----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:53:19]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.119054560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.123882590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.473641440000000 Atomic positions (fractional): *1 H 0.81251080907045 0.25000000000000 0.24992295142456 1.008 2 H 0.18748919092955 0.75000000000000 0.75007704857544 1.008 3 H 0.31251080907045 0.25000000000000 0.25007704857544 1.008 4 H 0.68748919092955 0.75000000000000 0.74992295142456 1.008 *5 H 0.62363345135918 0.25000000000000 0.54586353774233 1.008 6 H 0.37636654864082 0.75000000000000 0.45413646225767 1.008 7 H 0.12363345135918 0.25000000000000 0.95413646225767 1.008 8 H 0.87636654864082 0.75000000000000 0.04586353774233 1.008 *9 H 0.39374849539742 0.52828259252634 0.66236950292514 1.008 10 H 0.60625150460258 0.02828259252634 0.33763049707486 1.008 11 H 0.89374849539742 0.97171740747366 0.83763049707486 1.008 12 H 0.10625150460258 0.47171740747366 0.16236950292514 1.008 13 H 0.60625150460258 0.47171740747366 0.33763049707486 1.008 14 H 0.39374849539742 0.97171740747366 0.66236950292514 1.008 15 H 0.10625150460258 0.02828259252634 0.16236950292514 1.008 16 H 0.89374849539742 0.52828259252634 0.83763049707486 1.008 *17 H 0.66865055421669 0.51942709749620 0.96448680443807 1.008 18 H 0.33134944578330 0.01942709749620 0.03551319556193 1.008 19 H 0.16865055421670 0.98057290250380 0.53551319556193 1.008 20 H 0.83134944578331 0.48057290250380 0.46448680443807 1.008 21 H 0.33134944578330 0.48057290250380 0.03551319556193 1.008 22 H 0.66865055421669 0.98057290250380 0.96448680443807 1.008 23 H 0.83134944578331 0.01942709749620 0.46448680443807 1.008 24 H 0.16865055421670 0.51942709749620 0.53551319556193 1.008 *25 Na 0.71618176393474 0.25000000000000 0.75024810660051 22.990 26 Na 0.28381823606526 0.75000000000000 0.24975189339949 22.990 27 Na 0.21618176393474 0.25000000000000 0.74975189339949 22.990 28 Na 0.78381823606526 0.75000000000000 0.25024810660051 22.990 *29 Na 0.89475945684040 0.25000000000000 0.03367041500192 22.990 30 Na 0.10524054315961 0.75000000000000 0.96632958499808 22.990 31 Na 0.39475945684039 0.25000000000000 0.46632958499808 22.990 32 Na 0.60524054315960 0.75000000000000 0.53367041500192 22.990 *33 Na 0.54546295198567 0.25000000000000 0.12705612088323 22.990 34 Na 0.45453704801433 0.75000000000000 0.87294387911677 22.990 35 Na 0.04546295198567 0.25000000000000 0.37294387911677 22.990 36 Na 0.95453704801433 0.75000000000000 0.62705612088323 22.990 *37 Rh 0.72093866740141 0.25000000000000 0.40016991464916 102.906 38 Rh 0.27906133259859 0.75000000000000 0.59983008535084 102.906 39 Rh 0.22093866740141 0.25000000000000 0.09983008535084 102.906 40 Rh 0.77906133259859 0.75000000000000 0.90016991464916 102.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.119054560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.123882590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.473641440000000 Atomic positions (fractional): *1 H 0.81251080907045 0.25000000000000 0.24992295142456 1.008 > 1 2 H 0.18748919092955 0.75000000000000 0.75007704857544 1.008 > 2 3 H 0.31251080907045 0.25000000000000 0.25007704857544 1.008 > 3 4 H 0.68748919092955 0.75000000000000 0.74992295142456 1.008 > 4 *5 H 0.62363345135918 0.25000000000000 0.54586353774233 1.008 > 5 6 H 0.37636654864082 0.75000000000000 0.45413646225767 1.008 > 6 7 H 0.12363345135918 0.25000000000000 0.95413646225767 1.008 > 7 8 H 0.87636654864082 0.75000000000000 0.04586353774233 1.008 > 8 *9 H 0.39374849539742 0.52828259252634 0.66236950292514 1.008 > 9 10 H 0.60625150460258 0.02828259252634 0.33763049707486 1.008 > 10 11 H 0.89374849539742 0.97171740747366 0.83763049707486 1.008 > 11 12 H 0.10625150460258 0.47171740747366 0.16236950292514 1.008 > 12 13 H 0.60625150460258 0.47171740747366 0.33763049707486 1.008 > 13 14 H 0.39374849539742 0.97171740747366 0.66236950292514 1.008 > 14 15 H 0.10625150460258 0.02828259252634 0.16236950292514 1.008 > 15 16 H 0.89374849539742 0.52828259252634 0.83763049707486 1.008 > 16 *17 H 0.66865055421669 0.51942709749620 0.96448680443807 1.008 > 17 18 H 0.33134944578330 0.01942709749620 0.03551319556193 1.008 > 18 19 H 0.16865055421670 0.98057290250380 0.53551319556193 1.008 > 19 20 H 0.83134944578331 0.48057290250380 0.46448680443807 1.008 > 20 21 H 0.33134944578330 0.48057290250380 0.03551319556193 1.008 > 21 22 H 0.66865055421669 0.98057290250380 0.96448680443807 1.008 > 22 23 H 0.83134944578331 0.01942709749620 0.46448680443807 1.008 > 23 24 H 0.16865055421670 0.51942709749620 0.53551319556193 1.008 > 24 *25 Na 0.71618176393474 0.25000000000000 0.75024810660051 22.990 > 25 26 Na 0.28381823606526 0.75000000000000 0.24975189339949 22.990 > 26 27 Na 0.21618176393474 0.25000000000000 0.74975189339949 22.990 > 27 28 Na 0.78381823606526 0.75000000000000 0.25024810660051 22.990 > 28 *29 Na 0.89475945684040 0.25000000000000 0.03367041500192 22.990 > 29 30 Na 0.10524054315961 0.75000000000000 0.96632958499808 22.990 > 30 31 Na 0.39475945684039 0.25000000000000 0.46632958499808 22.990 > 31 32 Na 0.60524054315960 0.75000000000000 0.53367041500192 22.990 > 32 *33 Na 0.54546295198567 0.25000000000000 0.12705612088323 22.990 > 33 34 Na 0.45453704801433 0.75000000000000 0.87294387911677 22.990 > 34 35 Na 0.04546295198567 0.25000000000000 0.37294387911677 22.990 > 35 36 Na 0.95453704801433 0.75000000000000 0.62705612088323 22.990 > 36 *37 Rh 0.72093866740141 0.25000000000000 0.40016991464916 102.906 > 37 38 Rh 0.27906133259859 0.75000000000000 0.59983008535084 102.906 > 38 39 Rh 0.22093866740141 0.25000000000000 0.09983008535084 102.906 > 39 40 Rh 0.77906133259859 0.75000000000000 0.90016991464916 102.906 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.119054560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.247765180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.473641440000000 Atomic positions (fractional): *1 H 0.81251080907045 0.12500000000000 0.24992295142456 1.008 > 1 2 H 0.81251080907045 0.62500000000000 0.24992295142456 1.008 > 1 3 H 0.18748919092955 0.37500000000000 0.75007704857544 1.008 > 2 4 H 0.18748919092955 0.87500000000000 0.75007704857544 1.008 > 2 5 H 0.31251080907045 0.12500000000000 0.25007704857544 1.008 > 3 6 H 0.31251080907045 0.62500000000000 0.25007704857544 1.008 > 3 7 H 0.68748919092955 0.37500000000000 0.74992295142456 1.008 > 4 8 H 0.68748919092955 0.87500000000000 0.74992295142456 1.008 > 4 *9 H 0.62363345135918 0.12500000000000 0.54586353774233 1.008 > 5 10 H 0.62363345135918 0.62500000000000 0.54586353774233 1.008 > 5 11 H 0.37636654864082 0.37500000000000 0.45413646225767 1.008 > 6 12 H 0.37636654864082 0.87500000000000 0.45413646225767 1.008 > 6 13 H 0.12363345135918 0.12500000000000 0.95413646225767 1.008 > 7 14 H 0.12363345135918 0.62500000000000 0.95413646225767 1.008 > 7 15 H 0.87636654864082 0.37500000000000 0.04586353774233 1.008 > 8 16 H 0.87636654864082 0.87500000000000 0.04586353774233 1.008 > 8 *17 H 0.39374849539742 0.26414129626317 0.66236950292514 1.008 > 9 18 H 0.39374849539742 0.76414129626317 0.66236950292514 1.008 > 9 19 H 0.60625150460258 0.01414129626317 0.33763049707486 1.008 > 10 20 H 0.60625150460258 0.51414129626317 0.33763049707486 1.008 > 10 21 H 0.89374849539742 0.48585870373683 0.83763049707486 1.008 > 11 22 H 0.89374849539742 0.98585870373683 0.83763049707486 1.008 > 11 23 H 0.10625150460258 0.23585870373683 0.16236950292514 1.008 > 12 24 H 0.10625150460258 0.73585870373683 0.16236950292514 1.008 > 12 25 H 0.60625150460258 0.23585870373683 0.33763049707486 1.008 > 13 26 H 0.60625150460258 0.73585870373683 0.33763049707486 1.008 > 13 27 H 0.39374849539742 0.48585870373683 0.66236950292514 1.008 > 14 28 H 0.39374849539742 0.98585870373683 0.66236950292514 1.008 > 14 29 H 0.10625150460258 0.01414129626317 0.16236950292514 1.008 > 15 30 H 0.10625150460258 0.51414129626317 0.16236950292514 1.008 > 15 31 H 0.89374849539742 0.26414129626317 0.83763049707486 1.008 > 16 32 H 0.89374849539742 0.76414129626317 0.83763049707486 1.008 > 16 *33 H 0.66865055421669 0.25971354874810 0.96448680443807 1.008 > 17 34 H 0.66865055421669 0.75971354874810 0.96448680443807 1.008 > 17 35 H 0.33134944578330 0.00971354874810 0.03551319556193 1.008 > 18 36 H 0.33134944578330 0.50971354874810 0.03551319556193 1.008 > 18 37 H 0.16865055421670 0.49028645125190 0.53551319556193 1.008 > 19 38 H 0.16865055421670 0.99028645125190 0.53551319556193 1.008 > 19 39 H 0.83134944578331 0.24028645125190 0.46448680443807 1.008 > 20 40 H 0.83134944578331 0.74028645125190 0.46448680443807 1.008 > 20 41 H 0.33134944578330 0.24028645125190 0.03551319556193 1.008 > 21 42 H 0.33134944578330 0.74028645125190 0.03551319556193 1.008 > 21 43 H 0.66865055421669 0.49028645125190 0.96448680443807 1.008 > 22 44 H 0.66865055421669 0.99028645125190 0.96448680443807 1.008 > 22 45 H 0.83134944578331 0.00971354874810 0.46448680443807 1.008 > 23 46 H 0.83134944578331 0.50971354874810 0.46448680443807 1.008 > 23 47 H 0.16865055421670 0.25971354874810 0.53551319556193 1.008 > 24 48 H 0.16865055421670 0.75971354874810 0.53551319556193 1.008 > 24 *49 Na 0.71618176393474 0.12500000000000 0.75024810660051 22.990 > 25 50 Na 0.71618176393474 0.62500000000000 0.75024810660051 22.990 > 25 51 Na 0.28381823606526 0.37500000000000 0.24975189339949 22.990 > 26 52 Na 0.28381823606526 0.87500000000000 0.24975189339949 22.990 > 26 53 Na 0.21618176393474 0.12500000000000 0.74975189339949 22.990 > 27 54 Na 0.21618176393474 0.62500000000000 0.74975189339949 22.990 > 27 55 Na 0.78381823606526 0.37500000000000 0.25024810660051 22.990 > 28 56 Na 0.78381823606526 0.87500000000000 0.25024810660051 22.990 > 28 *57 Na 0.89475945684040 0.12500000000000 0.03367041500192 22.990 > 29 58 Na 0.89475945684040 0.62500000000000 0.03367041500192 22.990 > 29 59 Na 0.10524054315961 0.37500000000000 0.96632958499808 22.990 > 30 60 Na 0.10524054315961 0.87500000000000 0.96632958499808 22.990 > 30 61 Na 0.39475945684039 0.12500000000000 0.46632958499808 22.990 > 31 62 Na 0.39475945684039 0.62500000000000 0.46632958499808 22.990 > 31 63 Na 0.60524054315960 0.37500000000000 0.53367041500192 22.990 > 32 64 Na 0.60524054315960 0.87500000000000 0.53367041500192 22.990 > 32 *65 Na 0.54546295198567 0.12500000000000 0.12705612088323 22.990 > 33 66 Na 0.54546295198567 0.62500000000000 0.12705612088323 22.990 > 33 67 Na 0.45453704801433 0.37500000000000 0.87294387911677 22.990 > 34 68 Na 0.45453704801433 0.87500000000000 0.87294387911677 22.990 > 34 69 Na 0.04546295198567 0.12500000000000 0.37294387911677 22.990 > 35 70 Na 0.04546295198567 0.62500000000000 0.37294387911677 22.990 > 35 71 Na 0.95453704801433 0.37500000000000 0.62705612088323 22.990 > 36 72 Na 0.95453704801433 0.87500000000000 0.62705612088323 22.990 > 36 *73 Rh 0.72093866740141 0.12500000000000 0.40016991464916 102.906 > 37 74 Rh 0.72093866740141 0.62500000000000 0.40016991464916 102.906 > 37 75 Rh 0.27906133259859 0.37500000000000 0.59983008535084 102.906 > 38 76 Rh 0.27906133259859 0.87500000000000 0.59983008535084 102.906 > 38 77 Rh 0.22093866740141 0.12500000000000 0.09983008535084 102.906 > 39 78 Rh 0.22093866740141 0.62500000000000 0.09983008535084 102.906 > 39 79 Rh 0.77906133259859 0.37500000000000 0.90016991464916 102.906 > 40 80 Rh 0.77906133259859 0.87500000000000 0.90016991464916 102.906 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5938842 0.0000000 0.0000000 0.0000000 3.6916549 0.0000000 0.0000000 0.0000000 3.4574098 -------------------------- Born effective charges -------------------------- 1 H -0.2440636 0.0000000 0.5715615 0.0000000 0.1182667 0.0000000 0.5274492 0.0000000 -0.8363977 2 H -0.2440636 0.0000000 0.5715615 0.0000000 0.1182667 0.0000000 0.5274492 0.0000000 -0.8363977 3 H -0.2440636 0.0000000 -0.5715615 0.0000000 0.1182667 0.0000000 -0.5274492 0.0000000 -0.8363977 4 H -0.2440636 0.0000000 -0.5715615 0.0000000 0.1182667 0.0000000 -0.5274492 0.0000000 -0.8363977 5 H -0.2792002 0.0000000 0.5874396 0.0000000 0.0802208 0.0000000 0.5267535 0.0000000 -0.7235090 6 H -0.2792002 0.0000000 0.5874396 0.0000000 0.0802208 0.0000000 0.5267535 0.0000000 -0.7235090 7 H -0.2792002 0.0000000 -0.5874396 0.0000000 0.0802208 0.0000000 -0.5267535 0.0000000 -0.7235090 8 H -0.2792002 0.0000000 -0.5874396 0.0000000 0.0802208 0.0000000 -0.5267535 0.0000000 -0.7235090 9 H -0.3746673 0.4895837 -0.2724264 0.5423039 -0.5322466 0.3332865 -0.2419892 0.2532977 -0.0577047 10 H -0.3746673 -0.4895837 -0.2724264 -0.5423039 -0.5322466 -0.3332865 -0.2419892 -0.2532977 -0.0577047 11 H -0.3746673 -0.4895837 0.2724264 -0.5423039 -0.5322466 0.3332865 0.2419892 0.2532977 -0.0577047 12 H -0.3746673 0.4895837 0.2724264 0.5423039 -0.5322466 -0.3332865 0.2419892 -0.2532977 -0.0577047 13 H -0.3746673 0.4895837 -0.2724264 0.5423039 -0.5322466 0.3332865 -0.2419892 0.2532977 -0.0577047 14 H -0.3746673 -0.4895837 -0.2724264 -0.5423039 -0.5322466 -0.3332865 -0.2419892 -0.2532977 -0.0577047 15 H -0.3746673 -0.4895837 0.2724264 -0.5423039 -0.5322466 0.3332865 0.2419892 0.2532977 -0.0577047 16 H -0.3746673 0.4895837 0.2724264 0.5423039 -0.5322466 -0.3332865 0.2419892 -0.2532977 -0.0577047 17 H -0.3728667 -0.5016624 0.2682319 -0.5842010 -0.6262961 0.3585333 0.2473367 0.2980839 -0.0747579 18 H -0.3728667 0.5016624 0.2682319 0.5842010 -0.6262961 -0.3585333 0.2473367 -0.2980839 -0.0747579 19 H -0.3728667 0.5016624 -0.2682319 0.5842010 -0.6262961 0.3585333 -0.2473367 0.2980839 -0.0747579 20 H -0.3728667 -0.5016624 -0.2682319 -0.5842010 -0.6262961 -0.3585333 -0.2473367 -0.2980839 -0.0747579 21 H -0.3728667 -0.5016624 0.2682319 -0.5842010 -0.6262961 0.3585333 0.2473367 0.2980839 -0.0747579 22 H -0.3728667 0.5016624 0.2682319 0.5842010 -0.6262961 -0.3585333 0.2473367 -0.2980839 -0.0747579 23 H -0.3728667 0.5016624 -0.2682319 0.5842010 -0.6262961 0.3585333 -0.2473367 0.2980839 -0.0747579 24 H -0.3728667 -0.5016624 -0.2682319 -0.5842010 -0.6262961 -0.3585333 -0.2473367 -0.2980839 -0.0747579 25 Na 0.7185659 0.0000000 0.1060723 0.0000000 1.2188690 0.0000000 0.1810587 0.0000000 1.1181760 26 Na 0.7185659 0.0000000 0.1060723 0.0000000 1.2188690 0.0000000 0.1810587 0.0000000 1.1181760 27 Na 0.7185659 0.0000000 -0.1060723 0.0000000 1.2188690 0.0000000 -0.1810587 0.0000000 1.1181760 28 Na 0.7185659 0.0000000 -0.1060723 0.0000000 1.2188690 0.0000000 -0.1810587 0.0000000 1.1181760 29 Na 1.0293580 0.0000000 0.0795407 0.0000000 1.0721529 0.0000000 0.0872923 0.0000000 0.8568146 30 Na 1.0293580 0.0000000 0.0795407 0.0000000 1.0721529 0.0000000 0.0872923 0.0000000 0.8568146 31 Na 1.0293580 0.0000000 -0.0795407 0.0000000 1.0721529 0.0000000 -0.0872923 0.0000000 0.8568146 32 Na 1.0293580 0.0000000 -0.0795407 0.0000000 1.0721529 0.0000000 -0.0872923 0.0000000 0.8568146 33 Na 1.2759337 0.0000000 0.0093875 0.0000000 0.8332594 0.0000000 0.0581244 0.0000000 1.0941299 34 Na 1.2759337 0.0000000 0.0093875 0.0000000 0.8332594 0.0000000 0.0581244 0.0000000 1.0941299 35 Na 1.2759337 0.0000000 -0.0093875 0.0000000 0.8332594 0.0000000 -0.0581244 0.0000000 1.0941299 36 Na 1.2759337 0.0000000 -0.0093875 0.0000000 0.8332594 0.0000000 -0.0581244 0.0000000 1.0941299 37 Rh -1.0055258 0.0000000 0.0054091 0.0000000 -1.0056835 0.0000000 -0.0605850 0.0000000 -1.2442888 38 Rh -1.0055258 0.0000000 0.0054091 0.0000000 -1.0056835 0.0000000 -0.0605850 0.0000000 -1.2442888 39 Rh -1.0055258 0.0000000 -0.0054091 0.0000000 -1.0056835 0.0000000 0.0605850 0.0000000 -1.2442888 40 Rh -1.0055258 0.0000000 -0.0054091 0.0000000 -1.0056835 0.0000000 0.0605850 0.0000000 -1.2442888 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1926 Number of blocks in projector: 1926 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 266 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 266 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 266 Use standard eigh solver. Tree of FC basis block matrices: - (1926, 1878), data: False |-- (266, 258), data: True |-- (266, 258), data: True |-- (266, 258), data: True |-- (328, 324), data: True |-- (328, 324), data: True |-- (472, 456), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.193 Solver_block: 200 / 640 - Time: 2.187 Solver_block: 300 / 640 - Time: 2.187 Solver_block: 400 / 640 - Time: 2.185 Solver_block: 500 / 640 - Time: 2.185 Solver_block: 600 / 640 - Time: 2.190 Solver_block: 640 / 640 - Time: 0.941 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.119 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1926 Number of blocks in projector: 1926 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 266 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 266 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 266 Use standard eigh solver. Tree of FC basis block matrices: - (1926, 1878), data: False |-- (266, 258), data: True |-- (266, 258), data: True |-- (266, 258), data: True |-- (328, 324), data: True |-- (328, 324), data: True |-- (472, 456), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 05:53:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:53:53]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.119054560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.123882590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.473641440000000 Atomic positions (fractional): 1 H 0.81251080907045 0.25000000000000 0.24992295142456 1.008 2 H 0.18748919092955 0.75000000000000 0.75007704857544 1.008 3 H 0.31251080907045 0.25000000000000 0.25007704857544 1.008 4 H 0.68748919092955 0.75000000000000 0.74992295142456 1.008 5 H 0.62363345135918 0.25000000000000 0.54586353774233 1.008 6 H 0.37636654864082 0.75000000000000 0.45413646225767 1.008 7 H 0.12363345135918 0.25000000000000 0.95413646225767 1.008 8 H 0.87636654864082 0.75000000000000 0.04586353774233 1.008 9 H 0.39374849539742 0.52828259252634 0.66236950292514 1.008 10 H 0.60625150460258 0.02828259252634 0.33763049707486 1.008 11 H 0.89374849539742 0.97171740747366 0.83763049707486 1.008 12 H 0.10625150460258 0.47171740747366 0.16236950292514 1.008 13 H 0.60625150460258 0.47171740747366 0.33763049707486 1.008 14 H 0.39374849539742 0.97171740747366 0.66236950292514 1.008 15 H 0.10625150460258 0.02828259252634 0.16236950292514 1.008 16 H 0.89374849539742 0.52828259252634 0.83763049707486 1.008 17 H 0.66865055421669 0.51942709749620 0.96448680443807 1.008 18 H 0.33134944578330 0.01942709749620 0.03551319556193 1.008 19 H 0.16865055421670 0.98057290250380 0.53551319556193 1.008 20 H 0.83134944578331 0.48057290250380 0.46448680443807 1.008 21 H 0.33134944578330 0.48057290250380 0.03551319556193 1.008 22 H 0.66865055421669 0.98057290250380 0.96448680443807 1.008 23 H 0.83134944578331 0.01942709749620 0.46448680443807 1.008 24 H 0.16865055421670 0.51942709749620 0.53551319556193 1.008 25 Na 0.71618176393474 0.25000000000000 0.75024810660051 22.990 26 Na 0.28381823606526 0.75000000000000 0.24975189339949 22.990 27 Na 0.21618176393474 0.25000000000000 0.74975189339949 22.990 28 Na 0.78381823606526 0.75000000000000 0.25024810660051 22.990 29 Na 0.89475945684040 0.25000000000000 0.03367041500192 22.990 30 Na 0.10524054315961 0.75000000000000 0.96632958499808 22.990 31 Na 0.39475945684039 0.25000000000000 0.46632958499808 22.990 32 Na 0.60524054315960 0.75000000000000 0.53367041500192 22.990 33 Na 0.54546295198567 0.25000000000000 0.12705612088323 22.990 34 Na 0.45453704801433 0.75000000000000 0.87294387911677 22.990 35 Na 0.04546295198567 0.25000000000000 0.37294387911677 22.990 36 Na 0.95453704801433 0.75000000000000 0.62705612088323 22.990 37 Rh 0.72093866740141 0.25000000000000 0.40016991464916 102.906 38 Rh 0.27906133259859 0.75000000000000 0.59983008535084 102.906 39 Rh 0.22093866740141 0.25000000000000 0.09983008535084 102.906 40 Rh 0.77906133259859 0.75000000000000 0.90016991464916 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.119054560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.247765180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.473641440000000 Atomic positions (fractional): 1 H 0.81251080907045 0.12500000000000 0.24992295142456 1.008 > 1 2 H 0.81251080907045 0.62500000000000 0.24992295142456 1.008 > 1 3 H 0.18748919092955 0.37500000000000 0.75007704857544 1.008 > 3 4 H 0.18748919092955 0.87500000000000 0.75007704857544 1.008 > 3 5 H 0.31251080907045 0.12500000000000 0.25007704857544 1.008 > 5 6 H 0.31251080907045 0.62500000000000 0.25007704857544 1.008 > 5 7 H 0.68748919092955 0.37500000000000 0.74992295142456 1.008 > 7 8 H 0.68748919092955 0.87500000000000 0.74992295142456 1.008 > 7 9 H 0.62363345135918 0.12500000000000 0.54586353774233 1.008 > 9 10 H 0.62363345135918 0.62500000000000 0.54586353774233 1.008 > 9 11 H 0.37636654864082 0.37500000000000 0.45413646225767 1.008 > 11 12 H 0.37636654864082 0.87500000000000 0.45413646225767 1.008 > 11 13 H 0.12363345135918 0.12500000000000 0.95413646225767 1.008 > 13 14 H 0.12363345135918 0.62500000000000 0.95413646225767 1.008 > 13 15 H 0.87636654864082 0.37500000000000 0.04586353774233 1.008 > 15 16 H 0.87636654864082 0.87500000000000 0.04586353774233 1.008 > 15 17 H 0.39374849539742 0.26414129626317 0.66236950292514 1.008 > 17 18 H 0.39374849539742 0.76414129626317 0.66236950292514 1.008 > 17 19 H 0.60625150460258 0.01414129626317 0.33763049707486 1.008 > 19 20 H 0.60625150460258 0.51414129626317 0.33763049707486 1.008 > 19 21 H 0.89374849539742 0.48585870373683 0.83763049707486 1.008 > 21 22 H 0.89374849539742 0.98585870373683 0.83763049707486 1.008 > 21 23 H 0.10625150460258 0.23585870373683 0.16236950292514 1.008 > 23 24 H 0.10625150460258 0.73585870373683 0.16236950292514 1.008 > 23 25 H 0.60625150460258 0.23585870373683 0.33763049707486 1.008 > 25 26 H 0.60625150460258 0.73585870373683 0.33763049707486 1.008 > 25 27 H 0.39374849539742 0.48585870373683 0.66236950292514 1.008 > 27 28 H 0.39374849539742 0.98585870373683 0.66236950292514 1.008 > 27 29 H 0.10625150460258 0.01414129626317 0.16236950292514 1.008 > 29 30 H 0.10625150460258 0.51414129626317 0.16236950292514 1.008 > 29 31 H 0.89374849539742 0.26414129626317 0.83763049707486 1.008 > 31 32 H 0.89374849539742 0.76414129626317 0.83763049707486 1.008 > 31 33 H 0.66865055421669 0.25971354874810 0.96448680443807 1.008 > 33 34 H 0.66865055421669 0.75971354874810 0.96448680443807 1.008 > 33 35 H 0.33134944578330 0.00971354874810 0.03551319556193 1.008 > 35 36 H 0.33134944578330 0.50971354874810 0.03551319556193 1.008 > 35 37 H 0.16865055421670 0.49028645125190 0.53551319556193 1.008 > 37 38 H 0.16865055421670 0.99028645125190 0.53551319556193 1.008 > 37 39 H 0.83134944578331 0.24028645125190 0.46448680443807 1.008 > 39 40 H 0.83134944578331 0.74028645125190 0.46448680443807 1.008 > 39 41 H 0.33134944578330 0.24028645125190 0.03551319556193 1.008 > 41 42 H 0.33134944578330 0.74028645125190 0.03551319556193 1.008 > 41 43 H 0.66865055421669 0.49028645125190 0.96448680443807 1.008 > 43 44 H 0.66865055421669 0.99028645125190 0.96448680443807 1.008 > 43 45 H 0.83134944578331 0.00971354874810 0.46448680443807 1.008 > 45 46 H 0.83134944578331 0.50971354874810 0.46448680443807 1.008 > 45 47 H 0.16865055421670 0.25971354874810 0.53551319556193 1.008 > 47 48 H 0.16865055421670 0.75971354874810 0.53551319556193 1.008 > 47 49 Na 0.71618176393474 0.12500000000000 0.75024810660051 22.990 > 49 50 Na 0.71618176393474 0.62500000000000 0.75024810660051 22.990 > 49 51 Na 0.28381823606526 0.37500000000000 0.24975189339949 22.990 > 51 52 Na 0.28381823606526 0.87500000000000 