000 5.949) 5.949 17.166 ( 0.000 0.000 1.314) 1.314 17.202 ( 0.000 0.000 -2.023) 2.023 17.228 ( 0.000 0.000 3.617) 3.617 17.485 ( 0.000 0.000 9.856) 9.856 17.776 ( -0.000 0.000 -13.941) 13.941 18.090 ( 0.000 -0.000 14.430) 14.430 18.149 ( -0.000 0.000 2.727) 2.727 18.156 ( -0.000 0.000 2.724) 2.724 18.349 ( 0.000 0.000 10.701) 10.701 18.354 ( 0.000 -0.000 -11.353) 11.353 18.696 ( 0.000 -0.000 -22.612) 22.612 18.934 ( -0.000 0.000 17.123) 17.123 19.282 ( 0.000 -0.000 7.068) 7.068 19.296 ( -0.000 0.000 -17.524) 17.524 19.439 ( 0.000 0.000 -8.360) 8.360 19.837 ( 0.000 0.000 11.313) 11.313 20.120 ( 0.000 -0.000 -16.498) 16.498 20.195 ( -0.000 0.000 6.624) 6.624 20.371 ( 0.000 0.000 -9.944) 9.944 20.665 ( -0.000 -0.000 0.894) 0.894 20.697 ( 0.000 -0.000 -2.284) 2.284 21.982 ( 0.000 -0.000 12.240) 12.240 22.218 ( 0.000 -0.000 -10.928) 10.928 22.304 ( 0.000 -0.000 2.397) 2.397 22.334 ( -0.000 -0.000 -0.165) 0.165 23.530 ( 0.000 0.000 13.684) 13.684 23.615 ( 0.000 0.000 4.046) 4.046 24.095 ( 0.000 0.000 -5.939) 5.939 24.147 ( 0.000 0.000 -9.674) 9.674 24.671 ( 0.000 0.000 19.923) 19.923 24.814 ( -0.000 0.000 20.528) 20.528 24.989 ( 0.000 -0.000 -11.102) 11.102 25.175 ( 0.000 0.000 -14.640) 14.640 25.557 ( 0.000 0.000 1.902) 1.902 25.612 ( 0.000 0.000 -3.275) 3.275 25.671 ( 0.000 0.000 2.198) 2.198 25.677 ( -0.000 0.000 1.114) 1.114 25.734 ( -0.000 0.000 0.649) 0.649 25.744 ( 0.000 0.000 6.388) 6.388 25.767 ( -0.000 0.000 -2.833) 2.833 25.875 ( 0.000 -0.000 -6.996) 6.996 25.887 ( 0.000 0.000 3.742) 3.742 25.990 ( 0.000 0.000 -6.021) 6.021 26.229 ( 0.000 0.000 4.654) 4.654 26.337 ( 0.000 -0.000 -5.306) 5.306 26.715 ( 0.000 -0.000 0.813) 0.813 26.721 ( 0.000 -0.000 0.240) 0.240 26.906 ( 0.000 -0.000 0.936) 0.936 26.930 ( 0.000 -0.000 -1.613) 1.613 27.508 ( 0.000 0.000 8.990) 8.990 27.708 ( -0.000 0.000 -7.532) 7.532 27.839 ( 0.000 0.000 1.453) 1.453 27.926 ( 0.000 0.000 3.770) 3.770 27.970 ( -0.000 0.000 -13.840) 13.840 27.998 ( 0.000 0.000 -3.132) 3.132 28.525 ( 0.000 0.000 5.333) 5.333 28.565 ( 0.000 0.000 8.228) 8.228 28.638 ( 0.000 0.000 -5.614) 5.614 28.681 ( 0.000 0.000 -2.833) 2.833 29.088 ( 0.000 0.000 18.542) 18.542 29.331 ( 0.000 0.000 -0.043) 0.043 29.333 ( 0.000 0.000 -0.432) 0.432 29.470 ( 0.000 -0.000 -19.462) 19.462 29.598 ( 0.000 0.000 5.507) 5.507 29.702 ( 0.000 0.000 -5.536) 5.536 30.014 ( 0.000 0.000 6.873) 6.873 30.090 ( 0.000 0.000 -2.623) 2.623 30.475 ( -0.000 0.000 5.334) 5.334 30.526 ( -0.000 -0.000 -4.478) 4.478 30.592 ( 0.000 0.000 -9.703) 9.703 30.613 ( -0.000 -0.000 -7.036) 7.036 31.230 ( -0.000 0.000 3.912) 3.912 31.291 ( -0.000 0.000 -1.619) 1.619 32.271 ( -0.000 0.000 12.096) 12.096 32.346 ( 0.000 0.000 12.246) 12.246 32.468 ( -0.000 0.000 -7.256) 7.256 32.580 ( -0.000 0.000 -11.411) 11.411 32.592 ( 0.000 0.000 16.686) 16.686 32.879 ( -0.000 0.000 -12.130) 12.130 33.365 ( 0.000 -0.000 0.901) 0.901 33.410 ( -0.000 0.000 -3.362) 3.362 40.080 ( -0.000 0.000 17.937) 17.937 40.388 ( -0.000 0.000 -12.768) 12.768 ======================= Grid point 130 (26/32) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 7.442 4.249 12.674) 15.299 2.132 ( 4.365 2.147 -1.090) 4.985 2.151 ( 4.921 3.169 10.952) 12.418 2.251 ( 3.551 2.092 0.604) 4.165 2.514 ( 2.406 1.422 5.764) 6.406 2.649 ( 1.044 1.426 -0.023) 1.767 2.668 ( 3.189 1.024 -2.205) 4.010 2.712 ( 3.352 2.158 -2.485) 4.697 2.738 ( 3.065 1.501 3.110) 4.617 2.844 ( -0.639 -0.372 -4.793) 4.850 3.012 ( 3.569 1.850 5.827) 7.079 3.120 ( 0.126 0.457 -1.932) 1.989 3.242 ( -1.200 -1.009 1.427) 2.120 3.308 ( -1.829 -0.690 -5.308) 5.657 3.358 ( 4.153 1.976 4.457) 6.404 3.436 ( 5.361 3.177 2.385) 6.672 3.500 ( 4.375 2.633 -1.512) 5.326 3.587 ( 6.544 4.032 -4.235) 8.776 3.728 ( 1.016 0.507 6.350) 6.450 3.811 ( 1.163 0.987 -3.018) 3.382 3.882 ( -1.786 -1.280 1.785) 2.831 3.933 ( 1.766 0.643 -1.814) 2.612 4.072 ( 4.821 2.993 17.083) 18.001 4.363 ( 1.456 0.888 -8.360) 8.532 4.576 ( 8.614 6.178 4.687) 11.590 4.687 ( 2.624 -0.584 -3.729) 4.597 4.893 ( 10.200 7.246 1.921) 12.658 4.976 ( 7.704 3.576 -4.921) 9.816 5.163 ( 5.626 3.425 10.812) 12.661 5.301 ( 1.481 1.184 0.496) 1.960 5.495 ( 4.361 2.450 -4.353) 6.631 5.541 ( 4.719 2.812 -7.298) 9.134 5.746 ( 3.468 2.038 2.957) 4.992 5.838 ( 7.325 3.902 -5.990) 10.235 6.509 ( -0.001 -1.070 4.520) 4.645 6.569 ( 0.690 2.511 -0.757) 2.711 6.649 ( 6.321 2.107 3.796) 7.668 6.716 ( 2.994 2.590 -2.563) 4.716 7.026 ( 8.996 5.084 1.927) 10.511 7.102 ( 11.786 6.749 -3.809) 14.106 7.787 ( -7.330 -4.505 6.518) 10.794 7.832 ( -5.085 -2.563 4.217) 7.086 8.087 ( -6.053 -5.361 3.425) 8.782 8.166 ( 1.399 2.193 -5.863) 6.414 8.281 ( 3.512 2.302 10.252) 11.079 8.591 ( -1.561 -0.193 -18.313) 18.380 8.744 ( -1.743 -1.678 7.786) 8.153 9.037 ( -8.427 -4.966 -17.686) 20.211 9.324 ( -3.644 -1.089 4.397) 5.814 9.364 ( -0.621 -1.827 0.343) 1.959 9.769 ( 8.399 5.298 2.784) 10.313 9.903 ( 5.265 3.513 -10.695) 12.427 10.163 ( -0.393 -0.407 20.737) 20.745 10.621 ( -4.169 -2.437 -23.252) 23.749 10.916 ( -10.644 -5.753 8.020) 14.515 11.119 ( -11.087 -6.536 -9.239) 15.843 11.352 ( -18.613 -13.424 3.577) 23.226 11.455 ( -22.337 -11.066 -3.302) 25.145 11.761 ( -3.344 -3.751 11.320) 12.385 11.971 ( -8.070 -1.659 -7.415) 11.085 12.113 ( -6.654 -2.071 10.568) 12.659 12.363 ( -1.863 -1.879 -6.732) 7.234 12.430 ( -1.604 -1.694 -0.973) 2.528 12.558 ( -0.739 -1.700 -8.294) 8.499 12.897 ( -8.824 -6.757 4.085) 11.841 13.044 ( -6.811 -5.281 -6.005) 10.504 13.111 ( 0.439 2.124 -2.439) 3.264 13.200 ( -0.175 1.638 -6.466) 6.673 13.776 ( -6.445 -3.978 3.041) 8.162 13.849 ( -5.651 -2.929 -4.375) 7.724 14.353 ( -6.095 -3.306 4.513) 8.273 14.408 ( -5.919 -3.274 -0.468) 6.781 14.719 ( 3.168 1.091 5.906) 6.790 14.782 ( 4.632 1.536 1.100) 5.002 15.108 ( 14.481 9.403 4.672) 17.887 15.199 ( 11.826 6.951 -2.345) 13.916 15.698 ( -2.012 -1.754 7.285) 7.759 15.827 ( -4.265 -0.964 -5.141) 6.749 16.138 ( 1.201 -0.516 12.841) 12.907 16.387 ( -0.841 1.232 -8.305) 8.438 16.467 ( 4.987 0.120 1.437) 5.191 16.546 ( 2.978 2.700 -4.018) 5.683 16.793 ( -7.665 -3.329 8.067) 11.615 16.880 ( -4.613 -5.057 -0.961) 6.912 17.089 ( -5.934 -3.195 5.540) 8.724 17.132 ( -3.813 -1.638 1.938) 4.580 17.198 ( -0.845 1.838 0.611) 2.113 17.295 ( 1.120 0.982 -5.851) 6.037 17.562 ( 7.412 3.295 11.685) 14.224 17.809 ( 4.221 1.092 -8.289) 9.366 18.080 ( 2.543 -0.941 10.407) 10.754 18.246 ( 1.783 6.543 1.453) 6.936 18.302 ( 8.515 1.575 -2.376) 8.980 18.472 ( 7.396 4.182 -10.206) 13.280 18.631 ( 17.585 12.853 9.023) 23.576 18.822 ( 15.753 7.251 -11.450) 20.781 19.039 ( 8.301 4.845 10.866) 14.507 19.301 ( 1.058 0.488 -12.141) 12.196 19.360 ( 5.618 3.370 3.527) 7.440 19.493 ( 2.104 1.124 -7.520) 7.889 19.836 ( 1.334 0.732 9.556) 9.677 20.068 ( -1.774 -1.068 -11.752) 11.933 20.365 ( 10.136 5.950 2.052) 11.931 20.474 ( 6.486 3.932 -6.721) 10.134 20.637 ( -1.242 -0.963 2.367) 2.841 20.713 ( 0.888 0.585 -5.309) 5.414 21.876 ( -8.092 -4.649 12.786) 15.829 22.118 ( -8.254 -4.729 -10.344) 14.053 22.181 ( -8.657 -5.010 0.908) 10.043 22.202 ( -9.543 -5.557 -0.394) 11.050 23.474 ( -10.477 -6.409 7.047) 14.160 23.505 ( -4.279 -2.101 6.460) 8.028 23.987 ( -6.029 -3.471 1.836) 7.194 24.149 ( 0.618 0.322 -10.946) 10.968 24.616 ( -6.309 -3.750 18.912) 20.286 24.703 ( -6.644 -3.613 20.740) 22.076 24.937 ( -5.247 -3.167 -12.176) 13.632 25.085 ( -6.963 -4.076 -15.674) 17.629 25.500 ( -6.176 -3.361 3.361) 7.793 25.551 ( -4.218 -2.553 -2.159) 5.383 25.622 ( 0.202 -1.386 2.793) 3.125 25.648 ( -1.055 1.435 1.834) 2.557 25.676 ( -0.555 -0.800 -0.240) 1.002 25.727 ( 0.777 0.773 -3.777) 3.933 25.842 ( 3.217 1.569 3.373) 4.918 25.929 ( 2.621 0.908 -0.350) 2.795 25.940 ( 2.976 2.094 -2.875) 4.638 26.001 ( 1.020 0.631 -3.931) 4.110 26.212 ( -1.164 -0.609 5.232) 5.394 26.325 ( -0.976 -0.516 -5.557) 5.666 26.706 ( -1.349 -0.797 1.364) 2.077 26.711 ( -0.579 -0.336 0.680) 0.954 26.950 ( 2.639 1.562 0.839) 3.179 26.972 ( 1.995 1.155 -1.640) 2.829 27.350 ( -8.457 -4.993 9.945) 13.977 27.591 ( -7.549 -3.920 -11.446) 14.261 27.839 ( -1.321 -1.477 3.238) 3.796 27.919 ( -1.451 -0.461 -4.432) 4.687 28.029 ( 9.021 6.006 1.313) 10.916 28.113 ( 8.615 3.222 -7.339) 11.767 28.386 ( 0.015 0.867 7.405) 7.456 28.521 ( -0.855 0.151 -5.480) 5.548 28.867 ( 2.286 1.174 13.820) 14.056 29.078 ( 14.106 6.254 -4.127) 15.972 29.236 ( 13.538 10.142 1.104) 16.951 29.279 ( 1.434 1.005 -3.903) 4.278 29.436 ( 6.565 3.178 2.939) 7.864 29.529 ( 7.009 2.218 -6.226) 9.634 29.698 ( 7.241 5.175 8.012) 11.975 29.871 ( 9.564 6.256 -8.958) 14.521 30.073 ( 4.949 2.910 2.562) 6.287 30.116 ( 2.083 1.123 -3.200) 3.980 30.431 ( 0.983 0.187 2.025) 2.259 30.532 ( -0.153 -0.407 -7.594) 7.606 30.651 ( 5.958 3.806 -0.270) 7.075 30.747 ( 6.638 3.890 -7.582) 10.802 31.243 ( 0.972 0.514 2.444) 2.680 31.294 ( 1.029 0.597 -2.015) 2.340 32.208 ( -4.827 -2.772 11.654) 12.915 32.264 ( -6.064 -3.475 10.651) 12.739 32.381 ( -5.833 -3.354 0.177) 6.731 32.498 ( -6.406 -3.783 -10.705) 13.036 32.595 ( -0.919 -0.488 6.194) 6.281 32.804 ( -5.903 -3.412 -10.934) 12.885 33.326 ( -2.741 -1.583 0.896) 3.290 33.367 ( -3.090 -1.781 -2.976) 4.645 40.029 ( -3.603 -2.080 15.706) 16.248 40.267 ( -8.424 -4.863 -7.575) 12.329 ======================= Grid point 131 (27/32) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 4.738 2.329 7.657) 9.300 2.222 ( 2.295 0.990 4.511) 5.157 2.257 ( 3.576 2.397 0.399) 4.324 2.310 ( 1.377 0.831 -0.887) 1.837 2.584 ( 2.024 0.816 4.990) 5.446 2.664 ( -1.207 1.141 0.087) 1.663 2.708 ( 0.290 0.979 2.777) 2.959 2.740 ( 0.788 -0.450 -0.422) 1.001 2.836 ( 2.384 -0.000 -0.512) 2.438 2.856 ( 2.678 1.271 -2.382) 3.803 3.090 ( 1.727 0.818 2.620) 3.243 3.128 ( -1.027 -0.634 0.009) 1.207 3.229 ( 0.591 1.447 1.554) 2.204 3.295 ( 1.053 -0.339 -4.021) 4.171 3.439 ( 2.002 0.931 4.804) 5.287 3.503 ( -0.067 0.655 0.768) 1.011 3.619 ( 4.233 2.465 1.526) 5.131 3.709 ( 3.548 1.101 -5.149) 6.349 3.777 ( -0.084 1.262 2.079) 2.434 3.825 ( 1.013 2.474 -2.767) 3.847 3.959 ( 5.396 3.132 2.234) 6.627 4.001 ( 5.686 0.557 -0.517) 5.736 4.193 ( 2.976 2.544 10.402) 11.115 4.374 ( -1.662 -0.004 -5.844) 6.076 4.640 ( -0.827 0.474 3.543) 3.669 4.736 ( 0.450 -3.801 -6.035) 7.147 5.120 ( 8.853 9.434 6.574) 14.512 5.233 ( 10.008 5.638 -3.604) 12.039 5.414 ( 11.319 1.894 6.027) 12.962 5.517 ( 10.295 5.345 4.548) 12.460 5.578 ( 3.143 2.335 -3.825) 5.474 5.711 ( 3.439 6.513 -7.019) 10.174 5.976 ( 17.243 7.519 5.777) 19.678 6.127 ( 16.377 8.424 -8.304) 20.202 6.508 ( 1.174 0.794 7.763) 7.892 6.633 ( 3.417 1.333 -2.825) 4.629 6.779 ( 2.109 4.112 0.160) 4.624 6.806 ( 2.981 1.860 -2.401) 4.256 7.251 ( 5.817 6.014 5.347) 9.930 7.369 ( 0.789 2.304 -5.604) 6.111 7.646 ( 1.456 -7.155 10.348) 12.665 7.751 ( -1.140 0.557 3.545) 3.765 7.844 ( -5.410 -6.650 7.006) 11.071 8.120 ( -4.319 1.199 -13.281) 14.017 8.336 ( 0.583 0.508 11.331) 11.357 8.572 ( -4.027 1.657 -7.517) 8.687 8.822 ( 7.331 1.422 -3.249) 8.144 8.916 ( 1.634 -0.450 -8.810) 8.971 9.280 ( 1.410 0.461 1.306) 1.976 9.365 ( 3.137 -1.166 -7.677) 8.375 9.839 ( -7.045 2.000 5.024) 8.881 9.922 ( -5.011 1.228 -3.622) 6.303 10.130 ( -11.559 -6.635 10.924) 17.233 10.349 ( -16.236 -10.963 -1.860) 19.679 10.549 ( -9.470 -6.973 7.347) 13.866 10.805 ( -2.142 -6.021 -9.542) 11.484 10.894 ( -13.149 -8.814 0.443) 15.836 11.165 ( -6.080 -7.448 -18.393) 20.754 11.601 ( -10.850 1.934 12.287) 16.505 11.758 ( -13.589 -2.169 0.365) 13.766 11.898 ( -5.259 -3.047 5.756) 8.371 12.165 ( -7.662 -6.355 -15.813) 18.685 12.380 ( -1.414 -2.596 2.437) 3.831 12.478 ( -3.245 -4.234 -5.353) 7.558 12.696 ( -3.298 -9.531 2.204) 10.323 12.791 ( -8.724 -6.495 -6.420) 12.629 13.169 ( 0.085 5.559 2.729) 6.194 13.273 ( 0.787 6.240 -7.991) 10.169 13.671 ( -1.325 -1.356 4.288) 4.689 13.767 ( -1.003 0.191 -5.413) 5.508 14.244 ( -2.482 -2.477 4.905) 6.029 14.290 ( -3.091 -2.933 0.469) 4.287 14.746 ( 0.268 -1.545 7.762) 7.919 14.849 ( 2.172 -1.241 -2.152) 3.300 15.445 ( 7.299 9.060 0.113) 11.635 15.458 ( 7.886 2.961 -1.200) 8.509 15.712 ( 0.811 3.376 9.481) 10.097 15.793 ( 4.346 4.444 2.737) 6.792 16.141 ( -0.950 -4.151 8.225) 9.262 16.330 ( -4.276 -5.179 -6.011) 9.013 16.455 ( -1.992 -3.412 7.847) 8.785 16.585 ( 1.262 2.287 -1.794) 3.169 16.734 ( -0.468 0.475 1.204) 1.376 16.818 ( 1.874 -3.243 -5.280) 6.474 16.923 ( -5.294 -1.946 5.758) 8.060 17.020 ( -6.226 -0.326 -3.199) 7.007 17.213 ( -1.169 4.303 4.781) 6.538 17.308 ( -0.918 1.245 -3.996) 4.285 17.669 ( 2.064 0.168 7.079) 7.376 17.898 ( 2.667 -2.710 -9.771) 10.484 18.193 ( 7.273 1.522 7.049) 10.242 18.296 ( 6.741 -1.748 -6.017) 9.204 18.552 ( 8.788 8.276 3.483) 12.564 18.669 ( 4.663 7.901 -7.081) 11.589 19.016 ( 6.902 9.729 11.141) 16.322 19.244 ( 1.183 0.262 -3.533) 3.736 19.293 ( 16.137 5.550 -1.241) 17.110 19.360 ( 5.693 2.319 -4.615) 7.687 19.542 ( 7.758 2.305 1.067) 8.164 19.631 ( 14.791 10.305 -5.941) 18.981 19.960 ( 9.029 4.454 2.480) 10.369 20.044 ( 1.958 0.384 -5.032) 5.414 20.499 ( -5.132 -0.782 2.797) 5.897 20.578 ( 1.556 1.728 -4.795) 5.329 20.707 ( 6.402 1.392 2.473) 7.003 20.784 ( 6.150 4.056 -5.706) 9.319 21.623 ( -10.529 -6.204 11.307) 16.649 21.793 ( -16.941 -8.385 -4.097) 19.341 21.948 ( -7.743 -4.587 -1.341) 9.099 21.970 ( -6.961 -5.072 -4.991) 9.955 23.138 ( -13.367 -8.058 9.428) 18.234 23.295 ( -10.770 -5.905 -5.223) 13.347 23.901 ( -1.564 -0.867 14.355) 14.466 24.160 ( -0.667 -0.837 -7.207) 7.286 24.386 ( -8.157 -4.473 20.139) 22.184 24.570 ( -3.325 -1.695 10.616) 11.253 24.745 ( -8.627 -3.824 -11.377) 14.781 24.858 ( -8.731 -6.799 -12.905) 17.000 25.382 ( -3.047 -1.183 6.022) 6.852 25.492 ( -0.680 -0.323 -4.538) 4.600 25.637 ( 0.580 0.770 1.521) 1.800 25.660 ( 1.774 0.807 -0.421) 1.994 25.701 ( 2.066 1.111 1.715) 2.906 25.774 ( 0.878 1.740 -4.642) 5.035 25.910 ( 2.655 0.453 2.135) 3.437 25.956 ( 0.674 -1.066 -2.402) 2.714 26.025 ( 2.861 1.830 0.653) 3.458 26.060 ( 3.864 2.360 -2.517) 5.180 26.182 ( -1.370 -0.275 4.870) 5.066 26.288 ( -2.152 -0.863 -5.311) 5.795 26.652 ( -2.370 -1.475 3.211) 4.254 26.681 ( -1.631 -0.833 0.085) 1.834 26.985 ( -0.511 -0.112 1.593) 1.677 27.007 ( 1.368 0.442 -0.525) 1.530 27.185 ( -3.965 -2.523 9.642) 10.726 27.433 ( -5.149 -1.777 -13.034) 14.126 27.882 ( 5.303 0.412 3.036) 6.125 27.960 ( 1.983 3.883 -2.586) 5.069 28.203 ( 5.128 0.387 0.282) 5.151 28.273 ( 5.479 0.449 -4.841) 7.325 28.491 ( 4.467 5.631 4.942) 8.723 28.580 ( 2.583 4.520 -3.505) 6.276 28.817 ( -2.775 -1.241 9.960) 10.413 29.036 ( -6.209 -3.546 -11.303) 13.375 29.370 ( 2.547 -2.491 5.854) 6.853 29.472 ( 0.369 0.002 -2.582) 2.608 29.700 ( 11.974 5.830 5.090) 14.257 29.829 ( 14.021 4.262 -4.071) 15.209 29.943 ( 8.906 10.213 8.879) 16.201 30.067 ( 1.732 7.622 -3.414) 8.530 30.177 ( 3.970 -0.174 -3.535) 5.319 30.234 ( 5.336 3.369 -8.981) 10.976 30.555 ( 9.843 1.704 1.149) 10.055 30.610 ( 6.438 2.420 -3.661) 7.792 30.806 ( 5.157 5.699 3.283) 8.357 30.916 ( 5.481 3.920 -6.512) 9.371 31.290 ( 3.841 1.067 3.516) 5.316 31.380 ( 5.218 3.027 -5.182) 7.952 32.060 ( -6.040 -3.408 10.831) 12.861 32.089 ( -6.709 -2.912 7.492) 10.470 32.219 ( -6.312 -3.502 1.042) 7.293 32.276 ( -9.944 -6.847 -7.513) 14.220 32.525 ( -4.611 -2.208 -4.266) 6.658 32.604 ( -8.797 -5.339 -9.119) 13.749 33.257 ( -2.216 -1.280 0.625) 2.634 33.283 ( -3.063 -1.743 -1.864) 3.987 39.936 ( -2.998 -1.732 11.293) 11.812 40.050 ( -7.520 -4.340 0.617) 8.704 ======================= Grid point 132 (28/32) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 0.000 6.331) 6.331 2.248 ( 0.000 0.000 3.466) 3.466 2.308 ( 0.000 0.000 -0.213) 0.213 2.334 ( 0.000 0.000 -1.058) 1.058 2.608 ( 0.000 0.000 2.702) 2.702 2.641 ( 0.000 0.000 -0.949) 0.949 2.723 ( 0.000 0.000 1.246) 1.246 2.734 ( 0.000 0.000 0.173) 0.173 2.874 ( 0.000 0.000 1.887) 1.887 2.891 ( 0.000 -0.000 -0.540) 0.540 3.078 ( 0.000 -0.000 2.732) 2.732 3.116 ( 0.000 0.000 -1.575) 1.575 3.264 ( 0.000 0.000 2.135) 2.135 3.304 ( 0.000 0.000 -2.051) 2.051 3.460 ( 0.000 0.000 4.483) 4.483 3.495 ( 0.000 0.000 2.114) 2.114 3.697 ( 0.000 0.000 -2.020) 2.020 3.708 ( -0.000 -0.000 -0.916) 0.916 3.823 ( 0.000 0.000 0.483) 0.483 3.836 ( 0.000 0.000 -2.386) 2.386 4.026 ( 0.000 0.000 2.917) 2.917 4.099 ( 0.000 0.000 -0.794) 0.794 4.229 ( 0.000 0.000 5.355) 5.355 4.337 ( 0.000 0.000 -4.194) 4.194 4.632 ( 0.000 0.000 1.495) 1.495 4.701 ( 0.000 -0.000 -5.274) 5.274 5.302 ( 0.000 0.000 2.415) 2.415 5.338 ( -0.000 -0.000 0.111) 0.111 5.586 ( 0.000 -0.000 1.835) 1.835 5.587 ( -0.000 0.000 3.741) 3.741 5.714 ( 0.000 0.000 -1.178) 1.178 5.734 ( 0.000 0.000 -2.313) 2.313 6.305 ( -0.000 0.000 5.119) 5.119 6.343 ( 0.000 0.000 1.298) 1.298 6.567 ( 0.000 0.000 5.871) 5.871 6.711 ( 0.000 0.000 -4.565) 4.565 6.764 ( 0.000 0.000 2.232) 2.232 6.836 ( 0.000 0.000 -4.086) 4.086 7.323 ( 0.000 0.000 -1.018) 1.018 7.351 ( 0.000 -0.000 -2.864) 2.864 7.590 ( -0.000 -0.000 1.499) 1.499 7.606 ( 0.000 0.000 -0.047) 0.047 7.977 ( -0.000 -0.000 11.331) 11.331 8.107 ( 0.000 0.000 -0.440) 0.440 8.339 ( 0.000 -0.000 2.735) 2.735 8.470 ( 0.000 0.000 -6.916) 6.916 8.968 ( 0.000 0.000 -2.207) 2.207 8.999 ( -0.000 -0.000 -3.551) 3.551 9.343 ( 0.000 0.000 -0.091) 0.091 9.392 ( -0.000 -0.000 -2.744) 2.744 9.683 ( 0.000 -0.000 2.008) 2.008 9.746 ( 0.000 0.000 -3.584) 3.584 9.943 ( 0.000 0.000 1.804) 1.804 10.026 ( 0.000 -0.000 -3.942) 3.942 10.591 ( -0.000 -0.000 16.489) 16.489 10.618 ( 0.000 0.000 7.944) 7.944 10.867 ( 0.000 0.000 -14.925) 14.925 10.990 ( 0.000 0.000 -20.973) 20.973 11.528 ( 0.000 0.000 9.398) 9.398 11.552 ( 0.000 -0.000 5.687) 5.687 11.854 ( 0.000 0.000 2.312) 2.312 12.055 ( 0.000 0.000 -16.409) 16.409 12.343 ( 0.000 0.000 0.266) 0.266 12.417 ( 0.000 0.000 -7.599) 7.599 12.580 ( 0.000 0.000 4.677) 4.677 12.689 ( 0.000 0.000 -6.327) 6.327 13.204 ( 0.000 0.000 4.266) 4.266 13.315 ( 0.000 0.000 -7.407) 7.407 13.661 ( 0.000 0.000 4.675) 4.675 13.771 ( 0.000 0.000 -6.315) 6.315 14.211 ( 0.000 0.000 3.976) 3.976 14.236 ( 0.000 -0.000 1.881) 1.881 14.731 ( 0.000 0.000 7.801) 7.801 14.855 ( 0.000 0.000 -4.782) 4.782 15.546 ( 0.000 -0.000 2.182) 2.182 15.548 ( -0.000 0.000 2.636) 2.636 15.773 ( 0.000 0.000 9.121) 9.121 15.961 ( 0.000 0.000 -7.143) 7.143 16.064 ( -0.000 -0.000 12.019) 12.019 16.164 ( 0.000 0.000 1.528) 1.528 16.456 ( 0.000 0.000 12.932) 12.932 16.637 ( 0.000 0.000 -3.300) 3.300 16.728 ( 0.000 -0.000 -3.693) 3.693 16.753 ( 0.000 0.000 -4.545) 4.545 16.925 ( 0.000 -0.000 -2.501) 2.501 16.931 ( -0.000 0.000 -1.317) 1.317 17.231 ( 0.000 0.000 6.439) 6.439 17.298 ( 0.000 0.000 -0.843) 0.843 17.693 ( 0.000 0.000 2.168) 2.168 17.879 ( 0.000 0.000 -11.522) 11.522 18.278 ( 0.000 0.000 6.902) 6.902 18.415 ( 0.000 0.000 -6.365) 6.365 18.685 ( -0.000 0.000 5.996) 5.996 18.751 ( 0.000 0.000 0.894) 0.894 19.160 ( 0.000 0.000 -3.404) 3.404 19.180 ( 0.000 0.000 -3.573) 3.573 19.415 ( 0.000 0.000 1.941) 1.941 19.476 ( 0.000 0.000 -3.010) 3.010 19.669 ( 0.000 0.000 4.971) 4.971 19.831 ( 0.000 0.000 -8.863) 8.863 20.197 ( 0.000 0.000 0.560) 0.560 20.224 ( 0.000 0.000 -1.377) 1.377 20.393 ( 0.000 -0.000 3.458) 3.458 20.471 ( -0.000 0.000 -4.081) 4.081 20.811 ( 0.000 0.000 1.532) 1.532 20.872 ( 0.000 0.000 -3.526) 3.526 21.478 ( -0.000 0.000 4.791) 4.791 21.502 ( 0.000 -0.000 0.759) 0.759 21.856 ( 0.000 0.000 -1.942) 1.942 21.871 ( 0.000 -0.000 -4.785) 4.785 22.939 ( 0.000 0.000 11.020) 11.020 23.134 ( 0.000 0.000 -8.029) 8.029 