0.24975189339949 22.990 > 51 53 Na 0.21618176393474 0.12500000000000 0.74975189339949 22.990 > 53 54 Na 0.21618176393474 0.62500000000000 0.74975189339949 22.990 > 53 55 Na 0.78381823606526 0.37500000000000 0.25024810660051 22.990 > 55 56 Na 0.78381823606526 0.87500000000000 0.25024810660051 22.990 > 55 57 Na 0.89475945684040 0.12500000000000 0.03367041500192 22.990 > 57 58 Na 0.89475945684040 0.62500000000000 0.03367041500192 22.990 > 57 59 Na 0.10524054315961 0.37500000000000 0.96632958499808 22.990 > 59 60 Na 0.10524054315961 0.87500000000000 0.96632958499808 22.990 > 59 61 Na 0.39475945684039 0.12500000000000 0.46632958499808 22.990 > 61 62 Na 0.39475945684039 0.62500000000000 0.46632958499808 22.990 > 61 63 Na 0.60524054315960 0.37500000000000 0.53367041500192 22.990 > 63 64 Na 0.60524054315960 0.87500000000000 0.53367041500192 22.990 > 63 65 Na 0.54546295198567 0.12500000000000 0.12705612088323 22.990 > 65 66 Na 0.54546295198567 0.62500000000000 0.12705612088323 22.990 > 65 67 Na 0.45453704801433 0.37500000000000 0.87294387911677 22.990 > 67 68 Na 0.45453704801433 0.87500000000000 0.87294387911677 22.990 > 67 69 Na 0.04546295198567 0.12500000000000 0.37294387911677 22.990 > 69 70 Na 0.04546295198567 0.62500000000000 0.37294387911677 22.990 > 69 71 Na 0.95453704801433 0.37500000000000 0.62705612088323 22.990 > 71 72 Na 0.95453704801433 0.87500000000000 0.62705612088323 22.990 > 71 73 Rh 0.72093866740141 0.12500000000000 0.40016991464916 102.906 > 73 74 Rh 0.72093866740141 0.62500000000000 0.40016991464916 102.906 > 73 75 Rh 0.27906133259859 0.37500000000000 0.59983008535084 102.906 > 75 76 Rh 0.27906133259859 0.87500000000000 0.59983008535084 102.906 > 75 77 Rh 0.22093866740141 0.12500000000000 0.09983008535084 102.906 > 77 78 Rh 0.22093866740141 0.62500000000000 0.09983008535084 102.906 > 77 79 Rh 0.77906133259859 0.37500000000000 0.90016991464916 102.906 > 79 80 Rh 0.77906133259859 0.87500000000000 0.90016991464916 102.906 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5938842 0.0000000 0.0000000 0.0000000 3.6916549 0.0000000 0.0000000 0.0000000 3.4574098 -------------------------- Born effective charges -------------------------- 1 H -0.2440636 0.0000000 0.5715615 0.0000000 0.1182667 0.0000000 0.5274492 0.0000000 -0.8363977 2 H -0.2440636 0.0000000 0.5715615 0.0000000 0.1182667 0.0000000 0.5274492 0.0000000 -0.8363977 3 H -0.2440636 0.0000000 -0.5715615 0.0000000 0.1182667 0.0000000 -0.5274492 0.0000000 -0.8363977 4 H -0.2440636 0.0000000 -0.5715615 0.0000000 0.1182667 0.0000000 -0.5274492 0.0000000 -0.8363977 5 H -0.2792002 0.0000000 0.5874396 0.0000000 0.0802208 0.0000000 0.5267535 0.0000000 -0.7235090 6 H -0.2792002 0.0000000 0.5874396 0.0000000 0.0802208 0.0000000 0.5267535 0.0000000 -0.7235090 7 H -0.2792002 0.0000000 -0.5874396 0.0000000 0.0802208 0.0000000 -0.5267535 0.0000000 -0.7235090 8 H -0.2792002 0.0000000 -0.5874396 0.0000000 0.0802208 0.0000000 -0.5267535 0.0000000 -0.7235090 9 H -0.3746673 0.4895837 -0.2724264 0.5423039 -0.5322466 0.3332865 -0.2419892 0.2532977 -0.0577047 10 H -0.3746673 -0.4895837 -0.2724264 -0.5423039 -0.5322466 -0.3332865 -0.2419892 -0.2532977 -0.0577047 11 H -0.3746673 -0.4895837 0.2724264 -0.5423039 -0.5322466 0.3332865 0.2419892 0.2532977 -0.0577047 12 H -0.3746673 0.4895837 0.2724264 0.5423039 -0.5322466 -0.3332865 0.2419892 -0.2532977 -0.0577047 13 H -0.3746673 0.4895837 -0.2724264 0.5423039 -0.5322466 0.3332865 -0.2419892 0.2532977 -0.0577047 14 H -0.3746673 -0.4895837 -0.2724264 -0.5423039 -0.5322466 -0.3332865 -0.2419892 -0.2532977 -0.0577047 15 H -0.3746673 -0.4895837 0.2724264 -0.5423039 -0.5322466 0.3332865 0.2419892 0.2532977 -0.0577047 16 H -0.3746673 0.4895837 0.2724264 0.5423039 -0.5322466 -0.3332865 0.2419892 -0.2532977 -0.0577047 17 H -0.3728667 -0.5016624 0.2682319 -0.5842010 -0.6262961 0.3585333 0.2473367 0.2980839 -0.0747579 18 H -0.3728667 0.5016624 0.2682319 0.5842010 -0.6262961 -0.3585333 0.2473367 -0.2980839 -0.0747579 19 H -0.3728667 0.5016624 -0.2682319 0.5842010 -0.6262961 0.3585333 -0.2473367 0.2980839 -0.0747579 20 H -0.3728667 -0.5016624 -0.2682319 -0.5842010 -0.6262961 -0.3585333 -0.2473367 -0.2980839 -0.0747579 21 H -0.3728667 -0.5016624 0.2682319 -0.5842010 -0.6262961 0.3585333 0.2473367 0.2980839 -0.0747579 22 H -0.3728667 0.5016624 0.2682319 0.5842010 -0.6262961 -0.3585333 0.2473367 -0.2980839 -0.0747579 23 H -0.3728667 0.5016624 -0.2682319 0.5842010 -0.6262961 0.3585333 -0.2473367 0.2980839 -0.0747579 24 H -0.3728667 -0.5016624 -0.2682319 -0.5842010 -0.6262961 -0.3585333 -0.2473367 -0.2980839 -0.0747579 25 Na 0.7185659 0.0000000 0.1060723 0.0000000 1.2188690 0.0000000 0.1810587 0.0000000 1.1181760 26 Na 0.7185659 0.0000000 0.1060723 0.0000000 1.2188690 0.0000000 0.1810587 0.0000000 1.1181760 27 Na 0.7185659 0.0000000 -0.1060723 0.0000000 1.2188690 0.0000000 -0.1810587 0.0000000 1.1181760 28 Na 0.7185659 0.0000000 -0.1060723 0.0000000 1.2188690 0.0000000 -0.1810587 0.0000000 1.1181760 29 Na 1.0293580 0.0000000 0.0795407 0.0000000 1.0721529 0.0000000 0.0872923 0.0000000 0.8568146 30 Na 1.0293580 0.0000000 0.0795407 0.0000000 1.0721529 0.0000000 0.0872923 0.0000000 0.8568146 31 Na 1.0293580 0.0000000 -0.0795407 0.0000000 1.0721529 0.0000000 -0.0872923 0.0000000 0.8568146 32 Na 1.0293580 0.0000000 -0.0795407 0.0000000 1.0721529 0.0000000 -0.0872923 0.0000000 0.8568146 33 Na 1.2759337 0.0000000 0.0093875 0.0000000 0.8332594 0.0000000 0.0581244 0.0000000 1.0941299 34 Na 1.2759337 0.0000000 0.0093875 0.0000000 0.8332594 0.0000000 0.0581244 0.0000000 1.0941299 35 Na 1.2759337 0.0000000 -0.0093875 0.0000000 0.8332594 0.0000000 -0.0581244 0.0000000 1.0941299 36 Na 1.2759337 0.0000000 -0.0093875 0.0000000 0.8332594 0.0000000 -0.0581244 0.0000000 1.0941299 37 Rh -1.0055258 0.0000000 0.0054091 0.0000000 -1.0056835 0.0000000 -0.0605850 0.0000000 -1.2442888 38 Rh -1.0055258 0.0000000 0.0054091 0.0000000 -1.0056835 0.0000000 -0.0605850 0.0000000 -1.2442888 39 Rh -1.0055258 0.0000000 -0.0054091 0.0000000 -1.0056835 0.0000000 0.0605850 0.0000000 -1.2442888 40 Rh -1.0055258 0.0000000 -0.0054091 0.0000000 -1.0056835 0.0000000 0.0605850 0.0000000 -1.2442888 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:54:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:54:12]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.119054560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.123882590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.473641440000000 Atomic positions (fractional): 1 H 0.81251080907045 0.25000000000000 0.24992295142456 1.008 2 H 0.18748919092955 0.75000000000000 0.75007704857544 1.008 3 H 0.31251080907045 0.25000000000000 0.25007704857544 1.008 4 H 0.68748919092955 0.75000000000000 0.74992295142456 1.008 5 H 0.62363345135918 0.25000000000000 0.54586353774233 1.008 6 H 0.37636654864082 0.75000000000000 0.45413646225767 1.008 7 H 0.12363345135918 0.25000000000000 0.95413646225767 1.008 8 H 0.87636654864082 0.75000000000000 0.04586353774233 1.008 9 H 0.39374849539742 0.52828259252634 0.66236950292514 1.008 10 H 0.60625150460258 0.02828259252634 0.33763049707486 1.008 11 H 0.89374849539742 0.97171740747366 0.83763049707486 1.008 12 H 0.10625150460258 0.47171740747366 0.16236950292514 1.008 13 H 0.60625150460258 0.47171740747366 0.33763049707486 1.008 14 H 0.39374849539742 0.97171740747366 0.66236950292514 1.008 15 H 0.10625150460258 0.02828259252634 0.16236950292514 1.008 16 H 0.89374849539742 0.52828259252634 0.83763049707486 1.008 17 H 0.66865055421669 0.51942709749620 0.96448680443807 1.008 18 H 0.33134944578330 0.01942709749620 0.03551319556193 1.008 19 H 0.16865055421670 0.98057290250380 0.53551319556193 1.008 20 H 0.83134944578331 0.48057290250380 0.46448680443807 1.008 21 H 0.33134944578330 0.48057290250380 0.03551319556193 1.008 22 H 0.66865055421669 0.98057290250380 0.96448680443807 1.008 23 H 0.83134944578331 0.01942709749620 0.46448680443807 1.008 24 H 0.16865055421670 0.51942709749620 0.53551319556193 1.008 25 Na 0.71618176393474 0.25000000000000 0.75024810660051 22.990 26 Na 0.28381823606526 0.75000000000000 0.24975189339949 22.990 27 Na 0.21618176393474 0.25000000000000 0.74975189339949 22.990 28 Na 0.78381823606526 0.75000000000000 0.25024810660051 22.990 29 Na 0.89475945684040 0.25000000000000 0.03367041500192 22.990 30 Na 0.10524054315961 0.75000000000000 0.96632958499808 22.990 31 Na 0.39475945684039 0.25000000000000 0.46632958499808 22.990 32 Na 0.60524054315960 0.75000000000000 0.53367041500192 22.990 33 Na 0.54546295198567 0.25000000000000 0.12705612088323 22.990 34 Na 0.45453704801433 0.75000000000000 0.87294387911677 22.990 35 Na 0.04546295198567 0.25000000000000 0.37294387911677 22.990 36 Na 0.95453704801433 0.75000000000000 0.62705612088323 22.990 37 Rh 0.72093866740141 0.25000000000000 0.40016991464916 102.906 38 Rh 0.27906133259859 0.75000000000000 0.59983008535084 102.906 39 Rh 0.22093866740141 0.25000000000000 0.09983008535084 102.906 40 Rh 0.77906133259859 0.75000000000000 0.90016991464916 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.119054560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.247765180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.473641440000000 Atomic positions (fractional): 1 H 0.81251080907045 0.12500000000000 0.24992295142456 1.008 > 1 2 H 0.81251080907045 0.62500000000000 0.24992295142456 1.008 > 1 3 H 0.18748919092955 0.37500000000000 0.75007704857544 1.008 > 3 4 H 0.18748919092955 0.87500000000000 0.75007704857544 1.008 > 3 5 H 0.31251080907045 0.12500000000000 0.25007704857544 1.008 > 5 6 H 0.31251080907045 0.62500000000000 0.25007704857544 1.008 > 5 7 H 0.68748919092955 0.37500000000000 0.74992295142456 1.008 > 7 8 H 0.68748919092955 0.87500000000000 0.74992295142456 1.008 > 7 9 H 0.62363345135918 0.12500000000000 0.54586353774233 1.008 > 9 10 H 0.62363345135918 0.62500000000000 0.54586353774233 1.008 > 9 11 H 0.37636654864082 0.37500000000000 0.45413646225767 1.008 > 11 12 H 0.37636654864082 0.87500000000000 0.45413646225767 1.008 > 11 13 H 0.12363345135918 0.12500000000000 0.95413646225767 1.008 > 13 14 H 0.12363345135918 0.62500000000000 0.95413646225767 1.008 > 13 15 H 0.87636654864082 0.37500000000000 0.04586353774233 1.008 > 15 16 H 0.87636654864082 0.87500000000000 0.04586353774233 1.008 > 15 17 H 0.39374849539742 0.26414129626317 0.66236950292514 1.008 > 17 18 H 0.39374849539742 0.76414129626317 0.66236950292514 1.008 > 17 19 H 0.60625150460258 0.01414129626317 0.33763049707486 1.008 > 19 20 H 0.60625150460258 0.51414129626317 0.33763049707486 1.008 > 19 21 H 0.89374849539742 0.48585870373683 0.83763049707486 1.008 > 21 22 H 0.89374849539742 0.98585870373683 0.83763049707486 1.008 > 21 23 H 0.10625150460258 0.23585870373683 0.16236950292514 1.008 > 23 24 H 0.10625150460258 0.73585870373683 0.16236950292514 1.008 > 23 25 H 0.60625150460258 0.23585870373683 0.33763049707486 1.008 > 25 26 H 0.60625150460258 0.73585870373683 0.33763049707486 1.008 > 25 27 H 0.39374849539742 0.48585870373683 0.66236950292514 1.008 > 27 28 H 0.39374849539742 0.98585870373683 0.66236950292514 1.008 > 27 29 H 0.10625150460258 0.01414129626317 0.16236950292514 1.008 > 29 30 H 0.10625150460258 0.51414129626317 0.16236950292514 1.008 > 29 31 H 0.89374849539742 0.26414129626317 0.83763049707486 1.008 > 31 32 H 0.89374849539742 0.76414129626317 0.83763049707486 1.008 > 31 33 H 0.66865055421669 0.25971354874810 0.96448680443807 1.008 > 33 34 H 0.66865055421669 0.75971354874810 0.96448680443807 1.008 > 33 35 H 0.33134944578330 0.00971354874810 0.03551319556193 1.008 > 35 36 H 0.33134944578330 0.50971354874810 0.03551319556193 1.008 > 35 37 H 0.16865055421670 0.49028645125190 0.53551319556193 1.008 > 37 38 H 0.16865055421670 0.99028645125190 0.53551319556193 1.008 > 37 39 H 0.83134944578331 0.24028645125190 0.46448680443807 1.008 > 39 40 H 0.83134944578331 0.74028645125190 0.46448680443807 1.008 > 39 41 H 0.33134944578330 0.24028645125190 0.03551319556193 1.008 > 41 42 H 0.33134944578330 0.74028645125190 0.03551319556193 1.008 > 41 43 H 0.66865055421669 0.49028645125190 0.96448680443807 1.008 > 43 44 H 0.66865055421669 0.99028645125190 0.96448680443807 1.008 > 43 45 H 0.83134944578331 0.00971354874810 0.46448680443807 1.008 > 45 46 H 0.83134944578331 0.50971354874810 0.46448680443807 1.008 > 45 47 H 0.16865055421670 0.25971354874810 0.53551319556193 1.008 > 47 48 H 0.16865055421670 0.75971354874810 0.53551319556193 1.008 > 47 49 Na 0.71618176393474 0.12500000000000 0.75024810660051 22.990 > 49 50 Na 0.71618176393474 0.62500000000000 0.75024810660051 22.990 > 49 51 Na 0.28381823606526 0.37500000000000 0.24975189339949 22.990 > 51 52 Na 0.28381823606526 0.87500000000000 0.24975189339949 22.990 > 51 53 Na 0.21618176393474 0.12500000000000 0.74975189339949 22.990 > 53 54 Na 0.21618176393474 0.62500000000000 0.74975189339949 22.990 > 53 55 Na 0.78381823606526 0.37500000000000 0.25024810660051 22.990 > 55 56 Na 0.78381823606526 0.87500000000000 0.25024810660051 22.990 > 55 57 Na 0.89475945684040 0.12500000000000 0.03367041500192 22.990 > 57 58 Na 0.89475945684040 0.62500000000000 0.03367041500192 22.990 > 57 59 Na 0.10524054315961 0.37500000000000 0.96632958499808 22.990 > 59 60 Na 0.10524054315961 0.87500000000000 0.96632958499808 22.990 > 59 61 Na 0.39475945684039 0.12500000000000 0.46632958499808 22.990 > 61 62 Na 0.39475945684039 0.62500000000000 0.46632958499808 22.990 > 61 63 Na 0.60524054315960 0.37500000000000 0.53367041500192 22.990 > 63 64 Na 0.60524054315960 0.87500000000000 0.53367041500192 22.990 > 63 65 Na 0.54546295198567 0.12500000000000 0.12705612088323 22.990 > 65 66 Na 0.54546295198567 0.62500000000000 0.12705612088323 22.990 > 65 67 Na 0.45453704801433 0.37500000000000 0.87294387911677 22.990 > 67 68 Na 0.45453704801433 0.87500000000000 0.87294387911677 22.990 > 67 69 Na 0.04546295198567 0.12500000000000 0.37294387911677 22.990 > 69 70 Na 0.04546295198567 0.62500000000000 0.37294387911677 22.990 > 69 71 Na 0.95453704801433 0.37500000000000 0.62705612088323 22.990 > 71 72 Na 0.95453704801433 0.87500000000000 0.62705612088323 22.990 > 71 73 Rh 0.72093866740141 0.12500000000000 0.40016991464916 102.906 > 73 74 Rh 0.72093866740141 0.62500000000000 0.40016991464916 102.906 > 73 75 Rh 0.27906133259859 0.37500000000000 0.59983008535084 102.906 > 75 76 Rh 0.27906133259859 0.87500000000000 0.59983008535084 102.906 > 75 77 Rh 0.22093866740141 0.12500000000000 0.09983008535084 102.906 > 77 78 Rh 0.22093866740141 0.62500000000000 0.09983008535084 102.906 > 77 79 Rh 0.77906133259859 0.37500000000000 0.90016991464916 102.906 > 79 80 Rh 0.77906133259859 0.87500000000000 0.90016991464916 102.906 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5938842 0.0000000 0.0000000 0.0000000 3.6916549 0.0000000 0.0000000 0.0000000 3.4574098 -------------------------- Born effective charges -------------------------- 1 H -0.2440636 0.0000000 0.5715615 0.0000000 0.1182667 0.0000000 0.5274492 0.0000000 -0.8363977 2 H -0.2440636 0.0000000 0.5715615 0.0000000 0.1182667 0.0000000 0.5274492 0.0000000 -0.8363977 3 H -0.2440636 0.0000000 -0.5715615 0.0000000 0.1182667 0.0000000 -0.5274492 0.0000000 -0.8363977 4 H -0.2440636 0.0000000 -0.5715615 0.0000000 0.1182667 0.0000000 -0.5274492 0.0000000 -0.8363977 5 H -0.2792002 0.0000000 0.5874396 0.0000000 0.0802208 0.0000000 0.5267535 0.0000000 -0.7235090 6 H -0.2792002 0.0000000 0.5874396 0.0000000 0.0802208 0.0000000 0.5267535 0.0000000 -0.7235090 7 H -0.2792002 0.0000000 -0.5874396 0.0000000 0.0802208 0.0000000 -0.5267535 0.0000000 -0.7235090 8 H -0.2792002 0.0000000 -0.5874396 0.0000000 0.0802208 0.0000000 -0.5267535 0.0000000 -0.7235090 9 H -0.3746673 0.4895837 -0.2724264 0.5423039 -0.5322466 0.3332865 -0.2419892 0.2532977 -0.0577047 10 H -0.3746673 -0.4895837 -0.2724264 -0.5423039 -0.5322466 -0.3332865 -0.2419892 -0.2532977 -0.0577047 11 H -0.3746673 -0.4895837 0.2724264 -0.5423039 -0.5322466 0.3332865 0.2419892 0.2532977 -0.0577047 12 H -0.3746673 0.4895837 0.2724264 0.5423039 -0.5322466 -0.3332865 0.2419892 -0.2532977 -0.0577047 13 H -0.3746673 0.4895837 -0.2724264 0.5423039 -0.5322466 0.3332865 -0.2419892 0.2532977 -0.0577047 14 H -0.3746673 -0.4895837 -0.2724264 -0.5423039 -0.5322466 -0.3332865 -0.2419892 -0.2532977 -0.0577047 15 H -0.3746673 -0.4895837 0.2724264 -0.5423039 -0.5322466 0.3332865 0.2419892 0.2532977 -0.0577047 16 H -0.3746673 0.4895837 0.2724264 0.5423039 -0.5322466 -0.3332865 0.2419892 -0.2532977 -0.0577047 17 H -0.3728667 -0.5016624 0.2682319 -0.5842010 -0.6262961 0.3585333 0.2473367 0.2980839 -0.0747579 18 H -0.3728667 0.5016624 0.2682319 0.5842010 -0.6262961 -0.3585333 0.2473367 -0.2980839 -0.0747579 19 H -0.3728667 0.5016624 -0.2682319 0.5842010 -0.6262961 0.3585333 -0.2473367 0.2980839 -0.0747579 20 H -0.3728667 -0.5016624 -0.2682319 -0.5842010 -0.6262961 -0.3585333 -0.2473367 -0.2980839 -0.0747579 21 H -0.3728667 -0.5016624 0.2682319 -0.5842010 -0.6262961 0.3585333 0.2473367 0.2980839 -0.0747579 22 H -0.3728667 0.5016624 0.2682319 0.5842010 -0.6262961 -0.3585333 0.2473367 -0.2980839 -0.0747579 23 H -0.3728667 0.5016624 -0.2682319 0.5842010 -0.6262961 0.3585333 -0.2473367 0.2980839 -0.0747579 24 H -0.3728667 -0.5016624 -0.2682319 -0.5842010 -0.6262961 -0.3585333 -0.2473367 -0.2980839 -0.0747579 25 Na 0.7185659 0.0000000 0.1060723 0.0000000 1.2188690 0.0000000 0.1810587 0.0000000 1.1181760 26 Na 0.7185659 0.0000000 0.1060723 0.0000000 1.2188690 0.0000000 0.1810587 0.0000000 1.1181760 27 Na 0.7185659 0.0000000 -0.1060723 0.0000000 1.2188690 0.0000000 -0.1810587 0.0000000 1.1181760 28 Na 0.7185659 0.0000000 -0.1060723 0.0000000 1.2188690 0.0000000 -0.1810587 0.0000000 1.1181760 29 Na 1.0293580 0.0000000 0.0795407 0.0000000 1.0721529 0.0000000 0.0872923 0.0000000 0.8568146 30 Na 1.0293580 0.0000000 0.0795407 0.0000000 1.0721529 0.0000000 0.0872923 0.0000000 0.8568146 31 Na 1.0293580 0.0000000 -0.0795407 0.0000000 1.0721529 0.0000000 -0.0872923 0.0000000 0.8568146 32 Na 1.0293580 0.0000000 -0.0795407 0.0000000 1.0721529 0.0000000 -0.0872923 0.0000000 0.8568146 33 Na 1.2759337 0.0000000 0.0093875 0.0000000 0.8332594 0.0000000 0.0581244 0.0000000 1.0941299 34 Na 1.2759337 0.0000000 0.0093875 0.0000000 0.8332594 0.0000000 0.0581244 0.0000000 1.0941299 35 Na 1.2759337 0.0000000 -0.0093875 0.0000000 0.8332594 0.0000000 -0.0581244 0.0000000 1.0941299 36 Na 1.2759337 0.0000000 -0.0093875 0.0000000 0.8332594 0.0000000 -0.0581244 0.0000000 1.0941299 37 Rh -1.0055258 0.0000000 0.0054091 0.0000000 -1.0056835 0.0000000 -0.0605850 0.0000000 -1.2442888 38 Rh -1.0055258 0.0000000 0.0054091 0.0000000 -1.0056835 0.0000000 -0.0605850 0.0000000 -1.2442888 39 Rh -1.0055258 0.0000000 -0.0054091 0.0000000 -1.0056835 0.0000000 0.0605850 0.0000000 -1.2442888 40 Rh -1.0055258 0.0000000 -0.0054091 0.0000000 -1.0056835 0.0000000 0.0605850 0.0000000 -1.2442888 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 295, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.660 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 13.046 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 13.208 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 13.254 ( 0.000 0.000 0.000) 0.000 13.329 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 19.961 ( 0.000 0.000 0.000) 0.000 20.014 ( 0.000 0.000 0.000) 0.000 20.133 ( 0.000 0.000 0.000) 0.000 20.141 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 20.931 ( 0.000 0.000 0.000) 0.000 20.940 ( 0.000 0.000 0.000) 0.000 20.962 ( 0.000 0.000 0.000) 0.000 20.970 ( 0.000 0.000 0.000) 0.000 20.989 ( 0.000 0.000 0.000) 0.000 21.004 ( 0.000 0.000 0.000) 0.000 21.054 ( 0.000 0.000 0.000) 0.000 22.580 ( 0.000 0.000 0.000) 0.000 22.652 ( 0.000 0.000 0.000) 0.000 22.709 ( 0.000 0.000 0.000) 0.000 22.769 ( 0.000 0.000 0.000) 0.000 23.632 ( 0.000 0.000 0.000) 0.000 23.633 ( 0.000 0.000 0.000) 0.000 23.652 ( 0.000 0.000 0.000) 0.000 23.704 ( 0.000 0.000 0.000) 0.000 24.047 ( 0.000 0.000 0.000) 0.000 24.077 ( 0.000 0.000 0.000) 0.000 24.159 ( 0.000 0.000 0.000) 0.000 24.257 ( 0.000 0.000 0.000) 0.000 24.577 ( 0.000 0.000 0.000) 0.000 24.590 ( 0.000 0.000 0.000) 0.000 24.607 ( 0.000 0.000 0.000) 0.000 24.693 ( 0.000 0.000 0.000) 0.000 26.316 ( 0.000 0.000 0.000) 0.000 26.326 ( 0.000 0.000 0.000) 0.000 26.344 ( 0.000 0.000 0.000) 0.000 26.357 ( 0.000 0.000 0.000) 0.000 28.701 ( 0.000 0.000 0.000) 0.000 28.739 ( 0.000 0.000 0.000) 0.000 28.747 ( 0.000 0.000 0.000) 0.000 28.799 ( 0.000 0.000 0.000) 0.000 46.302 ( 0.000 0.000 0.000) 0.000 46.476 ( 0.000 0.000 0.000) 0.000 46.787 ( 0.000 0.000 0.000) 0.000 47.333 ( 0.000 0.000 0.000) 0.000 48.152 ( 0.000 0.000 0.000) 0.000 48.430 ( 0.000 0.000 0.000) 0.000 48.892 ( 0.000 0.000 0.000) 0.000 49.890 ( 0.000 0.000 0.000) 0.000 50.984 ( 0.000 0.000 0.000) 0.000 51.000 ( 0.000 0.000 0.000) 0.000 52.663 ( 0.000 0.000 0.000) 0.000 52.721 ( 0.000 0.000 0.000) 0.000 56.813 ( 0.000 0.000 0.000) 0.000 56.834 ( 0.000 0.000 0.000) 0.000 56.890 ( 0.000 0.000 0.000) 0.000 56.942 ( 0.000 0.000 0.000) 0.000 57.364 ( 0.000 0.000 0.000) 0.000 57.373 ( 0.000 0.000 0.000) 0.000 57.383 ( 0.000 0.000 0.000) 0.000 57.418 ( 0.000 0.000 0.000) 0.000 60.447 ( 0.000 0.000 0.000) 0.000 60.472 ( 0.000 0.000 0.000) 0.000 60.494 ( 0.000 0.000 0.000) 0.000 60.522 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 20.190 0.000 0.000) 20.190 0.517 ( 22.661 0.000 0.000) 22.661 1.019 ( 42.631 0.000 0.000) 42.631 1.604 ( -13.026 0.000 0.000) 13.026 1.763 ( -14.242 0.000 0.000) 14.242 1.985 ( 3.823 0.000 0.000) 3.823 2.001 ( 4.648 0.000 0.000) 4.648 2.151 ( -0.957 0.000 0.000) 0.957 2.352 ( 9.887 0.000 0.000) 9.887 2.374 ( 4.074 0.000 0.000) 4.074 2.413 ( -4.914 0.000 0.000) 4.914 3.124 ( 0.753 0.000 0.000) 0.753 3.203 ( -0.609 0.000 0.000) 0.609 3.512 ( -3.269 0.000 0.000) 3.269 3.561 ( -2.517 0.000 0.000) 2.517 3.709 ( 2.958 0.000 0.000) 2.958 3.984 ( -0.123 0.000 0.000) 0.123 4.065 ( -1.020 0.000 0.000) 1.020 4.104 ( 7.105 0.000 0.000) 7.105 4.126 ( 4.028 0.000 0.000) 4.028 4.136 ( 0.604 0.000 0.000) 0.604 4.274 ( -2.555 0.000 0.000) 2.555 4.503 ( -4.111 0.000 0.000) 4.111 4.543 ( -7.667 0.000 0.000) 7.667 4.568 ( 6.957 0.000 0.000) 6.957 4.743 ( -15.652 0.000 0.000) 15.652 4.906 ( 8.068 0.000 0.000) 8.068 4.941 ( -6.020 0.000 0.000) 6.020 5.040 ( -7.446 0.000 0.000) 7.446 5.060 ( -10.109 0.000 0.000) 10.109 5.274 ( 2.130 0.000 0.000) 2.130 5.349 ( -7.679 0.000 0.000) 7.679 5.412 ( -6.308 0.000 0.000) 6.308 5.432 ( 2.061 0.000 0.000) 2.061 5.482 ( -0.019 0.000 0.000) 0.019 5.486 ( -0.061 0.000 0.000) 0.061 5.615 ( -2.593 0.000 0.000) 2.593 5.745 ( 4.379 0.000 0.000) 4.379 5.746 ( 2.507 0.000 0.000) 2.507 5.942 ( -1.128 0.000 0.000) 1.128 6.014 ( 1.632 0.000 0.000) 1.632 6.100 ( 11.263 0.000 0.000) 11.263 6.246 ( 6.960 0.000 0.000) 6.960 6.599 ( -2.191 0.000 0.000) 2.191 6.683 ( 9.205 0.000 0.000) 9.205 6.908 ( -2.342 0.000 0.000) 2.342 6.921 ( -3.057 0.000 0.000) 3.057 7.122 ( -0.716 0.000 0.000) 0.716 7.740 ( 2.264 0.000 0.000) 2.264 7.981 ( -3.853 0.000 0.000) 3.853 8.200 ( 6.620 0.000 0.000) 6.620 8.655 ( -4.023 0.000 0.000) 4.023 13.039 ( -0.445 0.000 0.000) 0.445 13.055 ( -0.530 0.000 0.000) 0.530 13.144 ( 0.306 0.000 0.000) 0.306 13.217 ( -1.974 0.000 0.000) 1.974 13.223 ( 1.159 0.000 0.000) 1.159 13.256 ( 0.205 0.000 0.000) 0.205 13.383 ( 3.749 0.000 0.000) 3.749 13.622 ( -1.986 0.000 0.000) 1.986 19.963 ( 0.228 0.000 0.000) 0.228 20.005 ( -0.712 0.000 0.000) 0.712 20.136 ( 0.217 0.000 0.000) 0.217 20.141 ( 0.042 0.000 0.000) 0.042 20.901 ( 0.321 0.000 0.000) 0.321 20.934 ( 0.316 0.000 0.000) 0.316 20.939 ( -0.566 0.000 0.000) 0.566 20.960 ( -0.150 0.000 0.000) 0.150 20.971 ( 0.099 0.000 0.000) 0.099 20.985 ( -0.293 0.000 0.000) 0.293 21.011 ( 0.543 0.000 0.000) 0.543 21.050 ( -0.366 0.000 0.000) 0.366 22.624 ( 0.232 0.000 0.000) 0.232 22.647 ( -0.352 0.000 0.000) 0.352 22.718 ( 0.743 0.000 0.000) 0.743 22.765 ( -0.358 0.000 0.000) 0.358 23.634 ( 0.056 0.000 0.000) 0.056 23.635 ( 0.195 0.000 0.000) 0.195 23.654 ( 0.251 0.000 0.000) 0.251 23.699 ( -0.518 0.000 0.000) 0.518 24.041 ( -0.380 0.000 0.000) 0.380 24.068 ( -0.695 0.000 0.000) 0.695 24.177 ( 1.447 0.000 0.000) 1.447 24.277 ( -0.856 0.000 0.000) 0.856 24.579 ( 0.132 0.000 0.000) 0.132 24.590 ( -0.063 0.000 0.000) 0.063 24.614 ( 0.679 0.000 0.000) 0.679 24.685 ( -0.753 0.000 0.000) 0.753 26.317 ( 0.090 0.000 0.000) 0.090 26.325 ( -0.079 0.000 0.000) 0.079 26.348 ( 0.089 0.000 0.000) 0.089 26.356 ( -0.071 0.000 0.000) 0.071 28.705 ( 0.340 0.000 0.000) 0.340 28.736 ( -0.309 0.000 0.000) 0.309 28.780 ( 0.167 0.000 0.000) 0.167 28.797 ( -0.178 0.000 0.000) 0.178 46.348 ( 4.032 0.000 0.000) 4.032 46.556 ( 7.066 0.000 0.000) 7.066 46.740 ( -4.105 0.000 0.000) 4.105 47.250 ( -7.359 0.000 0.000) 7.359 48.464 ( 3.136 0.000 0.000) 3.136 48.843 ( -4.352 0.000 0.000) 4.352 49.971 ( 6.934 0.000 0.000) 6.934 50.535 ( -5.141 0.000 0.000) 5.141 50.980 ( -0.260 0.000 0.000) 0.260 50.995 ( -0.416 0.000 0.000) 0.416 52.686 ( 2.113 0.000 0.000) 2.113 53.018 ( -5.217 0.000 0.000) 5.217 56.724 ( -5.111 0.000 0.000) 5.111 56.727 ( -4.839 0.000 0.000) 4.839 57.005 ( 5.554 0.000 0.000) 5.554 57.027 ( 4.748 0.000 0.000) 4.748 57.319 ( -1.311 0.000 0.000) 1.311 57.358 ( -1.490 0.000 0.000) 1.490 57.442 ( 3.216 0.000 0.000) 3.216 57.451 ( 2.082 0.000 0.000) 2.082 60.387 ( -2.423 0.000 0.000) 2.423 60.430 ( -3.162 0.000 0.000) 3.162 60.548 ( 3.702 0.000 0.000) 3.702 60.581 ( 2.718 0.000 0.000) 2.718 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 19.042 0.000 0.000) 19.042 0.982 ( 19.664 0.000 0.000) 19.664 1.274 ( -16.735 0.000 0.000) 16.735 1.380 ( -16.063 0.000 0.000) 16.063 1.826 ( 25.169 0.000 0.000) 25.169 2.077 ( 2.532 0.000 0.000) 2.532 2.119 ( 7.770 0.000 0.000) 7.770 2.122 ( -1.663 0.000 0.000) 1.663 2.230 ( -12.185 0.000 0.000) 12.185 2.295 ( -6.545 0.000 0.000) 6.545 2.790 ( 25.144 0.000 0.000) 25.144 3.148 ( 1.422 0.000 0.000) 1.422 3.181 ( -1.381 0.000 0.000) 1.381 3.315 ( -17.547 0.000 0.000) 17.547 3.560 ( 2.822 0.000 0.000) 2.822 3.672 ( -6.238 0.000 0.000) 6.238 3.998 ( 1.354 0.000 0.000) 1.354 4.034 ( -1.708 0.000 0.000) 1.708 4.183 ( 3.467 0.000 0.000) 3.467 4.215 ( 1.792 0.000 0.000) 1.792 4.236 ( 5.890 0.000 0.000) 5.890 4.285 ( 3.948 0.000 0.000) 3.948 4.380 ( -7.110 0.000 0.000) 7.110 4.438 ( -3.601 0.000 0.000) 3.601 4.456 ( -3.742 0.000 0.000) 3.742 4.635 ( -8.464 0.000 0.000) 8.464 4.808 ( 3.847 0.000 0.000) 3.847 4.909 ( -3.731 0.000 0.000) 3.731 4.929 ( -1.304 0.000 0.000) 1.304 5.056 ( -11.321 0.000 0.000) 11.321 5.083 ( 8.068 0.000 0.000) 8.068 5.256 ( -7.631 0.000 0.000) 7.631 5.478 ( 7.340 0.000 0.000) 7.340 5.483 ( 0.057 0.000 0.000) 0.057 5.485 ( -0.065 0.000 0.000) 0.065 5.502 ( 5.673 0.000 0.000) 5.673 5.552 ( -2.753 0.000 0.000) 2.753 5.706 ( -8.013 0.000 0.000) 8.013 5.836 ( 3.695 0.000 0.000) 3.695 5.903 ( -2.403 0.000 0.000) 2.403 6.092 ( 7.825 0.000 0.000) 7.825 6.234 ( -1.500 0.000 0.000) 1.500 6.432 ( 7.309 0.000 0.000) 7.309 6.525 ( -2.431 0.000 0.000) 2.431 6.831 ( -1.021 0.000 0.000) 1.021 6.846 ( -2.700 0.000 0.000) 2.700 6.929 ( 7.923 0.000 0.000) 7.923 7.072 ( -4.297 0.000 0.000) 4.297 7.807 ( 3.709 0.000 0.000) 3.709 7.894 ( -4.047 0.000 0.000) 4.047 8.364 ( 7.943 0.000 0.000) 7.943 8.532 ( -6.988 0.000 0.000) 6.988 13.034 ( 0.057 0.000 0.000) 0.057 13.042 ( -0.572 0.000 0.000) 0.572 13.156 ( 0.780 0.000 0.000) 0.780 13.180 ( -1.416 0.000 0.000) 1.416 13.247 ( 0.890 0.000 0.000) 0.890 13.258 ( -0.134 0.000 0.000) 0.134 13.473 ( 4.239 0.000 0.000) 4.239 13.560 ( -3.544 0.000 0.000) 3.544 19.972 ( 0.540 0.000 0.000) 0.540 19.987 ( -0.819 0.000 0.000) 0.819 20.141 ( 0.140 0.000 0.000) 0.140 20.142 ( 0.000 0.000 0.000) 0.000 20.911 ( 0.577 0.000 0.000) 0.577 20.925 ( -0.699 0.000 0.000) 0.699 20.944 ( 0.488 0.000 0.000) 0.488 20.954 ( -0.415 0.000 0.000) 0.415 20.974 ( 0.187 0.000 0.000) 0.187 20.979 ( -0.258 0.000 0.000) 0.258 21.025 ( 0.668 0.000 0.000) 0.668 21.039 ( -0.608 0.000 0.000) 0.608 22.631 ( 0.345 0.000 0.000) 0.345 22.639 ( -0.373 0.000 0.000) 0.373 22.736 ( 0.855 0.000 0.000) 0.855 22.753 ( -0.663 0.000 0.000) 0.663 23.635 ( 0.087 0.000 0.000) 0.087 23.637 ( -0.015 0.000 0.000) 0.015 23.665 ( 0.744 0.000 0.000) 0.744 23.683 ( -0.826 0.000 0.000) 0.826 24.038 ( 0.228 0.000 0.000) 0.228 24.051 ( -0.810 0.000 0.000) 0.810 24.214 ( 1.771 0.000 0.000) 1.771 24.251 ( -1.488 0.000 0.000) 1.488 24.583 ( 0.204 0.000 0.000) 0.204 24.587 ( -0.182 0.000 0.000) 0.182 24.635 ( 1.183 0.000 0.000) 1.183 24.662 ( -1.207 0.000 0.000) 1.207 26.320 ( 0.137 0.000 0.000) 0.137 26.323 ( -0.131 0.000 0.000) 0.131 26.351 ( 0.136 0.000 0.000) 0.136 26.354 ( -0.125 0.000 0.000) 0.125 28.714 ( 0.538 0.000 0.000) 0.538 28.726 ( -0.519 0.000 0.000) 0.519 28.785 ( 0.279 0.000 0.000) 0.279 28.791 ( -0.285 0.000 0.000) 0.285 46.468 ( 6.569 0.000 0.000) 6.569 46.617 ( -6.580 0.000 0.000) 6.580 46.768 ( 11.546 0.000 0.000) 11.546 47.033 ( -11.762 0.000 0.000) 11.762 48.567 ( 6.104 0.000 0.000) 6.104 48.715 ( -6.831 0.000 0.000) 6.831 50.164 ( 9.959 0.000 0.000) 9.959 50.377 ( -8.889 0.000 0.000) 8.889 50.977 ( 0.079 0.000 0.000) 0.079 50.984 ( -0.489 0.000 0.000) 0.489 52.759 ( 4.572 0.000 0.000) 4.572 52.882 ( -6.414 0.000 0.000) 6.414 56.645 ( -1.838 0.000 0.000) 1.838 56.648 ( -2.056 0.000 0.000) 2.056 57.095 ( 2.371 0.000 0.000) 2.371 57.102 ( 1.741 0.000 0.000) 1.741 57.309 ( 0.313 0.000 0.000) 0.313 57.327 ( -1.202 0.000 0.000) 1.202 57.491 ( 1.210 0.000 0.000) 1.210 57.493 ( 1.146 0.000 0.000) 1.146 60.356 ( -0.280 0.000 0.000) 0.280 60.374 ( -1.813 0.000 0.000) 1.813 60.611 ( 1.808 0.000 0.000) 1.808 60.622 ( 0.805 0.000 0.000) 0.805 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 22.175 0.000) 22.175 0.525 ( 0.000 26.927 0.000) 26.927 0.993 ( 0.000 49.366 0.000) 49.366 1.858 ( 0.000 2.672 0.000) 2.672 2.044 ( 0.000 21.770 0.000) 21.770 2.052 ( 0.000 6.064 0.000) 6.064 2.108 ( 0.000 3.149 0.000) 3.149 2.232 ( 0.000 -19.559 0.000) 19.559 2.233 ( 0.000 21.282 0.000) 21.282 2.304 ( 0.000 13.497 0.000) 13.497 2.385 ( 0.000 3.748 0.000) 3.748 3.294 ( 0.000 4.404 0.000) 4.404 3.391 ( 0.000 2.449 0.000) 2.449 3.434 ( 0.000 -9.511 0.000) 9.511 3.560 ( 0.000 -5.072 0.000) 5.072 3.694 ( 0.000 3.019 0.000) 3.019 3.920 ( 0.000 -4.719 0.000) 4.719 3.962 ( 0.000 -4.836 0.000) 4.836 4.007 ( 0.000 1.655 0.000) 1.655 4.106 ( 0.000 0.662 0.000) 0.662 4.250 ( 0.000 6.485 0.000) 6.485 4.314 ( 0.000 1.982 0.000) 1.982 4.450 ( 0.000 -0.481 0.000) 0.481 4.624 ( 0.000 6.325 0.000) 6.325 4.660 ( 0.000 -6.815 0.000) 6.815 4.956 ( 0.000 -5.819 0.000) 5.819 4.975 ( 0.000 -0.186 0.000) 0.186 5.043 ( 0.000 6.666 0.000) 6.666 5.065 ( 0.000 -3.694 0.000) 3.694 5.068 ( 0.000 -4.510 0.000) 4.510 5.233 ( 0.000 1.451 0.000) 1.451 5.344 ( 0.000 -9.513 0.000) 9.513 5.398 ( 0.000 -8.399 0.000) 8.399 5.398 ( 0.000 0.113 0.000) 0.113 5.541 ( 0.000 -1.136 0.000) 1.136 5.595 ( 0.000 -5.567 0.000) 5.567 5.609 ( 0.000 -0.867 0.000) 0.867 5.647 ( 0.000 4.703 0.000) 4.703 5.783 ( 0.000 -3.095 0.000) 3.095 5.831 ( 0.000 -7.977 0.000) 7.977 5.941 ( 0.000 1.340 0.000) 1.340 5.949 ( 0.000 -1.403 0.000) 1.403 6.178 ( 0.000 -1.586 0.000) 1.586 6.535 ( 0.000 -1.863 0.000) 1.863 6.669 ( 0.000 3.861 0.000) 3.861 6.842 ( 0.000 3.341 0.000) 3.341 6.932 ( 0.000 -0.455 0.000) 0.455 6.950 ( 0.000 -0.667 0.000) 0.667 7.826 ( 0.000 10.504 0.000) 10.504 8.111 ( 0.000 5.501 0.000) 5.501 8.149 ( 0.000 5.330 0.000) 5.330 8.723 ( 0.000 2.187 0.000) 2.187 13.083 ( 0.000 0.188 0.000) 0.188 13.147 ( 0.000 8.404 0.000) 8.404 13.189 ( 0.000 -3.039 0.000) 3.039 13.198 ( 0.000 6.992 0.000) 6.992 13.279 ( 0.000 6.920 0.000) 6.920 13.306 ( 0.000 -2.210 0.000) 2.210 13.368 ( 0.000 8.263 0.000) 8.263 13.586 ( 0.000 -2.883 0.000) 2.883 19.982 ( 0.000 2.036 0.000) 2.036 20.143 ( 0.000 0.943 0.000) 0.943 20.149 ( 0.000 0.775 0.000) 0.775 20.151 ( 0.000 0.999 0.000) 0.999 20.879 ( 0.000 -1.706 0.000) 1.706 20.904 ( 0.000 -2.203 0.000) 2.203 20.927 ( 0.000 -1.299 0.000) 1.299 20.948 ( 0.000 -1.369 0.000) 1.369 20.989 ( 0.000 1.460 0.000) 1.460 20.997 ( 0.000 0.715 0.000) 0.715 21.015 ( 0.000 0.323 0.000) 0.323 21.061 ( 0.000 0.581 0.000) 0.581 22.560 ( 0.000 -1.966 0.000) 1.966 22.628 ( 0.000 -2.413 0.000) 2.413 22.682 ( 0.000 -2.623 0.000) 2.623 22.743 ( 0.000 -2.560 0.000) 2.560 23.634 ( 0.000 0.101 0.000) 0.101 23.653 ( 0.000 0.122 0.000) 0.122 23.654 ( 0.000 0.055 0.000) 0.055 23.700 ( 0.000 -0.388 0.000) 0.388 24.049 ( 0.000 0.173 0.000) 0.173 24.081 ( 0.000 0.479 0.000) 0.479 24.157 ( 0.000 -0.194 0.000) 0.194 24.252 ( 0.000 -0.535 0.000) 0.535 24.593 ( 0.000 0.264 0.000) 0.264 24.609 ( 0.000 0.157 0.000) 0.157 24.691 ( 0.000 -0.106 0.000) 0.106 24.695 ( 0.000 0.125 0.000) 0.125 26.302 ( 0.000 -1.433 0.000) 1.433 26.312 ( 0.000 -1.423 0.000) 1.423 26.329 ( 0.000 -1.498 0.000) 1.498 26.340 ( 0.000 -1.613 0.000) 1.613 28.696 ( 0.000 -0.423 0.000) 0.423 28.734 ( 0.000 -0.494 0.000) 0.494 28.740 ( 0.000 -0.697 0.000) 0.697 28.791 ( 0.000 -0.804 0.000) 0.804 46.585 ( 0.000 10.160 0.000) 10.160 46.927 ( 0.000 13.622 0.000) 13.622 47.449 ( 0.000 9.221 0.000) 9.221 48.026 ( 0.000 -10.214 0.000) 10.214 48.286 ( 0.000 -14.123 0.000) 14.123 48.556 ( 0.000 -28.839 0.000) 28.839 49.657 ( 0.000 -22.058 0.000) 22.058 49.751 ( 0.000 9.639 0.000) 9.639 50.996 ( 0.000 1.726 0.000) 1.726 51.031 ( 0.000 3.366 0.000) 3.366 52.571 ( 0.000 -8.398 0.000) 8.398 52.623 ( 0.000 -9.263 0.000) 9.263 56.841 ( 0.000 -7.409 0.000) 7.409 56.867 ( 0.000 2.655 0.000) 2.655 56.887 ( 0.000 -0.121 0.000) 0.121 56.899 ( 0.000 6.741 0.000) 6.741 57.382 ( 0.000 0.886 0.000) 0.886 57.409 ( 0.000 3.962 0.000) 3.962 57.416 ( 0.000 3.709 0.000) 3.709 57.525 ( 0.000 7.968 0.000) 7.968 60.448 ( 0.000 0.147 0.000) 0.147 60.465 ( 0.000 -0.691 0.000) 0.691 60.485 ( 0.000 -0.842 0.000) 0.842 60.520 ( 0.000 -0.236 0.000) 0.236 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 15.064 18.409 0.000) 23.787 0.913 ( 18.971 22.725 0.000) 29.602 1.234 ( 26.939 28.777 0.000) 39.419 1.800 ( -12.919 5.059 0.000) 13.874 1.805 ( -8.252 15.771 0.000) 17.800 1.988 ( -0.863 0.815 0.000) 1.187 2.150 ( 1.122 6.394 0.000) 6.492 2.289 ( 1.367 9.682 0.000) 9.778 2.357 ( 9.908 3.925 0.000) 10.657 2.363 ( 2.370 6.155 0.000) 6.596 2.391 ( 0.049 3.633 0.000) 3.634 3.271 ( -2.369 3.986 0.000) 4.637 3.285 ( -3.668 9.522 0.000) 10.205 3.416 ( -1.799 -8.185 0.000) 8.381 3.521 ( -1.848 -3.771 0.000) 4.199 3.746 ( 3.194 3.370 0.000) 4.643 3.959 ( 0.111 -8.069 0.000) 8.070 3.983 ( 3.384 -5.460 0.000) 6.423 4.015 ( 0.552 3.010 0.000) 3.060 4.110 ( 0.552 -1.222 0.000) 1.341 4.280 ( 2.697 6.466 0.000) 7.006 4.295 ( -0.740 2.875 0.000) 2.969 4.545 ( 5.868 -0.003 0.000) 5.868 4.564 ( -6.001 4.589 0.000) 7.555 4.673 ( -7.966 1.921 0.000) 8.195 4.715 ( -3.257 -7.102 0.000) 7.813 4.742 ( -14.902 0.340 0.000) 14.906 4.937 ( -0.982 -2.160 0.000) 2.373 5.018 ( -7.593 -2.460 0.000) 7.981 5.068 ( -5.357 -1.465 0.000) 5.554 5.182 ( -1.659 -7.710 0.000) 7.886 5.255 ( -6.662 -7.888 0.000) 10.325 5.405 ( -1.275 -1.820 0.000) 2.222 5.411 ( -5.107 -4.675 0.000) 6.924 5.455 ( 0.149 2.276 0.000) 2.281 5.488 ( 1.870 -0.347 0.000) 1.902 5.589 ( -2.646 -2.830 0.000) 3.874 5.725 ( 3.996 -1.359 0.000) 4.221 5.764 ( 3.695 -0.507 0.000) 3.730 5.929 ( 2.863 -1.771 0.000) 3.366 5.998 ( 3.425 -1.649 0.000) 3.801 6.119 ( 11.169 1.144 0.000) 11.228 6.342 ( 4.810 5.201 0.000) 7.084 6.591 ( -1.911 -4.582 0.000) 4.964 6.692 ( 7.150 4.400 0.000) 8.396 6.893 ( -1.607 -1.795 0.000) 2.409 6.915 ( -2.750 -0.302 0.000) 2.767 6.972 ( 4.683 -7.373 0.000) 8.734 7.845 ( 1.694 9.896 0.000) 10.040 8.041 ( -3.519 5.914 0.000) 6.882 8.251 ( 6.310 4.916 0.000) 7.999 8.681 ( -3.797 2.435 0.000) 4.511 13.082 ( 0.168 1.035 0.000) 1.049 13.141 ( -0.598 8.349 0.000) 8.370 13.165 ( -1.477 -2.868 0.000) 3.226 13.173 ( -1.400 6.194 0.000) 6.351 13.304 ( 1.780 7.414 0.000) 7.625 13.349 ( 2.890 0.029 0.000) 2.890 13.371 ( 0.571 5.835 0.000) 5.863 13.578 ( -1.381 -3.617 0.000) 3.872 19.985 ( 0.291 2.091 0.000) 2.112 20.070 ( -3.474 3.959 0.000) 5.267 20.148 ( 0.151 1.094 0.000) 1.104 20.152 ( 0.033 0.987 0.000) 0.988 20.883 ( 0.337 -1.688 0.000) 1.721 20.908 ( 0.354 -2.164 0.000) 2.193 20.923 ( -0.467 -1.488 0.000) 1.560 20.943 ( -0.359 -1.545 0.000) 1.587 20.990 ( 0.066 1.425 0.000) 1.427 20.995 ( -0.128 0.854 0.000) 0.863 21.018 ( 0.432 0.533 0.000) 0.686 21.057 ( -0.370 0.577 0.000) 0.685 22.586 ( 1.190 -3.028 0.000) 3.253 22.623 ( -0.355 -2.410 0.000) 2.436 22.692 ( 0.752 -2.613 0.000) 2.719 22.739 ( -0.362 -2.562 0.000) 2.588 23.635 ( 0.077 0.124 0.000) 0.146 23.644 ( -0.310 0.480 0.000) 0.572 23.657 ( 0.256 0.225 0.000) 0.341 23.696 ( -0.431 -0.287 0.000) 0.518 24.043 ( -0.328 0.246 0.000) 0.410 24.073 ( -0.713 0.452 0.000) 0.844 24.174 ( 1.352 -0.315 0.000) 1.388 24.258 ( -0.113 -1.204 0.000) 1.210 24.593 ( -0.017 0.282 0.000) 0.282 24.617 ( 0.723 0.226 0.000) 0.757 24.628 ( -2.523 2.542 0.000) 3.582 24.688 ( -0.753 0.327 0.000) 0.821 26.303 ( 0.085 -1.439 0.000) 1.442 26.311 ( -0.085 -1.430 0.000) 1.433 26.332 ( 0.151 -1.574 0.000) 1.581 26.340 ( -0.058 -1.599 0.000) 1.600 28.700 ( 0.331 -0.434 0.000) 0.546 28.731 ( -0.305 -0.490 0.000) 0.578 28.759 ( 0.872 -1.462 0.000) 1.702 28.788 ( -0.201 -0.825 0.000) 0.849 46.671 ( 7.572 10.657 0.000) 13.073 46.890 ( -3.098 14.629 0.000) 14.954 46.989 ( -26.417 32.372 0.000) 41.783 47.441 ( -10.085 21.185 0.000) 23.463 48.320 ( 3.095 -14.022 0.000) 14.360 48.664 ( -2.217 -19.308 0.000) 19.435 49.701 ( 3.761 -25.558 0.000) 25.833 49.927 ( 2.922 -39.580 0.000) 39.688 50.995 ( 0.004 2.051 0.000) 2.051 51.024 ( -0.615 3.293 0.000) 3.350 52.588 ( 1.632 -8.857 0.000) 9.006 52.783 ( 2.729 -16.043 0.000) 16.273 56.790 ( -2.445 1.685 0.000) 2.969 56.830 ( -2.135 5.528 0.000) 5.925 56.960 ( 3.375 -0.986 0.000) 3.517 57.019 ( 4.347 -0.582 0.000) 4.386 57.384 ( 1.769 4.657 0.000) 4.982 57.426 ( 0.859 4.424 0.000) 4.507 57.461 ( 2.480 3.080 0.000) 3.955 57.530 ( 0.285 7.333 0.000) 7.338 60.387 ( -2.302 0.137 0.000) 2.306 60.428 ( -2.918 -0.164 0.000) 2.923 60.539 ( 3.479 -0.876 0.000) 3.588 60.573 ( 2.556 -0.804 0.000) 2.680 ======================= Grid point 7 (6/54) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 16.645 10.696 0.000) 19.785 1.219 ( 13.133 26.291 0.000) 29.388 1.438 ( -14.420 6.349 0.000) 15.756 1.528 ( -14.276 19.596 0.000) 24.245 1.910 ( 21.063 10.529 0.000) 23.548 2.089 ( 7.266 -1.669 0.000) 7.455 2.167 ( -1.160 8.183 0.000) 8.265 2.288 ( -2.010 11.837 0.000) 12.007 2.292 ( -5.483 3.230 0.000) 6.363 2.333 ( -3.872 11.692 0.000) 12.317 2.719 ( 20.953 -4.677 0.000) 21.469 3.133 ( -12.590 -4.183 0.000) 13.267 3.287 ( 2.721 10.829 0.000) 11.165 3.356 ( -3.161 2.806 0.000) 4.227 3.532 ( 3.744 -2.626 0.000) 4.573 3.696 ( -8.813 3.039 0.000) 9.323 4.005 ( 1.826 -6.204 0.000) 6.467 4.013 ( -0.076 -2.691 0.000) 2.692 4.028 ( 3.137 -1.377 0.000) 3.426 4.116 ( -1.686 -5.728 0.000) 5.971 4.304 ( 2.425 1.489 0.000) 2.846 4.365 ( 4.553 5.281 0.000) 6.972 4.424 ( -3.740 -3.090 0.000) 4.851 4.483 ( -4.576 6.671 0.000) 8.089 4.487 ( -5.764 4.595 0.000) 7.371 4.582 ( -8.719 -6.221 0.000) 10.711 4.760 ( 8.919 -3.025 0.000) 9.418 4.890 ( -3.316 -2.199 0.000) 3.979 4.923 ( -2.261 -0.786 0.000) 2.394 5.016 ( -10.021 -3.264 0.000) 10.539 5.029 ( 4.908 -4.327 0.000) 6.543 5.153 ( -5.053 -8.772 0.000) 10.124 5.350 ( -0.861 -9.077 0.000) 9.118 5.355 ( -1.283 -6.336 0.000) 6.465 5.503 ( 2.848 0.978 0.000) 3.011 5.553 ( -1.712 -0.685 0.000) 1.844 5.610 ( 7.630 4.612 0.000) 8.916 5.760 ( -4.285 0.240 0.000) 4.292 5.818 ( 4.416 -1.520 0.000) 4.670 5.927 ( -5.251 3.040 0.000) 6.067 6.099 ( 9.017 0.021 0.000) 9.017 6.256 ( -1.761 1.575 0.000) 2.362 6.463 ( 5.401 2.714 0.000) 6.045 6.522 ( -1.446 -0.958 0.000) 1.735 6.816 ( -0.462 -1.316 0.000) 1.395 6.833 ( -2.794 -1.213 0.000) 3.046 6.912 ( 5.608 -0.736 0.000) 5.656 7.008 ( -1.687 -5.054 0.000) 5.328 7.896 ( 2.865 8.485 0.000) 8.956 7.966 ( -3.369 6.949 0.000) 7.722 8.406 ( 7.485 4.072 0.000) 8.521 8.564 ( -6.580 3.126 0.000) 7.285 13.093 ( 0.838 1.800 0.000) 1.985 13.118 ( -1.326 3.470 0.000) 3.715 13.146 ( -0.227 2.308 0.000) 2.319 13.151 ( -0.628 4.581 0.000) 4.624 13.341 ( 1.388 8.057 0.000) 8.175 13.361 ( -0.477 8.600 0.000) 8.614 13.440 ( 4.075 -3.185 0.000) 5.172 13.524 ( -3.360 -3.359 0.000) 4.751 19.996 ( 0.739 2.302 0.000) 2.418 20.019 ( -1.516 2.894 0.000) 3.267 20.151 ( 0.105 0.999 0.000) 1.005 20.152 ( 0.000 0.971 0.000) 0.971 20.894 ( 0.613 -1.628 0.000) 1.740 20.909 ( -0.741 -1.536 0.000) 1.705 20.919 ( 0.593 -2.041 0.000) 2.125 20.932 ( -0.607 -1.828 0.000) 1.926 20.992 ( 0.082 1.305 0.000) 1.308 20.993 ( -0.059 1.090 0.000) 1.091 21.031 ( 0.669 0.542 0.000) 0.861 21.045 ( -0.617 0.563 0.000) 0.835 22.604 ( 0.581 -2.614 0.000) 2.678 22.614 ( -0.419 -2.434 0.000) 2.469 22.711 ( 0.867 -2.594 0.000) 2.735 22.728 ( -0.672 -2.574 0.000) 2.660 23.637 ( 0.125 0.185 0.000) 0.223 23.640 ( -0.119 0.282 0.000) 0.306 23.667 ( 0.655 0.143 0.000) 0.670 23.683 ( -0.715 -0.067 0.000) 0.718 24.042 ( 0.266 0.347 0.000) 0.437 24.054 ( -0.830 0.409 0.000) 0.925 24.209 ( 1.644 -0.549 0.000) 1.733 24.241 ( -1.244 -0.848 0.000) 1.506 24.593 ( 0.059 0.540 0.000) 0.543 24.598 ( -0.558 1.289 0.000) 1.405 24.638 ( 1.204 0.289 0.000) 1.238 24.666 ( -1.222 0.322 0.000) 1.263 26.305 ( 0.137 -1.446 0.000) 1.452 26.308 ( -0.135 -1.441 0.000) 1.448 26.335 ( 0.142 -1.557 0.000) 1.563 26.338 ( -0.112 -1.570 0.000) 1.574 28.710 ( 0.527 -0.456 0.000) 0.697 28.722 ( -0.511 -0.477 0.000) 0.699 28.773 ( 0.481 -1.111 0.000) 1.211 28.782 ( -0.354 -0.905 0.000) 0.972 46.746 ( -1.262 22.237 0.000) 22.272 46.791 ( -3.216 14.370 0.000) 14.725 46.913 ( 11.654 15.545 0.000) 19.428 47.195 ( -12.714 16.812 0.000) 21.079 48.419 ( 5.818 -14.176 0.000) 15.323 48.558 ( -6.296 -15.202 0.000) 16.454 49.803 ( 5.057 -33.845 0.000) 34.221 49.903 ( -3.601 -41.694 0.000) 41.849 50.998 ( 0.286 2.854 0.000) 2.868 51.008 ( -0.673 3.187 0.000) 3.257 52.646 ( 3.622 -10.154 0.000) 10.781 52.739 ( -4.371 -12.333 0.000) 13.084 56.760 ( -0.151 6.576 0.000) 6.578 56.782 ( -1.915 8.030 0.000) 8.256 57.022 ( 2.153 -2.477 0.000) 3.282 57.051 ( -0.395 -1.114 0.000) 1.182 57.434 ( 1.860 9.441 0.000) 9.622 57.446 ( 0.583 7.063 0.000) 7.087 57.503 ( 1.474 1.332 0.000) 1.987 57.528 ( -0.664 4.595 0.000) 4.643 60.359 ( -0.217 0.314 0.000) 0.381 60.376 ( -1.703 0.247 0.000) 1.720 60.599 ( 1.780 -1.172 0.000) 2.132 60.611 ( 0.708 -1.088 0.000) 1.298 ======================= Grid point 10 (7/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.000 24.143 0.000) 24.143 1.050 ( 0.000 26.796 0.000) 26.796 1.821 ( 0.000 -20.629 0.000) 20.629 1.888 ( 0.000 40.782 0.000) 40.782 1.953 ( 0.000 5.073 0.000) 5.073 2.190 ( 0.000 7.029 0.000) 7.029 2.193 ( 0.000 5.276 0.000) 5.276 2.521 ( 0.000 11.107 0.000) 11.107 2.543 ( 0.000 26.366 0.000) 26.366 2.632 ( 0.000 18.708 0.000) 18.708 2.679 ( 0.000 21.285 0.000) 21.285 3.261 ( 0.000 -4.769 0.000) 4.769 3.316 ( 0.000 -1.151 0.000) 1.151 3.389 ( 0.000 -7.972 0.000) 7.972 3.491 ( 0.000 3.588 0.000) 3.588 3.651 ( 0.000 -7.756 0.000) 7.756 3.816 ( 0.000 -5.936 0.000) 5.936 4.010 ( 0.000 8.514 0.000) 8.514 4.061 ( 0.000 3.892 0.000) 3.892 4.073 ( 0.000 -3.561 0.000) 3.561 4.357 ( 0.000 4.377 0.000) 4.377 4.387 ( 0.000 4.890 0.000) 4.890 4.435 ( 0.000 -1.068 0.000) 1.068 4.541 ( 0.000 -5.039 0.000) 5.039 4.700 ( 0.000 -0.236 0.000) 0.236 4.795 ( 0.000 -9.460 0.000) 9.460 4.949 ( 0.000 -7.016 0.000) 7.016 4.995 ( 0.000 1.141 0.000) 1.141 4.997 ( 0.000 -3.388 0.000) 3.388 5.125 ( 0.000 0.256 0.000) 0.256 5.160 ( 0.000 -8.336 0.000) 8.336 5.214 ( 0.000 -8.427 0.000) 8.427 5.286 ( 0.000 1.481 0.000) 1.481 5.315 ( 0.000 -5.881 0.000) 5.881 5.516 ( 0.000 -0.794 0.000) 0.794 5.565 ( 0.000 -4.636 0.000) 4.636 5.582 ( 0.000 4.105 0.000) 4.105 5.673 ( 0.000 -6.881 0.000) 6.881 5.683 ( 0.000 -5.695 0.000) 5.695 5.711 ( 0.000 1.928 0.000) 1.928 5.906 ( 0.000 -2.594 0.000) 2.594 5.913 ( 0.000 -4.393 0.000) 4.393 6.167 ( 0.000 0.267 0.000) 0.267 6.419 ( 0.000 -8.346 0.000) 8.346 6.808 ( 0.000 8.321 0.000) 8.321 6.909 ( 0.000 2.975 0.000) 2.975 6.925 ( 0.000 -0.252 0.000) 0.252 6.948 ( 0.000 0.728 0.000) 0.728 8.078 ( 0.000 14.343 0.000) 14.343 8.251 ( 0.000 8.187 0.000) 8.187 8.283 ( 0.000 7.791 0.000) 7.791 8.776 ( 0.000 2.928 0.000) 2.928 13.072 ( 0.000 -0.840 0.000) 0.840 13.125 ( 0.000 -3.470 0.000) 3.470 13.230 ( 0.000 -3.717 0.000) 3.717 13.387 ( 0.000 13.768 0.000) 13.768 13.402 ( 0.000 13.030 0.000) 13.030 13.419 ( 0.000 2.366 0.000) 2.366 13.550 ( 0.000 3.949 0.000) 3.949 13.570 ( 0.000 12.001 0.000) 12.001 20.036 ( 0.000 3.321 0.000) 3.321 20.168 ( 0.000 1.488 0.000) 1.488 20.170 ( 0.000 1.283 0.000) 1.283 20.176 ( 0.000 1.471 0.000) 1.471 20.835 ( 0.000 -2.717 0.000) 2.717 20.853 ( 0.000 -2.982 0.000) 2.982 20.892 ( 0.000 -2.159 0.000) 2.159 20.910 ( 0.000 -2.376 0.000) 2.376 21.014 ( 0.000 0.959 0.000) 0.959 21.019 ( 0.000 1.598 0.000) 1.598 21.023 ( 0.000 0.501 0.000) 0.501 21.074 ( 0.000 0.678 0.000) 0.678 22.508 ( 0.000 -3.085 0.000) 3.085 22.563 ( 0.000 -3.991 0.000) 3.991 22.612 ( 0.000 -4.420 0.000) 4.420 22.673 ( 0.000 -4.481 0.000) 4.481 23.637 ( 0.000 0.184 0.000) 0.184 23.655 ( 0.000 0.114 0.000) 0.114 23.656 ( 0.000 0.190 0.000) 0.190 23.690 ( 0.000 -0.632 0.000) 0.632 24.055 ( 0.000 0.451 0.000) 0.451 24.095 ( 0.000 0.878 0.000) 0.878 24.152 ( 0.000 -0.397 0.000) 0.397 24.237 ( 0.000 -0.949 0.000) 0.949 24.599 ( 0.000 0.339 0.000) 0.339 24.612 ( 0.000 0.148 0.000) 0.148 24.689 ( 0.000 -0.102 0.000) 0.102 24.697 ( 0.000 0.121 0.000) 0.121 26.264 ( 0.000 -2.359 0.000) 2.359 26.274 ( 0.000 -2.348 0.000) 2.348 26.289 ( 0.000 -2.542 0.000) 2.542 26.297 ( 0.000 -2.678 0.000) 2.678 28.685 ( 0.000 -0.668 0.000) 0.668 28.721 ( 0.000 -0.769 0.000) 0.769 28.722 ( 0.000 -1.151 0.000) 1.151 28.769 ( 0.000 -1.352 0.000) 1.352 46.796 ( 0.000 8.797 0.000) 8.797 47.243 ( 0.000 14.284 0.000) 14.284 47.381 ( 0.000 -19.698 0.000) 19.698 47.904 ( 0.000 -35.993 0.000) 35.993 47.954 ( 0.000 -15.232 0.000) 15.232 48.077 ( 0.000 19.363 0.000) 19.363 49.157 ( 0.000 -25.019 0.000) 25.019 49.877 ( 0.000 2.646 0.000) 2.646 51.073 ( 0.000 6.473 0.000) 6.473 51.137 ( 0.000 7.504 0.000) 7.504 52.381 ( 0.000 -10.363 0.000) 10.363 52.397 ( 0.000 -13.001 0.000) 13.001 56.733 ( 0.000 -2.737 0.000) 2.737 56.893 ( 0.000 0.934 0.000) 0.934 56.928 ( 0.000 3.378 0.000) 3.378 56.999 ( 0.000 3.050 0.000) 3.050 57.398 ( 0.000 0.405 0.000) 0.405 57.480 ( 0.000 2.372 0.000) 2.372 57.518 ( 0.000 5.272 0.000) 5.272 57.644 ( 0.000 3.094 0.000) 3.094 60.449 ( 0.000 -0.830 0.000) 0.830 60.451 ( 0.000 0.105 0.000) 0.105 60.466 ( 0.000 -0.906 0.000) 0.906 60.514 ( 0.000 -0.419 0.000) 0.419 ======================= Grid point 11 (8/54) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 7.489 22.315 0.000) 23.538 1.252 ( 24.829 17.249 0.000) 30.233 1.795 ( -1.296 -13.805 0.000) 13.866 1.943 ( -7.037 11.955 0.000) 13.872 1.957 ( 1.907 33.089 0.000) 33.144 2.022 ( 4.955 6.261 0.000) 7.985 2.336 ( 5.202 0.760 0.000) 5.257 2.498 ( -2.508 25.716 0.000) 25.838 2.537 ( -0.800 12.614 0.000) 12.640 2.644 ( 1.533 17.596 0.000) 