23.874 ( 0.000 0.000 16.467) 16.467 24.118 ( 0.000 0.000 0.908) 0.908 24.307 ( 0.000 0.000 17.236) 17.236 24.559 ( 0.000 0.000 2.127) 2.127 24.622 ( -0.000 0.000 -5.711) 5.711 24.709 ( 0.000 -0.000 -15.328) 15.328 25.349 ( 0.000 0.000 7.240) 7.240 25.486 ( 0.000 0.000 -5.319) 5.319 25.646 ( 0.000 0.000 2.273) 2.273 25.694 ( 0.000 0.000 -1.022) 1.022 25.747 ( 0.000 0.000 -0.745) 0.745 25.776 ( 0.000 0.000 -4.483) 4.483 25.943 ( 0.000 -0.000 0.330) 0.330 25.948 ( -0.000 0.000 -0.025) 0.025 26.081 ( -0.000 0.000 2.120) 2.120 26.118 ( 0.000 0.000 0.454) 0.454 26.175 ( 0.000 0.000 0.150) 0.150 26.242 ( 0.000 0.000 -4.354) 4.354 26.617 ( 0.000 0.000 3.606) 3.606 26.656 ( 0.000 -0.000 -0.133) 0.133 26.980 ( 0.000 0.000 3.585) 3.585 27.008 ( 0.000 0.000 1.182) 1.182 27.146 ( 0.000 0.000 6.714) 6.714 27.372 ( 0.000 0.000 -13.317) 13.317 27.961 ( 0.000 0.000 1.775) 1.775 27.999 ( 0.000 0.000 2.030) 2.030 28.265 ( 0.000 0.000 -2.855) 2.855 28.321 ( 0.000 0.000 -4.423) 4.423 28.565 ( 0.000 -0.000 4.937) 4.937 28.630 ( 0.000 0.000 -1.392) 1.392 28.802 ( 0.000 0.000 5.061) 5.061 28.942 ( 0.000 0.000 -9.222) 9.222 29.363 ( 0.000 0.000 4.876) 4.876 29.457 ( 0.000 0.000 -2.310) 2.310 29.833 ( 0.000 0.000 5.614) 5.614 30.010 ( 0.000 -0.000 -7.596) 7.596 30.066 ( 0.000 0.000 6.843) 6.843 30.147 ( 0.000 0.000 6.077) 6.077 30.215 ( 0.000 0.000 -3.163) 3.163 30.299 ( 0.000 0.000 -15.680) 15.680 30.691 ( 0.000 0.000 1.629) 1.629 30.722 ( 0.000 0.000 -0.672) 0.672 30.920 ( -0.000 0.000 2.966) 2.966 30.981 ( 0.000 0.000 -2.706) 2.706 31.357 ( 0.000 0.000 4.623) 4.623 31.467 ( 0.000 0.000 -4.634) 4.634 31.970 ( 0.000 0.000 9.920) 9.920 32.050 ( 0.000 0.000 -0.074) 0.074 32.064 ( 0.000 0.000 0.048) 0.048 32.133 ( 0.000 0.000 -3.045) 3.045 32.422 ( 0.000 0.000 -4.312) 4.312 32.483 ( 0.000 0.000 -12.191) 12.191 33.232 ( -0.000 -0.000 -0.210) 0.210 33.237 ( 0.000 0.000 -0.679) 0.679 39.903 ( 0.000 0.000 8.308) 8.308 39.943 ( -0.000 -0.000 4.712) 4.712 ======================= Grid point 137 (29/32) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 3.434 6.520 7.769) 10.708 2.206 ( 1.474 3.596 4.248) 5.758 2.232 ( 2.728 3.739 1.912) 5.008 2.300 ( 1.012 1.649 -0.343) 1.965 2.576 ( 1.433 2.845 5.927) 6.729 2.665 ( 1.359 -0.389 1.293) 1.915 2.710 ( 0.776 0.534 2.118) 2.318 2.781 ( 0.171 3.035 -0.226) 3.048 2.792 ( 2.365 3.695 -1.878) 4.773 2.847 ( 0.867 2.805 -3.101) 4.271 3.076 ( 1.824 3.923 3.379) 5.489 3.141 ( 0.891 0.449 -2.507) 2.698 3.203 ( -0.572 -1.546 3.943) 4.273 3.296 ( -0.299 0.219 -3.366) 3.387 3.416 ( 1.052 2.379 3.973) 4.749 3.521 ( 2.056 2.670 -3.454) 4.825 3.586 ( 2.492 4.414 4.838) 7.007 3.710 ( 3.000 5.735 -4.786) 8.049 3.769 ( 3.484 2.980 1.577) 4.849 3.806 ( 0.345 -1.051 -1.982) 2.270 3.909 ( 2.146 4.595 2.548) 5.676 3.968 ( -0.057 3.578 -1.988) 4.094 4.169 ( 3.133 4.209 12.144) 13.229 4.372 ( 0.231 -0.838 -6.278) 6.338 4.646 ( 1.187 -0.698 4.840) 5.032 4.755 ( -1.623 5.699 -3.835) 7.058 5.050 ( 8.875 4.446 2.929) 10.350 5.111 ( 2.392 10.311 -2.079) 10.787 5.368 ( 4.793 11.154 8.181) 14.640 5.484 ( 8.209 14.694 5.171) 17.608 5.566 ( 3.218 5.381 -6.470) 9.009 5.669 ( 8.801 8.869 -6.910) 14.278 5.887 ( 5.410 12.406 2.256) 13.721 5.991 ( 5.138 11.247 -6.832) 14.127 6.552 ( -1.693 4.484 2.767) 5.534 6.573 ( 4.003 -0.283 2.163) 4.559 6.724 ( 2.756 3.003 1.412) 4.314 6.799 ( 3.030 3.399 -3.815) 5.940 7.167 ( 4.254 5.536 7.745) 10.427 7.332 ( 4.681 7.713 -7.554) 11.767 7.661 ( -5.482 -3.809 9.374) 11.508 7.761 ( -0.823 -3.283 2.744) 4.358 7.900 ( -9.591 -9.916 8.143) 16.019 8.142 ( 1.441 -2.013 -7.722) 8.110 8.354 ( 2.137 2.060 7.328) 7.906 8.541 ( 0.644 -2.962 -9.532) 10.002 8.807 ( 1.942 6.643 -1.667) 7.119 8.952 ( -0.805 0.128 -12.921) 12.947 9.248 ( -2.089 -3.258 4.817) 6.179 9.365 ( -1.317 1.619 -7.683) 7.961 9.851 ( 2.907 -1.072 5.719) 6.505 9.949 ( 1.786 -2.836 -5.021) 6.037 10.165 ( -1.589 -0.987 14.150) 14.273 10.437 ( -10.839 -18.702 -3.669) 21.925 10.678 ( -5.397 -13.233 1.052) 14.330 10.821 ( -12.239 -9.569 -5.768) 16.572 11.072 ( -8.328 -14.516 -0.211) 16.736 11.208 ( -6.254 -3.326 -12.997) 14.802 11.692 ( -0.438 -7.492 6.499) 9.927 11.824 ( -0.057 -15.160 -2.084) 15.303 11.908 ( -4.458 -8.678 8.978) 13.258 12.196 ( -6.819 -10.069 -10.913) 16.339 12.371 ( -7.007 -5.588 0.110) 8.963 12.471 ( -6.096 -5.564 -6.488) 10.498 12.791 ( -7.046 0.091 6.945) 9.894 12.978 ( -8.753 -1.210 -9.295) 12.825 13.082 ( 4.351 -6.775 -1.211) 8.143 13.150 ( 5.259 -7.025 -5.202) 10.201 13.708 ( -0.778 -0.444 3.398) 3.514 13.788 ( 0.479 -0.729 -4.416) 4.501 14.264 ( -3.111 -4.037 4.541) 6.826 14.318 ( -2.922 -4.207 -0.480) 5.145 14.722 ( -0.678 1.841 9.637) 9.835 14.853 ( -0.412 3.874 -3.197) 5.039 15.355 ( 7.718 6.317 2.560) 10.297 15.424 ( 4.035 8.642 -3.646) 10.210 15.680 ( 3.587 5.177 11.068) 12.734 15.771 ( 1.464 -2.811 0.910) 3.298 16.163 ( -2.185 2.450 7.436) 8.129 16.352 ( -0.498 -2.345 -7.511) 7.884 16.489 ( -4.929 0.715 7.832) 9.282 16.621 ( 2.574 -1.645 -2.830) 4.164 16.708 ( -0.563 -0.927 4.099) 4.240 16.803 ( -3.022 0.223 -3.214) 4.417 16.992 ( -1.913 -3.233 5.365) 6.549 17.067 ( -2.022 -5.422 -3.122) 6.575 17.146 ( 3.520 -3.573 5.081) 7.139 17.329 ( 1.804 -0.905 -7.959) 8.211 17.711 ( 3.270 6.407 10.573) 12.788 17.949 ( 1.157 11.311 -5.739) 12.736 18.119 ( -2.365 5.862 0.622) 6.351 18.177 ( -0.767 -2.522 -4.300) 5.044 18.516 ( 8.656 10.102 4.604) 14.077 18.631 ( 8.199 8.515 -4.333) 12.590 18.929 ( 10.161 6.681 7.214) 14.140 19.130 ( 3.084 15.056 -8.599) 17.610 19.220 ( 5.178 8.613 5.248) 11.338 19.325 ( 1.439 3.216 -4.926) 6.057 19.530 ( 2.376 7.727 -0.906) 8.135 19.557 ( 10.310 15.029 -3.709) 18.599 19.910 ( 3.673 7.145 4.299) 9.112 20.047 ( -0.523 -0.221 -8.286) 8.305 20.537 ( 2.707 0.312 1.566) 3.143 20.555 ( 3.476 4.482 -0.884) 5.741 20.649 ( 0.230 5.608 1.137) 5.727 20.740 ( 1.755 2.311 -7.580) 8.116 21.700 ( -5.807 -10.141 12.898) 17.404 21.929 ( -5.426 -12.437 -8.529) 16.027 21.984 ( -8.168 -11.707 0.427) 14.282 22.019 ( -5.670 -9.225 -2.993) 11.234 23.237 ( -8.374 -13.854 7.723) 17.936 23.357 ( -6.260 -11.481 -2.618) 13.336 23.915 ( -0.797 -1.450 12.975) 13.080 24.176 ( 0.846 1.981 -9.571) 9.810 24.475 ( -5.086 -8.437 18.021) 20.538 24.556 ( -4.332 -8.661 17.341) 19.862 24.790 ( -5.446 -10.005 -11.565) 16.234 24.932 ( -6.378 -9.187 -15.216) 18.883 25.392 ( -2.031 -4.571 5.032) 7.095 25.481 ( -1.539 -2.626 -3.762) 4.839 25.636 ( 0.253 1.552 1.360) 2.079 25.645 ( 0.763 -0.026 0.847) 1.140 25.698 ( 1.170 1.803 0.800) 2.293 25.752 ( 1.435 0.979 -3.682) 4.071 25.901 ( 1.129 3.735 2.500) 4.634 25.970 ( -0.284 2.906 -3.681) 4.699 25.995 ( 2.331 2.234 0.375) 3.251 26.029 ( 1.508 2.270 -2.032) 3.400 26.191 ( -0.357 -1.289 5.156) 5.327 26.301 ( -0.726 -1.733 -5.423) 5.739 26.666 ( -1.690 -2.775 2.680) 4.212 26.687 ( -1.115 -2.068 0.345) 2.374 26.982 ( 0.234 0.122 1.050) 1.083 27.002 ( 0.952 2.008 -0.633) 2.311 27.226 ( -3.155 -4.980 10.064) 11.663 27.483 ( -1.606 -5.008 -13.298) 14.300 27.831 ( -0.735 2.316 3.870) 4.569 27.945 ( 3.522 2.707 -6.129) 7.569 28.154 ( 0.908 4.589 2.574) 5.339 28.230 ( 1.613 7.059 -4.013) 8.279 28.476 ( 5.829 5.972 5.053) 9.756 28.578 ( 5.059 4.279 -4.362) 7.933 28.852 ( -0.953 -2.047 10.991) 11.220 29.067 ( -3.997 -6.082 -9.618) 12.062 29.398 ( -2.595 5.173 5.165) 7.757 29.464 ( 5.752 3.899 -0.909) 7.008 29.598 ( 5.305 10.174 2.169) 11.677 29.664 ( 4.203 12.877 -2.518) 13.778 29.856 ( 7.705 7.777 7.104) 13.051 30.067 ( 9.043 8.425 -10.311) 16.095 30.177 ( 2.656 5.821 -0.986) 6.474 30.202 ( 4.736 8.050 -3.042) 9.822 30.513 ( 1.378 7.852 0.582) 7.993 30.571 ( 1.629 5.055 -4.696) 7.089 30.766 ( 5.660 6.088 2.527) 8.688 30.881 ( 5.119 8.036 -7.477) 12.111 31.262 ( 0.356 1.869 3.178) 3.704 31.340 ( 2.179 3.710 -4.385) 6.144 32.096 ( -3.892 -6.991 10.908) 13.528 32.137 ( -3.884 -7.452 9.310) 12.541 32.257 ( -4.204 -7.316 0.838) 8.479 32.351 ( -5.823 -9.055 -8.679) 13.829 32.546 ( -2.270 -4.385 -1.736) 5.234 32.663 ( -5.404 -9.178 -9.334) 14.162 33.273 ( -1.583 -2.743 0.741) 3.253 33.304 ( -1.994 -3.486 -2.209) 4.583 39.957 ( -2.171 -3.758 12.486) 13.219 40.103 ( -5.017 -8.690 -1.332) 10.122 ======================= Grid point 138 (30/32) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.767 1.421 5.080) 5.331 2.264 ( 0.172 2.962 2.691) 4.005 2.302 ( 1.455 1.187 -0.284) 1.899 2.331 ( 0.811 1.172 0.166) 1.435 2.595 ( 0.382 -0.081 3.556) 3.577 2.654 ( -1.065 -1.599 -1.947) 2.736 2.721 ( 0.215 0.163 3.016) 3.028 2.763 ( -1.428 -0.296 -0.902) 1.715 2.891 ( 1.025 4.791 1.515) 5.128 2.919 ( 0.625 4.334 0.048) 4.379 3.101 ( -1.969 0.890 2.901) 3.617 3.149 ( -0.115 3.119 -1.339) 3.396 3.238 ( 2.319 -1.451 2.106) 3.453 3.292 ( -0.217 0.937 -1.712) 1.963 3.437 ( 0.811 -1.294 5.206) 5.426 3.556 ( -1.640 2.567 -3.580) 4.701 3.645 ( 1.727 0.577 4.738) 5.076 3.750 ( -0.402 2.668 -2.972) 4.014 3.843 ( 0.270 3.493 1.955) 4.012 3.899 ( -0.023 4.696 -4.133) 6.256 3.991 ( 2.116 -0.168 1.414) 2.550 4.049 ( 5.361 3.718 -2.693) 7.058 4.227 ( 0.382 -0.219 6.276) 6.291 4.337 ( -1.275 -3.348 -3.917) 5.308 4.639 ( -0.710 1.118 4.560) 4.749 4.755 ( -2.335 3.838 -5.718) 7.272 5.304 ( 6.834 6.213 1.395) 9.341 5.316 ( 4.656 3.287 0.052) 5.700 5.445 ( 4.106 1.211 7.291) 8.455 5.564 ( 0.584 -0.716 -3.971) 4.077 5.814 ( -0.148 16.932 5.646) 17.849 5.954 ( -3.603 15.744 -6.481) 17.403 6.161 ( 13.441 7.371 7.033) 16.866 6.300 ( 10.857 6.153 -6.017) 13.854 6.556 ( -1.091 -0.261 6.638) 6.732 6.648 ( 2.047 -0.433 3.317) 3.922 6.772 ( 0.316 -3.737 -2.594) 4.559 6.857 ( 0.659 0.575 -3.818) 3.917 7.248 ( 5.912 -11.514 5.722) 14.152 7.336 ( -0.230 -6.793 -4.867) 8.359 7.446 ( -6.298 -1.862 0.988) 6.641 7.546 ( -3.212 -9.816 -6.278) 12.087 8.012 ( 7.744 14.635 13.513) 21.372 8.211 ( -0.491 4.557 -5.149) 6.893 8.334 ( -2.176 0.263 10.262) 10.494 8.577 ( -2.398 0.688 -6.844) 7.285 8.864 ( 4.663 0.953 -1.386) 4.957 8.970 ( -0.372 1.450 -8.212) 8.347 9.261 ( 5.153 0.483 4.210) 6.672 9.398 ( 0.331 1.079 -8.330) 8.406 9.768 ( -8.759 -12.673 7.641) 17.196 9.892 ( -3.670 -8.552 -1.676) 9.456 9.959 ( -6.553 -0.472 0.282) 6.576 10.029 ( -7.173 -5.870 -3.198) 9.805 10.560 ( 1.103 3.312 8.013) 8.740 10.664 ( -2.305 -5.702 3.530) 7.092 10.880 ( -3.483 7.323 -4.929) 9.489 11.069 ( -6.813 1.837 -18.109) 19.435 11.536 ( -3.287 -13.459 5.310) 14.837 11.656 ( -5.548 -11.715 -1.851) 13.094 11.816 ( 1.375 -0.998 5.808) 6.051 12.014 ( -1.335 -3.337 -11.468) 12.018 12.217 ( 0.839 -4.811 3.982) 6.301 12.362 ( -0.333 -0.992 -8.930) 8.992 12.654 ( -5.828 -1.300 4.396) 7.414 12.774 ( -6.639 0.978 -6.627) 9.432 13.095 ( 4.764 -11.229 0.603) 12.213 13.161 ( 5.295 -11.171 -5.102) 13.374 13.729 ( -1.330 4.792 4.170) 6.490 13.835 ( -0.393 4.794 -6.012) 7.699 14.183 ( -0.112 -2.473 4.207) 4.881 14.228 ( -1.459 -2.344 -0.038) 2.761 14.748 ( 0.372 2.214 7.842) 8.157 14.868 ( -1.062 3.049 -4.381) 5.442 15.361 ( 2.679 -9.170 10.723) 14.361 15.552 ( 2.862 -2.494 -6.797) 7.785 15.815 ( 1.036 4.353 9.247) 10.273 15.959 ( 8.411 9.045 -2.090) 12.527 16.125 ( -2.263 3.330 9.419) 10.244 16.226 ( -8.172 0.196 3.544) 8.910 16.460 ( -1.724 0.501 8.003) 8.201 16.603 ( 3.347 -2.367 -4.877) 6.371 16.709 ( 1.047 -0.436 -1.327) 1.746 16.769 ( -3.062 -0.461 -3.086) 4.372 16.959 ( -2.822 3.457 2.592) 5.161 17.000 ( -1.641 -0.583 -1.867) 2.553 17.169 ( 2.420 -4.594 4.008) 6.559 17.332 ( 0.086 -2.203 -7.187) 7.517 17.765 ( -3.674 6.728 5.272) 9.304 17.952 ( -4.266 2.293 -9.663) 10.808 18.257 ( 7.379 6.577 1.773) 10.042 18.293 ( 5.643 8.312 -2.978) 10.478 18.731 ( 1.627 4.314 10.904) 11.838 18.821 ( 1.896 3.432 1.959) 4.383 19.036 ( 4.119 -11.153 -1.561) 11.991 19.152 ( -1.066 0.613 -9.385) 9.465 19.333 ( 3.313 -1.911 -0.978) 3.948 19.375 ( 4.008 -3.328 -4.697) 7.014 19.775 ( 1.183 17.364 8.276) 19.272 19.955 ( 1.204 10.534 -8.882) 13.831 20.116 ( 10.310 11.302 2.638) 15.525 20.163 ( 9.713 12.670 -1.903) 16.078 20.474 ( -5.062 -2.758 2.331) 6.218 20.541 ( -5.422 -3.066 -2.622) 6.758 20.739 ( 3.731 -3.333 -0.125) 5.005 20.798 ( 2.250 -2.411 -4.835) 5.853 21.510 ( -5.331 -2.052 10.934) 12.336 21.669 ( -12.185 -1.780 -3.268) 12.741 21.780 ( 1.459 -9.152 -0.834) 9.305 21.856 ( -0.899 -5.176 -5.968) 7.951 22.971 ( -5.742 -5.672 7.527) 11.036 23.117 ( -3.776 -9.000 -6.574) 11.768 23.906 ( -1.327 1.787 19.258) 19.386 24.180 ( -3.311 2.769 3.452) 5.526 24.334 ( -4.108 -0.214 10.398) 11.182 24.430 ( 4.362 -9.463 10.145) 14.543 24.637 ( 0.019 -7.141 -14.830) 16.460 24.685 ( -6.229 -7.966 -9.682) 14.000 25.342 ( -0.848 -1.010 3.678) 3.907 25.453 ( 1.313 -2.844 -6.050) 6.812 25.651 ( -0.058 0.318 1.574) 1.607 25.678 ( 2.006 0.617 -0.599) 2.183 25.726 ( 0.162 0.773 1.123) 1.372 25.775 ( 0.451 -1.095 -3.251) 3.460 25.956 ( 0.321 3.308 1.613) 3.694 25.990 ( -1.259 3.731 -1.478) 4.206 26.050 ( 2.354 0.476 2.454) 3.434 26.102 ( 2.298 0.969 -2.644) 3.635 26.174 ( -0.238 -0.235 3.180) 3.198 26.263 ( -1.513 -1.326 -4.832) 5.234 26.605 ( -0.814 -2.328 3.398) 4.199 26.639 ( -0.368 -2.871 -0.037) 2.894 26.971 ( -0.223 -0.381 4.512) 4.534 27.037 ( -0.277 1.996 -1.975) 2.821 27.151 ( -1.169 -0.784 9.534) 9.637 27.415 ( -2.643 -0.318 -14.974) 15.209 27.879 ( 3.500 -0.225 6.934) 7.771 28.057 ( 1.574 3.804 -9.257) 10.131 28.188 ( 1.745 0.862 5.446) 5.783 28.335 ( 1.869 4.716 -6.922) 8.582 28.578 ( 0.393 -0.919 5.494) 5.584 28.675 ( 0.220 0.889 -2.888) 3.030 28.875 ( 0.208 6.641 3.541) 7.529 28.954 ( -4.713 0.399 -2.972) 5.586 29.330 ( 0.873 -4.146 6.756) 7.975 29.453 ( -1.561 -0.764 -4.778) 5.084 29.807 ( 5.974 -0.007 4.564) 7.518 29.852 ( 4.022 0.636 2.130) 4.595 30.029 ( 2.517 4.617 -0.641) 5.298 30.228 ( 0.662 1.759 -13.331) 13.462 30.339 ( 2.466 11.551 0.604) 11.827 30.377 ( -1.705 10.606 -2.236) 10.972 30.616 ( 5.150 1.204 1.860) 5.606 30.677 ( 3.728 2.861 -2.879) 5.511 30.951 ( 2.897 7.454 5.180) 9.529 31.070 ( 0.317 9.268 -5.398) 10.730 31.296 ( 2.879 -0.703 5.993) 6.685 31.430 ( 3.551 1.521 -6.136) 7.251 31.970 ( -1.269 -3.998 8.166) 9.180 32.019 ( -0.574 -4.078 8.199) 9.176 32.068 ( -6.178 -9.789 -3.112) 11.986 32.181 ( -3.088 0.695 -3.706) 4.873 32.428 ( -3.874 -7.049 -7.407) 10.935 32.460 ( -2.647 -6.659 -9.636) 12.009 33.230 ( -0.500 -0.993 0.067) 1.113 33.241 ( -1.170 -1.722 -1.064) 2.338 39.898 ( -0.540 -1.353 8.853) 8.972 39.950 ( -2.811 -4.091 4.075) 6.422 ======================= Grid point 139 (31/32) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -1.292 -0.088 5.209) 5.368 2.269 ( -2.540 1.728 3.626) 4.752 2.296 ( -1.909 -1.029 -0.914) 2.353 2.333 ( -1.439 -0.136 -0.277) 1.471 2.599 ( 0.194 -0.562 3.492) 3.542 2.647 ( 1.249 0.490 -1.122) 1.749 2.714 ( -1.035 0.135 2.841) 3.027 2.761 ( 0.679 1.197 -1.296) 1.890 2.903 ( -3.496 0.714 0.481) 3.601 2.917 ( -3.335 1.790 -0.091) 3.786 3.117 ( -0.029 2.415 2.168) 3.245 3.155 ( -2.596 3.015 -1.363) 4.206 3.208 ( -0.543 -3.781 5.353) 6.576 3.307 ( -0.083 0.110 -1.734) 1.739 3.436 ( 0.755 -1.401 3.468) 3.816 3.545 ( -1.939 2.799 -2.977) 4.523 3.652 ( -1.164 -1.042 4.272) 4.548 3.768 ( -0.544 1.202 -2.923) 3.207 3.830 ( -3.920 1.500 0.595) 4.240 3.865 ( -6.497 2.638 -3.810) 7.981 3.995 ( -1.279 -2.173 3.593) 4.390 4.083 ( -3.916 -2.597 -2.441) 5.295 4.217 ( -0.514 -0.162 4.850) 4.880 4.322 ( 2.990 -0.236 -4.606) 5.496 4.646 ( -0.635 1.224 5.797) 5.959 4.779 ( 0.164 3.386 -6.825) 7.621 5.224 ( -9.676 -1.455 6.363) 11.671 5.320 ( -7.330 -2.371 -2.869) 8.221 5.504 ( 0.634 -4.169 5.351) 6.813 5.588 ( 0.850 -1.984 -2.257) 3.122 5.841 ( -13.094 7.718 1.188) 15.246 5.878 ( -17.655 10.546 -1.982) 20.660 6.212 ( -12.199 -7.259 4.097) 14.775 6.303 ( -9.320 -5.444 -3.368) 11.307 6.541 ( 0.937 2.219 8.582) 8.914 6.673 ( -0.755 -4.090 3.071) 5.170 6.736 ( 2.644 -0.422 -3.664) 4.538 6.840 ( -1.871 -0.611 -7.296) 7.557 7.191 ( 4.331 -6.704 5.950) 9.955 7.279 ( 4.120 -0.085 -3.080) 5.144 7.541 ( 10.504 -1.124 1.135) 10.625 7.618 ( 13.665 -5.372 -5.688) 15.746 8.005 ( -17.896 1.152 13.002) 22.150 8.177 ( -4.628 3.819 -2.393) 6.460 8.372 ( -0.348 0.530 4.913) 4.954 8.512 ( -1.627 4.287 -4.736) 6.592 8.905 ( -2.044 -4.612 -1.083) 5.159 8.986 ( 0.056 1.139 -6.978) 7.071 9.283 ( -3.819 -6.354 2.304) 7.763 9.400 ( 4.491 0.544 -6.785) 8.155 9.727 ( 3.412 6.608 1.375) 7.563 9.764 ( 8.131 0.798 -0.376) 8.179 9.939 ( 6.179 5.155 6.629) 10.426 10.129 ( 11.217 -0.605 -7.429) 13.467 10.565 ( -0.900 -0.190 9.148) 9.194 10.696 ( 6.226 0.346 3.798) 7.301 10.940 ( -2.266 3.492 -4.624) 6.222 11.107 ( 4.359 9.057 -14.959) 18.022 11.453 ( 4.224 0.326 0.856) 4.322 11.530 ( 9.987 -3.967 -4.874) 11.800 11.846 ( 1.805 -1.699 8.277) 8.640 12.045 ( 6.366 -2.175 -8.649) 10.957 12.271 ( 5.070 -1.688 0.836) 5.408 12.369 ( 2.332 -0.698 -5.550) 6.060 12.693 ( 9.968 3.639 3.971) 11.330 12.817 ( 4.016 7.970 -5.965) 10.734 13.028 ( 3.149 -10.772 0.657) 11.242 13.111 ( 2.119 -9.726 -6.500) 11.888 13.727 ( -3.294 3.486 3.590) 5.992 13.823 ( -4.499 2.838 -5.547) 7.685 14.200 ( 3.149 -1.471 4.103) 5.377 14.243 ( 3.560 -0.461 0.602) 3.640 14.762 ( -1.066 0.561 7.991) 8.081 14.893 ( -0.367 2.097 -5.239) 5.655 15.345 ( 5.562 -7.173 10.539) 13.909 15.523 ( -0.823 -2.664 -5.664) 6.313 15.784 ( -7.359 2.475 8.910) 11.818 15.934 ( -10.908 -0.836 -1.765) 11.082 16.145 ( 1.119 2.157 9.116) 9.434 16.333 ( 4.649 7.199 -1.390) 8.682 16.419 ( 2.260 -1.264 10.177) 10.501 16.595 ( -2.317 -3.521 1.232) 4.392 16.708 ( 1.787 -0.315 -1.391) 2.287 16.815 ( 3.561 0.032 -5.730) 6.747 16.937 ( -0.590 3.268 -0.237) 3.329 16.985 ( -2.662 4.650 -1.952) 5.702 17.136 ( 0.039 -4.214 6.013) 7.343 17.308 ( 0.150 -0.454 -7.154) 7.170 17.761 ( -3.765 5.609 5.890) 8.963 17.973 ( 2.725 3.886 -12.254) 13.141 18.295 ( -10.130 -0.674 3.317) 10.681 18.361 ( -4.086 -4.522 -1.956) 6.401 18.692 ( -6.486 0.691 6.733) 9.374 18.788 ( -7.512 2.159 1.198) 7.907 18.947 ( 3.628 -6.146 4.836) 8.621 19.209 ( 2.543 -0.401 -12.164) 12.434 19.338 ( 0.999 -4.253 -0.352) 4.383 19.371 ( 0.602 -5.443 -4.600) 7.152 19.821 ( -12.570 7.245 4.389) 15.158 19.911 ( -12.474 3.530 -3.961) 13.556 20.126 ( -14.581 -3.432 3.825) 15.460 20.204 ( -15.668 -3.116 -3.754) 16.410 20.418 ( 5.439 4.108 4.735) 8.299 20.568 ( 4.084 4.374 -9.644) 11.350 20.712 ( 3.546 -5.492 5.315) 8.425 20.823 ( -0.137 -3.497 -5.872) 6.836 21.525 ( 4.346 2.744 8.803) 10.193 21.617 ( 6.972 8.106 -0.609) 10.709 21.808 ( 7.376 -2.567 -2.200) 8.114 21.862 ( 5.526 -2.566 -5.197) 8.008 22.974 ( 7.993 2.103 7.206) 10.966 23.114 ( 9.502 -1.216 -6.247) 11.436 23.907 ( -0.923 2.045 19.177) 19.307 24.198 ( -1.131 5.236 -1.647) 5.604 24.294 ( 4.099 -0.125 19.887) 20.306 24.484 ( 2.079 -7.846 1.653) 8.283 24.562 ( 9.505 0.544 -6.026) 11.268 24.732 ( 9.589 -0.913 -14.656) 17.538 25.337 ( 0.855 0.309 4.062) 4.162 25.452 ( 1.724 -2.480 -5.963) 6.684 25.648 ( -0.516 0.231 1.694) 1.786 25.679 ( -1.495 -1.043 -0.595) 1.918 25.741 ( -0.193 -1.228 -0.685) 1.420 25.753 ( -0.445 0.535 -1.740) 1.874 25.966 ( -2.293 1.364 1.627) 3.125 26.001 ( -1.474 2.318 -1.050) 2.941 26.060 ( -2.063 -1.902 0.782) 2.913 26.091 ( -1.659 -1.364 -1.050) 2.391 26.170 ( -0.308 0.064 2.752) 2.770 26.257 ( 1.685 0.891 -4.709) 5.080 26.608 ( 2.497 -0.471 3.018) 3.945 26.637 ( 2.583 -1.103 0.251) 2.820 26.973 ( 0.456 -0.013 4.549) 4.571 27.039 ( -1.400 1.115 -1.550) 2.368 27.152 ( 1.367 0.630 8.754) 8.882 27.403 ( 0.722 2.330 -14.175) 14.384 27.896 ( -0.105 -3.775 5.336) 6.537 28.032 ( -5.421 