17.663 2.670 ( -1.729 16.943 0.000) 17.031 3.245 ( -2.919 -4.258 0.000) 5.163 3.339 ( 2.391 1.577 0.000) 2.864 3.370 ( 0.573 -3.971 0.000) 4.013 3.478 ( -0.512 3.354 0.000) 3.393 3.704 ( 4.492 -8.893 0.000) 9.964 3.878 ( 3.478 -5.513 0.000) 6.519 3.935 ( -5.165 5.864 0.000) 7.815 4.065 ( -0.246 -2.691 0.000) 2.702 4.105 ( 2.136 6.184 0.000) 6.543 4.360 ( -0.978 2.678 0.000) 2.851 4.375 ( 1.530 3.128 0.000) 3.483 4.491 ( -2.603 -8.221 0.000) 8.624 4.552 ( 6.628 -0.001 0.000) 6.628 4.606 ( -10.683 -0.566 0.000) 10.698 4.736 ( -8.867 -2.383 0.000) 9.181 4.759 ( -10.883 -0.622 0.000) 10.901 4.896 ( -2.611 -1.570 0.000) 3.046 4.953 ( -9.744 -2.853 0.000) 10.153 5.011 ( -2.567 -9.640 0.000) 9.976 5.016 ( -5.046 -3.270 0.000) 6.013 5.099 ( -4.616 -6.464 0.000) 7.943 5.318 ( -1.187 -6.659 0.000) 6.764 5.332 ( -9.151 -3.591 0.000) 9.830 5.499 ( 8.661 2.689 0.000) 9.069 5.516 ( -1.677 -3.852 0.000) 4.201 5.519 ( -1.965 3.551 0.000) 4.059 5.700 ( 1.501 -1.302 0.000) 1.987 5.712 ( 1.989 -4.530 0.000) 4.948 5.848 ( 8.357 -6.385 0.000) 10.517 5.983 ( 5.160 0.468 0.000) 5.181 6.116 ( 12.257 -1.776 0.000) 12.386 6.371 ( 10.245 -1.013 0.000) 10.295 6.442 ( 0.541 -9.450 0.000) 9.466 6.814 ( 0.602 6.415 0.000) 6.443 6.871 ( -2.196 0.398 0.000) 2.232 6.918 ( -0.462 -0.415 0.000) 0.622 6.926 ( -1.473 1.746 0.000) 2.284 8.085 ( 0.621 13.720 0.000) 13.734 8.192 ( -2.690 8.961 0.000) 9.356 8.373 ( 5.510 7.018 0.000) 8.922 8.740 ( -3.233 3.302 0.000) 4.621 13.070 ( -0.138 -1.124 0.000) 1.133 13.104 ( -1.368 -3.141 0.000) 3.426 13.270 ( 2.989 -3.795 0.000) 4.831 13.378 ( -1.289 12.375 0.000) 12.442 13.381 ( -0.475 13.336 0.000) 13.344 13.434 ( 0.347 0.310 0.000) 0.465 13.552 ( 0.134 6.817 0.000) 6.818 13.572 ( 0.097 12.090 0.000) 12.090 20.040 ( 0.376 3.345 0.000) 3.366 20.131 ( -2.404 2.539 0.000) 3.496 20.174 ( 0.099 1.492 0.000) 1.496 20.177 ( 0.009 1.454 0.000) 1.454 20.839 ( 0.386 -2.682 0.000) 2.710 20.857 ( 0.427 -2.943 0.000) 2.974 20.886 ( -0.576 -2.287 0.000) 2.359 20.904 ( -0.566 -2.455 0.000) 2.520 21.014 ( 0.044 1.046 0.000) 1.047 21.019 ( -0.005 1.556 0.000) 1.556 21.029 ( 0.513 0.605 0.000) 0.793 21.070 ( -0.375 0.680 0.000) 0.777 22.521 ( 0.879 -3.521 0.000) 3.629 22.559 ( -0.327 -3.949 0.000) 3.962 22.621 ( 0.756 -4.430 0.000) 4.495 22.669 ( -0.360 -4.471 0.000) 4.485 23.638 ( 0.131 0.223 0.000) 0.259 23.651 ( -0.219 0.295 0.000) 0.367 23.661 ( 0.284 0.179 0.000) 0.336 23.688 ( -0.218 -0.481 0.000) 0.528 24.051 ( -0.199 0.558 0.000) 0.593 24.086 ( -0.753 0.864 0.000) 1.146 24.165 ( 1.111 -0.586 0.000) 1.256 24.235 ( -0.270 -1.164 0.000) 1.195 24.600 ( 0.096 0.388 0.000) 0.399 24.621 ( 0.803 0.216 0.000) 0.831 24.658 ( -1.931 0.831 0.000) 2.102 24.694 ( -0.643 0.167 0.000) 0.664 26.264 ( 0.076 -2.362 0.000) 2.364 26.273 ( -0.097 -2.357 0.000) 2.359 26.290 ( 0.125 -2.577 0.000) 2.580 26.297 ( -0.031 -2.662 0.000) 2.662 28.689 ( 0.311 -0.680 0.000) 0.747 28.718 ( -0.295 -0.763 0.000) 0.818 28.731 ( 0.695 -1.425 0.000) 1.586 28.766 ( -0.242 -1.372 0.000) 1.393 46.891 ( 7.934 9.100 0.000) 12.073 47.200 ( -10.593 -6.268 0.000) 12.309 47.223 ( -1.195 14.261 0.000) 14.311 47.857 ( -7.369 2.601 0.000) 7.814 48.002 ( 4.149 -13.542 0.000) 14.163 48.147 ( 5.291 -15.346 0.000) 16.232 49.123 ( -2.805 -28.815 0.000) 28.952 49.511 ( -23.424 -4.420 0.000) 23.837 51.072 ( 0.492 6.020 0.000) 6.040 51.131 ( -0.497 7.671 0.000) 7.687 52.387 ( 0.695 -10.972 0.000) 10.994 52.477 ( 2.859 -15.319 0.000) 15.583 56.746 ( 1.217 -2.210 0.000) 2.523 56.904 ( -2.133 2.456 0.000) 3.253 56.996 ( 6.006 -0.466 0.000) 6.024 57.020 ( 1.787 3.316 0.000) 3.767 57.437 ( 3.874 1.249 0.000) 4.070 57.525 ( 0.787 4.757 0.000) 4.822 57.539 ( 3.710 2.687 0.000) 4.581 57.649 ( 0.161 3.483 0.000) 3.486 60.393 ( -1.931 0.498 0.000) 1.994 60.426 ( -2.241 0.038 0.000) 2.242 60.517 ( 2.905 -1.248 0.000) 3.162 60.552 ( 2.074 -1.219 0.000) 2.406 ======================= Grid point 12 (9/54) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 10.557 13.379 0.000) 17.042 1.547 ( -2.894 9.282 0.000) 9.722 1.734 ( -2.236 20.013 0.000) 20.138 1.765 ( -1.779 5.170 0.000) 5.467 2.163 ( 7.899 6.301 0.000) 10.105 2.224 ( 10.175 13.757 0.000) 17.111 2.413 ( -2.123 16.538 0.000) 16.674 2.446 ( -2.939 21.643 0.000) 21.842 2.500 ( 4.561 3.365 0.000) 5.668 2.609 ( -3.453 13.658 0.000) 14.088 2.744 ( 9.838 11.122 0.000) 14.849 3.067 ( -14.025 -0.697 0.000) 14.043 3.406 ( 3.154 3.221 0.000) 4.508 3.455 ( -0.347 0.056 0.000) 0.351 3.502 ( 9.733 5.439 0.000) 11.149 3.761 ( -8.781 -1.222 0.000) 8.866 3.837 ( 3.591 -4.095 0.000) 5.446 3.909 ( -1.124 -7.246 0.000) 7.333 4.074 ( 0.896 1.413 0.000) 1.673 4.108 ( -2.208 6.543 0.000) 6.905 4.315 ( -2.248 -1.661 0.000) 2.795 4.346 ( -6.726 -4.514 0.000) 8.100 4.403 ( 0.131 -1.215 0.000) 1.222 4.422 ( -2.536 -7.508 0.000) 7.925 4.577 ( -3.184 1.265 0.000) 3.426 4.578 ( -4.455 3.174 0.000) 5.470 4.733 ( 8.105 0.814 0.000) 8.146 4.816 ( -2.330 -4.885 0.000) 5.412 4.862 ( -1.133 -6.000 0.000) 6.106 4.955 ( -6.380 -6.964 0.000) 9.444 4.970 ( -0.208 -1.217 0.000) 1.235 4.984 ( -2.362 -3.011 0.000) 3.827 5.197 ( -1.414 -6.071 0.000) 6.234 5.244 ( -4.145 -5.225 0.000) 6.670 5.503 ( 0.565 -1.125 0.000) 1.259 5.513 ( -0.106 -3.305 0.000) 3.307 5.661 ( 4.114 0.643 0.000) 4.164 5.712 ( -1.180 -3.867 0.000) 4.043 5.802 ( 8.073 0.603 0.000) 8.095 5.965 ( -3.566 -1.152 0.000) 3.747 6.087 ( 8.648 -0.005 0.000) 8.648 6.257 ( -3.236 -2.275 0.000) 3.955 6.465 ( 4.235 -4.490 0.000) 6.172 6.503 ( 2.503 0.671 0.000) 2.592 6.802 ( -1.771 0.331 0.000) 1.801 6.808 ( -2.880 -1.042 0.000) 3.063 6.928 ( 1.479 2.148 0.000) 2.608 6.937 ( 1.086 -1.653 0.000) 1.978 8.106 ( 1.287 12.186 0.000) 12.254 8.142 ( -1.960 10.389 0.000) 10.572 8.506 ( 6.384 5.724 0.000) 8.575 8.641 ( -5.588 4.331 0.000) 7.070 13.069 ( 0.126 -1.829 0.000) 1.833 13.079 ( -0.784 -2.563 0.000) 2.681 13.337 ( 2.332 1.203 0.000) 2.624 13.357 ( -0.551 12.541 0.000) 12.553 13.376 ( 0.653 7.510 0.000) 7.538 13.417 ( -1.893 -3.716 0.000) 4.171 13.560 ( 0.582 11.261 0.000) 11.276 13.571 ( -0.298 12.166 0.000) 12.169 20.053 ( 0.939 3.399 0.000) 3.526 20.083 ( -1.799 3.346 0.000) 3.799 20.176 ( 0.054 1.448 0.000) 1.449 20.177 ( -0.006 1.430 0.000) 1.430 20.852 ( 0.711 -2.580 0.000) 2.676 20.869 ( -0.852 -2.437 0.000) 2.582 20.871 ( 0.737 -2.829 0.000) 2.923 20.888 ( -0.808 -2.652 0.000) 2.772 21.016 ( 0.134 1.244 0.000) 1.252 21.019 ( -0.066 1.431 0.000) 1.432 21.043 ( 0.697 0.659 0.000) 0.960 21.058 ( -0.633 0.678 0.000) 0.927 22.539 ( 0.684 -3.795 0.000) 3.857 22.550 ( -0.431 -3.870 0.000) 3.893 22.640 ( 0.877 -4.446 0.000) 4.532 22.657 ( -0.679 -4.456 0.000) 4.507 23.642 ( 0.197 0.307 0.000) 0.365 23.646 ( -0.185 0.356 0.000) 0.401 23.669 ( 0.494 0.102 0.000) 0.504 23.680 ( -0.457 -0.163 0.000) 0.485 24.052 ( 0.362 0.712 0.000) 0.799 24.066 ( -0.887 0.809 0.000) 1.201 24.194 ( 1.375 -0.925 0.000) 1.658 24.221 ( -1.012 -1.181 0.000) 1.556 24.605 ( 0.456 0.670 0.000) 0.811 24.622 ( -1.164 1.057 0.000) 1.573 24.644 ( 1.240 0.266 0.000) 1.268 24.672 ( -1.221 0.262 0.000) 1.249 26.267 ( 0.134 -2.371 0.000) 2.375 26.270 ( -0.144 -2.370 0.000) 2.375 26.293 ( 0.132 -2.606 0.000) 2.609 26.296 ( -0.086 -2.631 0.000) 2.632 28.698 ( 0.500 -0.710 0.000) 0.869 28.709 ( -0.489 -0.742 0.000) 0.889 28.746 ( 0.641 -1.518 0.000) 1.648 28.759 ( -0.457 -1.436 0.000) 1.507 47.034 ( 1.871 8.199 0.000) 8.410 47.054 ( -2.521 5.271 0.000) 5.842 47.294 ( 10.706 15.681 0.000) 18.987 47.602 ( -14.585 15.307 0.000) 21.142 48.119 ( 5.770 -10.695 0.000) 12.153 48.206 ( -0.947 -14.782 0.000) 14.812 49.064 ( -1.424 -35.186 0.000) 35.214 49.132 ( -9.492 -27.866 0.000) 29.438 51.093 ( 1.157 6.783 0.000) 6.881 51.116 ( -0.881 7.631 0.000) 7.681 52.416 ( 2.025 -12.546 0.000) 12.708 52.470 ( -2.381 -14.422 0.000) 14.617 56.785 ( 2.316 -0.946 0.000) 2.502 56.845 ( -2.951 0.664 0.000) 3.024 57.063 ( 1.704 3.301 0.000) 3.714 57.074 ( 1.141 1.660 0.000) 2.014 57.536 ( 3.656 1.525 0.000) 3.961 57.551 ( 1.196 3.739 0.000) 3.926 57.593 ( 1.369 4.972 0.000) 5.157 57.635 ( -1.683 4.128 0.000) 4.458 60.370 ( -0.121 0.902 0.000) 0.910 60.385 ( -1.380 0.749 0.000) 1.570 60.569 ( 1.640 -1.780 0.000) 2.420 60.582 ( 0.467 -1.723 0.000) 1.785 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 24.053 0.000) 24.053 1.487 ( 0.000 -12.241 0.000) 12.241 1.563 ( 0.000 25.090 0.000) 25.090 1.981 ( 0.000 -3.067 0.000) 3.067 2.279 ( 0.000 3.453 0.000) 3.453 2.304 ( 0.000 5.936 0.000) 5.936 2.516 ( 0.000 20.373 0.000) 20.373 2.856 ( 0.000 22.381 0.000) 22.381 2.908 ( 0.000 3.860 0.000) 3.860 2.947 ( 0.000 10.631 0.000) 10.631 2.991 ( 0.000 17.193 0.000) 17.193 3.184 ( 0.000 -10.996 0.000) 10.996 3.296 ( 0.000 -1.518 0.000) 1.518 3.411 ( 0.000 18.219 0.000) 18.219 3.502 ( 0.000 -2.426 0.000) 2.426 3.615 ( 0.000 8.068 0.000) 8.068 3.683 ( 0.000 -7.844 0.000) 7.844 3.989 ( 0.000 -4.600 0.000) 4.600 4.160 ( 0.000 6.297 0.000) 6.297 4.177 ( 0.000 7.341 0.000) 7.341 4.411 ( 0.000 -1.123 0.000) 1.123 4.424 ( 0.000 2.786 0.000) 2.786 4.467 ( 0.000 -2.400 0.000) 2.400 4.478 ( 0.000 3.603 0.000) 3.603 4.621 ( 0.000 -7.898 0.000) 7.898 4.624 ( 0.000 -6.606 0.000) 6.606 4.821 ( 0.000 -5.609 0.000) 5.609 4.896 ( 0.000 -8.657 0.000) 8.657 4.933 ( 0.000 -2.956 0.000) 2.956 5.002 ( 0.000 -8.145 0.000) 8.145 5.042 ( 0.000 -7.004 0.000) 7.004 5.113 ( 0.000 -10.440 0.000) 10.440 5.219 ( 0.000 6.277 0.000) 6.277 5.399 ( 0.000 6.066 0.000) 6.066 5.416 ( 0.000 -8.970 0.000) 8.970 5.525 ( 0.000 0.479 0.000) 0.479 5.568 ( 0.000 -4.378 0.000) 4.378 5.613 ( 0.000 -2.026 0.000) 2.026 5.691 ( 0.000 5.811 0.000) 5.811 5.724 ( 0.000 -0.468 0.000) 0.468 5.785 ( 0.000 -7.483 0.000) 7.483 5.872 ( 0.000 -0.036 0.000) 0.036 6.166 ( 0.000 -0.889 0.000) 0.889 6.244 ( 0.000 -9.012 0.000) 9.012 6.922 ( 0.000 -0.008 0.000) 0.008 6.949 ( 0.000 1.086 0.000) 1.086 6.953 ( 0.000 6.017 0.000) 6.017 6.977 ( 0.000 2.044 0.000) 2.044 8.355 ( 0.000 13.512 0.000) 13.512 8.409 ( 0.000 7.564 0.000) 7.564 8.432 ( 0.000 7.013 0.000) 7.013 8.824 ( 0.000 1.549 0.000) 1.549 13.060 ( 0.000 -2.981 0.000) 2.981 13.061 ( 0.000 -0.150 0.000) 0.150 13.145 ( 0.000 -4.540 0.000) 4.540 13.343 ( 0.000 -6.167 0.000) 6.167 13.672 ( 0.000 13.658 0.000) 13.658 13.676 ( 0.000 14.730 0.000) 14.730 13.747 ( 0.000 11.700 0.000) 11.700 13.809 ( 0.000 11.658 0.000) 11.658 20.104 ( 0.000 3.512 0.000) 3.512 20.196 ( 0.000 1.336 0.000) 1.336 20.197 ( 0.000 1.441 0.000) 1.441 20.203 ( 0.000 1.163 0.000) 1.163 20.779 ( 0.000 -2.854 0.000) 2.854 20.792 ( 0.000 -3.116 0.000) 3.116 20.846 ( 0.000 -2.399 0.000) 2.399 20.859 ( 0.000 -2.698 0.000) 2.698 21.032 ( 0.000 0.825 0.000) 0.825 21.034 ( 0.000 0.544 0.000) 0.544 21.050 ( 0.000 1.453 0.000) 1.453 21.085 ( 0.000 0.475 0.000) 0.475 22.449 ( 0.000 -2.720 0.000) 2.720 22.482 ( 0.000 -4.015 0.000) 4.015 22.520 ( 0.000 -4.714 0.000) 4.714 22.577 ( 0.000 -5.138 0.000) 5.138 23.641 ( 0.000 0.255 0.000) 0.255 23.658 ( 0.000 0.154 0.000) 0.154 23.660 ( 0.000 0.175 0.000) 0.175 23.677 ( 0.000 -0.678 0.000) 0.678 24.067 ( 0.000 0.790 0.000) 0.790 24.115 ( 0.000 1.146 0.000) 1.146 24.142 ( 0.000 -0.648 0.000) 0.648 24.216 ( 0.000 -1.205 0.000) 1.205 24.605 ( 0.000 0.257 0.000) 0.257 24.614 ( 0.000 0.030 0.000) 0.030 24.688 ( 0.000 0.021 0.000) 0.021 24.699 ( 0.000 0.003 0.000) 0.003 26.216 ( 0.000 -2.373 0.000) 2.373 26.226 ( 0.000 -2.384 0.000) 2.384 26.236 ( 0.000 -2.731 0.000) 2.731 26.242 ( 0.000 -2.785 0.000) 2.785 28.672 ( 0.000 -0.611 0.000) 0.611 28.698 ( 0.000 -1.219 0.000) 1.219 28.707 ( 0.000 -0.683 0.000) 0.683 28.741 ( 0.000 -1.463 0.000) 1.463 46.838 ( 0.000 -4.979 0.000) 4.979 46.918 ( 0.000 -23.702 0.000) 23.702 47.179 ( 0.000 -18.510 0.000) 18.510 47.220 ( 0.000 -32.484 0.000) 32.484 48.004 ( 0.000 18.215 0.000) 18.215 48.565 ( 0.000 27.268 0.000) 27.268 48.814 ( 0.000 -8.985 0.000) 8.985 49.860 ( 0.000 -4.027 0.000) 4.027 51.239 ( 0.000 10.061 0.000) 10.061 51.320 ( 0.000 10.962 0.000) 10.962 52.141 ( 0.000 -12.951 0.000) 12.951 52.181 ( 0.000 -10.009 0.000) 10.009 56.752 ( 0.000 4.854 0.000) 4.854 56.933 ( 0.000 3.365 0.000) 3.365 57.000 ( 0.000 4.230 0.000) 4.230 57.045 ( 0.000 2.701 0.000) 2.701 57.381 ( 0.000 -2.464 0.000) 2.464 57.479 ( 0.000 -2.622 0.000) 2.622 57.558 ( 0.000 -2.161 0.000) 2.161 57.630 ( 0.000 -4.469 0.000) 4.469 60.436 ( 0.000 -0.427 0.000) 0.427 60.451 ( 0.000 -0.127 0.000) 0.127 60.454 ( 0.000 -0.248 0.000) 0.248 60.504 ( 0.000 -0.613 0.000) 0.613 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.353 0.515 0.000) 0.625 1.616 ( 19.753 19.611 0.000) 27.835 1.729 ( 10.371 14.673 0.000) 17.968 2.048 ( 5.535 -3.714 0.000) 6.666 2.101 ( -10.249 6.940 0.000) 12.378 2.343 ( 0.231 1.322 0.000) 1.342 2.518 ( -0.457 19.653 0.000) 19.658 2.864 ( -3.826 6.207 0.000) 7.291 2.910 ( 0.436 17.870 0.000) 17.875 2.917 ( -0.742 12.133 0.000) 12.156 2.950 ( 0.203 13.367 0.000) 13.369 3.251 ( -3.428 3.997 0.000) 5.265 3.278 ( 6.466 -0.423 0.000) 6.480 3.466 ( 3.977 7.069 0.000) 8.111 3.529 ( 1.940 -1.375 0.000) 2.378 3.558 ( -0.159 2.033 0.000) 2.039 3.772 ( 2.336 -3.907 0.000) 4.552 4.014 ( 3.469 -3.024 0.000) 4.602 4.068 ( -6.125 7.084 0.000) 9.365 4.233 ( 1.909 5.958 0.000) 6.256 4.354 ( -7.078 -2.365 0.000) 7.463 4.400 ( -2.087 -0.523 0.000) 2.151 4.409 ( -0.676 -0.252 0.000) 0.722 4.530 ( 2.142 -3.149 0.000) 3.809 4.567 ( -7.824 -3.561 0.000) 8.596 4.671 ( 1.888 -3.139 0.000) 3.663 4.674 ( -10.810 -5.947 0.000) 12.338 4.831 ( -1.298 -7.557 0.000) 7.667 4.847 ( -4.241 -2.595 0.000) 4.972 4.886 ( -9.076 -5.365 0.000) 10.543 4.966 ( -5.286 -1.820 0.000) 5.591 5.063 ( -4.185 1.841 0.000) 4.572 5.176 ( 0.446 -6.695 0.000) 6.709 5.251 ( -7.373 -4.924 0.000) 8.866 5.469 ( -4.397 -1.165 0.000) 4.549 5.536 ( -5.896 -2.904 0.000) 6.573 5.592 ( 9.741 5.912 0.000) 11.394 5.596 ( 1.638 -6.981 0.000) 7.171 5.709 ( 0.487 3.353 0.000) 3.388 5.714 ( 7.766 -6.488 0.000) 10.120 6.016 ( 8.610 2.885 0.000) 9.080 6.056 ( 13.745 -3.946 0.000) 14.300 6.251 ( 0.433 -9.585 0.000) 9.595 6.341 ( 10.876 -1.920 0.000) 11.044 6.879 ( -3.504 0.116 0.000) 3.506 6.913 ( -3.180 3.802 0.000) 4.957 6.924 ( -1.635 0.440 0.000) 1.693 6.983 ( 0.089 3.401 0.000) 3.402 8.352 ( -0.282 13.075 0.000) 13.078 8.370 ( -1.530 8.718 0.000) 8.851 8.504 ( 4.383 5.879 0.000) 7.332 8.795 ( -2.570 1.920 0.000) 3.208 13.047 ( -0.790 -2.485 0.000) 2.608 13.054 ( -0.564 -0.365 0.000) 0.672 13.175 ( 2.348 -5.118 0.000) 5.631 13.331 ( -1.180 -6.373 0.000) 6.481 13.659 ( -0.728 14.035 0.000) 14.054 13.669 ( -0.574 14.777 0.000) 14.788 13.766 ( 1.358 11.637 0.000) 11.716 13.811 ( 0.135 11.631 0.000) 11.631 20.108 ( 0.352 3.467 0.000) 3.485 20.175 ( -1.360 2.012 0.000) 2.428 20.202 ( 0.082 1.291 0.000) 1.294 20.203 ( -0.009 1.158 0.000) 1.158 20.784 ( 0.453 -2.815 0.000) 2.851 20.797 ( 0.488 -3.088 0.000) 3.126 20.838 ( -0.699 -2.462 0.000) 2.559 20.852 ( -0.677 -2.745 0.000) 2.827 21.033 ( 0.203 0.884 0.000) 0.907 21.041 ( 0.550 0.582 0.000) 0.801 21.049 ( -0.085 1.405 0.000) 1.408 21.081 ( -0.360 0.493 0.000) 0.611 22.455 ( 0.478 -2.957 0.000) 2.995 22.479 ( -0.206 -3.903 0.000) 3.908 22.529 ( 0.701 -4.783 0.000) 4.834 22.573 ( -0.324 -5.101 0.000) 5.111 23.644 ( 0.200 0.299 0.000) 0.360 23.656 ( -0.098 0.266 0.000) 0.284 23.664 ( 0.262 0.114 0.000) 0.286 23.678 ( 0.021 -0.545 0.000) 0.545 24.065 ( -0.044 0.900 0.000) 0.901 24.106 ( -0.767 1.155 0.000) 1.386 24.151 ( 0.811 -0.849 0.000) 1.174 24.211 ( -0.431 -1.312 0.000) 1.381 24.607 ( 0.256 0.356 0.000) 0.439 24.624 ( 0.837 0.037 0.000) 0.838 24.669 ( -1.325 0.465 0.000) 1.404 24.695 ( -0.562 -0.084 0.000) 0.568 26.216 ( 0.071 -2.375 0.000) 2.376 26.225 ( -0.106 -2.385 0.000) 2.388 26.237 ( 0.094 -2.748 0.000) 2.750 26.242 ( -0.016 -2.784 0.000) 2.784 28.676 ( 0.294 -0.616 0.000) 0.683 28.703 ( -0.282 -0.676 0.000) 0.733 28.704 ( 0.495 -1.328 0.000) 1.418 28.738 ( -0.267 -1.470 0.000) 1.494 46.902 ( -0.362 -19.627 0.000) 19.631 46.924 ( 6.859 -6.458 0.000) 9.421 47.163 ( -1.070 -17.600 0.000) 17.633 47.283 ( 4.372 -33.945 0.000) 34.225 48.071 ( 6.186 17.886 0.000) 18.926 48.498 ( -5.534 26.011 0.000) 26.593 48.739 ( -5.868 -8.838 0.000) 10.609 49.528 ( -25.783 1.986 0.000) 25.860 51.228 ( 0.162 9.771 0.000) 9.772 51.315 ( -0.460 10.891 0.000) 10.901 52.175 ( -0.370 -10.600 0.000) 10.606 52.187 ( 2.064 -14.257 0.000) 14.405 56.765 ( 1.250 4.492 0.000) 4.662 56.950 ( -1.939 3.075 0.000) 3.635 57.023 ( 4.165 3.096 0.000) 5.190 57.072 ( 2.057 2.850 0.000) 3.514 57.428 ( 4.065 -2.437 0.000) 4.739 57.531 ( 3.763 -3.585 0.000) 5.197 57.553 ( -0.063 -2.877 0.000) 2.877 57.647 ( 0.915 -3.724 0.000) 3.835 60.406 ( -1.171 0.773 0.000) 1.403 60.432 ( -1.363 0.566 0.000) 1.476 60.492 ( 2.142 -1.266 0.000) 2.489 60.527 ( 1.383 -1.333 0.000) 1.921 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 7.495 4.479 0.000) 8.731 1.725 ( -10.223 9.042 0.000) 13.647 1.966 ( 10.406 16.090 0.000) 19.162 2.094 ( 3.072 17.305 0.000) 17.575 2.190 ( 6.685 -3.759 0.000) 7.670 2.308 ( -3.428 -2.916 0.000) 4.501 2.542 ( 7.206 8.478 0.000) 11.127 2.745 ( -7.292 7.964 0.000) 10.798 2.928 ( 0.357 23.714 0.000) 23.716 2.948 ( -0.681 17.834 0.000) 17.847 2.952 ( 5.704 7.475 0.000) 9.403 3.128 ( -8.315 6.886 0.000) 10.796 3.459 ( 8.539 4.166 0.000) 9.501 3.530 ( 0.702 9.708 0.000) 9.734 3.594 ( 3.918 -10.443 0.000) 11.154 3.596 ( 2.579 0.175 0.000) 2.585 3.768 ( -0.786 -4.692 0.000) 4.757 3.885 ( -10.100 3.982 0.000) 10.857 4.132 ( 5.732 -0.166 0.000) 5.734 4.221 ( -3.218 -1.619 0.000) 3.602 4.221 ( -3.561 -1.223 0.000) 3.765 4.293 ( -9.108 3.911 0.000) 9.912 4.352 ( -2.064 -2.441 0.000) 3.197 4.360 ( -2.967 -0.918 0.000) 3.106 4.521 ( -0.029 -5.015 0.000) 5.015 4.553 ( -2.979 -5.458 0.000) 6.218 4.717 ( -0.908 -7.538 0.000) 7.593 4.724 ( -3.420 -5.370 0.000) 6.366 4.799 ( 3.190 4.508 0.000) 5.523 4.840 ( 0.840 -1.117 0.000) 1.397 4.964 ( 1.596 0.324 0.000) 1.629 4.989 ( -2.954 1.045 0.000) 3.134 5.102 ( -3.357 -4.353 0.000) 5.497 5.140 ( -3.425 -5.411 0.000) 6.404 5.429 ( -0.289 -5.377 0.000) 5.385 5.446 ( -2.117 -4.997 0.000) 5.427 5.640 ( 1.861 -2.937 0.000) 3.478 5.670 ( -0.746 1.274 0.000) 1.477 5.835 ( 7.458 1.735 0.000) 7.657 5.867 ( 4.893 -7.273 0.000) 8.766 6.133 ( 1.705 4.077 0.000) 4.419 6.175 ( -2.383 -4.691 0.000) 5.262 6.377 ( 9.864 -4.384 0.000) 10.795 6.490 ( 1.214 -1.823 0.000) 2.191 6.799 ( -2.280 0.222 0.000) 2.290 6.829 ( -3.856 2.283 0.000) 4.481 6.926 ( 2.039 -0.251 0.000) 2.054 6.971 ( -1.381 1.672 0.000) 2.168 8.346 ( -0.167 11.888 0.000) 11.889 8.348 ( -0.463 10.294 0.000) 10.305 8.610 ( 5.058 4.385 0.000) 6.694 8.716 ( -4.427 2.948 0.000) 5.318 13.036 ( -0.134 -1.684 0.000) 1.689 13.041 ( -0.514 -0.931 0.000) 1.063 13.234 ( 2.821 -5.992 0.000) 6.622 13.292 ( -2.308 -6.474 0.000) 6.873 13.650 ( -0.064 14.589 0.000) 14.590 13.656 ( -0.527 14.810 0.000) 14.820 13.795 ( 1.068 11.574 0.000) 11.623 13.810 ( -0.339 11.580 0.000) 11.585 20.120 ( 0.819 3.291 0.000) 3.391 20.144 ( -1.336 2.842 0.000) 3.141 20.203 ( -0.001 1.175 0.000) 1.175 20.203 ( 0.005 1.202 0.000) 1.202 20.798 ( 0.828 -2.711 0.000) 2.835 20.812 ( 0.854 -3.002 0.000) 3.121 20.819 ( -0.980 -2.581 0.000) 2.761 20.833 ( -0.960 -2.871 0.000) 3.027 21.040 ( 0.314 1.085 0.000) 1.129 21.046 ( -0.213 1.272 0.000) 1.289 21.055 ( 0.703 0.564 0.000) 0.901 21.070 ( -0.620 0.532 0.000) 0.817 22.466 ( 0.459 -3.349 0.000) 3.381 22.474 ( -0.273 -3.661 0.000) 3.671 22.546 ( 0.825 -4.903 0.000) 4.972 22.563 ( -0.632 -5.011 0.000) 5.051 23.649 ( 0.254 0.369 0.000) 0.448 23.654 ( -0.159 0.363 0.000) 0.396 23.670 ( 0.330 -0.002 0.000) 0.330 23.676 ( -0.173 -0.254 0.000) 0.307 24.069 ( 0.476 1.061 0.000) 1.163 24.086 ( -0.941 1.142 0.000) 1.479 24.173 ( 1.095 -1.195 0.000) 1.620 24.196 ( -0.923 -1.378 0.000) 1.658 24.618 ( 0.740 0.610 0.000) 0.959 24.640 ( -1.230 0.758 0.000) 1.445 24.647 ( 1.233 0.015 0.000) 1.233 24.675 ( -1.169 -0.036 0.000) 1.169 26.219 ( 0.128 -2.381 0.000) 2.384 26.222 ( -0.147 -2.385 0.000) 2.390 26.239 ( 0.112 -2.771 0.000) 2.773 26.241 ( -0.068 -2.781 0.000) 2.781 28.684 ( 0.474 -0.633 0.000) 0.791 28.695 ( -0.466 -0.656 0.000) 0.805 28.717 ( 0.618 -1.455 0.000) 1.581 28.729 ( -0.495 -1.482 0.000) 1.562 46.932 ( 2.980 -14.574 0.000) 14.875 47.003 ( -1.989 -11.383 0.000) 11.556 47.223 ( 7.450 -18.817 0.000) 20.239 47.338 ( -1.019 -29.782 0.000) 29.799 48.252 ( 8.263 19.301 0.000) 20.995 48.371 ( -4.882 21.674 0.000) 22.217 48.650 ( 1.736 -5.534 0.000) 5.800 48.948 ( -23.321 4.079 0.000) 23.675 51.256 ( 1.934 9.767 0.000) 9.957 51.295 ( -1.407 10.459 0.000) 10.553 52.174 ( 0.410 -12.092 0.000) 12.099 52.193 ( -0.991 -13.767 0.000) 13.803 56.809 ( 2.733 4.030 0.000) 4.870 56.881 ( -3.573 3.748 0.000) 5.178 57.104 ( 2.190 1.991 0.000) 2.960 57.113 ( 1.130 2.564 0.000) 2.801 57.524 ( 3.551 -3.154 0.000) 4.749 57.558 ( 0.090 -3.519 0.000) 3.520 57.605 ( 2.628 -3.686 0.000) 4.527 57.647 ( -1.084 -3.129 0.000) 3.312 60.393 ( 0.065 1.419 0.000) 1.420 60.406 ( -0.958 1.321 0.000) 1.631 60.533 ( 1.378 -1.903 0.000) 2.349 60.546 ( 0.185 -1.913 0.000) 1.922 ======================= Grid point 20 (13/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 1.534 0.000) 1.534 1.757 ( 0.000 -10.295 0.000) 10.295 1.789 ( 0.000 21.395 0.000) 21.395 2.109 ( 0.000 22.532 0.000) 22.532 2.294 ( 0.000 -2.441 0.000) 2.441 2.419 ( 0.000 5.902 0.000) 5.902 2.701 ( 0.000 -3.300 0.000) 3.300 2.902 ( 0.000 -12.669 0.000) 12.669 2.986 ( 0.000 4.731 0.000) 4.731 3.070 ( 0.000 4.838 0.000) 4.838 3.181 ( 0.000 -6.447 0.000) 6.447 3.247 ( 0.000 14.074 0.000) 14.074 3.270 ( 0.000 10.116 0.000) 10.116 3.512 ( 0.000 -9.374 0.000) 9.374 3.676 ( 0.000 13.334 0.000) 13.334 3.752 ( 0.000 13.470 0.000) 13.470 3.776 ( 0.000 7.040 0.000) 7.040 3.905 ( 0.000 -3.659 0.000) 3.659 4.286 ( 0.000 4.274 0.000) 4.274 4.299 ( 0.000 7.506 0.000) 7.506 4.411 ( 0.000 1.649 0.000) 1.649 4.435 ( 0.000 -0.837 0.000) 0.837 4.465 ( 0.000 0.817 0.000) 0.817 4.480 ( 0.000 -7.185 0.000) 7.185 4.497 ( 0.000 -4.690 0.000) 4.690 4.511 ( 0.000 -0.609 0.000) 0.609 4.738 ( 0.000 -2.684 0.000) 2.684 4.749 ( 0.000 -5.440 0.000) 5.440 4.863 ( 0.000 -5.872 0.000) 5.872 4.895 ( 0.000 -0.627 0.000) 0.627 4.914 ( 0.000 -9.445 0.000) 9.445 4.930 ( 0.000 -3.411 0.000) 3.411 5.273 ( 0.000 -4.599 0.000) 4.599 5.347 ( 0.000 6.327 0.000) 6.327 5.423 ( 0.000 -8.254 0.000) 8.254 5.517 ( 0.000 5.534 0.000) 5.534 5.557 ( 0.000 0.642 0.000) 0.642 5.584 ( 0.000 -1.064 0.000) 1.064 5.613 ( 0.000 -7.578 0.000) 7.578 5.694 ( 0.000 -2.584 0.000) 2.584 5.830 ( 0.000 6.330 0.000) 6.330 5.922 ( 0.000 4.738 0.000) 4.738 6.082 ( 0.000 -7.446 0.000) 7.446 6.123 ( 0.000 -3.611 0.000) 3.611 6.926 ( 0.000 0.459 0.000) 0.459 6.954 ( 0.000 -0.421 0.000) 0.421 7.019 ( 0.000 2.040 0.000) 2.040 7.034 ( 0.000 2.309 0.000) 2.309 8.530 ( 0.000 4.530 0.000) 4.530 8.542 ( 0.000 3.937 0.000) 3.937 8.590 ( 0.000 10.292 0.000) 10.292 8.824 ( 0.000 -1.704 0.000) 1.704 13.017 ( 0.000 -1.209 0.000) 1.209 13.064 ( 0.000 -3.461 0.000) 3.461 13.074 ( 0.000 1.628 0.000) 1.628 13.223 ( 0.000 -5.774 0.000) 5.774 13.901 ( 0.000 9.086 0.000) 9.086 13.925 ( 0.000 10.001 0.000) 10.001 13.940 ( 0.000 7.152 0.000) 7.152 13.994 ( 0.000 6.553 0.000) 6.553 20.166 ( 0.000 2.713 0.000) 2.713 20.217 ( 0.000 0.139 0.000) 0.139 20.219 ( 0.000 0.882 0.000) 0.882 20.220 ( 0.000 0.849 0.000) 0.849 20.731 ( 0.000 -1.838 0.000) 1.838 20.738 ( 0.000 -2.167 0.000) 2.167 20.805 ( 0.000 -1.593 0.000) 1.593 20.812 ( 0.000 -1.935 0.000) 1.935 21.043 ( 0.000 0.402 0.000) 0.402 21.045 ( 0.000 0.418 0.000) 0.418 21.074 ( 0.000 1.013 0.000) 1.013 21.091 ( 0.000 0.099 0.000) 0.099 22.412 ( 0.000 -0.817 0.000) 0.817 22.418 ( 0.000 -2.275 0.000) 2.275 22.439 ( 0.000 -3.271 0.000) 3.271 22.483 ( 0.000 -4.179 0.000) 4.179 23.647 ( 0.000 0.336 0.000) 0.336 23.661 ( 0.000 0.137 0.000) 0.137 23.662 ( 0.000 0.081 0.000) 0.081 23.665 ( 0.000 -0.584 0.000) 0.584 24.085 ( 0.000 1.048 0.000) 1.048 24.126 ( 0.000 -0.925 0.000) 0.925 24.139 ( 0.000 1.290 0.000) 1.290 24.191 ( 0.000 -1.325 0.000) 1.325 24.609 ( 0.000 0.155 0.000) 0.155 24.613 ( 0.000 -0.061 0.000) 0.061 24.690 ( 0.000 0.164 0.000) 0.164 24.697 ( 0.000 -0.139 0.000) 0.139 26.178 ( 0.000 -1.366 0.000) 1.366 26.187 ( 0.000 -1.422 0.000) 1.422 26.189 ( 0.000 -1.895 0.000) 1.895 26.196 ( 0.000 -1.844 0.000) 1.844 28.664 ( 0.000 -0.236 0.000) 0.236 28.677 ( 0.000 -0.901 0.000) 0.901 28.697 ( 0.000 -0.227 0.000) 0.227 28.715 ( 0.000 -1.112 0.000) 1.112 46.546 ( 0.000 -12.944 0.000) 12.944 46.682 ( 0.000 -7.849 0.000) 7.849 46.691 ( 0.000 -20.497 0.000) 20.497 46.813 ( 0.000 -15.759 0.000) 15.759 48.384 ( 0.000 17.733 0.000) 17.733 48.738 ( 0.000 -1.944 0.000) 1.944 49.073 ( 0.000 23.752 0.000) 23.752 49.726 ( 0.000 -9.804 0.000) 9.804 51.449 ( 0.000 11.123 0.000) 11.123 51.550 ( 0.000 12.177 0.000) 12.177 51.897 ( 0.000 -12.031 0.000) 12.031 51.987 ( 0.000 -10.063 0.000) 10.063 56.916 ( 0.000 11.484 0.000) 11.484 57.026 ( 0.000 6.102 0.000) 6.102 57.100 ( 0.000 6.093 0.000) 6.093 57.130 ( 0.000 6.266 0.000) 6.266 57.299 ( 0.000 -5.845 0.000) 5.845 57.385 ( 0.000 -6.633 0.000) 6.633 57.428 ( 0.000 -10.660 0.000) 10.660 57.486 ( 0.000 -9.499 0.000) 9.499 60.433 ( 0.000 0.101 0.000) 0.101 60.446 ( 0.000 -0.366 0.000) 0.366 60.457 ( 0.000 0.529 0.000) 0.529 60.489 ( 0.000 -0.840 0.000) 0.840 ======================= Grid point 21 (14/54) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 5.081 3.907 0.000) 6.410 1.833 ( 6.347 -11.119 0.000) 12.803 1.991 ( 15.089 17.798 0.000) 23.334 2.183 ( 6.427 21.757 0.000) 22.686 2.209 ( -9.118 3.936 0.000) 9.932 2.365 ( -2.776 1.660 0.000) 3.234 2.730 ( 4.354 -6.370 0.000) 7.716 2.916 ( 0.820 -7.891 0.000) 7.934 2.932 ( -8.622 9.881 0.000) 13.114 3.002 ( 1.167 2.812 0.000) 3.045 3.219 ( 3.311 -6.785 0.000) 7.550 3.322 ( 3.763 15.066 0.000) 15.529 3.382 ( 6.379 4.127 0.000) 7.598 3.485 ( -0.050 -5.316 0.000) 5.316 3.603 ( -4.818 14.100 0.000) 14.901 3.759 ( -0.742 10.492 0.000) 10.519 3.794 ( 0.156 3.817 0.000) 3.820 3.933 ( 3.365 -4.899 0.000) 5.944 4.203 ( -6.616 6.355 0.000) 9.174 4.313 ( -3.174 1.898 0.000) 3.698 4.347 ( -5.071 0.872 0.000) 5.146 4.369 ( -5.998 -1.815 0.000) 6.267 4.429 ( -0.360 2.883 0.000) 2.906 4.448 ( -1.662 -4.227 0.000) 4.542 4.460 ( -1.405 -6.219 0.000) 6.376 4.595 ( -11.069 -1.696 0.000) 11.198 4.595 ( 2.138 -4.325 0.000) 4.825 4.720 ( -2.974 -5.415 0.000) 6.178 4.807 ( 0.931 -0.654 0.000) 1.138 4.847 ( -0.266 2.191 0.000) 2.207 4.931 ( -1.128 -1.815 0.000) 2.137 4.992 ( 1.966 -7.288 0.000) 7.549 5.171 ( -6.374 -1.895 0.000) 6.650 5.181 ( -7.491 4.997 0.000) 9.005 5.388 ( -5.838 -8.467 0.000) 10.285 5.429 ( -7.023 -6.791 0.000) 9.769 5.516 ( 2.005 0.152 0.000) 2.011 5.608 ( 4.271 -4.298 0.000) 6.060 5.716 ( 9.275 6.304 0.000) 11.215 5.799 ( -1.582 4.634 0.000) 4.897 5.976 ( 13.902 -3.809 0.000) 14.414 6.083 ( 1.090 -7.461 0.000) 7.540 6.094 ( 10.285 4.995 0.000) 11.434 6.288 ( 10.679 -3.683 0.000) 11.296 6.884 ( -3.493 0.564 0.000) 3.538 6.921 ( -2.289 -0.712 0.000) 2.397 6.976 ( -3.336 2.864 0.000) 4.397 7.029 ( -1.089 0.990 0.000) 1.472 8.516 ( -0.109 6.000 0.000) 6.001 8.580 ( -0.930 9.975 0.000) 10.018 8.588 ( 3.002 2.488 0.000) 3.899 8.802 ( -1.969 -1.390 0.000) 2.410 13.014 ( -0.055 -0.665 0.000) 0.667 13.063 ( -0.890 1.470 0.000) 1.718 13.084 ( 1.537 -4.037 0.000) 4.319 13.209 ( -1.251 -5.763 0.000) 5.898 13.897 ( -0.145 9.548 0.000) 9.549 13.920 ( -0.442 10.136 0.000) 10.145 13.954 ( 1.035 6.774 0.000) 6.852 13.995 ( 0.017 6.427 0.000) 6.427 20.169 ( 0.228 2.632 0.000) 2.642 20.208 ( -0.713 1.312 0.000) 1.493 20.217 ( 0.009 0.164 0.000) 0.164 20.222 ( -0.042 0.628 0.000) 0.629 20.737 ( 0.513 -1.810 0.000) 1.881 20.744 ( 0.528 -2.151 0.000) 2.215 20.797 ( -0.761 -1.614 0.000) 1.784 20.804 ( -0.743 -1.962 0.000) 2.098 21.047 ( 0.361 0.519 0.000) 0.632 21.051 ( 0.501 0.345 0.000) 0.608 21.072 ( -0.171 0.963 0.000) 0.978 21.088 ( -0.316 0.132 0.000) 0.343 22.415 ( 0.171 -0.981 0.000) 0.996 22.418 ( 0.021 -2.103 0.000) 2.103 22.446 ( 0.546 -3.410 0.000) 3.454 22.481 ( -0.229 -4.103 0.000) 4.109 23.650 ( 0.258 0.368 0.000) 0.449 23.661 ( 0.004 0.211 0.000) 0.211 23.665 ( 0.188 0.019 0.000) 0.189 23.667 ( 0.196 -0.512 0.000) 0.548 24.086 ( 0.113 1.160 0.000) 1.166 24.130 ( -0.736 1.328 0.000) 1.518 24.132 ( 0.524 -1.100 0.000) 1.218 24.185 ( -0.554 -1.406 0.000) 1.511 24.614 ( 0.452 0.302 0.000) 0.544 24.623 ( 0.785 -0.142 0.000) 0.798 24.678 ( -0.963 0.407 0.000) 1.046 24.691 ( -0.612 -0.253 0.000) 0.663 26.178 ( 0.069 -1.365 0.000) 1.367 26.186 ( -0.097 -1.408 0.000) 1.412 26.190 ( 0.078 -1.903 0.000) 1.904 26.195 ( -0.030 -1.862 0.000) 1.863 28.667 ( 0.295 -0.227 0.000) 0.372 28.681 ( 0.384 -0.955 0.000) 1.030 28.694 ( -0.271 -0.222 0.000) 0.350 28.712 ( -0.270 -1.112 0.000) 1.144 46.571 ( 2.382 -12.064 0.000) 12.297 46.730 ( 3.462 -9.809 0.000) 10.402 46.735 ( 3.539 -21.126 0.000) 21.420 46.812 ( -0.139 -14.994 0.000) 14.994 48.434 ( 4.962 16.246 0.000) 16.987 48.696 ( -2.786 0.638 0.000) 2.858 48.979 ( -7.967 22.069 0.000) 23.464 49.510 ( -17.850 -4.681 0.000) 18.453 51.440 ( 0.039 11.629 0.000) 11.630 51.541 ( -0.833 11.845 0.000) 11.875 51.921 ( 1.296 -13.059 0.000) 13.123 51.973 ( -1.154 -10.317 0.000) 10.382 56.919 ( 0.521 10.873 0.000) 10.885 57.043 ( -0.413 6.490 0.000) 6.503 57.112 ( 2.139 5.979 0.000) 6.350 57.157 ( 1.928 6.184 0.000) 6.478 57.340 ( 3.421 -6.419 0.000) 7.274 57.413 ( 2.340 -7.842 0.000) 8.184 57.415 ( -0.336 -10.532 0.000) 10.537 57.514 ( 1.520 -9.224 0.000) 9.348 60.423 ( -0.286 1.015 0.000) 1.054 60.449 ( -0.569 1.107 0.000) 1.245 60.468 ( 1.339 -1.222 0.000) 1.813 60.501 ( 0.688 -1.387 0.000) 1.548 ======================= Grid point 22 (15/54) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 11.135 7.095 0.000) 13.203 1.897 ( -13.965 8.496 0.000) 16.346 2.007 ( 9.047 -10.526 0.000) 13.880 2.200 ( -7.063 -6.837 0.000) 9.830 2.359 ( 8.358 19.563 0.000) 21.274 2.411 ( 8.613 15.052 0.000) 17.342 2.783 ( -1.354 13.848 0.000) 13.914 2.890 ( -4.544 4.437 0.000) 6.351 2.899 ( 8.403 -6.705 0.000) 10.750 3.011 ( -1.422 -2.847 0.000) 3.183 3.298 ( 2.808 -5.016 0.000) 5.749 3.331 ( -1.005 6.552 0.000) 6.628 3.466 ( 1.393 -2.556 0.000) 2.911 3.507 ( -3.349 10.485 0.000) 11.007 3.601 ( 8.374 6.789 0.000) 10.780 3.716 ( -2.545 6.913 0.000) 7.367 3.797 ( 1.449 4.143 0.000) 4.389 3.964 ( -13.045 3.816 0.000) 13.591 4.008 ( 2.630 -7.652 0.000) 8.091 4.124 ( -9.228 -6.132 0.000) 11.079 4.300 ( -0.735 -0.467 0.000) 0.871 4.300 ( 1.966 2.965 0.000) 3.558 4.340 ( -3.994 -1.356 0.000) 4.218 4.406 ( -5.567 -2.154 0.000) 5.969 4.457 ( 0.736 0.497 0.000) 0.888 4.466 ( -0.237 2.535 0.000) 2.546 4.598 ( -0.462 -4.453 0.000) 4.477 4.630 ( -3.657 -3.766 0.000) 5.249 4.865 ( 3.507 2.326 0.000) 4.208 4.886 ( 2.323 4.130 0.000) 4.739 4.971 ( 4.235 -0.077 0.000) 4.236 4.997 ( -1.015 -1.697 0.000) 1.978 5.033 ( -5.330 -1.204 0.000) 5.465 5.066 ( -3.982 0.156 0.000) 3.985 5.293 ( -1.667 -8.609 0.000) 8.769 5.315 ( -3.402 -7.973 0.000) 8.668 5.613 ( 5.016 0.201 0.000) 5.020 5.715 ( -4.101 2.956 0.000) 5.055 5.731 ( 6.244 -5.971 0.000) 8.639 5.833 ( -1.455 -2.092 0.000) 2.548 6.135 ( 6.205 1.206 0.000) 6.321 6.229 ( 0.299 5.510 0.000) 5.518 6.289 ( 11.405 -4.693 0.000) 12.333 6.433 ( 0.131 -4.007 0.000) 4.009 6.820 ( -0.474 1.827 0.000) 1.887 6.883 ( -4.711 3.119 0.000) 5.649 6.908 ( 2.011 -1.671 0.000) 2.615 6.980 ( -3.320 -0.841 0.000) 3.425 8.527 ( 0.966 7.658 0.000) 7.718 8.553 ( -1.334 9.056 0.000) 9.154 8.663 ( 3.700 0.875 0.000) 3.802 8.743 ( -3.335 -0.487 0.000) 3.371 13.020 ( 0.613 0.234 0.000) 0.657 13.040 ( -1.102 0.993 0.000) 1.484 13.125 ( 2.125 -4.944 0.000) 5.381 13.172 ( -2.041 -5.556 0.000) 5.919 13.899 ( 0.294 10.126 0.000) 10.131 13.909 ( -0.535 10.296 0.000) 10.310 13.977 ( 0.917 6.344 0.000) 6.410 13.991 ( -0.389 6.257 0.000) 6.269 20.177 ( 0.519 2.375 0.000) 2.431 20.191 ( -0.779 1.911 0.000) 2.064 20.218 ( 0.059 0.253 0.000) 0.259 20.220 ( -0.107 0.418 0.000) 0.432 20.753 ( 0.920 -1.741 0.000) 1.969 20.760 ( 0.933 -2.104 0.000) 2.302 20.775 ( -1.068 -1.666 0.000) 1.979 20.783 ( -1.058 -2.032 0.000) 2.291 21.057 ( 0.480 0.674 0.000) 0.827 21.064 ( 0.661 0.283 0.000) 0.720 21.066 ( -0.357 0.834 0.000) 0.908 21.078 ( -0.565 0.209 0.000) 0.602 22.418 ( 0.109 -1.351 0.000) 1.356 22.419 ( 0.030 -1.751 0.000) 1.752 22.460 ( 0.659 -3.665 0.000) 3.723 22.473 ( -0.487 -3.910 0.000) 3.940 23.656 ( 0.266 0.388 0.000) 0.471 23.660 ( -0.088 0.323 0.000) 0.335 23.669 ( 0.167 -0.117 0.000) 0.204 23.671 ( 0.061 -0.323 0.000) 0.329 24.093 ( 0.583 1.325 0.000) 1.447 24.110 ( -0.953 1.375 0.000) 1.673 24.148 ( 0.861 -1.385 0.000) 1.631 24.168 ( -0.905 -1.494 0.000) 1.746 24.629 ( 0.938 0.529 0.000) 1.077 24.645 ( 1.178 -0.242 0.000) 1.203 24.653 ( -1.181 0.610 0.000) 1.330 24.671 ( -1.133 -0.297 0.000) 1.171 26.181 ( 0.122 -1.368 0.000) 1.374 26.183 ( -0.136 -1.384 0.000) 1.390 26.192 ( 0.106 -1.909 0.000) 1.912 26.194 ( -0.079 -1.894 0.000) 1.896 28.676 ( 0.467 -0.214 0.000) 0.514 28.686 ( -0.452 -0.213 0.000) 0.500 28.692 ( 0.548 -1.047 0.000) 1.182 28.704 ( -0.480 -1.099 0.000) 1.199 46.649 ( 4.448 -11.148 0.000) 12.003 46.740 ( -3.029 -11.570 0.000) 11.960 46.817 ( 3.078 -20.803 0.000) 21.030 46.835 ( 1.521 -16.900 0.000) 16.969 48.604 ( 8.199 14.007 0.000) 16.230 48.704 ( 7.602 5.998 0.000) 9.684 48.773 ( -9.308 17.752 0.000) 20.045 49.058 ( -20.810 3.558 0.000) 21.112 51.465 ( 1.993 11.413 0.000) 11.586 51.511 ( -1.880 11.340 0.000) 11.495 51.935 ( 0.233 -12.685 0.000) 12.687 51.947 ( -0.958 -11.231 0.000) 11.272 56.946 ( 1.994 9.786 0.000) 9.987 57.000 ( -2.638 8.396 0.000) 8.801 57.170 ( 2.076 4.922 0.000) 5.342 57.188 ( 0.466 5.266 0.000) 5.287 57.409 ( 1.904 -8.467 0.000) 8.678 57.420 ( 0.413 -9.869 0.000) 9.877 57.477 ( 3.150 -8.337 0.000) 8.912 57.525 ( -0.853 -8.564 0.000) 8.607 60.424 ( 0.365 1.720 0.000) 1.758 60.436 ( -0.591 1.724 0.000) 1.823 60.496 ( 1.055 -1.877 0.000) 2.154 60.509 ( -0.076 -1.930 0.000) 1.931 ======================= Grid point 25 (16/54) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.000 -11.358 0.000) 11.358 1.520 ( 0.000 11.358 0.000) 11.358 2.144 ( 0.000 -13.678 0.000) 13.678 2.144 ( 0.000 13.678 0.000) 13.678 2.548 ( 0.000 -7.882 0.000) 7.882 2.548 ( 0.000 7.882 0.000) 7.882 2.552 ( 0.000 -21.388 0.000) 21.388 2.552 ( 0.000 21.388 0.000) 21.388 3.080 ( 0.000 -4.712 0.000) 4.712 3.080 ( 0.000 4.712 0.000) 4.712 3.261 ( 0.000 -10.485 0.000) 10.485 3.261 ( 0.000 10.485 0.000) 10.485 3.404 ( 0.000 -2.559 0.000) 2.559 3.404 ( 0.000 2.559 0.000) 2.559 3.855 ( 0.000 -1.942 0.000) 1.942 3.855 ( 0.000 1.942 0.000) 1.942 3.858 ( 0.000 -3.214 0.000) 3.214 3.858 ( 0.000 3.214 0.000) 3.214 4.367 ( 0.000 -4.475 0.000) 4.475 4.367 ( 0.000 4.475 0.000) 4.475 4.427 ( 0.000 -4.805 0.000) 4.805 4.427 ( 0.000 4.805 0.000) 4.805 4.435 ( 0.000 -0.905 0.000) 0.905 4.435 ( 0.000 0.905 0.000) 0.905 4.471 ( 0.000 -2.795 0.000) 2.795 4.471 ( 0.000 2.795 0.000) 2.795 4.712 ( 0.000 -0.928 0.000) 0.928 4.712 ( 0.000 0.928 0.000) 0.928 4.795 ( 0.000 -0.531 0.000) 0.531 4.795 ( 0.000 0.531 0.000) 0.531 4.900 ( 0.000 -0.604 0.000) 0.604 4.900 ( 0.000 0.604 0.000) 0.604 5.275 ( 0.000 -5.062 0.000) 5.062 5.275 ( 0.000 5.062 0.000) 5.062 5.468 ( 0.000 -6.345 0.000) 6.345 5.468 ( 0.000 6.345 0.000) 6.345 5.568 ( 0.000 -0.605 0.000) 0.605 5.568 ( 0.000 0.605 0.000) 0.605 5.625 ( 0.000 -4.409 0.000) 4.409 5.625 ( 0.000 4.409 0.000) 4.409 5.951 ( 0.000 -6.226 0.000) 6.226 5.951 ( 0.000 6.226 0.000) 6.226 6.030 ( 0.000 -5.623 0.000) 5.623 6.030 ( 0.000 5.623 0.000) 5.623 6.940 ( 0.000 -0.841 0.000) 0.841 6.940 ( 0.000 0.841 0.000) 0.841 7.048 ( 0.000 -0.654 0.000) 0.654 7.048 ( 0.000 0.654 0.000) 0.654 8.578 ( 0.000 -0.295 0.000) 0.295 8.578 ( 0.000 0.295 0.000) 0.295 8.750 ( 0.000 -5.998 0.000) 5.998 8.750 ( 0.000 5.998 0.000) 5.998 13.017 ( 0.000 -1.261 0.000) 1.261 13.017 ( 0.000 1.261 0.000) 1.261 13.128 ( 0.000 -3.899 0.000) 3.899 13.128 ( 0.000 3.899 0.000) 3.899 14.003 ( 0.000 -1.009 0.000) 1.009 14.003 ( 0.000 1.009 0.000) 1.009 14.043 ( 0.000 -1.768 0.000) 1.768 14.043 ( 0.000 1.768 0.000) 1.768 20.206 ( 0.000 -1.313 0.000) 1.313 20.206 ( 0.000 1.313 0.000) 1.313 20.228 ( 0.000 -0.049 0.000) 0.049 20.228 ( 0.000 0.049 0.000) 0.049 20.714 ( 0.000 -0.185 0.000) 0.185 20.714 ( 0.000 0.185 0.000) 0.185 20.791 ( 0.000 -0.180 0.000) 0.180 20.791 ( 0.000 0.180 0.000) 0.180 21.048 ( 0.000 -0.055 0.000) 0.055 21.048 ( 0.000 0.055 0.000) 0.055 21.088 ( 0.000 -0.427 0.000) 0.427 21.088 ( 0.000 0.427 0.000) 0.427 22.400 ( 0.000 -0.570 0.000) 0.570 22.400 ( 0.000 0.570 0.000) 0.570 22.422 ( 0.000 -1.878 0.000) 1.878 22.422 ( 0.000 1.878 0.000) 1.878 23.655 ( 0.000 -0.449 0.000) 0.449 23.655 ( 0.000 0.449 0.000) 0.449 23.663 ( 0.000 -0.045 0.000) 0.045 23.663 ( 0.000 0.045 0.000) 0.045 24.106 ( 0.000 -1.097 0.000) 1.097 24.106 ( 0.000 1.097 0.000) 1.097 24.165 ( 0.000 -1.345 0.000) 1.345 24.165 ( 0.000 1.345 0.000) 1.345 24.612 ( 0.000 -0.100 0.000) 0.100 24.612 ( 0.000 0.100 0.000) 0.100 24.694 ( 0.000 -0.213 0.000) 0.213 24.694 ( 0.000 0.213 0.000) 0.213 26.167 ( 0.000 -0.301 0.000) 0.301 26.167 ( 0.000 0.301 0.000) 0.301 26.175 ( 0.000 -0.212 0.000) 0.212 26.175 ( 0.000 0.212 0.000) 0.212 28.664 ( 0.000 -0.340 0.000) 0.340 28.664 ( 0.000 0.340 0.000) 0.340 28.699 ( 0.000 -0.458 0.000) 0.458 28.699 ( 0.000 0.458 0.000) 0.458 46.451 ( 0.000 -3.694 0.000) 3.694 46.451 ( 0.000 3.694 0.000) 3.694 46.623 ( 0.000 -3.091 0.000) 3.091 46.623 ( 0.000 3.091 0.000) 3.091 48.646 ( 0.000 -8.689 0.000) 8.689 48.646 ( 0.000 8.689 0.000) 8.689 49.469 ( 0.000 -16.689 0.000) 16.689 49.469 ( 0.000 16.689 0.000) 16.689 51.669 ( 0.000 -11.414 0.000) 11.414 51.669 ( 0.000 11.414 0.000) 11.414 51.780 ( 0.000 -11.236 0.000) 11.236 51.780 ( 0.000 11.236 0.000) 11.236 57.159 ( 0.000 -6.781 0.000) 6.781 57.159 ( 0.000 6.781 0.000) 6.781 57.174 ( 0.000 -13.927 0.000) 13.927 57.174 ( 0.000 13.927 0.000) 13.927 57.242 ( 0.000 -7.041 0.000) 7.041 57.242 ( 0.000 7.041 0.000) 7.041 57.291 ( 0.000 -9.555 0.000) 9.555 57.291 ( 0.000 9.555 0.000) 9.555 60.438 ( 0.000 -0.397 0.000) 0.397 60.438 ( 0.000 0.397 0.000) 0.397 60.472 ( 0.000 -0.905 0.000) 0.905 60.472 ( 0.000 0.905 0.000) 0.905 ======================= Grid point 27 (17/54) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 6.470 -11.547 0.000) 13.236 1.593 ( 6.470 11.547 0.000) 13.236 2.224 ( 1.683 -4.112 0.000) 4.443 2.224 ( 1.683 4.112 0.000) 4.443 2.488 ( 0.340 -12.556 0.000) 12.560 2.488 ( 0.340 12.556 0.000) 12.560 2.606 ( 4.572 -20.198 0.000) 20.709 2.606 ( 4.572 20.198 0.000) 20.709 3.103 ( 1.749 -5.523 0.000) 5.793 3.103 ( 1.749 5.523 0.000) 5.793 3.201 ( -4.267 -13.819 0.000) 14.462 3.201 ( -4.267 13.819 0.000) 14.462 3.501 ( 6.236 -1.526 0.000) 6.420 3.501 ( 6.236 1.526 0.000) 6.420 3.816 ( -3.584 -5.332 0.000) 6.424 3.816 ( -3.584 5.332 0.000) 6.424 3.852 ( 0.325 -2.958 0.000) 2.976 3.852 ( 0.325 2.958 0.000) 2.976 4.296 ( -9.152 -3.286 0.000) 9.724 4.296 ( -9.152 3.286 0.000) 9.724 4.372 ( -2.812 -2.494 0.000) 3.758 4.372 ( -2.812 2.494 0.000) 3.758 4.376 ( -3.369 -2.513 0.000) 4.203 4.376 ( -3.369 2.513 0.000) 4.203 4.513 ( 1.178 -4.365 0.000) 4.521 4.513 ( 1.178 4.365 0.000) 4.521 4.618 ( -4.073 -3.969 0.000) 5.687 4.618 ( -4.073 3.969 0.000) 5.687 4.862 ( 3.288 -5.404 0.000) 6.326 4.862 ( 3.288 5.404 0.000) 6.326 4.895 ( 0.802 -2.116 0.000) 2.263 4.895 ( 0.802 2.116 0.000) 2.263 5.220 ( -5.255 -6.883 0.000) 8.660 5.220 ( -5.255 6.883 0.000) 8.660 5.296 ( -8.001 -6.533 0.000) 10.329 5.296 ( -8.001 6.533 0.000) 10.329 5.545 ( 1.680 -2.331 0.000) 2.873 5.545 ( 1.680 2.331 0.000) 2.873 5.821 ( 5.479 -3.569 0.000) 6.539 5.821 ( 5.479 3.569 0.000) 6.539 5.966 ( 5.429 -4.023 0.000) 6.757 5.966 ( 5.429 4.023 0.000) 6.757 6.199 ( 10.635 -5.299 0.000) 11.882 6.199 ( 10.635 5.299 0.000) 11.882 6.901 ( -2.965 -1.134 0.000) 3.174 6.901 ( -2.965 1.134 0.000) 3.174 7.022 ( -2.444 -1.574 0.000) 2.908 7.022 ( -2.444 1.574 0.000) 2.908 8.595 ( 1.455 -1.881 0.000) 2.379 8.595 ( 1.455 1.881 0.000) 2.379 8.734 ( -1.449 -5.717 0.000) 5.897 8.734 ( -1.449 5.717 0.000) 5.897 13.025 ( 0.732 -1.818 0.000) 1.960 13.025 ( 0.732 1.818 0.000) 1.960 13.114 ( -1.126 -3.803 0.000) 3.966 13.114 ( -1.126 3.803 0.000) 3.966 14.009 ( 0.475 -1.484 0.000) 1.558 14.009 ( 0.475 1.484 0.000) 1.558 14.041 ( -0.210 -1.942 0.000) 1.954 14.041 ( -0.210 1.942 0.000) 1.954 20.207 ( 0.091 -1.249 0.000) 1.252 20.207 ( 0.091 1.249 0.000) 1.252 20.225 ( -0.298 -0.339 0.000) 0.452 20.225 ( -0.298 0.339 0.000) 0.452 20.720 ( 0.540 -0.188 0.000) 0.572 20.720 ( 0.540 0.188 0.000) 0.572 20.782 ( -0.772 -0.186 0.000) 0.795 20.782 ( -0.772 0.186 0.000) 0.795 21.053 ( 0.449 -0.092 0.000) 0.458 21.053 ( 0.449 0.092 0.000) 0.458 21.085 ( -0.251 -0.383 0.000) 0.458 21.085 ( -0.251 0.383 0.000) 0.458 22.404 ( 0.299 -0.752 0.000) 0.809 22.404 ( 0.299 0.752 0.000) 0.809 22.422 ( -0.064 -1.760 0.000) 1.761 22.422 ( -0.064 1.760 0.000) 1.761 23.658 ( 0.270 -0.441 0.000) 0.517 23.658 ( 0.270 0.441 0.000) 0.517 23.664 ( 0.098 -0.106 0.000) 0.144 23.664 ( 0.098 0.106 0.000) 0.144 24.109 ( 0.292 -1.233 0.000) 1.268 24.109 ( 0.292 1.233 0.000) 1.268 24.157 ( -0.660 -1.409 0.000) 1.556 24.157 ( -0.660 1.409 0.000) 1.556 24.619 ( 0.646 -0.247 0.000) 0.692 24.619 ( 0.646 0.247 0.000) 0.692 24.685 ( -0.744 -0.361 0.000) 0.827 24.685 ( -0.744 0.361 0.000) 0.827 26.168 ( 0.071 -0.304 0.000) 0.313 26.168 ( 0.071 0.304 0.000) 0.313 26.174 ( -0.065 -0.237 0.000) 0.245 26.174 ( -0.065 0.237 0.000) 0.245 28.668 ( 0.323 -0.368 0.000) 0.489 28.668 ( 0.323 0.368 0.000) 0.489 28.696 ( -0.267 -0.459 0.000) 0.531 28.696 ( -0.267 0.459 0.000) 0.531 46.486 ( 3.048 -4.051 0.000) 5.070 46.486 ( 3.048 4.051 0.000) 5.070 46.641 ( 1.091 -1.889 0.000) 2.181 46.641 ( 1.091 1.889 0.000) 2.181 48.656 ( 1.628 -6.237 0.000) 6.445 48.656 ( 1.628 6.237 0.000) 6.445 49.331 ( -11.660 -13.713 0.000) 18.000 49.331 ( -11.660 13.713 0.000) 18.000 51.675 ( 0.553 -12.303 0.000) 12.316 51.675 ( 0.553 12.303 0.000) 12.316 51.766 ( -1.263 -11.035 0.000) 11.107 51.766 ( -1.263 11.035 0.000) 11.107 57.164 ( -0.402 -13.114 0.000) 13.120 57.164 ( -0.402 13.114 0.000) 13.120 57.192 ( 1.518 -8.202 0.000) 8.341 57.192 ( 1.518 8.202 0.000) 8.341 57.252 ( 1.682 -8.067 0.000) 8.240 57.252 ( 1.682 8.067 0.000) 8.240 57.323 ( 2.084 -9.260 0.000) 9.491 57.323 ( 2.084 9.260 0.000) 9.491 60.445 ( 0.548 -1.165 0.000) 1.288 60.445 ( 0.548 1.165 0.000) 1.288 60.473 ( 0.071 -1.377 0.000) 1.379 60.473 ( 0.071 1.377 0.000) 1.379 ======================= Grid point 29 (18/54) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 11.146 -10.752 0.000) 15.487 1.790 ( 11.146 10.752 0.000) 15.487 2.056 ( -12.235 -7.816 0.000) 14.518 2.056 ( -12.235 7.816 0.000) 14.518 2.681 ( 9.766 -12.461 0.000) 15.832 2.681 ( 9.766 12.461 0.000) 15.832 2.721 ( 4.441 -16.278 0.000) 16.873 2.721 ( 4.441 16.278 0.000) 16.873 3.108 ( -2.618 -16.097 0.000) 16.308 3.108 ( -2.618 16.097 0.000) 16.308 3.121 ( -1.071 -9.410 0.000) 9.471 3.121 ( -1.071 9.410 0.000) 9.471 3.625 ( 4.941 -5.844 0.000) 7.653 3.625 ( 4.941 5.844 0.000) 7.653 3.723 ( -4.348 -6.938 0.000) 8.188 3.723 ( -4.348 6.938 0.000) 8.188 3.882 ( 2.604 -5.123 0.000) 5.746 3.882 ( 2.604 5.123 0.000) 5.746 4.027 ( -11.497 -3.298 0.000) 11.961 4.027 ( -11.497 3.298 0.000) 11.961 4.315 ( -1.240 -0.628 0.000) 1.390 4.315 ( -1.240 0.629 0.000) 1.390 4.328 ( -1.660 -3.222 0.000) 3.625 4.328 ( -1.660 3.222 0.000) 3.625 4.522 ( 0.536 -3.995 0.000) 4.030 4.522 ( 0.536 3.995 0.000) 4.030 4.554 ( -2.257 -4.382 0.000) 4.929 4.554 ( -2.257 4.382 0.000) 4.929 4.928 ( 2.716 -3.987 0.000) 4.824 4.928 ( 2.716 3.987 0.000) 4.824 4.946 ( 2.173 -2.043 0.000) 2.983 4.946 ( 2.173 2.043 0.000) 2.983 5.115 ( -2.378 -8.452 0.000) 8.780 5.115 ( -2.378 8.452 0.000) 8.780 5.157 ( -4.875 -7.471 0.000) 8.921 5.157 ( -4.875 7.471 0.000) 8.921 5.644 ( 6.095 -2.956 0.000) 6.775 5.644 ( 6.095 2.956 0.000) 6.775 5.776 ( -5.343 -3.235 0.000) 6.246 5.776 ( -5.343 3.235 0.000) 6.246 6.198 ( 10.809 -4.380 0.000) 11.663 6.198 ( 10.809 4.380 0.000) 11.663 6.339 ( -0.146 -5.457 0.000) 5.459 6.339 ( -0.146 5.457 0.000) 5.459 6.865 ( 1.159 -2.540 0.000) 2.792 6.865 ( 1.159 2.540 0.000) 2.792 6.943 ( -4.468 -2.739 0.000) 5.241 6.943 ( -4.468 2.739 0.000) 5.241 8.638 ( 2.343 -3.555 0.000) 4.257 8.638 ( 2.343 3.555 0.000) 4.257 8.691 ( -2.339 -4.881 0.000) 5.413 8.691 ( -2.339 4.881 0.000) 5.413 13.049 ( 1.382 -2.735 0.000) 3.064 13.049 ( 1.382 2.735 0.000) 3.064 13.083 ( -1.624 -3.438 0.000) 3.803 13.083 ( -1.624 3.438 0.000) 3.803 14.021 ( 0.632 -2.042 0.000) 2.137 14.021 ( 0.632 2.042 0.000) 2.137 14.034 ( -0.470 -2.166 0.000) 2.217 14.034 ( -0.470 2.166 0.000) 2.217 20.210 ( 0.234 -1.050 0.000) 1.076 20.210 ( 0.234 1.050 0.000) 1.076 20.217 ( -0.360 -0.723 0.000) 0.808 20.217 ( -0.360 0.723 0.000) 0.808 20.737 ( 0.959 -0.195 0.000) 0.979 20.737 ( 0.959 0.195 0.000) 0.979 20.760 ( -1.096 -0.196 0.000) 1.113 20.760 ( -1.096 0.196 0.000) 1.113 21.065 ( 0.593 -0.170 0.000) 0.616 21.065 ( 0.593 0.170 0.000) 0.616 21.077 ( -0.477 -0.279 0.000) 0.553 21.077 ( -0.477 0.279 0.000) 0.553 22.412 ( 0.375 -1.103 0.000) 1.165 22.412 ( 0.375 1.103 0.000) 1.165 22.419 ( -0.230 -1.465 0.000) 1.483 22.419 ( -0.230 1.465 0.000) 1.483 23.664 ( 0.208 -0.370 0.000) 0.425 23.664 ( 0.208 0.370 0.000) 0.425 23.666 ( 0.022 -0.234 0.000) 0.235 23.666 ( 0.022 0.234 0.000) 0.235 24.120 ( 0.697 -1.441 0.000) 1.601 24.120 ( 0.697 1.441 0.000) 1.601 24.139 ( -0.928 -1.495 0.000) 1.760 24.139 ( -0.928 1.495 0.000) 1.760 24.638 ( 1.082 -0.421 0.000) 1.161 24.638 ( 1.082 0.421 0.000) 1.161 24.664 ( -1.141 -0.480 0.000) 1.238 24.664 ( -1.141 0.480 0.000) 1.238 26.170 ( 0.113 -0.303 0.000) 0.323 26.170 ( 0.113 0.303 0.000) 0.323 26.172 ( -0.109 -0.280 0.000) 0.300 26.172 ( -0.109 0.280 0.000) 0.300 28.677 ( 0.492 -0.419 0.000) 0.646 28.677 ( 0.492 0.419 0.000) 0.646 28.688 ( -0.458 -0.452 0.000) 0.643 28.688 ( -0.458 0.452 0.000) 0.643 46.571 ( 4.172 -4.049 0.000) 5.814 46.571 ( 4.172 4.049 0.000) 5.814 46.641 ( -1.634 -2.341 0.000) 2.855 46.641 ( -1.634 2.341 0.000) 2.855 48.760 ( 8.531 -1.885 0.000) 8.737 48.760 ( 8.531 1.885 0.000) 8.737 49.024 ( -14.584 -7.437 0.000) 16.371 49.024 ( -14.584 7.437 0.000) 16.371 51.695 ( 1.323 -12.030 0.000) 12.103 51.695 ( 1.323 12.030 0.000) 12.103 51.730 ( -1.790 -11.081 0.000) 11.225 51.730 ( -1.790 11.081 0.000) 11.225 57.168 ( 0.748 -11.620 0.000) 11.644 57.168 ( 0.748 11.620 0.000) 11.644 57.190 ( -0.988 -9.568 0.000) 9.619 57.190 ( -0.988 9.568 0.000) 9.619 57.319 ( 3.033 -6.498 0.000) 7.171 57.319 ( 3.033 6.498 0.000) 7.171 57.352 ( 0.123 -7.829 0.000) 7.830 57.352 ( 0.123 7.829 0.000) 7.830 60.459 ( 0.711 -1.841 0.000) 1.973 60.459 ( 0.711 1.841 0.000) 1.973 60.471 ( -0.317 -1.898 0.000) 1.924 60.471 ( -0.317 1.898 0.000) 1.924 ======================= Grid point 55 (19/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 0.000 22.880) 22.880 0.549 ( 0.000 0.000 25.362) 25.362 0.973 ( 0.000 0.000 43.164) 43.164 1.728 ( 0.000 0.000 -7.941) 7.941 1.748 ( 0.000 0.000 -10.953) 10.953 1.895 ( 0.000 0.000 0.612) 0.612 2.059 ( 0.000 0.000 1.846) 1.846 2.103 ( 0.000 0.000 -4.829) 4.829 2.106 ( 0.000 0.000 1.928) 1.928 2.488 ( 0.000 0.000 2.963) 2.963 2.592 ( 0.000 0.000 