1.375 -5.332) 7.727 28.223 ( 0.121 -2.157 2.463) 3.276 28.350 ( -3.835 0.416 -7.030) 8.019 28.561 ( -0.905 -0.057 5.833) 5.903 28.660 ( -3.153 0.958 -3.397) 4.733 28.839 ( -4.998 3.414 5.821) 8.397 28.950 ( 0.942 3.902 -5.456) 6.773 29.387 ( 7.431 -4.401 6.088) 10.567 29.478 ( 1.252 2.282 -2.887) 3.887 29.775 ( -3.258 -6.138 5.023) 8.575 29.861 ( -1.871 -3.695 1.813) 4.521 30.013 ( -7.387 1.313 -1.365) 7.626 30.205 ( -5.818 2.881 -13.141) 14.657 30.333 ( -9.225 2.135 1.200) 9.545 30.375 ( -9.046 5.789 -2.612) 11.053 30.646 ( -0.612 -4.308 1.186) 4.510 30.698 ( -3.230 -2.018 -3.183) 4.963 30.937 ( -10.761 1.774 5.333) 12.140 31.033 ( -7.440 4.510 -3.026) 9.211 31.332 ( -0.688 -2.777 2.956) 4.114 31.430 ( -3.208 -2.446 -5.341) 6.694 31.965 ( 4.147 -1.608 6.511) 7.885 31.990 ( 4.551 0.872 8.430) 9.620 32.080 ( 9.809 -0.391 -1.156) 9.885 32.200 ( 1.706 2.353 -4.638) 5.474 32.410 ( 7.874 -0.164 -6.268) 10.066 32.472 ( 7.380 -0.996 -10.122) 12.567 33.230 ( 1.089 -0.076 0.007) 1.092 33.241 ( 2.077 0.174 -1.006) 2.315 39.898 ( 1.442 -0.211 8.849) 8.968 39.950 ( 4.949 0.390 4.078) 6.425 ======================= Grid point 144 (32/32) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -0.000 -0.000 4.423) 4.423 2.298 ( -0.000 -0.000 -3.586) 3.586 2.327 ( -0.000 0.000 3.316) 3.316 2.341 ( -0.000 -0.000 1.927) 1.927 2.594 ( -0.000 -0.000 1.934) 1.934 2.625 ( 0.000 -0.000 -1.396) 1.396 2.726 ( 0.000 -0.000 2.420) 2.420 2.756 ( -0.000 -0.000 -0.180) 0.180 2.953 ( 0.000 0.000 0.323) 0.323 2.954 ( -0.000 -0.000 -0.303) 0.303 3.140 ( -0.000 -0.000 8.207) 8.207 3.187 ( 0.000 -0.000 2.579) 2.579 3.233 ( -0.000 -0.000 -1.940) 1.940 3.292 ( 0.000 -0.000 -5.652) 5.652 3.412 ( -0.000 -0.000 6.994) 6.994 3.583 ( -0.000 -0.000 -8.569) 8.569 3.662 ( -0.000 -0.000 9.495) 9.495 3.782 ( -0.000 -0.000 -1.273) 1.273 3.896 ( -0.000 -0.000 0.305) 0.305 3.975 ( -0.000 -0.000 2.793) 2.793 3.988 ( -0.000 -0.000 -4.793) 4.793 4.095 ( -0.000 -0.000 -4.904) 4.904 4.208 ( -0.000 -0.000 3.527) 3.527 4.284 ( -0.000 -0.000 -3.850) 3.850 4.673 ( -0.000 -0.000 6.667) 6.667 4.796 ( 0.000 -0.000 -4.592) 4.592 5.387 ( -0.000 -0.000 3.812) 3.812 5.429 ( -0.000 -0.000 3.808) 3.808 5.449 ( 0.000 0.000 -2.345) 2.345 5.486 ( -0.000 0.000 -1.322) 1.322 6.160 ( -0.000 0.000 5.299) 5.299 6.177 ( 0.000 -0.000 9.162) 9.162 6.257 ( 0.000 0.000 -4.256) 4.256 6.383 ( -0.000 -0.000 -10.336) 10.336 6.464 ( -0.000 -0.000 14.761) 14.761 6.528 ( -0.000 -0.000 5.840) 5.840 6.741 ( 0.000 -0.000 -7.744) 7.744 6.797 ( -0.000 0.000 -11.108) 11.108 7.087 ( 0.000 -0.000 10.180) 10.180 7.276 ( 0.000 0.000 -8.600) 8.600 7.417 ( -0.000 -0.000 -0.732) 0.732 7.459 ( -0.000 -0.000 -5.172) 5.172 8.204 ( -0.000 0.000 8.091) 8.091 8.292 ( 0.000 0.000 19.744) 19.744 8.317 ( -0.000 -0.000 -2.729) 2.729 8.620 ( 0.000 0.000 -10.184) 10.184 8.873 ( -0.000 -0.000 -2.636) 2.636 8.909 ( -0.000 -0.000 -5.727) 5.727 9.347 ( -0.000 0.000 -1.071) 1.071 9.360 ( 0.000 -0.000 -0.822) 0.822 9.512 ( -0.000 -0.000 15.274) 15.274 9.904 ( 0.000 0.000 -22.689) 22.689 9.938 ( 0.000 -0.000 4.351) 4.351 10.006 ( -0.000 -0.000 -1.583) 1.583 10.548 ( -0.000 -0.000 8.109) 8.109 10.610 ( -0.000 -0.000 5.899) 5.899 11.106 ( -0.000 0.000 4.687) 4.687 11.265 ( 0.000 0.000 -9.606) 9.606 11.268 ( -0.000 -0.000 -6.330) 6.330 11.290 ( -0.000 -0.000 -13.631) 13.631 11.788 ( -0.000 -0.000 6.486) 6.486 11.967 ( 0.000 -0.000 -10.958) 10.958 12.395 ( 0.000 0.000 0.925) 0.925 12.417 ( -0.000 -0.000 15.329) 15.329 12.418 ( 0.000 0.000 -1.662) 1.662 12.730 ( -0.000 -0.000 -15.240) 15.240 12.975 ( -0.000 -0.000 0.495) 0.495 13.035 ( -0.000 -0.000 -5.024) 5.024 13.792 ( -0.000 -0.000 4.066) 4.066 13.901 ( -0.000 -0.000 -6.239) 6.239 14.144 ( -0.000 -0.000 4.111) 4.111 14.199 ( -0.000 -0.000 -0.483) 0.483 14.781 ( -0.000 -0.000 6.526) 6.526 14.918 ( -0.000 -0.000 -7.080) 7.080 15.233 ( -0.000 -0.000 18.004) 18.004 15.497 ( -0.000 -0.000 -5.638) 5.638 15.884 ( -0.000 -0.000 5.429) 5.429 16.012 ( 0.000 -0.000 -3.581) 3.581 16.234 ( -0.000 -0.000 7.483) 7.483 16.302 ( -0.000 -0.000 -0.313) 0.313 16.352 ( 0.000 -0.000 18.240) 18.240 16.646 ( -0.000 -0.000 2.894) 2.894 16.664 ( 0.000 -0.000 -9.568) 9.568 16.763 ( 0.000 -0.000 -4.503) 4.503 16.970 ( -0.000 -0.000 3.848) 3.848 17.075 ( 0.000 0.000 7.608) 7.608 17.088 ( -0.000 -0.000 -6.136) 6.136 17.289 ( -0.000 -0.000 -8.156) 8.156 17.861 ( -0.000 -0.000 -1.109) 1.109 17.923 ( -0.000 -0.000 -7.029) 7.029 18.460 ( -0.000 -0.000 1.198) 1.198 18.524 ( -0.000 -0.000 -6.514) 6.514 18.607 ( 0.000 -0.000 16.401) 16.401 18.763 ( -0.000 0.000 3.828) 3.828 18.958 ( -0.000 -0.000 0.476) 0.476 19.211 ( -0.000 -0.000 -16.983) 16.983 19.282 ( -0.000 -0.000 -0.198) 0.198 19.303 ( 0.000 -0.000 -1.848) 1.848 20.018 ( -0.000 0.000 2.148) 2.148 20.047 ( -0.000 -0.000 -0.676) 0.676 20.315 ( -0.000 0.000 8.935) 8.935 20.344 ( 0.000 -0.000 5.998) 5.998 20.453 ( -0.000 -0.000 -3.490) 3.490 20.546 ( -0.000 -0.000 -13.629) 13.629 20.575 ( -0.000 -0.000 5.351) 5.351 20.735 ( -0.000 -0.000 -9.322) 9.322 21.515 ( -0.000 -0.000 14.588) 14.588 21.648 ( 0.000 -0.000 1.826) 1.826 21.699 ( -0.000 -0.000 -3.018) 3.018 21.763 ( -0.000 -0.000 -10.220) 10.220 22.924 ( 0.000 -0.000 2.429) 2.429 22.990 ( -0.000 -0.000 -3.886) 3.886 23.948 ( -0.000 0.000 24.650) 24.650 24.226 ( -0.000 -0.000 18.883) 18.883 24.274 ( -0.000 -0.000 8.119) 8.119 24.409 ( -0.000 -0.000 3.695) 3.695 24.469 ( -0.000 0.000 -26.919) 26.919 24.585 ( -0.000 -0.000 -5.096) 5.096 25.353 ( -0.000 -0.000 -2.556) 2.556 25.402 ( -0.000 0.000 -5.687) 5.687 25.658 ( -0.000 -0.000 1.565) 1.565 25.678 ( -0.000 -0.000 -0.278) 0.278 25.731 ( -0.000 -0.000 1.684) 1.684 25.768 ( -0.000 -0.000 -1.894) 1.894 26.013 ( 0.000 -0.000 1.575) 1.575 26.034 ( -0.000 0.000 0.687) 0.687 26.049 ( -0.000 -0.000 2.654) 2.654 26.105 ( -0.000 -0.000 -2.718) 2.718 26.177 ( -0.000 -0.000 1.240) 1.240 26.245 ( -0.000 -0.000 -4.320) 4.320 26.580 ( -0.000 -0.000 1.863) 1.863 26.594 ( 0.000 0.000 1.168) 1.168 26.970 ( -0.000 -0.000 5.859) 5.859 27.063 ( -0.000 -0.000 -3.305) 3.305 27.146 ( -0.000 -0.000 9.797) 9.797 27.413 ( -0.000 -0.000 -15.472) 15.472 27.874 ( -0.000 -0.000 8.427) 8.427 28.096 ( -0.000 -0.000 -13.438) 13.438 28.225 ( -0.000 -0.000 8.307) 8.307 28.397 ( -0.000 -0.000 -5.718) 5.718 28.564 ( -0.000 -0.000 -0.313) 0.313 28.607 ( 0.000 -0.000 -1.749) 1.749 29.007 ( -0.000 -0.000 2.853) 2.853 29.075 ( -0.000 -0.000 -2.828) 