18.655) 18.655 3.136 ( 0.000 0.000 1.695) 1.695 3.204 ( 0.000 0.000 -0.387) 0.387 3.367 ( 0.000 0.000 -13.108) 13.108 3.527 ( 0.000 0.000 -15.884) 15.884 3.732 ( 0.000 0.000 4.732) 4.732 3.842 ( 0.000 0.000 -9.583) 9.583 3.985 ( 0.000 0.000 -0.525) 0.525 4.031 ( 0.000 0.000 -10.545) 10.545 4.052 ( 0.000 0.000 -1.567) 1.567 4.153 ( 0.000 0.000 6.319) 6.319 4.262 ( 0.000 0.000 0.119) 0.119 4.430 ( 0.000 0.000 -2.100) 2.100 4.636 ( 0.000 0.000 -4.590) 4.590 4.655 ( 0.000 0.000 6.019) 6.019 4.810 ( 0.000 0.000 4.822) 4.822 4.942 ( 0.000 0.000 0.340) 0.340 5.008 ( 0.000 0.000 -0.191) 0.191 5.132 ( 0.000 0.000 1.055) 1.055 5.211 ( 0.000 0.000 -4.803) 4.803 5.271 ( 0.000 0.000 -2.444) 2.444 5.324 ( 0.000 0.000 -8.579) 8.579 5.411 ( 0.000 0.000 6.042) 6.042 5.499 ( 0.000 0.000 1.510) 1.510 5.611 ( 0.000 0.000 4.149) 4.149 5.631 ( 0.000 0.000 1.050) 1.050 5.638 ( 0.000 0.000 6.163) 6.163 5.655 ( 0.000 0.000 -2.025) 2.025 5.777 ( 0.000 0.000 -2.316) 2.316 5.800 ( 0.000 0.000 -4.166) 4.166 5.927 ( 0.000 0.000 -2.481) 2.481 6.087 ( 0.000 0.000 -8.600) 8.600 6.089 ( 0.000 0.000 8.874) 8.874 6.512 ( 0.000 0.000 -2.694) 2.694 6.630 ( 0.000 0.000 7.382) 7.382 6.923 ( 0.000 0.000 -1.372) 1.372 7.008 ( 0.000 0.000 3.898) 3.898 7.128 ( 0.000 0.000 0.773) 0.773 7.742 ( 0.000 0.000 2.686) 2.686 8.020 ( 0.000 0.000 -3.169) 3.169 8.171 ( 0.000 0.000 6.742) 6.742 8.657 ( 0.000 0.000 -4.110) 4.110 13.048 ( 0.000 0.000 0.139) 0.139 13.060 ( 0.000 0.000 -0.125) 0.125 13.147 ( 0.000 0.000 0.771) 0.771 13.212 ( 0.000 0.000 0.381) 0.381 13.249 ( 0.000 0.000 -0.422) 0.422 13.303 ( 0.000 0.000 -2.360) 2.360 13.346 ( 0.000 0.000 2.971) 2.971 13.588 ( 0.000 0.000 -2.515) 2.515 19.971 ( 0.000 0.000 1.011) 1.011 20.030 ( 0.000 0.000 1.395) 1.395 20.112 ( 0.000 0.000 -1.939) 1.939 20.131 ( 0.000 0.000 -0.924) 0.924 20.922 ( 0.000 0.000 -0.029) 0.029 20.928 ( 0.000 0.000 -0.187) 0.187 20.945 ( 0.000 0.000 0.364) 0.364 20.962 ( 0.000 0.000 -0.022) 0.022 20.977 ( 0.000 0.000 0.620) 0.620 20.994 ( 0.000 0.000 0.473) 0.473 21.003 ( 0.000 0.000 -0.134) 0.134 21.049 ( 0.000 0.000 -0.543) 0.543 22.594 ( 0.000 0.000 1.294) 1.294 22.661 ( 0.000 0.000 0.873) 0.873 22.700 ( 0.000 0.000 -0.983) 0.983 22.756 ( 0.000 0.000 -1.180) 1.180 23.632 ( 0.000 0.000 -0.027) 0.027 23.632 ( 0.000 0.000 -0.088) 0.088 23.658 ( 0.000 0.000 0.552) 0.552 23.700 ( 0.000 0.000 -0.408) 0.408 24.051 ( 0.000 0.000 0.341) 0.341 24.075 ( 0.000 0.000 -0.138) 0.138 24.257 ( 0.000 0.000 -0.023) 0.023 24.258 ( 0.000 0.000 -0.087) 0.087 24.576 ( 0.000 0.000 -0.070) 0.070 24.588 ( 0.000 0.000 -0.222) 0.222 24.618 ( 0.000 0.000 0.937) 0.937 24.686 ( 0.000 0.000 -0.649) 0.649 26.318 ( 0.000 0.000 0.219) 0.219 26.341 ( 0.000 0.000 -0.291) 0.291 26.351 ( 0.000 0.000 0.096) 0.096 26.357 ( 0.000 0.000 -0.007) 0.007 28.710 ( 0.000 0.000 0.855) 0.855 28.748 ( 0.000 0.000 0.087) 0.087 28.757 ( 0.000 0.000 -0.030) 0.030 28.790 ( 0.000 0.000 -0.803) 0.803 46.313 ( 0.000 0.000 1.083) 1.083 46.455 ( 0.000 0.000 -1.838) 1.838 46.844 ( 0.000 0.000 5.170) 5.170 47.284 ( 0.000 0.000 -4.505) 4.505 48.184 ( 0.000 0.000 2.950) 2.950 48.564 ( 0.000 0.000 -7.007) 7.007 49.024 ( 0.000 0.000 10.229) 10.229 49.803 ( 0.000 0.000 -7.967) 7.967 51.137 ( 0.000 0.000 13.919) 13.919 52.453 ( 0.000 0.000 -16.177) 16.177 52.786 ( 0.000 0.000 3.342) 3.342 53.151 ( 0.000 0.000 -5.273) 5.273 56.815 ( 0.000 0.000 0.204) 0.204 56.832 ( 0.000 0.000 -0.168) 0.168 56.895 ( 0.000 0.000 0.493) 0.493 56.938 ( 0.000 0.000 -0.428) 0.428 57.363 ( 0.000 0.000 0.004) 0.004 57.373 ( 0.000 0.000 -0.043) 0.043 57.397 ( 0.000 0.000 1.081) 1.081 57.420 ( 0.000 0.000 0.168) 0.168 60.419 ( 0.000 0.000 -1.498) 1.498 60.476 ( 0.000 0.000 1.511) 1.511 60.527 ( 0.000 0.000 0.428) 0.428 60.575 ( 0.000 0.000 3.790) 3.790 ======================= Grid point 56 (20/54) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 11.489 0.000 18.484) 21.764 0.781 ( 16.868 0.000 17.083) 24.007 1.331 ( 27.189 0.000 24.128) 36.351 1.584 ( -10.533 0.000 -2.543) 10.836 1.710 ( -5.503 0.000 -0.766) 5.556 1.957 ( 3.323 0.000 -3.555) 4.866 1.987 ( 2.313 0.000 0.164) 2.319 2.091 ( -1.071 0.000 -5.008) 5.122 2.248 ( 2.027 0.000 -5.897) 6.236 2.463 ( 3.207 0.000 7.825) 8.457 2.617 ( 0.033 0.000 14.875) 14.875 3.144 ( 0.724 0.000 1.696) 1.844 3.203 ( -0.201 0.000 0.002) 0.201 3.323 ( -1.580 0.000 -11.962) 12.066 3.575 ( 0.529 0.000 -10.375) 10.389 3.697 ( -0.122 0.000 1.652) 1.656 3.903 ( 3.478 0.000 -11.649) 12.157 3.976 ( -0.379 0.000 -0.611) 0.719 4.031 ( -0.072 0.000 -11.792) 11.793 4.042 ( -1.000 0.000 -1.879) 2.128 4.193 ( 3.366 0.000 5.796) 6.702 4.275 ( 0.558 0.000 1.427) 1.533 4.435 ( -1.538 0.000 -4.124) 4.401 4.548 ( -5.940 0.000 -0.335) 5.949 4.629 ( 2.355 0.000 6.028) 6.471 4.794 ( -12.550 0.000 -4.802) 13.438 4.797 ( -12.895 0.000 1.863) 13.029 4.903 ( 6.253 0.000 0.508) 6.274 5.048 ( -5.269 0.000 2.605) 5.877 5.120 ( -8.945 0.000 0.138) 8.946 5.254 ( 2.802 0.000 -1.865) 3.366 5.287 ( -3.388 0.000 -7.859) 8.559 5.419 ( -1.584 0.000 -0.240) 1.602 5.444 ( -3.669 0.000 3.038) 4.763 5.502 ( 0.296 0.000 1.735) 1.760 5.571 ( -2.583 0.000 3.714) 4.524 5.669 ( 1.872 0.000 1.338) 2.301 5.739 ( 4.135 0.000 -0.073) 4.135 5.810 ( -5.144 0.000 4.897) 7.102 5.916 ( -0.990 0.000 -2.329) 2.530 6.001 ( 7.944 0.000 0.947) 8.001 6.103 ( 4.611 0.000 -1.991) 5.023 6.238 ( 10.746 0.000 0.915) 10.785 6.538 ( 0.680 0.000 -5.335) 5.378 6.746 ( 7.512 0.000 4.300) 8.656 6.901 ( -1.971 0.000 -0.011) 1.971 6.957 ( -3.123 0.000 3.431) 4.639 7.100 ( -1.188 0.000 -0.357) 1.241 7.773 ( 2.686 0.000 3.094) 4.097 8.008 ( -1.585 0.000 1.002) 1.875 8.210 ( 3.877 0.000 2.096) 4.407 8.612 ( -3.972 0.000 -4.047) 5.670 13.041 ( -0.459 0.000 0.139) 0.480 13.054 ( -0.528 0.000 -0.133) 0.545 13.153 ( 0.551 0.000 1.030) 1.168 13.226 ( 1.074 0.000 0.276) 1.109 13.253 ( 0.302 0.000 -0.311) 0.434 13.256 ( -2.659 0.000 1.686) 3.149 13.379 ( 2.859 0.000 0.189) 2.865 13.583 ( -1.294 0.000 -3.099) 3.358 19.974 ( 0.288 0.000 1.053) 1.092 20.020 ( -0.775 0.000 1.309) 1.521 20.116 ( 0.345 0.000 -1.775) 1.808 20.131 ( -0.049 0.000 -1.011) 1.012 20.912 ( -0.194 0.000 0.606) 0.637 20.932 ( 0.198 0.000 -0.225) 0.300 20.941 ( -0.331 0.000 0.234) 0.405 20.960 ( -0.194 0.000 -0.081) 0.211 20.978 ( 0.073 0.000 0.602) 0.606 20.990 ( -0.262 0.000 0.458) 0.528 21.010 ( 0.490 0.000 -0.150) 0.513 21.045 ( -0.336 0.000 -0.512) 0.613 22.617 ( 1.117 0.000 0.216) 1.137 22.655 ( -0.429 0.000 0.698) 0.819 22.710 ( 0.764 0.000 -0.785) 1.096 22.752 ( -0.293 0.000 -1.107) 1.145 23.632 ( 0.130 0.000 -0.024) 0.132 23.636 ( 0.294 0.000 0.022) 0.295 23.658 ( 0.045 0.000 0.405) 0.407 23.694 ( -0.484 0.000 -0.374) 0.612 24.051 ( -0.199 0.000 0.550) 0.584 24.069 ( -0.505 0.000 0.007) 0.505 24.210 ( -0.757 0.000 1.836) 1.986 24.269 ( -0.572 0.000 -0.633) 0.853 24.578 ( 0.225 0.000 0.016) 0.225 24.592 ( 0.223 0.000 -0.015) 0.224 24.620 ( 0.254 0.000 0.596) 0.648 24.678 ( -0.708 0.000 -0.601) 0.929 26.320 ( 0.092 0.000 0.218) 0.237 26.334 ( -0.457 0.000 0.339) 0.569 26.347 ( 0.015 0.000 -0.025) 0.029 26.356 ( -0.104 0.000 -0.042) 0.113 28.713 ( 0.283 0.000 0.788) 0.837 28.742 ( -0.400 0.000 0.445) 0.599 28.767 ( 0.516 0.000 -0.726) 0.891 28.790 ( -0.094 0.000 -0.694) 0.700 46.363 ( 4.417 0.000 1.465) 4.654 46.533 ( 6.843 0.000 -2.078) 7.152 46.793 ( -4.514 0.000 4.768) 6.566 47.204 ( -7.107 0.000 -4.238) 8.275 48.439 ( 7.471 0.000 -1.123) 7.555 48.874 ( 2.271 0.000 -3.053) 3.805 49.269 ( 31.519 0.000 -29.446) 43.134 49.843 ( 3.121 0.000 -10.848) 11.288 51.151 ( 1.787 0.000 15.326) 15.430 52.147 ( -36.277 0.000 32.217) 48.517 52.498 ( 0.599 0.000 -15.431) 15.443 52.940 ( -9.613 0.000 -6.393) 11.545 56.725 ( -5.106 0.000 0.062) 5.106 56.727 ( -4.888 0.000 0.002) 4.888 57.007 ( 5.498 0.000 0.205) 5.501 57.025 ( 4.843 0.000 -0.174) 4.846 57.339 ( -0.585 0.000 1.713) 1.810 57.381 ( -0.343 0.000 0.911) 0.973 57.448 ( 2.882 0.000 0.328) 2.900 57.453 ( 2.150 0.000 0.113) 2.153 60.389 ( -1.205 0.000 0.579) 1.337 60.468 ( -1.993 0.000 1.059) 2.257 60.569 ( 3.420 0.000 2.142) 4.035 60.622 ( 2.532 0.000 2.955) 3.892 ======================= Grid point 57 (21/54) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 14.786 0.000 9.492) 17.571 1.146 ( 16.333 0.000 13.169) 20.980 1.311 ( -13.950 0.000 2.966) 14.262 1.482 ( -13.781 0.000 9.136) 16.534 1.850 ( 16.947 0.000 -0.579) 16.957 2.016 ( 2.201 0.000 -5.312) 5.749 2.059 ( -1.739 0.000 -5.395) 5.668 2.131 ( -9.714 0.000 -5.850) 11.339 2.195 ( 13.990 0.000 8.977) 16.622 2.467 ( -9.112 0.000 12.029) 15.090 2.823 ( 21.942 0.000 2.943) 22.138 3.166 ( 1.214 0.000 1.521) 1.946 3.191 ( -0.914 0.000 0.872) 1.263 3.255 ( -10.793 0.000 -4.454) 11.676 3.528 ( 0.961 0.000 -3.812) 3.931 3.659 ( -6.935 0.000 -0.851) 6.987 3.981 ( 0.919 0.000 -1.367) 1.647 3.983 ( 4.626 0.000 -15.434) 16.112 4.011 ( -1.610 0.000 -1.933) 2.516 4.041 ( 0.244 0.000 -14.054) 14.056 4.289 ( 5.177 0.000 4.564) 6.902 4.295 ( 1.689 0.000 0.447) 1.748 4.371 ( -3.035 0.000 -3.923) 4.960 4.413 ( -6.050 0.000 2.683) 6.618 4.474 ( -5.565 0.000 -0.458) 5.583 4.578 ( -9.918 0.000 -4.420) 10.858 4.833 ( 10.791 0.000 4.424) 11.663 4.945 ( -2.703 0.000 1.698) 3.192 4.980 ( -2.802 0.000 3.891) 4.795 5.047 ( 6.592 0.000 -2.851) 7.182 5.122 ( -11.601 0.000 2.773) 11.928 5.184 ( -5.717 0.000 -5.617) 8.015 5.482 ( 4.596 0.000 -0.791) 4.664 5.512 ( 0.627 0.000 2.343) 2.425 5.512 ( 8.326 0.000 1.890) 8.538 5.531 ( -1.225 0.000 3.183) 3.411 5.587 ( -4.820 0.000 2.663) 5.507 5.727 ( -7.850 0.000 1.032) 7.917 5.822 ( 3.320 0.000 -1.132) 3.508 5.882 ( -2.140 0.000 -1.880) 2.849 6.087 ( 6.177 0.000 0.863) 6.237 6.201 ( -0.826 0.000 -1.702) 1.892 6.445 ( 6.663 0.000 -0.203) 6.666 6.524 ( -1.193 0.000 -1.794) 2.154 6.843 ( -0.395 0.000 1.258) 1.318 6.853 ( -1.567 0.000 1.276) 2.021 6.966 ( 5.098 0.000 2.990) 5.910 7.064 ( -2.861 0.000 -0.150) 2.865 7.852 ( 4.245 0.000 3.993) 5.828 7.945 ( -3.909 0.000 4.201) 5.739 8.335 ( 7.012 0.000 -2.355) 7.397 8.492 ( -6.730 0.000 -3.698) 7.679 13.035 ( -0.009 0.000 0.055) 0.055 13.041 ( -0.519 0.000 -0.078) 0.525 13.172 ( 1.252 0.000 1.593) 2.026 13.207 ( -1.882 0.000 2.099) 2.819 13.248 ( 0.798 0.000 0.093) 0.804 13.257 ( -0.030 0.000 -0.100) 0.104 13.454 ( 3.704 0.000 -1.504) 3.997 13.532 ( -3.140 0.000 -2.475) 3.998 19.984 ( 0.619 0.000 1.144) 1.301 20.001 ( -0.885 0.000 1.223) 1.509 20.124 ( 0.300 0.000 -1.504) 1.534 20.129 ( -0.153 0.000 -1.233) 1.242 20.915 ( 0.416 0.000 0.382) 0.565 20.927 ( -0.564 0.000 0.158) 0.586 20.943 ( 0.426 0.000 -0.066) 0.431 20.953 ( -0.423 0.000 -0.132) 0.443 20.980 ( 0.151 0.000 0.564) 0.584 20.984 ( -0.218 0.000 0.518) 0.562 21.022 ( 0.599 0.000 -0.290) 0.665 21.035 ( -0.553 0.000 -0.423) 0.697 22.635 ( 0.577 0.000 0.452) 0.733 22.645 ( -0.441 0.000 0.596) 0.741 22.728 ( 0.799 0.000 -0.788) 1.122 22.743 ( -0.576 0.000 -0.940) 1.103 23.636 ( 0.208 0.000 0.123) 0.242 23.640 ( -0.037 0.000 0.206) 0.209 23.665 ( 0.576 0.000 -0.030) 0.577 23.680 ( -0.757 0.000 -0.269) 0.803 24.047 ( 0.089 0.000 0.693) 0.698 24.056 ( -0.587 0.000 0.406) 0.714 24.219 ( 1.118 0.000 0.434) 1.199 24.247 ( -1.251 0.000 -0.309) 1.289 24.585 ( 0.359 0.000 0.228) 0.425 24.592 ( -0.214 0.000 0.349) 0.409 24.633 ( 0.964 0.000 -0.128) 0.972 24.657 ( -1.112 0.000 -0.454) 1.201 26.322 ( 0.160 0.000 0.228) 0.279 26.327 ( -0.234 0.000 0.287) 0.371 26.349 ( 0.147 0.000 -0.125) 0.193 26.353 ( -0.157 0.000 -0.103) 0.187 28.722 ( 0.458 0.000 0.642) 0.789 28.732 ( -0.481 0.000 0.496) 0.691 28.777 ( 0.408 0.000 -0.627) 0.748 28.785 ( -0.314 0.000 -0.587) 0.666 46.495 ( 7.199 0.000 2.472) 7.611 46.658 ( -7.072 0.000 3.662) 7.964 46.738 ( 11.015 0.000 -2.656) 11.331 46.994 ( -11.364 0.000 -3.551) 11.906 48.606 ( 8.146 0.000 3.806) 8.991 48.781 ( -7.162 0.000 5.660) 9.129 49.778 ( 12.723 0.000 -32.291) 34.707 49.895 ( 0.177 0.000 -19.435) 19.436 51.248 ( 7.891 0.000 20.331) 21.809 51.536 ( -19.355 0.000 29.393) 35.194 52.568 ( 5.337 0.000 -16.232) 17.087 52.729 ( -9.043 0.000 -12.686) 15.579 56.645 ( -1.866 0.000 0.030) 1.866 56.648 ( -2.043 0.000 -0.017) 2.043 57.097 ( 2.316 0.000 0.097) 2.318 57.102 ( 1.807 0.000 -0.024) 1.807 57.342 ( 0.751 0.000 2.674) 2.778 57.364 ( -1.051 0.000 2.570) 2.777 57.491 ( 1.194 0.000 -0.022) 1.194 57.495 ( 1.015 0.000 0.059) 1.017 60.384 ( 0.748 0.000 2.203) 2.326 60.418 ( -2.178 0.000 2.651) 3.431 60.634 ( 2.178 0.000 2.293) 3.162 60.655 ( 0.323 0.000 2.623) 2.643 ======================= Grid point 60 (22/54) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 13.589 17.042) 21.796 0.817 ( 0.000 17.471 20.290) 26.775 1.326 ( 0.000 33.226 25.403) 41.824 1.766 ( 0.000 4.444 -6.110) 7.555 1.954 ( 0.000 19.946 -8.809) 21.804 2.073 ( 0.000 7.583 0.973) 7.645 2.110 ( 0.000 -1.539 -0.091) 1.542 2.179 ( 0.000 17.146 -1.138) 17.184 2.190 ( 0.000 0.726 -2.655) 2.752 2.384 ( 0.000 2.201 6.858) 7.203 2.607 ( 0.000 2.392 15.603) 15.785 3.203 ( 0.000 1.252 -7.301) 7.407 3.273 ( 0.000 3.706 -1.892) 4.161 3.368 ( 0.000 0.982 -7.160) 7.227 3.542 ( 0.000 1.198 -16.143) 16.187 3.638 ( 0.000 -7.236 4.457) 8.499 3.817 ( 0.000 -2.210 -9.097) 9.362 3.977 ( 0.000 -4.036 -2.361) 4.676 3.999 ( 0.000 0.750 -0.467) 0.883 4.058 ( 0.000 0.734 -3.238) 3.320 4.171 ( 0.000 2.629 -1.264) 2.917 4.346 ( 0.000 6.260 3.002) 6.943 4.480 ( 0.000 3.458 1.005) 3.601 4.629 ( 0.000 0.837 0.258) 0.876 4.717 ( 0.000 -6.457 4.896) 8.103 4.738 ( 0.000 2.945 -6.425) 7.068 4.991 ( 0.000 -1.527 -0.645) 1.658 5.003 ( 0.000 2.889 -1.581) 3.293 5.094 ( 0.000 -3.268 1.367) 3.543 5.125 ( 0.000 -9.042 -0.999) 9.097 5.229 ( 0.000 1.773 -5.366) 5.651 5.316 ( 0.000 -5.544 -4.034) 6.857 5.411 ( 0.000 -0.991 5.904) 5.986 5.437 ( 0.000 -5.249 -1.372) 5.426 5.495 ( 0.000 -5.900 3.493) 6.856 5.563 ( 0.000 -6.747 -0.702) 6.783 5.621 ( 0.000 0.125 3.328) 3.331 5.641 ( 0.000 0.415 1.285) 1.351 5.757 ( 0.000 -4.208 -3.626) 5.555 5.919 ( 0.000 5.583 -0.796) 5.639 5.922 ( 0.000 -0.810 -1.572) 1.769 6.091 ( 0.000 0.246 9.707) 9.710 6.138 ( 0.000 2.557 -4.958) 5.579 6.564 ( 0.000 -2.628 1.226) 2.900 6.630 ( 0.000 6.815 -0.093) 6.816 6.903 ( 0.000 -11.861 4.716) 12.765 6.912 ( 0.000 -1.188 -1.945) 2.279 6.981 ( 0.000 -1.947 2.398) 3.089 7.856 ( 0.000 10.566 2.904) 10.958 8.119 ( 0.000 7.147 -1.257) 7.257 8.223 ( 0.000 5.073 6.489) 8.236 8.683 ( 0.000 2.511 -3.799) 4.554 13.089 ( 0.000 1.092 0.694) 1.294 13.144 ( 0.000 8.157 -0.287) 8.162 13.168 ( 0.000 3.533 -0.183) 3.537 13.257 ( 0.000 0.403 2.676) 2.706 13.269 ( 0.000 1.725 -1.529) 2.305 13.295 ( 0.000 3.132 -0.344) 3.150 13.380 ( 0.000 6.216 1.121) 6.317 13.561 ( 0.000 -2.596 -2.299) 3.468 19.993 ( 0.000 2.001 1.021) 2.247 20.096 ( 0.000 3.911 -1.798) 4.305 20.122 ( 0.000 1.075 -1.815) 2.109 20.143 ( 0.000 1.111 -0.804) 1.372 20.893 ( 0.000 -2.260 0.622) 2.344 20.906 ( 0.000 -2.011 0.099) 2.013 20.931 ( 0.000 -1.302 0.364) 1.352 20.947 ( 0.000 -1.373 -0.040) 1.374 20.993 ( 0.000 1.241 0.321) 1.282 21.001 ( 0.000 0.628 0.378) 0.733 21.011 ( 0.000 0.525 -0.258) 0.584 21.055 ( 0.000 0.564 -0.569) 0.802 22.573 ( 0.000 -2.024 1.241) 2.375 22.637 ( 0.000 -2.422 0.865) 2.572 22.673 ( 0.000 -2.605 -0.899) 2.756 22.730 ( 0.000 -2.529 -1.158) 2.781 23.633 ( 0.000 0.124 -0.068) 0.142 23.642 ( 0.000 0.572 -0.543) 0.789 23.659 ( 0.000 0.095 0.528) 0.536 23.697 ( 0.000 -0.293 -0.337) 0.447 24.052 ( 0.000 0.138 0.310) 0.339 24.076 ( 0.000 0.217 -0.248) 0.329 24.208 ( 0.000 -2.384 2.407) 3.388 24.251 ( 0.000 -0.595 -0.091) 0.601 24.592 ( 0.000 0.359 -0.117) 0.378 24.608 ( 0.000 0.561 -0.438) 0.712 24.647 ( 0.000 2.317 -1.454) 2.736 24.688 ( 0.000 0.166 -0.608) 0.630 26.304 ( 0.000 -1.446 0.212) 1.462 26.325 ( 0.000 -2.035 0.654) 2.137 26.326 ( 0.000 -1.496 -0.288) 1.523 26.340 ( 0.000 -1.625 -0.022) 1.625 28.705 ( 0.000 -0.468 0.814) 0.939 28.741 ( 0.000 -0.707 0.074) 0.711 28.743 ( 0.000 -0.966 0.388) 1.041 28.782 ( 0.000 -0.769 -0.770) 1.088 46.577 ( 0.000 11.277 -0.512) 11.289 46.922 ( 0.000 15.832 -3.924) 16.311 47.387 ( 0.000 49.461 -42.383) 65.136 47.409 ( 0.000 10.570 -3.678) 11.191 48.053 ( 0.000 -11.167 2.579) 11.461 48.397 ( 0.000 -17.348 -6.717) 18.603 49.009 ( 0.000 3.879 1.121) 4.038 49.588 ( 0.000 -20.353 -6.359) 21.323 51.135 ( 0.000 0.258 13.060) 13.063 52.370 ( 0.000 -7.618 -15.199) 17.001 52.419 ( 0.000 -46.159 34.831) 57.826 52.679 ( 0.000 -10.037 2.102) 10.255 56.865 ( 0.000 1.695 -0.083) 1.697 56.882 ( 0.000 2.176 -0.656) 2.272 56.884 ( 0.000 -4.619 1.799) 4.957 56.895 ( 0.000 3.309 0.003) 3.309 57.374 ( 0.000 0.302 -0.100) 0.318 57.407 ( 0.000 1.640 -0.355) 1.678 57.437 ( 0.000 6.177 1.840) 6.445 57.524 ( 0.000 8.526 -0.356) 8.534 60.417 ( 0.000 -0.132 -1.323) 1.330 60.453 ( 0.000 -1.062 1.244) 1.636 60.522 ( 0.000 -0.471 0.002) 0.471 60.556 ( 0.000 -1.753 3.291) 3.729 ======================= Grid point 61 (23/54) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 13.959 13.298 12.953) 23.227 1.044 ( 15.482 19.590 11.407) 27.451 1.496 ( 16.218 19.908 17.209) 30.911 1.761 ( -3.690 7.916 1.547) 8.870 1.832 ( -11.295 17.881 -1.283) 21.188 1.997 ( 2.221 5.122 0.892) 5.653 2.085 ( -0.875 0.534 -4.012) 4.141 2.225 ( 2.024 6.944 -5.660) 9.184 2.253 ( 1.255 12.376 -2.255) 12.642 2.419 ( 4.869 0.009 6.038) 7.757 2.629 ( 0.531 2.662 13.274) 13.549 3.211 ( 0.220 2.195 -5.428) 5.859 3.256 ( -1.112 3.281 -1.309) 3.703 3.341 ( 0.021 2.909 -4.444) 5.311 3.519 ( -3.867 -5.079 -5.913) 8.701 3.676 ( 4.677 -0.628 -4.799) 6.731 3.863 ( 2.023 -3.344 -8.911) 9.730 3.963 ( -0.309 -4.478 -4.842) 6.602 4.017 ( 0.969 2.112 -0.010) 2.324 4.052 ( -0.594 0.915 -2.536) 2.761 4.195 ( 1.533 1.949 -1.035) 2.687 4.363 ( 0.837 5.887 3.077) 6.695 4.488 ( -1.233 4.081 -3.481) 5.504 4.550 ( -6.913 -1.621 -2.540) 7.542 4.632 ( -1.964 0.771 2.137) 3.003 4.721 ( -7.554 -4.639 1.876) 9.062 4.798 ( -10.301 -0.919 -0.606) 10.360 4.918 ( -0.000 1.076 0.704) 1.285 5.021 ( -5.238 -2.975 1.615) 6.237 5.097 ( -6.162 -3.312 0.184) 6.999 5.187 ( -3.832 -4.260 -1.087) 5.832 5.259 ( 1.738 -5.145 -4.231) 6.884 5.352 ( -6.836 -6.026 3.394) 9.725 5.408 ( 2.437 -3.935 -2.055) 5.064 5.456 ( -4.394 -0.331 -0.643) 4.453 5.527 ( -2.520 -3.005 2.911) 4.884 5.658 ( 2.336 -2.377 2.721) 4.302 5.704 ( 5.969 -1.916 -0.857) 6.328 5.847 ( -1.391 -1.047 3.408) 3.827 5.903 ( 0.279 0.596 1.366) 1.517 6.004 ( 6.845 0.179 1.689) 7.053 6.130 ( 5.583 1.877 -2.527) 6.409 6.314 ( 8.506 5.379 -0.335) 10.070 6.584 ( -1.121 2.611 -3.898) 4.824 6.719 ( 7.300 -1.527 2.788) 7.962 6.869 ( -1.987 -4.921 0.083) 5.307 6.918 ( -0.590 -2.847 0.373) 2.931 6.983 ( 0.995 -5.624 1.648) 5.945 7.879 ( 1.994 9.871 3.135) 10.547 8.079 ( -2.574 6.421 2.125) 7.237 8.272 ( 3.897 5.651 2.259) 7.227 8.641 ( -3.692 2.813 -3.683) 5.925 13.091 ( 0.296 1.704 0.852) 1.928 13.139 ( -0.483 8.389 -0.217) 8.406 13.157 ( -0.711 2.569 0.119) 2.668 13.207 ( -2.299 -0.346 1.493) 2.763 13.307 ( 1.740 6.964 0.299) 7.184 13.335 ( 2.886 0.652 -1.091) 3.154 13.379 ( 0.121 5.080 0.839) 5.150 13.549 ( -1.350 -2.976 -2.530) 4.133 19.996 ( 0.287 2.053 1.031) 2.316 20.065 ( -1.936 3.389 -0.039) 3.903 20.128 ( 0.324 1.203 -1.663) 2.078 20.142 ( -0.062 1.098 -0.899) 1.420 20.892 ( 0.087 -1.856 0.579) 1.946 20.910 ( 0.330 -1.991 0.080) 2.020 20.926 ( -0.466 -1.405 0.262) 1.503 20.943 ( -0.320 -1.515 0.000) 1.548 20.993 ( 0.054 1.222 0.311) 1.262 20.998 ( -0.130 0.755 0.339) 0.837 21.016 ( 0.425 0.523 -0.183) 0.698 21.051 ( -0.358 0.557 -0.535) 0.852 22.591 ( 1.053 -2.479 0.673) 2.776 22.631 ( -0.424 -2.413 0.697) 2.547 22.684 ( 0.785 -2.589 -0.746) 2.807 22.727 ( -0.297 -2.533 -1.085) 2.772 23.635 ( 0.137 0.161 -0.011) 0.212 23.642 ( 0.082 0.459 -0.157) 0.492 23.660 ( 0.073 0.125 0.351) 0.379 23.692 ( -0.418 -0.215 -0.315) 0.566 24.050 ( -0.170 0.059 0.507) 0.538 24.071 ( -0.445 0.311 -0.103) 0.553 24.199 ( -0.003 -0.904 1.678) 1.906 24.254 ( -0.209 -1.070 -0.335) 1.141 24.593 ( 0.043 0.421 -0.034) 0.425 24.608 ( -0.108 1.235 -0.720) 1.433 24.629 ( -0.558 1.176 0.407) 1.363 24.681 ( -0.658 0.289 -0.619) 0.949 26.305 ( 0.089 -1.451 0.211) 1.469 26.318 ( -0.335 -1.583 0.368) 1.659 26.330 ( 0.154 -1.613 -0.089) 1.623 26.339 ( -0.088 -1.607 -0.052) 1.610 28.708 ( 0.278 -0.472 0.753) 0.932 28.736 ( -0.340 -0.596 0.381) 0.785 28.755 ( 0.654 -1.100 -0.353) 1.327 28.781 ( -0.124 -0.838 -0.675) 1.083 46.659 ( 7.175 11.611 -1.012) 13.686 46.809 ( -8.436 25.146 -7.555) 27.578 46.999 ( -9.880 22.338 2.931) 24.601 47.372 ( -7.167 17.903 -5.508) 20.056 48.292 ( 7.080 -14.062 -1.398) 15.806 48.643 ( 7.431 -23.204 -6.035) 25.102 49.169 ( 16.326 -6.998 -21.873) 28.177 49.601 ( 0.917 -22.992 -8.706) 24.602 51.152 ( 1.688 0.468 14.123) 14.232 51.875 ( -27.415 -20.769 36.401) 50.079 52.405 ( 1.762 -8.128 -15.132) 17.267 52.748 ( -2.983 -14.464 -4.037) 15.310 56.800 ( -2.709 4.278 0.693) 5.111 56.828 ( -2.209 5.941 -0.247) 6.343 56.955 ( 3.238 -2.520 -0.279) 4.113 56.994 ( 3.725 -1.335 -1.627) 4.279 57.396 ( 2.400 2.481 1.028) 3.601 57.443 ( 1.572 5.221 1.136) 5.569 57.463 ( 2.279 2.610 0.232) 3.473 57.528 ( 0.306 7.360 -0.309) 7.373 60.390 ( -1.164 0.069 0.492) 1.266 60.452 ( -1.367 -1.196 1.151) 2.150 60.554 ( 3.157 -1.202 1.446) 3.675 60.603 ( 2.595 -1.709 2.346) 3.894 ======================= Grid point 62 (24/54) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 15.356 11.015 9.950) 21.357 1.320 ( 11.260 21.342 8.711) 25.655 1.531 ( -14.243 9.211 6.616) 18.206 1.576 ( -11.783 17.075 5.499) 21.462 1.865 ( 13.349 3.964 -3.014) 14.248 2.061 ( -3.652 2.039 -6.179) 7.462 2.166 ( 4.612 8.760 -1.083) 9.959 2.205 ( -1.956 10.320 -6.192) 12.193 2.294 ( 7.494 11.302 6.371) 14.983 2.484 ( -5.535 1.111 8.873) 10.516 2.763 ( 17.215 -2.213 4.253) 17.870 3.120 ( -10.318 -2.697 -0.732) 10.690 3.281 ( 2.963 6.150 -0.519) 6.846 3.365 ( -3.273 6.221 0.367) 7.039 3.466 ( 5.614 -3.717 -5.405) 8.634 3.674 ( -8.422 3.078 -1.711) 9.129 3.913 ( 4.535 -6.453 -10.196) 12.891 3.976 ( -0.194 -5.302 -8.472) 9.996 4.024 ( -0.036 2.336 -0.439) 2.377 4.034 ( -0.881 1.660 -2.274) 2.950 4.226 ( 2.015 -0.086 -2.495) 3.209 4.330 ( -6.865 -1.066 -3.922) 7.978 4.415 ( 0.090 -1.537 -1.083) 1.882 4.438 ( 1.455 6.642 1.202) 6.905 4.496 ( -6.881 -2.072 -2.746) 7.693 4.567 ( -7.619 1.822 0.253) 7.838 4.822 ( 9.648 -0.576 5.241) 10.994 4.925 ( -2.039 -2.338 2.255) 3.835 4.964 ( -3.295 -1.624 1.761) 4.073 5.018 ( 5.202 -2.507 0.105) 5.775 5.066 ( -7.652 -4.593 1.634) 9.073 5.173 ( -8.262 -2.294 0.912) 8.622 5.319 ( 2.303 -11.012 -0.356) 11.256 5.368 ( -2.689 -8.978 0.073) 9.373 5.484 ( 3.300 -1.533 -2.404) 4.361 5.521 ( 0.251 -2.650 0.163) 2.667 5.676 ( 2.405 4.413 3.581) 6.171 5.768 ( -2.303 -0.783 0.481) 2.479 5.836 ( 2.581 1.270 1.070) 3.069 5.932 ( -4.155 5.533 -0.688) 6.954 6.075 ( 6.974 -1.687 0.131) 7.177 6.208 ( -1.562 0.256 -2.646) 3.083 6.487 ( 5.863 3.785 0.360) 6.988 6.551 ( -0.878 2.313 -0.012) 2.474 6.806 ( -0.075 -3.565 -0.211) 3.572 6.822 ( -1.795 -3.086 0.167) 3.574 6.942 ( 3.696 -1.673 2.145) 4.589 7.000 ( -0.655 -5.037 0.075) 5.080 7.939 ( 3.307 8.268 3.787) 9.677 8.014 ( -3.349 6.724 3.996) 8.508 8.387 ( 6.319 4.903 -1.575) 8.152 8.530 ( -6.189 3.674 -3.168) 7.863 13.103 ( 0.784 3.604 0.801) 3.774 13.123 ( -0.921 6.637 0.248) 6.705 13.150 ( 0.211 1.588 0.604) 1.712 13.167 ( -1.321 0.024 1.306) 1.858 13.343 ( 1.356 7.868 0.181) 7.986 13.363 ( -0.391 8.537 0.118) 8.547 13.423 ( 3.572 -3.089 -1.429) 4.934 13.499 ( -3.096 -3.008 -2.219) 4.854 20.007 ( 0.730 2.189 1.034) 2.528 20.029 ( -1.299 2.573 0.873) 3.011 20.135 ( 0.265 1.108 -1.400) 1.805 20.140 ( -0.155 1.077 -1.130) 1.569 20.899 ( 0.499 -1.623 0.393) 1.743 20.912 ( -0.607 -1.493 0.190) 1.622 20.921 ( 0.491 -1.911 0.167) 1.980 20.933 ( -0.574 -1.735 0.044) 1.828 20.995 ( 