2.828 29.172 ( -0.000 -0.000 15.038) 15.038 29.422 ( -0.000 -0.000 -9.236) 9.236 29.784 ( -0.000 -0.000 6.550) 6.550 29.866 ( -0.000 -0.000 5.181) 5.181 30.135 ( -0.000 -0.000 -9.146) 9.146 30.240 ( -0.000 -0.000 -13.189) 13.189 30.522 ( 0.000 0.000 0.269) 0.269 30.532 ( -0.000 -0.000 8.754) 8.754 30.563 ( -0.000 -0.000 -3.564) 3.564 30.690 ( -0.000 -0.000 -6.167) 6.167 31.080 ( -0.000 -0.000 7.534) 7.534 31.217 ( 0.000 0.000 -5.503) 5.503 31.234 ( -0.000 -0.000 11.288) 11.288 31.467 ( -0.000 -0.000 -11.770) 11.770 31.909 ( -0.000 -0.000 1.757) 1.757 31.918 ( 0.000 -0.000 1.650) 1.650 31.984 ( 0.000 -0.000 14.106) 14.106 32.251 ( -0.000 -0.000 0.399) 0.399 32.293 ( -0.000 0.000 -16.590) 16.590 32.362 ( 0.000 -0.000 -9.353) 9.353 33.218 ( -0.000 -0.000 -0.377) 0.377 33.222 ( -0.000 -0.000 -0.630) 0.630 39.891 ( -0.000 -0.000 6.728) 6.728 39.894 ( 0.000 0.000 6.505) 6.505 =================== 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 3/42336 10.0 1049.921 1049.921 989.493 -0.000 -0.000 -0.000 3/42336 20.0 188.450 188.450 215.868 -0.000 -0.000 -0.000 3/42336 30.0 63.438 63.438 79.798 -0.000 -0.000 -0.000 3/42336 40.0 30.880 30.880 40.833 -0.000 0.000 -0.000 3/42336 50.0 18.645 18.645 25.406 -0.000 0.000 -0.000 3/42336 60.0 12.887 12.887 17.856 -0.000 0.000 -0.000 3/42336 70.0 9.728 9.728 13.594 -0.000 0.000 -0.000 3/42336 80.0 7.794 7.794 10.935 -0.000 0.000 -0.000 3/42336 90.0 6.513 6.513 9.149 -0.000 0.000 -0.000 3/42336 100.0 5.612 5.612 7.881 -0.000 0.000 -0.000 3/42336 110.0 4.948 4.948 6.940 -0.000 0.000 -0.000 3/42336 120.0 4.440 4.440 6.217 -0.000 0.000 -0.000 3/42336 130.0 4.039 4.039 5.645 -0.000 0.000 -0.000 3/42336 140.0 3.715 3.715 5.181 -0.000 0.000 -0.000 3/42336 150.0 3.448 3.448 4.798 -0.000 0.000 -0.000 3/42336 160.0 3.223 3.223 4.475 -0.000 0.000 -0.000 3/42336 170.0 3.031 3.031 4.198 -0.000 0.000 -0.000 3/42336 180.0 2.865 2.865 3.959 -0.000 0.000 -0.000 3/42336 190.0 2.719 2.719 3.749 -0.000 0.000 -0.000 3/42336 200.0 2.590 2.590 3.563 -0.000 0.000 -0.000 3/42336 210.0 2.474 2.474 3.398 -0.000 0.000 -0.000 3/42336 220.0 2.371 2.371 3.249 -0.000 0.000 -0.000 3/42336 230.0 2.276 2.276 3.114 -0.000 0.000 -0.000 3/42336 240.0 2.190 2.190 2.991 -0.000 0.000 -0.000 3/42336 250.0 2.111 2.111 2.878 -0.000 0.000 -0.000 3/42336 260.0 2.038 2.038 2.775 -0.000 0.000 -0.000 3/42336 270.0 1.971 1.971 2.679 -0.000 0.000 -0.000 3/42336 280.0 1.908 1.908 2.591 -0.000 0.000 -0.000 3/42336 290.0 1.849 1.849 2.508 -0.000 0.000 -0.000 3/42336 300.0 1.795 1.795 2.432 -0.000 0.000 -0.000 3/42336 310.0 1.743 1.743 2.360 -0.000 0.000 -0.000 3/42336 320.0 1.695 1.695 2.292 -0.000 0.000 -0.000 3/42336 330.0 1.649 1.649 2.229 -0.000 0.000 -0.000 3/42336 340.0 1.606 1.606 2.169 -0.000 0.000 -0.000 3/42336 350.0 1.565 1.565 2.113 -0.000 0.000 -0.000 3/42336 360.0 1.526 1.526 2.060 -0.000 0.000 -0.000 3/42336 370.0 1.489 1.489 2.009 -0.000 0.000 -0.000 3/42336 380.0 1.454 1.454 1.961 -0.000 0.000 -0.000 3/42336 390.0 1.421 1.421 1.915 -0.000 0.000 -0.000 3/42336 400.0 1.389 1.389 1.872 -0.000 0.000 -0.000 3/42336 410.0 1.358 1.358 1.831 -0.000 0.000 -0.000 3/42336 420.0 1.329 1.329 1.791 -0.000 0.000 -0.000 3/42336 430.0 1.301 1.301 1.753 -0.000 0.000 -0.000 3/42336 440.0 1.274 1.274 1.717 -0.000 0.000 -0.000 3/42336 450.0 1.249 1.249 1.683 -0.000 0.000 -0.000 3/42336 460.0 1.224 1.224 1.650 -0.000 0.000 -0.000 3/42336 470.0 1.200 1.200 1.618 -0.000 0.000 -0.000 3/42336 480.0 1.178 1.178 1.587 -0.000 0.000 -0.000 3/42336 490.0 1.156 1.156 1.558 -0.000 0.000 -0.000 3/42336 500.0 1.134 1.134 1.529 -0.000 0.000 -0.000 3/42336 510.0 1.114 1.114 1.502 -0.000 0.000 -0.000 3/42336 520.0 1.094 1.094 1.476 -0.000 0.000 -0.000 3/42336 530.0 1.075 1.075 1.451 -0.000 0.000 -0.000 3/42336 540.0 1.057 1.057 1.426 -0.000 0.000 -0.000 3/42336 550.0 1.039 1.039 1.402 -0.000 0.000 -0.000 3/42336 560.0 1.022 1.022 1.380 -0.000 0.000 -0.000 3/42336 570.0 1.006 1.006 1.358 -0.000 0.000 -0.000 3/42336 580.0 0.990 0.990 1.336 -0.000 0.000 -0.000 3/42336 590.0 0.974 0.974 1.315 -0.000 0.000 -0.000 3/42336 600.0 0.959 0.959 1.295 -0.000 0.000 -0.000 3/42336 610.0 0.944 0.944 1.276 -0.000 0.000 -0.000 3/42336 620.0 0.930 0.930 1.257 -0.000 0.000 -0.000 3/42336 630.0 0.916 0.916 1.239 -0.000 0.000 -0.000 3/42336 640.0 0.903 0.903 1.221 -0.000 0.000 -0.000 3/42336 650.0 0.890 0.890 1.204 -0.000 0.000 -0.000 3/42336 660.0 0.877 0.877 1.187 -0.000 0.000 -0.000 3/42336 670.0 0.865 0.865 1.171 -0.000 0.000 -0.000 3/42336 680.0 0.853 0.853 1.155 -0.000 0.000 -0.000 3/42336 690.0 0.842 0.842 1.139 -0.000 0.000 -0.000 3/42336 700.0 0.830 0.830 1.124 -0.000 0.000 -0.000 3/42336 710.0 0.819 0.819 1.110 -0.000 0.000 -0.000 3/42336 720.0 0.809 0.809 1.095 -0.000 0.000 -0.000 3/42336 730.0 0.798 0.798 1.081 -0.000 0.000 -0.000 3/42336 740.0 0.788 0.788 1.068 -0.000 0.000 -0.000 3/42336 750.0 0.778 0.778 1.055 -0.000 0.000 -0.000 3/42336 760.0 0.768 0.768 1.042 -0.000 0.000 -0.000 3/42336 770.0 0.759 0.759 1.029 -0.000 0.000 -0.000 3/42336 780.0 0.750 0.750 1.017 -0.000 0.000 -0.000 3/42336 790.0 0.741 0.741 1.005 -0.000 0.000 -0.000 3/42336 800.0 0.732 0.732 0.993 -0.000 0.000 -0.000 3/42336 810.0 0.723 0.723 0.982 -0.000 0.000 -0.000 3/42336 820.0 0.715 0.715 0.971 -0.000 0.000 -0.000 3/42336 830.0 0.707 0.707 0.960 -0.000 0.000 -0.000 3/42336 840.0 0.699 0.699 0.949 -0.000 0.000 -0.000 3/42336 850.0 0.691 0.691 0.939 -0.000 0.000 -0.000 3/42336 860.0 0.683 0.683 0.928 -0.000 0.000 -0.000 3/42336 870.0 0.676 0.676 0.918 -0.000 0.000 -0.000 3/42336 880.0 0.668 0.668 0.909 -0.000 0.000 -0.000 3/42336 890.0 0.661 0.661 0.899 -0.000 0.000 -0.000 3/42336 900.0 0.654 0.654 0.890 -0.000 0.000 -0.000 3/42336 910.0 0.647 0.647 0.880 -0.000 0.000 -0.000 3/42336 920.0 0.640 0.640 0.871 -0.000 0.000 -0.000 3/42336 930.0 0.634 0.634 0.863 -0.000 0.000 -0.000 3/42336 940.0 0.627 0.627 0.854 -0.000 0.000 -0.000 3/42336 950.0 0.621 0.621 0.845 -0.000 0.000 -0.000 3/42336 960.0 0.615 0.615 0.837 -0.000 0.000 -0.000 3/42336 970.0 0.609 0.609 0.829 -0.000 0.000 -0.000 3/42336 980.0 0.603 0.603 0.821 -0.000 0.000 -0.000 3/42336 990.0 0.597 0.597 0.813 -0.000 0.000 -0.000 3/42336 1000.0 0.591 0.591 0.805 -0.000 0.000 -0.000 3/42336 Thermal conductivity related properties were written into "kappa-m667.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:44:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|