0.073 1.137 0.302) 1.179 20.996 ( -0.063 0.967 0.320) 1.020 21.028 ( 0.597 0.521 -0.308) 0.850 21.041 ( -0.564 0.537 -0.448) 0.899 22.609 ( 0.658 -2.473 0.575) 2.623 22.621 ( -0.459 -2.409 0.619) 2.530 22.702 ( 0.812 -2.567 -0.764) 2.799 22.717 ( -0.586 -2.547 -0.919) 2.770 23.639 ( 0.215 0.205 0.130) 0.325 23.643 ( -0.101 0.258 0.189) 0.335 23.666 ( 0.531 0.124 -0.053) 0.548 23.680 ( -0.664 -0.033 -0.241) 0.707 24.049 ( 0.173 0.203 0.591) 0.648 24.059 ( -0.615 0.307 0.320) 0.758 24.213 ( 1.085 -0.600 0.398) 1.302 24.239 ( -1.071 -0.797 -0.249) 1.358 24.594 ( 0.167 0.647 0.137) 0.682 24.601 ( -0.374 0.946 0.173) 1.032 24.637 ( 0.947 0.352 -0.069) 1.012 24.661 ( -1.103 0.337 -0.439) 1.233 26.308 ( 0.155 -1.460 0.217) 1.484 26.312 ( -0.213 -1.480 0.262) 1.518 26.334 ( 0.156 -1.558 -0.127) 1.571 26.337 ( -0.142 -1.571 -0.104) 1.581 28.717 ( 0.446 -0.492 0.611) 0.902 28.727 ( -0.458 -0.526 0.456) 0.833 28.767 ( 0.487 -0.976 -0.511) 1.205 28.776 ( -0.333 -0.888 -0.563) 1.103 46.740 ( 1.878 19.892 0.041) 19.980 46.822 ( -1.610 12.505 1.855) 12.744 46.900 ( 7.559 18.226 -0.559) 19.739 47.155 ( -11.891 16.536 -3.580) 20.680 48.450 ( 7.703 -14.898 3.110) 17.058 48.611 ( -6.156 -16.500 4.451) 18.165 49.490 ( 9.738 -27.046 -25.389) 38.352 49.603 ( -1.573 -27.952 -15.474) 31.988 51.225 ( 5.498 -1.005 18.205) 19.044 51.426 ( -13.845 -7.358 26.950) 31.178 52.475 ( 4.768 -8.481 -14.659) 17.594 52.613 ( -7.335 -10.377 -11.111) 16.880 56.765 ( -0.402 8.247 0.410) 8.267 56.781 ( -1.695 9.141 -0.043) 9.297 57.012 ( 1.839 -4.295 -0.640) 4.716 57.032 ( 0.147 -3.065 -1.334) 3.345 57.452 ( 1.896 5.964 1.347) 6.402 57.467 ( 0.426 6.976 1.632) 7.177 57.506 ( 1.632 1.805 0.175) 2.440 57.530 ( -0.377 5.263 0.130) 5.278 60.383 ( 0.634 0.004 1.935) 2.036 60.413 ( -1.826 -0.433 2.298) 2.967 60.618 ( 2.159 -1.525 1.907) 3.259 60.638 ( 0.397 -1.623 2.200) 2.763 ======================= Grid point 65 (25/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 20.304 9.870) 22.576 1.169 ( 0.000 18.837 10.660) 21.644 1.842 ( 0.000 -17.534 1.942) 17.642 1.857 ( 0.000 9.317 -7.350) 11.867 2.079 ( 0.000 31.691 13.615) 34.492 2.202 ( 0.000 7.995 2.398) 8.347 2.209 ( 0.000 4.184 -0.402) 4.203 2.434 ( 0.000 23.087 -5.906) 23.830 2.562 ( 0.000 17.599 2.719) 17.808 2.690 ( 0.000 21.060 3.258) 21.311 2.713 ( 0.000 9.116 3.277) 9.687 3.184 ( 0.000 0.373 -4.911) 4.925 3.296 ( 0.000 -0.680 -2.002) 2.115 3.371 ( 0.000 -2.991 -1.339) 3.277 3.533 ( 0.000 -2.596 -11.961) 12.240 3.551 ( 0.000 0.837 4.957) 5.027 3.762 ( 0.000 -3.704 -9.032) 9.762 3.900 ( 0.000 -3.990 -2.751) 4.846 4.013 ( 0.000 1.104 -3.029) 3.224 4.100 ( 0.000 3.711 -1.719) 4.090 4.252 ( 0.000 5.228 -3.863) 6.500 4.453 ( 0.000 3.901 3.784) 5.434 4.504 ( 0.000 -1.127 4.813) 4.944 4.610 ( 0.000 -3.836 5.871) 7.013 4.642 ( 0.000 -0.347 -3.857) 3.873 4.712 ( 0.000 -5.554 -5.275) 7.660 4.958 ( 0.000 -5.839 -0.520) 5.862 4.968 ( 0.000 -3.035 -1.356) 3.324 4.999 ( 0.000 -1.739 -0.969) 1.991 5.080 ( 0.000 0.179 -0.840) 0.859 5.165 ( 0.000 -7.755 0.305) 7.761 5.236 ( 0.000 -3.844 -7.620) 8.534 5.275 ( 0.000 -8.042 2.571) 8.443 5.374 ( 0.000 0.374 4.479) 4.494 5.407 ( 0.000 -8.596 -4.232) 9.582 5.435 ( 0.000 -3.493 -4.700) 5.856 5.630 ( 0.000 0.149 3.093) 3.096 5.639 ( 0.000 -0.655 1.446) 1.587 5.706 ( 0.000 0.074 1.773) 1.775 5.885 ( 0.000 -3.138 0.071) 3.139 5.973 ( 0.000 0.260 2.799) 2.811 6.088 ( 0.000 -0.428 12.229) 12.237 6.108 ( 0.000 -4.877 3.997) 6.306 6.501 ( 0.000 -3.371 1.920) 3.880 6.719 ( 0.000 0.723 -5.349) 5.398 6.854 ( 0.000 6.089 -2.748) 6.681 6.875 ( 0.000 -2.282 -3.994) 4.600 6.965 ( 0.000 0.479 0.559) 0.736 8.105 ( 0.000 13.897 2.550) 14.129 8.271 ( 0.000 8.351 0.818) 8.391 8.350 ( 0.000 7.413 5.853) 9.445 8.744 ( 0.000 3.412 -3.054) 4.579 13.072 ( 0.000 -1.718 0.424) 1.769 13.167 ( 0.000 -2.754 3.307) 4.304 13.206 ( 0.000 -3.541 -2.140) 4.137 13.370 ( 0.000 9.199 -1.585) 9.335 13.404 ( 0.000 12.707 0.135) 12.708 13.420 ( 0.000 5.136 -0.055) 5.136 13.547 ( 0.000 5.959 -0.179) 5.962 13.567 ( 0.000 11.771 -0.328) 11.776 20.045 ( 0.000 3.172 0.861) 3.287 20.151 ( 0.000 1.703 -1.501) 2.270 20.154 ( 0.000 2.262 -1.000) 2.473 20.170 ( 0.000 1.602 -0.556) 1.696 20.843 ( 0.000 -2.811 0.610) 2.876 20.857 ( 0.000 -2.882 0.329) 2.901 20.896 ( 0.000 -2.186 0.327) 2.210 20.910 ( 0.000 -2.343 -0.040) 2.343 21.016 ( 0.000 0.888 0.249) 0.922 21.019 ( 0.000 1.422 -0.011) 1.422 21.021 ( 0.000 0.564 -0.146) 0.582 21.067 ( 0.000 0.634 -0.607) 0.877 22.520 ( 0.000 -3.224 1.064) 3.395 22.572 ( 0.000 -4.013 0.839) 4.100 22.604 ( 0.000 -4.334 -0.769) 4.401 22.661 ( 0.000 -4.390 -1.060) 4.516 23.636 ( 0.000 0.223 -0.016) 0.223 23.650 ( 0.000 0.293 -0.415) 0.508 23.662 ( 0.000 0.146 0.465) 0.487 23.689 ( 0.000 -0.495 -0.141) 0.514 24.057 ( 0.000 0.390 0.231) 0.453 24.085 ( 0.000 0.631 -0.593) 0.865 24.178 ( 0.000 -0.995 1.789) 2.047 24.235 ( 0.000 -1.000 -0.207) 1.021 24.600 ( 0.000 0.420 0.055) 0.423 24.613 ( 0.000 0.168 0.058) 0.178 24.674 ( 0.000 0.701 -0.973) 1.199 24.692 ( 0.000 0.187 -0.504) 0.537 26.265 ( 0.000 -2.377 0.184) 2.384 26.280 ( 0.000 -2.569 0.450) 2.608 26.286 ( 0.000 -2.525 -0.271) 2.540 26.297 ( 0.000 -2.686 -0.044) 2.686 28.693 ( 0.000 -0.734 0.709) 1.020 28.723 ( 0.000 -1.148 0.063) 1.150 28.724 ( 0.000 -0.945 0.207) 0.967 28.762 ( 0.000 -1.288 -0.681) 1.457 46.808 ( 0.000 9.364 1.401) 9.468 47.221 ( 0.000 11.094 -3.239) 11.557 47.402 ( 0.000 -17.579 1.753) 17.666 47.704 ( 0.000 -12.278 -14.585) 19.065 47.968 ( 0.000 -17.604 -0.404) 17.609 48.046 ( 0.000 16.807 -2.629) 17.011 49.133 ( 0.000 -22.112 -2.238) 22.225 49.284 ( 0.000 18.467 -25.802) 31.730 51.167 ( 0.000 3.485 10.710) 11.263 51.803 ( 0.000 -17.546 32.903) 37.289 52.197 ( 0.000 -9.357 -12.822) 15.873 52.442 ( 0.000 -13.058 0.163) 13.059 56.777 ( 0.000 -3.123 3.209) 4.478 56.886 ( 0.000 0.736 -0.646) 0.979 56.935 ( 0.000 3.485 0.619) 3.540 56.987 ( 0.000 3.310 -0.938) 3.440 57.382 ( 0.000 0.160 -0.962) 0.975 57.444 ( 0.000 1.561 -2.066) 2.590 57.563 ( 0.000 5.160 2.765) 5.855 57.655 ( 0.000 3.529 0.505) 3.565 60.416 ( 0.000 0.083 -0.878) 0.882 60.445 ( 0.000 -0.004 0.035) 0.035 60.510 ( 0.000 -0.731 -0.473) 0.871 60.515 ( 0.000 -2.266 2.172) 3.138 ======================= Grid point 66 (26/54) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 10.807 18.957 6.376) 22.733 1.341 ( 17.412 12.753 7.359) 22.802 1.779 ( -3.145 -5.215 0.345) 6.099 1.935 ( 1.247 3.236 -2.830) 4.476 2.047 ( -4.261 14.010 4.447) 15.304 2.154 ( 6.466 20.521 13.103) 25.191 2.284 ( 1.239 5.688 -4.731) 7.501 2.401 ( -1.122 21.468 -4.100) 21.884 2.569 ( -0.629 15.385 1.669) 15.488 2.621 ( -3.287 15.875 -1.985) 16.333 2.771 ( 2.551 13.575 7.414) 15.676 3.209 ( 0.991 0.222 -3.450) 3.596 3.295 ( 0.529 1.432 -3.030) 3.393 3.336 ( -1.656 -4.570 -3.027) 5.727 3.503 ( -0.758 4.125 0.525) 4.227 3.636 ( 5.729 -3.781 -5.920) 9.065 3.793 ( 2.105 -4.590 -8.170) 9.605 3.908 ( -0.414 -0.330 -0.650) 0.838 4.037 ( 0.601 0.417 -2.870) 2.962 4.103 ( 0.936 3.984 -1.034) 4.221 4.260 ( 0.430 4.034 -3.297) 5.228 4.447 ( -4.814 -5.717 -2.539) 7.893 4.452 ( -1.522 2.261 3.173) 4.183 4.559 ( -3.889 1.349 0.690) 4.173 4.634 ( -9.550 -1.317 -1.010) 9.693 4.683 ( -0.365 -0.292 1.799) 1.858 4.741 ( -5.571 -4.142 -1.854) 7.185 4.928 ( -5.613 -6.143 -1.102) 8.394 4.940 ( -3.009 0.375 0.967) 3.182 5.000 ( -4.148 -5.702 1.257) 7.162 5.091 ( -3.457 -5.711 -0.550) 6.699 5.113 ( -7.127 -7.251 4.245) 11.018 5.255 ( -3.838 -5.913 -0.517) 7.068 5.335 ( 3.296 -1.606 -6.635) 7.581 5.431 ( -6.924 -3.428 -0.352) 7.734 5.504 ( -2.090 1.276 -0.681) 2.542 5.604 ( 6.508 -2.139 3.498) 7.692 5.671 ( 6.102 -2.021 -1.315) 6.561 5.778 ( 2.432 -4.404 0.763) 5.088 5.895 ( -1.265 -2.614 8.424) 8.911 6.025 ( 7.599 2.141 4.194) 8.940 6.149 ( 5.284 -0.377 -2.390) 5.811 6.345 ( 10.525 -3.328 4.475) 11.911 6.556 ( 2.863 -3.943 3.961) 6.280 6.711 ( 0.593 0.058 -7.736) 7.759 6.811 ( -1.869 0.458 -3.544) 4.033 6.905 ( 1.281 1.986 -1.450) 2.772 6.938 ( -2.029 -0.331 0.836) 2.220 8.114 ( 0.833 13.266 2.707) 13.565 8.234 ( -2.320 8.931 2.827) 9.651 8.403 ( 3.787 7.190 2.686) 8.559 8.710 ( -3.027 3.837 -2.842) 5.654 13.073 ( 0.140 -1.882 0.662) 2.000 13.135 ( -1.743 -2.717 2.081) 3.841 13.253 ( 2.941 -3.275 -1.239) 4.573 13.362 ( -0.636 9.937 -1.303) 10.042 13.388 ( -0.833 12.452 0.379) 12.486 13.425 ( -0.122 1.881 -0.791) 2.044 13.550 ( 0.307 8.353 -0.015) 8.358 13.569 ( 0.163 11.898 -0.251) 11.902 20.049 ( 0.360 3.197 0.849) 3.327 20.125 ( -1.739 2.719 -0.414) 3.254 20.159 ( 0.186 1.754 -1.287) 2.183 20.170 ( -0.084 1.592 -0.656) 1.724 20.846 ( 0.310 -2.713 0.549) 2.785 20.861 ( 0.399 -2.853 0.301) 2.896 20.889 ( -0.588 -2.269 0.299) 2.362 20.904 ( -0.492 -2.430 0.044) 2.480 21.016 ( 0.026 0.962 0.170) 0.978 21.019 ( 0.009 1.392 0.020) 1.392 21.027 ( 0.459 0.627 -0.160) 0.794 21.063 ( -0.356 0.649 -0.577) 0.938 22.530 ( 0.736 -3.514 0.871) 3.694 22.566 ( -0.384 -3.965 0.685) 4.042 22.614 ( 0.784 -4.354 -0.640) 4.470 22.658 ( -0.301 -4.387 -0.995) 4.508 23.639 ( 0.191 0.255 0.040) 0.321 23.650 ( 0.020 0.343 -0.156) 0.377 23.663 ( 0.109 0.159 0.273) 0.334 23.686 ( -0.242 -0.369 -0.159) 0.469 24.055 ( -0.108 0.425 0.346) 0.558 24.081 ( -0.406 0.672 -0.359) 0.863 24.181 ( 0.425 -0.894 1.236) 1.584 24.233 ( -0.307 -1.166 -0.273) 1.236 24.601 ( 0.142 0.439 0.125) 0.478 24.620 ( 0.529 0.324 -0.207) 0.654 24.654 ( -1.301 0.961 -0.171) 1.627 24.687 ( -0.568 0.249 -0.575) 0.846 26.266 ( 0.080 -2.383 0.184) 2.392 26.277 ( -0.198 -2.474 0.281) 2.498 26.288 ( 0.168 -2.578 -0.151) 2.588 26.297 ( -0.055 -2.666 -0.065) 2.668 28.696 ( 0.262 -0.746 0.658) 1.029 28.721 ( -0.261 -0.869 0.232) 0.936 28.730 ( 0.545 -1.340 -0.103) 1.451 28.760 ( -0.185 -1.323 -0.617) 1.471 46.893 ( 7.154 9.241 0.401) 11.693 47.126 ( -6.750 4.817 -4.635) 9.500 47.295 ( -3.792 4.709 4.301) 7.420 47.753 ( -3.047 2.826 -9.061) 9.969 48.002 ( 3.990 -10.009 0.131) 10.775 48.125 ( 6.608 -13.125 -2.136) 14.849 49.079 ( -4.642 -23.857 -4.291) 24.680 49.148 ( -10.021 4.285 -18.599) 21.558 51.188 ( 1.826 3.583 11.210) 11.910 51.581 ( -13.273 -7.700 27.773) 31.730 52.226 ( 1.794 -9.594 -12.764) 16.068 52.461 ( -1.152 -14.461 -3.313) 14.881 56.779 ( 0.788 -2.243 2.715) 3.609 56.912 ( -1.784 1.657 0.606) 2.509 56.962 ( 4.100 1.898 -2.193) 5.022 57.019 ( 2.421 2.969 -0.692) 3.893 57.423 ( 3.766 0.728 -0.651) 3.890 57.500 ( 3.631 1.798 -1.916) 4.482 57.574 ( 1.073 4.604 2.324) 5.267 57.651 ( -0.365 3.811 0.024) 3.828 60.394 ( -1.012 0.414 0.284) 1.129 60.435 ( -1.153 -0.398 0.632) 1.374 60.527 ( 2.466 -1.537 0.694) 2.988 60.565 ( 2.395 -2.070 1.065) 3.340 ======================= Grid point 67 (27/54) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 10.409 10.812 7.213) 16.651 1.619 ( -2.075 8.418 6.402) 10.777 1.705 ( 2.962 5.307 -1.655) 6.299 1.828 ( -5.942 11.612 4.489) 13.795 2.113 ( 6.282 15.465 -1.259) 16.740 2.241 ( -3.864 13.674 -2.226) 14.383 2.398 ( 8.368 9.246 -3.718) 13.013 2.407 ( 1.423 11.544 -4.552) 12.490 2.527 ( -0.576 9.417 4.429) 10.423 2.576 ( -1.346 16.182 0.984) 16.268 2.859 ( 8.118 12.117 8.443) 16.853 3.117 ( -10.683 2.969 4.819) 12.090 3.325 ( 2.088 -1.059 -7.952) 8.289 3.346 ( 0.666 -1.171 -8.026) 8.138 3.559 ( 7.628 7.267 4.198) 11.341 3.767 ( 3.097 -7.368 -3.259) 8.632 3.777 ( -4.895 3.911 -1.866) 6.537 3.856 ( -2.496 -4.593 -4.777) 7.081 4.047 ( 1.103 1.080 -2.830) 3.223 4.096 ( -2.581 3.864 -1.667) 4.936 4.259 ( -0.500 2.461 -2.617) 3.627 4.303 ( -6.342 -2.528 -3.202) 7.541 4.367 ( -3.306 -3.902 -2.468) 5.679 4.393 ( -3.692 -4.207 -1.631) 5.830 4.546 ( 0.812 3.537 0.646) 3.686 4.613 ( -4.489 0.421 0.741) 4.569 4.800 ( 4.374 -2.868 4.317) 6.782 4.850 ( -0.468 -4.689 2.957) 5.563 4.925 ( -0.820 -1.789 0.566) 2.048 4.944 ( 2.041 -4.933 3.114) 6.180 4.988 ( -3.649 -3.543 0.874) 5.161 5.049 ( -2.808 -8.159 4.452) 9.710 5.175 ( -2.362 -3.961 -1.086) 4.738 5.224 ( -6.559 -5.003 -1.976) 8.483 5.439 ( 2.836 -2.931 -4.925) 6.395 5.474 ( -0.767 -2.064 -2.604) 3.410 5.715 ( 1.646 -2.549 1.212) 3.267 5.720 ( 0.301 -1.076 3.800) 3.961 5.863 ( 6.479 1.605 2.806) 7.241 5.999 ( 2.975 -4.629 2.263) 5.950 6.054 ( 0.286 5.015 -0.600) 5.059 6.188 ( -3.079 -2.645 -3.704) 5.495 6.534 ( 6.439 -1.489 4.770) 8.150 6.584 ( 1.197 0.949 4.226) 4.494 6.732 ( -0.121 -2.748 -5.090) 5.785 6.768 ( -2.879 -0.838 -3.622) 4.702 6.921 ( 0.990 -2.443 -0.253) 2.648 6.930 ( 0.695 0.369 -0.331) 0.854 8.142 ( 1.673 11.736 3.182) 12.274 8.184 ( -2.144 10.076 3.518) 10.886 8.503 ( 5.198 6.361 -0.340) 8.222 8.619 ( -5.032 4.977 -2.079) 7.377 13.081 ( 0.633 -2.233 1.227) 2.626 13.102 ( -1.233 -2.515 1.765) 3.311 13.315 ( 2.388 -0.000 -1.706) 2.935 13.346 ( -0.772 9.189 -1.179) 9.297 13.380 ( 0.309 8.702 0.214) 8.710 13.406 ( -1.534 -0.245 -0.875) 1.783 13.561 ( 0.550 11.468 0.089) 11.482 13.570 ( -0.205 12.086 -0.086) 12.088 20.062 ( 0.864 3.235 0.771) 3.436 20.088 ( -1.500 3.187 0.449) 3.551 20.163 ( 0.193 1.625 -1.134) 1.991 20.167 ( -0.156 1.582 -0.888) 1.820 20.857 ( 0.641 -2.558 0.428) 2.671 20.872 ( -0.239 -2.528 0.157) 2.544 20.875 ( 0.119 -2.634 0.421) 2.670 20.890 ( -0.745 -2.602 0.161) 2.712 21.017 ( 0.106 1.143 0.114) 1.154 21.019 ( -0.044 1.297 0.062) 1.299 21.040 ( 0.614 0.655 -0.321) 0.954 21.053 ( -0.574 0.661 -0.479) 0.998 22.546 ( 0.644 -3.770 0.687) 3.885 22.558 ( -0.436 -3.873 0.639) 3.950 22.632 ( 0.821 -4.378 -0.681) 4.506 22.648 ( -0.597 -4.383 -0.838) 4.503 23.644 ( 0.256 0.318 0.148) 0.435 23.649 ( -0.158 0.345 0.170) 0.416 23.668 ( 0.426 0.117 -0.060) 0.446 23.679 ( -0.447 -0.101 -0.159) 0.485 24.057 ( 0.309 0.566 0.382) 0.749 24.068 ( -0.670 0.670 0.119) 0.955 24.198 ( 0.965 -0.990 0.310) 1.416 24.219 ( -0.885 -1.169 -0.196) 1.479 24.607 ( 0.431 0.662 0.158) 0.806 24.621 ( -0.728 0.950 -0.144) 1.206 24.645 ( 0.838 0.363 0.064) 0.916 24.668 ( -1.081 0.309 -0.382) 1.188 26.269 ( 0.142 -2.397 0.184) 2.408 26.272 ( -0.181 -2.418 0.202) 2.433 26.292 ( 0.152 -2.599 -0.126) 2.606 26.295 ( -0.110 -2.628 -0.103) 2.632 28.704 ( 0.417 -0.775 0.521) 1.023 28.713 ( -0.415 -0.815 0.353) 0.980 28.743 ( 0.554 -1.420 -0.329) 1.559 28.753 ( -0.390 -1.380 -0.486) 1.514 47.032 ( 1.932 7.835 -0.224) 8.072 47.044 ( -0.017 5.445 -0.709) 5.491 47.307 ( 7.274 15.909 1.357) 17.546 47.559 ( -12.443 15.956 -3.951) 20.616 48.131 ( 6.486 -11.712 1.316) 13.453 48.219 ( 0.048 -17.340 0.975) 17.367 48.957 ( -3.695 -20.562 -11.329) 23.765 48.980 ( -4.665 -28.633 -7.751) 30.028 51.246 ( 3.545 3.373 13.300) 14.171 51.357 ( -7.108 0.684 18.751) 20.065 52.281 ( 3.521 -10.607 -11.609) 16.114 52.380 ( -5.026 -12.604 -8.557) 16.042 56.812 ( 2.005 -1.121 2.307) 3.255 56.862 ( -2.478 0.298 1.584) 2.956 57.030 ( 2.212 3.739 -2.623) 5.075 57.054 ( 0.231 3.250 -1.980) 3.813 57.511 ( 3.299 1.701 -1.024) 3.850 57.548 ( 0.217 2.377 -1.174) 2.660 57.608 ( 1.768 4.324 1.301) 4.849 57.638 ( -0.855 3.687 0.200) 3.790 60.387 ( 0.415 0.450 1.309) 1.445 60.407 ( -1.252 0.025 1.481) 1.940 60.581 ( 1.903 -2.174 1.133) 3.103 60.598 ( 0.430 -2.346 1.288) 2.711 ======================= Grid point 70 (28/54) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 13.119 1.961) 13.265 1.536 ( 0.000 17.707 -1.071) 17.739 1.586 ( 0.000 -2.719 8.749) 9.162 1.933 ( 0.000 -1.224 -3.304) 3.523 2.289 ( 0.000 3.833 -2.272) 4.456 2.299 ( 0.000 5.812 -2.300) 6.250 2.607 ( 0.000 15.346 9.504) 18.051 2.815 ( 0.000 6.864 -0.797) 6.911 2.816 ( 0.000 14.982 -8.193) 17.076 2.975 ( 0.000 20.293 3.716) 20.631 3.032 ( 0.000 7.604 2.368) 7.964 3.198 ( 0.000 -4.789 1.550) 5.033 3.309 ( 0.000 5.527 -0.475) 5.547 3.407 ( 0.000 13.001 -0.351) 13.006 3.492 ( 0.000 0.766 -2.130) 2.264 3.647 ( 0.000 7.357 3.173) 8.012 3.666 ( 0.000 -5.906 -3.753) 6.997 3.818 ( 0.000 -4.124 -8.632) 9.567 4.051 ( 0.000 2.814 -7.289) 7.813 4.179 ( 0.000 3.731 -3.162) 4.891 4.350 ( 0.000 3.970 -4.625) 6.095 4.460 ( 0.000 -2.453 1.974) 3.149 4.471 ( 0.000 -2.020 0.752) 2.156 4.565 ( 0.000 -7.402 -3.953) 8.391 4.589 ( 0.000 1.529 8.453) 8.590 4.625 ( 0.000 -2.004 0.858) 2.180 4.842 ( 0.000 -7.475 -1.537) 7.632 4.851 ( 0.000 -4.742 1.190) 4.889 4.978 ( 0.000 -3.260 0.082) 3.261 5.023 ( 0.000 -6.613 2.421) 7.042 5.024 ( 0.000 -5.184 -1.008) 5.281 5.094 ( 0.000 -9.177 -2.042) 9.401 5.241 ( 0.000 4.149 0.237) 4.156 5.292 ( 0.000 -2.114 -8.622) 8.877 5.339 ( 0.000 -5.716 -3.108) 6.506 5.435 ( 0.000 3.990 -2.927) 4.949 5.617 ( 0.000 -1.396 1.268) 1.886 5.643 ( 0.000 1.341 5.730) 5.885 5.711 ( 0.000 -0.371 0.489) 0.613 5.790 ( 0.000 -6.565 2.693) 7.095 5.937 ( 0.000 -3.464 9.961) 10.547 5.997 ( 0.000 -6.103 -3.345) 6.960 6.102 ( 0.000 2.421 15.124) 15.317 6.423 ( 0.000 -4.110 7.479) 8.534 6.754 ( 0.000 2.319 -11.818) 12.043 6.836 ( 0.000 -1.599 -6.754) 6.941 6.974 ( 0.000 5.066 -2.153) 5.505 6.990 ( 0.000 1.812 -0.141) 1.818 8.369 ( 0.000 12.649 1.527) 12.741 8.432 ( 0.000 7.677 1.503) 7.823 8.493 ( 0.000 6.780 5.051) 8.454 8.801 ( 0.000 2.080 -2.136) 2.981 13.036 ( 0.000 -1.838 -0.335) 1.868 13.115 ( 0.000 -2.068 3.197) 3.808 13.126 ( 0.000 -4.247 -1.674) 4.565 13.322 ( 0.000 -5.669 -1.966) 6.001 13.672 ( 0.000 13.699 0.017) 13.699 13.675 ( 0.000 14.484 -0.087) 14.484 13.755 ( 0.000 11.746 0.638) 11.763 13.804 ( 0.000 11.670 -0.467) 11.680 20.110 ( 0.000 3.340 0.572) 3.388 20.185 ( 0.000 1.682 -1.099) 2.010 20.191 ( 0.000 1.608 -0.362) 1.649 20.200 ( 0.000 1.266 -0.333) 1.309 20.786 ( 0.000 -2.847 0.614) 2.913 20.798 ( 0.000 -3.052 0.472) 3.088 20.850 ( 0.000 -2.437 0.261) 2.451 20.860 ( 0.000 -2.659 0.004) 2.659 21.033 ( 0.000 0.576 -0.062) 0.580 21.033 ( 0.000 0.773 0.126) 0.783 21.047 ( 0.000 1.322 -0.267) 1.348 21.078 ( 0.000 0.461 -0.633) 0.784 22.457 ( 0.000 -2.987 0.710) 3.071 22.490 ( 0.000 -4.037 0.791) 4.113 22.514 ( 0.000 -4.584 -0.563) 4.618 22.568 ( 0.000 -4.964 -0.835) 5.034 23.641 ( 0.000 0.287 0.040) 0.290 23.654 ( 0.000 0.197 -0.283) 0.345 23.665 ( 0.000 0.129 0.385) 0.406 23.679 ( 0.000 -0.518 0.101) 0.527 24.068 ( 0.000 0.700 0.109) 0.708 24.099 ( 0.000 0.729 -0.922) 1.176 24.162 ( 0.000 -0.622 1.335) 1.473 24.213 ( 0.000 -1.197 -0.249) 1.222 24.607 ( 0.000 0.286 0.142) 0.320 24.615 ( 0.000 0.028 0.112) 0.116 24.682 ( 0.000 0.292 -0.400) 0.495 24.694 ( 0.000 0.074 -0.375) 0.382 26.217 ( 0.000 -2.398 0.142) 2.402 26.229 ( 0.000 -2.494 0.249) 2.506 26.233 ( 0.000 -2.682 -0.219) 2.691 26.242 ( 0.000 -2.791 -0.050) 2.791 28.679 ( 0.000 -0.690 0.575) 0.899 28.699 ( 0.000 -1.188 0.095) 1.192 28.707 ( 0.000 -0.781 0.028) 0.781 28.735 ( 0.000 -1.384 -0.552) 1.490 46.844 ( 0.000 -6.558 1.146) 6.657 46.957 ( 0.000 -22.598 3.148) 22.816 47.133 ( 0.000 -16.886 -4.204) 17.401 47.189 ( 0.000 -30.036 -2.734) 30.160 48.053 ( 0.000 18.359 4.391) 18.877 48.479 ( 0.000 22.002 -6.652) 22.985 48.871 ( 0.000 -2.473 4.139) 4.821 49.542 ( 0.000 6.965 -21.860) 22.943 51.280 ( 0.000 7.949 6.906) 10.530 51.645 ( 0.000 -0.947 19.954) 19.977 52.016 ( 0.000 -9.138 -9.286) 13.028 52.200 ( 0.000 -11.341 -0.446) 11.350 56.785 ( 0.000 4.186 2.762) 5.015 56.926 ( 0.000 3.556 -0.720) 3.628 57.006 ( 0.000 4.009 0.456) 4.035 57.038 ( 0.000 2.742 -0.627) 2.813 57.364 ( 0.000 -2.352 -1.155) 2.621 57.440 ( 0.000 -2.342 -2.688) 3.565 57.592 ( 0.000 -2.859 2.196) 3.605 57.644 ( 0.000 -4.532 0.924) 4.626 60.422 ( 0.000 0.469 -0.350) 0.586 60.446 ( 0.000 -0.005 -0.210) 0.210 60.476 ( 0.000 -1.542 0.996) 1.835 60.495 ( 0.000 -0.741 -0.822) 1.107 ======================= Grid point 71 (29/54) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 1.939 -0.804 2.400) 3.188 1.599 ( 12.963 18.168 -2.291) 22.436 1.755 ( 10.043 9.797 5.680) 15.136 1.979 ( 2.789 -2.005 -4.372) 5.560 2.182 ( -4.526 4.023 3.475) 6.982 2.337 ( 1.477 5.697 -2.307) 6.321 2.596 ( -1.317 15.666 8.306) 17.781 2.691 ( -5.484 5.883 -9.566) 12.498 2.889 ( 2.134 14.227 -1.572) 14.472 2.951 ( -1.897 18.191 1.121) 18.324 3.083 ( -0.988 11.007 7.958) 13.619 3.163 ( 4.161 -3.010 -4.639) 6.921 3.300 ( -2.743 5.401 -0.474) 6.076 3.438 ( 2.552 11.407 -2.404) 11.934 3.547 ( 4.030 0.552 0.268) 4.076 3.616 ( 0.403 1.805 4.492) 4.858 3.692 ( 0.424 -3.568 -7.259) 8.099 3.902 ( 6.017 -1.538 -3.793) 7.277 4.055 ( -1.349 1.674 -4.916) 5.366 4.173 ( -0.698 2.253 -4.714) 5.271 4.323 ( -2.196 1.723 -1.521) 3.179 4.375 ( -4.717 -0.352 -0.418) 4.749 4.456 ( -2.862 -1.475 1.762) 3.670 4.555 ( -8.898 -1.351 0.667) 9.024 4.585 ( -1.157 -4.194 1.270) 4.533 4.650 ( 5.189 -3.693 -0.043) 6.369 4.661 ( -10.319 -3.224 -0.727) 10.835 4.799 ( -2.894 -5.531 -1.224) 6.361 4.888 ( -3.957 -3.587 3.144) 6.198 4.939 ( -2.662 -0.627 -0.672) 2.816 4.959 ( -5.744 -7.992 2.547) 10.166 5.067 ( -6.363 1.649 0.390) 6.585 5.113 ( -1.910 -7.618 -2.287) 8.181 5.325 ( -0.649 -0.198 0.525) 0.858 5.389 ( -3.156 -0.891 -3.364) 4.698 5.502 ( 2.250 -2.807 -2.842) 4.585 5.568 ( -4.117 -1.981 0.927) 4.662 5.620 ( 8.100 -3.135 -4.495) 9.780 5.721 ( 3.324 -0.317 6.582) 7.380 5.831 ( 0.519 -2.561 8.423) 8.819 6.045 ( 8.968 -1.969 1.296) 9.272 6.130 ( 5.000 -0.860 0.279) 5.082 6.239 ( 9.383 -4.742 9.473) 14.151 6.483 ( 5.007 -3.310 7.149) 9.335 6.739 ( -0.957 1.824 -11.648) 11.829 6.805 ( -1.772 -0.572 -6.068) 6.348 6.950 ( -3.278 1.483 0.302) 3.611 6.976 ( -0.281 3.649 -2.147) 4.243 8.368 ( -0.077 12.079 1.773) 12.208 8.410 ( -1.265 8.881 2.756) 9.384 8.535 ( 3.122 5.930 2.792) 7.260 8.775 ( -2.313 2.464 -1.875) 3.865 13.035 ( 0.023 -1.822 0.045) 1.823 13.087 ( -1.355 -1.859 1.615) 2.811 13.165 ( 2.295 -4.726 -0.501) 5.278 13.310 ( -1.130 -5.898 -1.916) 6.304 13.660 ( -0.695 14.044 0.091) 14.062 13.668 ( -0.566 14.606 -0.081) 14.617 13.771 ( 1.199 11.651 0.426) 11.720 13.807 ( 0.221 11.631 -0.366) 11.639 20.114 ( 0.335 3.294 0.557) 3.358 20.172 ( -1.038 2.106 -0.318) 2.369 20.192 ( 0.055 1.527 -0.832) 1.740 20.199 ( -0.085 1.274 -0.417) 1.343 20.791 ( 0.409 -2.800 0.571) 2.887 20.803 ( 0.452 -3.027 0.437) 3.092 20.842 ( -0.680 -2.477 0.280) 2.584 20.853 ( -0.603 -2.713 0.085) 2.780 21.034 ( 0.180 0.825 0.039) 0.845 21.040 ( 0.464 0.608 -0.098) 0.771 21.046 ( -0.053 1.280 -0.233) 1.302 21.075 ( -0.326 0.488 -0.593) 0.834 22.462 ( 0.430 -3.165 0.654) 3.260 22.486 ( -0.264 -3.930 0.641) 3.991 22.523 ( 0.716 -4.662 -0.458) 4.738 22.565 ( -0.279 -4.938 -0.785) 5.008 23.644 ( 0.244 0.320 0.082) 0.410 23.656 ( 0.088 0.255 -0.117) 0.294 23.665 ( 0.099 0.119 0.240) 0.285 23.679 ( -0.046 -0.413 0.041) 0.418 24.067 ( 0.009 0.793 0.176) 0.813 24.097 ( -0.307 0.874 -0.661) 1.138 24.164 ( 0.248 -0.864 0.967) 1.320 24.208 ( -0.440 -1.298 -0.269) 1.397 24.609 ( 0.269 0.367 0.183) 0.490 24.624 ( 0.688 0.083 -0.056) 0.695 24.667 ( -1.081 0.543 -0.088) 1.213 24.690 ( -0.536 0.020 -0.418) 0.680 26.218 ( 0.071 -2.402 0.141) 2.407 26.227 ( -0.146 -2.468 0.155) 2.477 26.235 ( 0.131 -2.709 -0.129) 2.715 26.242 ( -0.033 -2.784 -0.064) 2.785 28.681 ( 0.245 -0.697 0.526) 0.907 28.704 ( 0.241 -1.119 0.026) 1.145 28.705 ( -0.064 -0.918 0.056) 0.922 28.732 ( -0.217 -1.395 -0.500) 1.498 46.888 ( 2.063 -13.265 -0.164) 13.426 46.957 ( 2.221 -12.423 1.503) 12.709 47.142 ( 0.952 -18.158 -1.480) 18.243 47.258 ( 4.691 -31.628 -2.314) 32.057 48.109 ( 5.150 18.256 3.432) 19.277 48.436 ( -3.600 22.169 -4.983) 23.005 48.779 ( -7.282 -3.191 3.049) 8.515 49.312 ( -18.712 8.052 -15.870) 25.823 51.297 ( 1.635 7.524 7.384) 10.668 51.547 ( -6.180 2.905 16.457) 17.817 52.042 ( 1.418 -9.287 -9.280) 13.206 52.197 ( -1.163 -12.299 -2.086) 12.529 56.792 ( 0.864 3.949 2.308) 4.655 56.940 ( -1.156 2.748 -1.042) 3.158 57.023 ( 3.089 3.827 0.253) 4.925 57.069 ( 2.178 2.796 -0.317) 3.559 57.410 ( 3.943 -2.434 -1.125) 4.769 57.490 ( 3.564 -3.235 -2.602) 5.472 57.590 ( 0.223 -3.364 2.112) 3.978 57.652 ( 0.288 -3.822 0.236) 3.840 60.406 ( -0.679 0.794 0.169) 1.058 60.436 ( -0.951 0.356 0.234) 1.042 60.496 ( 1.954 -1.570 0.266) 2.521 60.527 ( 1.748 -1.716 0.026) 2.450 ======================= Grid point 72 (30/54) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 7.019 2.672 3.351) 8.224 1.733 ( -7.561 6.006 0.145) 9.657 1.900 ( 9.178 13.030 -3.078) 16.232 2.029 ( -0.348 5.504 -5.281) 7.636 2.275 ( 7.255 2.955 5.340) 9.481 2.334 ( -1.238 2.585 2.171) 3.596 2.564 ( 2.011 10.134 1.085) 10.389 2.639 ( -1.372 11.127 -5.885) 12.662 2.885 ( -1.308 14.017 -2.752) 14.344 2.909 ( -1.428 16.953 -1.131) 17.050 3.093 ( 2.764 7.202 6.277) 9.945 3.190 ( -4.933 4.462 3.432) 7.485 3.336 ( 7.647 6.424 -7.448) 12.459 3.451 ( -2.000 10.015 -5.840) 11.765 3.631 ( 0.625 -0.874 1.642) 1.963 3.660 ( 2.192 -3.077 3.642) 5.248 3.708 ( 4.437 -2.452 -2.131) 5.499 3.900 ( -8.665 3.125 0.226) 9.214 4.064 ( 4.230 -1.390 -6.133) 7.579 4.136 ( -2.473 -1.914 -5.144) 6.020 4.245 ( -2.448 0.370 -0.310) 2.495 4.289 ( -7.468 -0.480 0.028) 7.484 4.340 ( -0.950 3.085 0.450) 3.259 4.357 ( -4.014 -0.732 -0.112) 4.082 4.552 ( -1.354 -5.413 0.537) 5.606 4.561 ( -1.839 -1.954 2.348) 3.565 4.704 ( 1.127 -5.673 0.809) 5.840 4.772 ( -4.026 -4.910 1.841) 6.611 4.850 ( 2.150 -2.740 1.754) 3.900 4.863 ( -0.062 -2.532 2.727) 3.722 4.944 ( 2.109 0.283 -1.452) 2.577 4.991 ( -1.649 -0.939 0.379) 1.935 5.087 ( 0.127 -4.338 -0.793) 4.411 5.186 ( -7.974 0.007 3.416) 8.675 5.378 ( 1.198 -3.476 -3.904) 5.363 5.430 ( -3.445 -2.816 -1.922) 4.846 5.638 ( 4.095 -3.792 0.621) 5.616 5.707 ( -1.790 -0.632 2.931) 3.492 5.839 ( 7.836 -6.349 -2.696) 10.439 5.912 ( 3.644 -2.112 5.746) 7.125 6.119 ( -0.403 -1.624 -3.379) 3.770 6.168 ( -1.920 5.083 4.119) 6.818 6.446 ( 8.787 -5.781 5.092) 11.686 6.563 ( -0.229 -3.014 4.992) 5.836 6.721 ( 1.040 1.118 -6.425) 6.604 6.797 ( -2.274 2.672 -4.016) 5.333 6.889 ( 0.949 -1.064 -1.615) 2.155 6.951 ( -2.357 1.071 -2.258) 3.436 8.371 ( 0.412 11.113 2.356) 11.367 8.386 ( -0.946 10.165 2.881) 10.608 8.616 ( 4.099 4.779 0.502) 6.316 8.706 ( -3.856 3.490 -1.044) 5.305 13.041 ( 0.554 -1.683 0.779) 1.935 13.060 ( -1.106 -1.567 1.365) 2.354 13.220 ( 2.586 -5.693 -1.179) 6.363 13.273 ( -2.154 -6.089 -1.680) 6.674 13.651 ( -0.107 14.557 0.072) 14.558 13.656 ( -0.481 14.732 -0.031) 14.740 13.796 ( 0.921 11.563 0.122) 11.600 13.809 ( -0.218 11.567 -0.149) 11.570 20.125 ( 0.750 3.127 0.477) 3.251 20.146 ( -1.144 2.744 0.226) 2.982 20.194 ( 0.109 1.405 -0.809) 1.625 20.196 ( -0.128 1.313 -0.613) 1.455 20.804 ( 0.766 -2.692 0.465) 2.837 20.816 ( 0.724 -2.930 0.307) 3.034 20.823 ( -0.860 -2.593 0.402) 2.762 20.836 ( -0.880 -2.835 0.230) 2.977 21.039 ( 0.264 1.009 -0.040) 1.043 21.044 ( -0.163 1.170 -0.144) 1.190 21.052 ( 0.609 0.578 -0.301) 0.892 21.065 ( -0.551 0.540 -0.476) 0.906 22.473 ( 0.441 -3.470 0.586) 3.546 22.481 ( -0.289 -3.720 0.580) 3.775 22.540 ( 0.771 -4.785 -0.519) 4.874 22.555 ( -0.565 -4.875 -0.661) 4.952 23.651 ( 0.290 0.368 0.153) 0.493 23.656 ( -0.132 0.347 0.151) 0.401 23.670 ( 0.298 0.028 -0.023) 0.300 23.676 ( -0.209 -0.179 -0.043) 0.278 24.071 ( 0.433 0.956 0.192) 1.066 24.085 ( -0.687 1.020 -0.091) 1.233 24.176 ( 0.758 -1.239 0.220) 1.469 24.194 ( -0.824 -1.380 -0.190) 1.619 24.620 ( 0.680 0.603 0.148) 0.920 24.636 ( -0.389 0.617 -0.275) 0.779 24.650 ( 0.397 0.193 0.218) 0.492 24.672 ( -1.052 0.029 -0.282) 1.089 26.220 ( 0.129 -2.413 0.135) 2.420 26.223 ( -0.157 -2.433 0.130) 2.441 26.238 ( 0.128 -2.747 -0.103) 2.752 26.240 ( -0.084 -2.770 -0.088) 2.772 28.689 ( 0.391 -0.714 0.391) 0.903 28.697 ( -0.382 -0.738 0.219) 0.859 28.715 ( 0.521 -1.378 -0.186) 1.485 28.725 ( -0.414 -1.407 -0.366) 1.512 46.931 ( 2.740 -14.296 0.014) 14.556 46.989 ( -1.434 -11.798 -1.244) 11.950 47.227 ( 6.487 -19.654 0.410) 20.700 47.320 ( -0.446 -28.814 -1.611) 28.862 48.259 ( 6.835 19.539 0.668) 20.710 48.352 ( -3.284 21.231 -1.596) 21.543 48.651 ( -0.619 -2.159 0.264) 2.262 48.868 ( -18.373 6.307 -6.306) 20.423 51.351 ( 3.138 7.102 8.513) 11.521 51.432 ( -4.324 6.278 11.332) 13.657 52.077 ( 2.166 -10.153 -8.054) 13.139 52.141 ( -3.356 -11.599 -5.489) 13.264 56.827 ( 2.290 3.472 1.578) 4.449 56.887 ( -2.930 3.162 0.460) 4.336 57.092 ( 2.191 3.063 -0.842) 3.859 57.107 ( 0.786 2.757 -0.615) 2.932 57.503 ( 3.601 -3.060 -1.383) 4.924 57.542 ( 0.332 -3.694 -1.660) 4.063 57.613 ( 1.759 -3.633 0.761) 4.107 57.645 ( -0.938 -3.254 -0.198) 3.392 60.402 ( 0.319 1.069 0.691) 1.312 60.416 ( -0.819 0.839 0.707) 1.369 60.538 ( 1.497 -2.176 0.496) 2.687 60.552 ( 0.293 -2.299 0.469) 2.365 ======================= Grid point 75 (31/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.000 1.376 1.111) 1.769 1.692 ( 0.000 -6.344 -5.789) 8.588 1.846 ( 0.000 17.727 5.481) 18.555 1.972 ( 0.000 10.278 -5.396) 11.608 2.347 ( 0.000 1.833 -6.788) 7.031 2.396 ( 0.000 2.810 -0.268) 2.823 2.719 ( 0.000 -0.903 4.584) 4.672 2.944 ( 0.000 -7.903 -1.933) 8.136 2.983 ( 0.000 9.590 0.907) 9.633 3.018 ( 0.000 2.868 -0.806) 2.979 3.102 ( 0.000 0.321 2.704) 2.723 3.346 ( 0.000 12.753 7.679) 14.887 3.447 ( 0.000 5.367 4.031) 6.712 3.477 ( 0.000 -8.386 0.103) 8.387 3.670 ( 0.000 9.910 -5.066) 11.130 3.689 ( 0.000 11.201 0.485) 11.212 3.752 ( 0.000 -2.396 -10.255) 10.532 3.792 ( 0.000 6.407 -0.487) 6.425 4.122 ( 0.000 4.328 -10.153) 11.037 4.232 ( 0.000 1.201 -6.253) 6.367 4.383 ( 0.000 -1.291 -5.074) 5.235 4.416 ( 0.000 -1.339 0.265) 1.365 4.423 ( 0.000 -3.060 -0.423) 3.089 4.449 ( 0.000 -2.678 -2.919) 3.961 4.596 ( 0.000 0.407 5.108) 5.124 4.641 ( 0.000 3.068 7.420) 8.029 4.727 ( 0.000 -3.898 0.655) 3.953 4.760 ( 0.000 -4.735 1.221) 4.890 4.856 ( 0.000 -6.022 -0.348) 6.032 4.906 ( 0.000 -8.738 -0.544) 8.755 4.964 ( 0.000 -0.885 2.381) 2.540 4.978 ( 0.000 -0.256 4.895) 4.902 5.229 ( 0.000 -3.636 -2.844) 4.616 5.271 ( 0.000 -1.549 -7.671) 7.826 5.356 ( 0.000 5.705 0.618) 5.738 5.502 ( 0.000 2.695 -3.961) 4.791 5.588 ( 0.000 -1.519 0.694) 1.670 5.612 ( 0.000 -6.729 0.063) 6.729 5.703 ( 0.000 0.430 10.669) 10.677 5.720 ( 0.000 2.318 -1.993) 3.057 5.855 ( 0.000 -4.976 12.862) 13.791 5.877 ( 0.000 -5.609 -9.175) 10.754 6.174 ( 0.000 4.448 14.375) 15.047 6.346 ( 0.000 -3.989 10.033) 10.797 6.790 ( 0.000 1.217 -11.763) 11.826 6.814 ( 0.000 -0.709 -8.790) 8.819 7.027 ( 0.000 1.763 -0.662) 1.883 7.041 ( 0.000 1.853 -1.664) 2.491 8.556 ( 0.000 4.799 2.054) 5.220 8.567 ( 0.000 5.936 1.794) 6.201 8.618 ( 0.000 7.200 2.761) 7.711 8.813 ( 0.000 -1.141 -1.152) 1.622 13.007 ( 0.000 -0.917 -0.539) 1.064 13.051 ( 0.000 -3.191 -1.155) 3.394 13.098 ( 0.000 0.394 1.870) 1.911 13.213 ( 0.000 -5.124 -0.967) 5.215 13.902 ( 0.000 9.119 0.099) 9.119 13.919 ( 0.000 9.494 -0.423) 9.503 13.949 ( 0.000 7.501 0.672) 7.531 13.990 ( 0.000 6.647 -0.363) 6.657 20.169 ( 0.000 2.558 0.273) 2.572 20.212 ( 0.000 1.030 -0.705) 1.248 20.215 ( 0.000 0.267 -0.150) 0.307 20.216 ( 0.000 0.880 -0.221) 0.907 20.739 ( 0.000 -1.829 0.632) 1.936 20.745 ( 0.000 -2.130 0.566) 2.204 20.808 ( 0.000 -1.630 0.198) 1.642 20.813 ( 0.000 -1.892 0.067) 1.893 21.043 ( 0.000 0.417 -0.013) 0.417 21.045 ( 0.000 0.392 0.049) 0.395 21.069 ( 0.000 0.932 -0.451) 1.035 21.084 ( 0.000 0.113 -0.616) 0.626 22.412 ( 0.000 -1.535 0.118) 1.540 22.428 ( 0.000 -1.971 0.748) 2.108 22.436 ( 0.000 -3.124 -0.304) 3.139 22.478 ( 0.000 -3.905 -0.443) 3.930 23.647 ( 0.000 0.322 0.056) 0.327 23.657 ( 0.000 0.006 -0.217) 0.217 23.666 ( 0.000 0.061 0.321) 0.327 23.670 ( 0.000 -0.321 0.316) 0.450 24.084 ( 0.000 0.903 -0.082) 0.907 24.109 ( 0.000 0.089 -0.968) 0.972 24.156 ( 0.000 0.091 0.944) 0.948 24.189 ( 0.000 -1.212 -0.149) 1.221 24.611 ( 0.000 0.156 0.154) 0.219 24.615 ( 0.000 -0.060 0.127) 0.140 24.687 ( 0.000 0.239 -0.185) 0.302 24.694 ( 0.000 -0.078 -0.251) 0.263 26.179 ( 0.000 -1.404 0.083) 1.406 26.188 ( 0.000 -1.824 -0.118) 1.828 26.188 ( 0.000 -1.496 0.105) 1.499 26.195 ( 0.000 -1.838 -0.040) 1.839 28.668 ( 0.000 -0.318 0.431) 0.535 28.679 ( 0.000 -0.846 0.176) 0.864 28.696 ( 0.000 -0.307 -0.119) 0.329 28.710 ( 0.000 -1.030 -0.406) 1.107 46.566 ( 0.000 -13.196 1.786) 13.317 46.686 ( 0.000 -19.621 -0.543) 19.629 46.692 ( 0.000 -8.527 0.974) 8.582 46.797 ( 0.000 -14.669 -1.428) 14.738 48.426 ( 0.000 17.121 3.753) 17.528 48.716 ( 0.000 2.868 -2.123) 3.568 49.072 ( 0.000 18.367 0.370) 18.370 49.565 ( 0.000 -4.136 -12.887) 13.535 51.461 ( 0.000 10.018 2.843) 10.413 51.702 ( 0.000 5.685 10.499) 11.939 51.838 ( 0.000 -9.220 -4.849) 10.417 52.003 ( 0.000 -9.049 0.701) 9.076 56.936 ( 0.000 10.830 1.755) 10.971 57.025 ( 0.000 6.364 -0.152) 6.366 57.100 ( 0.000 5.856 -0.023) 5.856 57.120 ( 0.000 6.230 -0.809) 6.282 57.286 ( 0.000 -5.506 -0.837) 5.569 57.352 ( 0.000 -6.423 -2.180) 6.783 57.453 ( 0.000 -10.624 1.592) 10.743 57.495 ( 0.000 -9.988 0.556) 10.004 60.431 ( 0.000 0.383 0.044) 0.386 60.443 ( 0.000 -0.291 -0.189) 0.347 60.459 ( 0.000 -0.113 0.019) 0.114 60.481 ( 0.000 -0.699 -0.753) 1.028 ======================= Grid point 76 (32/54) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 5.142 2.786 1.395) 6.013 1.764 ( 6.209 -6.853 -6.193) 11.130 1.995 ( 0.624 9.167 -6.597) 11.312 2.039 ( 15.196 15.803 4.436) 22.368 2.236 ( -7.990 2.439 -4.131) 9.319 2.470 ( 4.504 6.721 3.711) 8.902 2.684 ( -0.473 -4.191 -1.538) 4.489 2.855 ( -3.215 4.712 -2.882) 6.391 2.977 ( -4.049 -0.333 3.143) 5.136 3.068 ( 1.016 0.124 4.077) 4.204 3.099 ( 2.807 3.015 -5.332) 6.738 3.365 ( -2.490 5.598 -0.048) 6.127 3.469 ( 2.885 2.938 1.602) 4.418 3.528 ( 5.601 2.339 7.624) 9.745 3.617 ( -0.951 10.831 0.488) 10.884 3.723 ( -1.603 2.824 -5.517) 6.402 3.743 ( -0.494 9.400 -2.294) 9.689 3.847 ( 5.372 -3.311 -3.831) 7.382 4.099 ( -2.835 2.372 -7.707) 8.548 4.174 ( -4.738 -1.856 -8.045) 9.519 4.361 ( -3.826 0.590 0.513) 3.905 4.380 ( -1.427 2.292 0.333) 2.720 4.426 ( 0.468 -1.811 0.777) 2.026 4.497 ( -3.191 -3.933 0.124) 5.066 4.530 ( -9.182 -1.120 1.882) 9.439 4.561 ( -2.036 -3.226 -2.047) 4.329 4.618 ( -3.717 -1.010 3.035) 4.904 4.737 ( -0.545 -2.550 0.360) 2.632 4.819 ( -0.620 -3.460 2.261) 4.180 4.892 ( -2.366 1.744 2.829) 4.079 4.920 ( -0.152 -2.139 -0.332) 2.170 4.975 ( -0.123 -4.644 -0.464) 4.669 5.121 ( -9.078 3.118 -0.024) 9.599 5.309 ( -1.870 -2.374 4.898) 5.755 5.367 ( -4.678 -1.800 -2.014) 5.402 5.421 ( 5.903 -3.550 -1.386) 7.026 5.519 ( -6.397 -2.291 0.347) 6.804 5.554 ( 1.397 -3.518 -2.994) 4.827 5.756 ( 2.279 3.180 1.361) 4.142 5.831 ( 4.332 2.094 6.121) 7.786 5.964 ( 7.550 -4.617 -2.872) 9.304 6.055 ( 11.961 -5.704 3.800) 13.785 6.250 ( 5.082 3.954 10.725) 12.510 6.418 ( 5.797 -3.666 8.022) 10.555 6.765 ( -1.960 0.981 -10.259) 10.490 6.797 ( -0.688 -0.441 -8.169) 8.209 6.986 ( -3.583 1.984 -0.518) 4.129 7.023 ( -1.833 0.999 -1.945) 2.853 8.546 ( -0.177 6.117 2.346) 6.554 8.586 ( 0.234 7.825 0.828) 7.873 8.625 ( 1.318 3.785 2.861) 4.924 8.794 ( -1.718 -0.842 -0.903) 2.116 13.009 ( 0.300 -0.622 -0.215) 0.724 13.060 ( 0.338 -1.900 -0.878) 2.120 13.093 ( 0.005 -1.330 1.319) 1.873 13.199 ( -1.273 -5.164 -0.988) 5.409 13.899 ( -0.145 9.559 0.127) 9.561 13.916 ( -0.297 9.921 -0.317) 9.931 13.959 ( 0.808 6.886 0.451) 6.948 13.991 ( 0.071 6.489 -0.305) 6.497 20.171 ( 0.210 2.473 0.256) 2.495 20.206 ( -0.551 1.289 -0.268) 1.427 20.215 ( -0.047 0.337 -0.220) 0.405 20.215 ( -0.060 0.743 -0.499) 0.897 20.744 ( 0.472 -1.801 0.591) 1.953 20.751 ( 0.489 -2.116 0.528) 2.235 20.800 ( -0.720 -1.637 0.241) 1.805 20.805 ( -0.676 -1.927 0.138) 2.047 21.047 ( 0.326 0.493 -0.034) 0.592 21.049 ( 0.415 0.356 -0.066) 0.551 21.068 ( -0.129 0.886 -0.405) 0.983 21.081 ( -0.273 0.151 -0.568) 0.648 22.415 ( 0.228 -1.607 0.158) 1.630 22.426 ( -0.082 -1.891 0.548) 1.970 22.443 ( 0.550 -3.237 -0.189) 3.289 22.476 ( -0.211 -3.850 -0.422) 3.879 23.651 ( 0.286 0.346 0.081) 0.457 23.659 ( 0.204 0.081 -0.135) 0.258 23.667 ( 0.044 0.040 0.250) 0.257 23.671 ( 0.069 -0.300 0.234) 0.387 24.085 ( 0.174 1.027 -0.012) 1.042 24.111 ( 0.124 0.391 -0.892) 0.982 24.151 ( -0.353 -0.314 0.847) 0.970 24.183 ( -0.582 -1.313 -0.182) 1.447 24.615 ( 0.448 0.283 0.170) 0.556 24.623 ( 0.709 -0.099 0.034) 0.717 24.677 ( -0.865 0.406 -0.064) 0.957 24.688 ( -0.595 -0.171 -0.258) 0.671 26.179 ( 0.068 -1.403 0.082) 1.407 26.187 ( -0.087 -1.524 0.004) 1.527 26.189 ( 0.072 -1.790 -0.011) 1.792 26.195 ( -0.037 -1.850 -0.047) 1.851 28.671 ( 0.244 -0.311 0.380) 0.548 28.682 ( 0.321 -0.890 0.109) 0.952 28.693 ( -0.220 -0.303 -0.066) 0.380 28.708 ( -0.222 -1.030 -0.357) 1.112 46.584 ( 1.908 -12.150 1.258) 12.364 46.709 ( 2.250 -15.371 -1.358) 15.594 46.750 ( 3.701 -14.991 0.744) 15.459 46.801 ( 0.367 -14.751 -0.919) 14.784 48.470 ( 4.365 15.947 3.277) 16.855 48.689 ( -1.778 4.437 -0.860) 4.856 48.977 ( -7.903 17.924 0.232) 19.590 49.389 ( -14.713 -0.802 -9.934) 17.771 51.470 ( 1.034 9.754 3.397) 10.380 51.652 ( -3.308 7.022 8.308) 11.369 51.860 ( 1.156 -9.440 -4.655) 10.589 51.984 ( -1.780 -9.664 -0.018) 9.826 56.933 ( 0.157 10.129 1.268) 10.210 57.033 ( -0.654 6.728 -0.878) 6.817 57.116 ( 2.272 5.844 0.387) 6.282 57.153 ( 2.047 6.081 -0.408) 6.429 57.323 ( 3.081 -6.287 -1.063) 7.081 57.377 ( 1.817 -8.023 -1.907) 8.444 57.453 ( 0.587 -9.808 1.809) 9.991 57.515 ( 1.090 -9.512 -0.061) 9.575 60.424 ( -0.137 0.992 0.116) 1.008 60.448 ( -0.372 0.918 -0.036) 0.991 60.468 ( 1.340 -1.311 -0.013) 1.875 60.497 ( 0.934 -1.435 -0.340) 1.745 ======================= Grid point 77 (33/54) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 10.282 5.481 0.622) 11.669 1.865 ( -10.057 6.848 -3.153) 12.569 1.936 ( 7.153 -7.402 -5.616) 11.725 2.094 ( -5.662 -1.186 -7.047) 9.117 2.379 ( 11.606 12.651 2.993) 17.427 2.512 ( -0.299 12.162 6.100) 13.610 2.753 ( 3.531 5.992 -4.812) 8.457 2.837 ( 0.980 10.108 1.417) 10.253 2.920 ( 1.957 -6.915 -1.782) 7.404 3.037 ( -4.419 0.823 1.787) 4.837 3.177 ( 4.117 -0.775 -6.849) 8.028 3.273 ( -4.320 -1.857 -5.382) 7.147 3.529 ( 2.225 9.070 4.136) 10.214 3.577 ( -1.757 6.495 4.277) 7.973 3.673 ( 0.026 4.702 -0.062) 4.703 3.680 ( -1.973 5.303 -1.029) 5.751 3.743 ( 6.555 3.786 -0.519) 7.588 3.948 ( -9.105 0.932 -2.754) 9.557 3.967 ( 3.639 -5.224 -1.513) 6.544 4.063 ( -4.834 -4.633 -4.114) 7.859 4.276 ( -2.206 -0.123 -0.807) 2.352 4.298 ( -3.542 1.927 -0.833) 4.118 4.337 ( -2.465 -1.256 -0.599) 2.831 4.374 ( -4.416 -2.441 -0.539) 5.075 4.492 ( 2.588 1.369 2.634) 3.938 4.546 ( -2.478 1.922 4.298) 5.320 4.608 ( 1.937 -3.642 1.108) 4.272 4.679 ( -4.249 -3.951 3.039) 6.550 4.839 ( 1.973 1.386 -1.722) 2.963 4.870 ( -0.483 1.819 -2.044) 2.779 4.936 ( 0.836 -1.199 -2.139) 2.591 4.958 ( -1.709 -2.204 -1.989) 3.426 5.059 ( 4.196 1.764 4.809) 6.621 5.197 ( -6.352 0.774 6.166) 8.886 5.287 ( -0.882 -5.778 -0.067) 5.846 5.353 ( -5.856 -4.972 2.020) 7.943 5.590 ( 6.950 -0.736 -1.306) 7.110 5.695 ( 5.927 -4.350 -2.411) 7.737 5.721 ( -2.366 -0.524 0.236) 2.434 5.842 ( -3.932 -4.702 0.055) 6.130 6.139 ( 8.433 3.415 1.889) 9.293 6.273 ( -0.539 4.691 3.518) 5.889 6.337 ( 8.316 -4.654 4.036) 10.350 6.487 ( -2.292 -4.593 3.436) 6.177 6.756 ( 3.017 2.260 -4.782) 6.089 6.834 ( 3.174 -0.008 -5.067) 5.979 6.882 ( -4.407 1.217 -1.131) 4.709 6.955 ( -4.386 -0.734 -2.617) 5.159 8.552 ( 0.708 7.387 2.100) 7.713 8.572 ( -1.007 8.420 1.585) 8.627 8.677 ( 2.935 1.215 1.099) 3.362 8.742 ( -2.837 -0.004 -0.158) 2.841 13.023 ( 0.924 -0.018 0.322) 0.978 13.047 ( -1.151 0.380 0.529) 1.322 13.117 ( 1.846 -4.555 -0.600) 4.952 13.161 ( -2.007 -5.100 -0.965) 5.565 13.900 ( 0.229 10.125 0.060) 10.127 13.907 ( -0.431 10.259 -0.112) 10.268 13.978 ( 0.761 6.344 0.110) 6.391 13.990 ( -0.288 6.270 -0.146) 6.278 20.179 ( 0.468 2.216 0.189) 2.273 20.191 ( -0.674 1.789 0.032) 1.912 20.214 ( -0.025 0.446 -0.365) 0.577 20.214 ( -0.038 0.548 -0.477) 0.728 20.759 ( 0.855 -1.734 0.483) 1.993 20.766 ( 0.858 -2.068 0.418) 2.278 20.780 ( -0.997 -1.676 0.361) 1.983 20.787 ( -0.975 -2.004 0.284) 2.247 21.055 ( 0.411 0.626 -0.146) 0.763 21.061 ( 0.567 0.309 -0.260) 0.696 21.063 ( -0.287 0.767 -0.291) 0.869 21.073 ( -0.491 0.234 -0.439) 0.698 22.420 ( 0.240 -1.699 0.273) 1.737 22.424 ( -0.106 -1.748 0.419) 1.800 22.457 ( 0.618 -3.502 -0.271) 3.566 22.469 ( -0.454 -3.707 -0.364) 3.752 23.658 ( 0.293 0.363 0.129) 0.485 23.662 ( -0.046 0.295 0.114) 0.319 23.669 ( 0.171 -0.111 0.032) 0.206 23.672 ( -0.041 -0.223 0.080) 0.241 24.093 ( 0.569 1.248 0.052) 1.373 24.107 ( -0.546 1.235 -0.272) 1.377 24.150 ( 0.434 -1.337 0.192) 1.419 24.166 ( -0.859 -1.473 -0.180) 1.714 24.630 ( 0.882 0.506 0.122) 1.024 24.643 ( 0.835 0.023 -0.180) 0.855 24.655 ( -0.841 0.367 0.166) 0.933 24.669 ( -1.054 -0.233 -0.171) 1.093 26.181 ( 0.117 -1.406 0.074) 1.413 26.184 ( -0.128 -1.429 0.054) 1.436 26.191 ( 0.104 -1.871 -0.051) 1.874 26.193 ( -0.083 -1.872 -0.057) 1.874 28.678 ( 0.384 -0.299 0.243) 0.545 28.687 ( -0.369 -0.296 0.073) 0.479 28.691 ( 0.457 -0.969 -0.050) 1.073 28.701 ( -0.399 -1.017 -0.225) 1.115 46.650 ( 3.785 -11.175 0.166) 11.800 46.723 ( -1.991 -11.696 -1.468) 11.955 46.815 ( 2.296 -20.043 -0.170) 20.175 46.830 ( 1.320 -17.158 -0.482) 17.215 48.616 ( 7.223 14.293 1.121) 16.053 48.700 ( 4.678 9.898 -0.441) 10.956 48.786 ( -6.815 13.912 1.334) 15.549 49.011 ( -17.488 5.053 -3.979) 18.633 51.512 ( 2.694 9.095 4.248) 10.393 51.579 ( -3.286 8.404 5.783) 10.718 51.885 ( 1.486 -9.664 -4.027) 10.574 51.931 ( -2.620 -9.877 -2.056) 10.423 56.952 ( 1.585 9.107 0.537) 9.260 56.996 ( -2.196 7.954 -0.364) 8.260 57.170 ( 1.847 5.138 0.016) 5.460 57.185 ( 0.537 5.285 -0.275) 5.319 57.389 ( 2.174 -8.251 -1.337) 8.636 57.407 ( 0.489 -9.370 -1.263) 9.467 57.488 ( 2.232 -8.347 0.838) 8.681 57.523 ( -0.593 -8.476 -0.202) 8.499 60.428 ( 0.442 1.529 0.291) 1.618 60.439 ( -0.481 1.474 0.209) 1.565 60.497 ( 1.105 -1.975 0.160) 2.269 60.509 ( 0.052 -2.056 0.047) 2.057 ======================= Grid point 80 (34/54) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 -9.441 -1.238) 9.522 1.505 ( 0.000 9.441 -1.238) 9.522 2.090 ( 0.000 -3.470 -3.428) 4.878 2.090 ( 0.000 3.470 -3.428) 4.878 2.376 ( 0.000 -2.528 -7.828) 8.226 2.376 ( 0.000 2.528 -7.828) 8.226 2.761 ( 0.000 -7.379 9.223) 11.811 2.761 ( 0.000 7.379 9.223) 11.811 3.047 ( 0.000 -0.100 -0.059) 0.117 3.047 ( 0.000 0.100 -0.059) 0.117 3.268 ( 0.000 -11.785 -0.306) 11.789 3.268 ( 0.000 11.785 -0.306) 11.789 3.492 ( 0.000 -2.375 6.483) 6.904 3.492 ( 0.000 2.375 6.483) 6.904 3.737 ( 0.000 -0.410 -8.488) 8.497 3.737 ( 0.000 0.410 -8.488) 8.497 3.850 ( 0.000 -2.742 -1.251) 3.014 3.850 ( 0.000 2.742 -1.251) 3.014 4.203 ( 0.000 -3.606 -10.705) 11.296 4.203 ( 0.000 3.606 -10.705) 11.296 4.369 ( 0.000 -1.280 -2.516) 2.823 4.369 ( 0.000 1.280 -2.516) 2.823 4.423 ( 0.000 -0.976 0.096) 0.980 4.423 ( 0.000 0.976 0.096) 0.980 4.655 ( 0.000 -3.842 6.999) 7.985 4.655 ( 0.000 3.842 6.999) 7.985 4.694 ( 0.000 -0.166 0.550) 0.574 4.694 ( 0.000 0.166 0.550) 0.574 4.794 ( 0.000 -0.929 -0.043) 0.930 4.794 ( 0.000 0.929 -0.043) 0.930 4.972 ( 0.000 -0.782 4.750) 4.814 4.972 ( 0.000 0.782 4.750) 4.814 5.220 ( 0.000 -2.539 -3.318) 4.179 5.220 ( 0.000 2.539 -3.318) 4.179 5.468 ( 0.000 -5.918 -0.186) 5.921 5.468 ( 0.000 5.918 -0.186) 5.921 5.558 ( 0.000 -1.608 -0.734) 1.767 5.558 ( 0.000 1.608 -0.734) 1.767 5.753 ( 0.000 -4.478 4.274) 6.190 5.753 ( 0.000 4.478 4.274) 6.190 5.788 ( 0.000 -4.019 -0.423) 4.041 5.788 ( 0.000 4.019 -0.423) 4.041 6.263 ( 0.000 -4.484 12.164) 12.964 6.263 ( 0.000 4.484 12.164) 12.964 6.804 ( 0.000 -0.437 -10.320) 10.329 6.804 ( 0.000 0.437 -10.320) 10.329 7.052 ( 0.000 -0.598 -1.225) 1.364 7.052 ( 0.000 0.598 -1.225) 1.364 8.610 ( 0.000 -0.548 2.631) 2.687 8.610 ( 0.000 0.548 2.631) 2.687 8.751 ( 0.000 -5.264 0.001) 5.264 8.751 ( 0.000 5.264 0.001) 5.264 13.008 ( 0.000 -1.130 -0.727) 1.343 13.008 ( 0.000 1.130 -0.727) 1.343 13.132 ( 0.000 -3.046 0.323) 3.063 13.132 ( 0.000 3.046 0.323) 3.063 14.003 ( 0.000 -0.850 0.043) 0.851 14.003 ( 0.000 0.850 0.043) 0.851 14.043 ( 0.000 -1.467 -0.062) 1.469 14.043 ( 0.000 1.467 -0.062) 1.469 20.206 ( 0.000 -1.194 0.021) 1.194 20.206 ( 0.000 1.194 0.021) 1.194 20.224 ( 0.000 -0.093 -0.368) 0.379 20.224 ( 0.000 0.093 -0.368) 0.379 20.721 ( 0.000 -0.173 0.619) 0.643 20.721 ( 0.000 0.173 0.619) 0.643 20.792 ( 0.000 -0.140 0.135) 0.195 20.792 ( 0.000 0.140 0.135) 0.195 21.048 ( 0.000 -0.065 0.014) 0.067 21.048 ( 0.000 0.065 0.014) 0.067 21.082 ( 0.000 -0.386 -0.559) 0.680 21.082 ( 0.000 0.386 -0.559) 0.680 22.399 ( 0.000 -0.513 -0.077) 0.519 22.399 ( 0.000 0.513 -0.077) 0.519 22.424 ( 0.000 -1.464 0.139) 1.471 22.424 ( 0.000 1.464 0.139) 1.471 23.654 ( 0.000 -0.285 -0.044) 0.288 23.654 ( 0.000 0.285 -0.044) 0.288 23.667 ( 0.000 -0.044 0.322) 0.325 23.667 ( 0.000 0.044 0.322) 0.325 24.101 ( 0.000 -0.768 -0.427) 0.878 24.101 ( 0.000 0.768 -0.427) 0.878 24.167 ( 0.000 -0.963 0.213) 0.986 24.167 ( 0.000 0.963 0.213) 0.986 24.613 ( 0.000 -0.096 0.140) 0.170 24.613 ( 0.000 0.096 0.140) 0.170 24.692 ( 0.000 -0.194 -0.167) 0.256 24.692 ( 0.000 0.194 -0.167) 0.256 26.167 ( 0.000 -0.244 -0.003) 0.244 26.167 ( 0.000 0.244 -0.003) 0.244 26.175 ( 0.000 -0.170 0.006) 0.170 26.175 ( 0.000 0.170 0.006) 0.170 28.668 ( 0.000 -0.267 0.292) 0.396 28.668 ( 0.000 0.267 0.292) 0.396 28.696 ( 0.000 -0.378 -0.260) 0.459 28.696 ( 0.000 0.378 -0.260) 0.459 46.461 ( 0.000 -3.038 0.788) 3.139 46.461 ( 0.000 3.038 0.788) 3.139 46.623 ( 0.000 -2.499 -0.013) 2.499 46.623 ( 0.000 2.499 -0.013) 2.499 48.671 ( 0.000 -7.491 2.232) 7.816 48.671 ( 0.000 7.491 2.232) 7.816 49.394 ( 0.000 -13.149 -6.278) 14.571 49.394 ( 0.000 13.149 -6.278) 14.571 51.654 ( 0.000 -9.646 -0.739) 9.674 51.654 ( 0.000 9.646 -0.739) 9.674 51.839 ( 0.000 -7.889 4.224) 8.948 51.839 ( 0.000 7.889 4.224) 8.948 57.156 ( 0.000 -4.443 -0.113) 4.444 57.156 ( 0.000 4.443 -0.113) 4.444 57.179 ( 0.000 -9.588 0.134) 9.589 57.179 ( 0.000 9.588 0.134) 9.589 57.240 ( 0.000 -8.650 0.024) 8.650 57.240 ( 0.000 8.650 0.024) 8.650 57.289 ( 0.000 -10.059 -0.323) 10.064 57.289 ( 0.000 10.059 -0.323) 10.064 60.437 ( 0.000 -0.271 -0.073) 0.281 60.437 ( 0.000 0.271 -0.073) 0.281 60.467 ( 0.000 -0.706 -0.426) 0.825 60.467 ( 0.000 0.706 -0.426) 0.825 ======================= Grid point 82 (35/54) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 6.189 -9.533 -1.497) 11.464 1.574 ( 6.189 9.533 -1.497) 11.464 2.145 ( 0.094 -4.063 -6.105) 7.334 2.145 ( 0.094 4.063 -6.105) 7.334 2.415 ( 6.608 -12.835 -3.510) 14.856 2.415 ( 6.608 12.835 -3.510) 14.856 2.717 ( -1.556 -9.492 5.674) 11.168 2.717 ( -1.556 9.492 5.674) 11.168 3.074 ( 1.232 -1.093 0.095) 1.650 3.074 ( 1.232 1.093 0.095) 1.650 3.215 ( -4.216 -10.928 -0.346) 11.718 3.215 ( -4.216 10.928 -0.346) 11.718 3.574 ( 5.774 -1.263 5.737) 8.237 3.574 ( 5.774 1.263 5.737) 8.237 3.740 ( 1.067 -2.068 -6.797) 7.185 3.740 ( 1.067 2.068 -6.797) 7.185 3.829 ( -2.385 -1.182 -0.884) 2.804 3.829 ( -2.385 1.182 -0.884) 2.804 4.133 ( -4.639 -1.527 -8.844) 10.103 4.133 ( -4.639 1.527 -8.844) 10.103 4.383 ( -3.295 -2.000 0.801) 3.937 4.383 ( -3.295 2.000 0.801) 3.937 4.435 ( -0.185 -2.421 0.244) 2.440 4.435 ( -0.185 2.421 0.244) 2.440 4.523 ( -6.401 -0.923 0.041) 6.467 4.523 ( -6.401 0.923 0.041) 6.467 4.656 ( -1.460 -4.226 2.468) 5.107 4.656 ( -1.460 4.226 2.468) 5.107 4.842 ( 2.422 -3.989 0.178) 4.670 4.842 ( 2.422 3.989 0.178) 4.670 4.933 ( -1.435 -1.668 2.451) 3.294 4.933 ( -1.435 1.668 2.451) 3.294 5.208 ( -6.555 -6.001 0.534) 8.903 5.208 ( -6.555 6.001 0.534) 8.903 5.370 ( 0.604 -1.966 3.184) 3.791 5.370 ( 0.604 1.966 3.184) 3.791 5.506 ( -2.628 -1.028 -2.014) 3.467 5.506 ( -2.628 1.028 -2.014) 3.467 5.827 ( 0.211 -3.501 -1.563) 3.840 5.827 ( 0.211 3.501 -1.563) 3.840 5.952 ( 13.160 -4.087 3.715) 14.272 5.952 ( 13.160 4.087 3.715) 14.272 6.337 ( 5.485 -4.513 9.161) 11.592 6.337 ( 5.485 4.513 9.161) 11.592 6.783 ( -1.321 -0.908 -9.064) 9.204 6.783 ( -1.321 0.908 -9.064) 9.204 7.019 ( -2.959 -1.189 -1.378) 3.474 7.019 ( -2.959 1.189 -1.378) 3.474 8.623 ( 1.112 -1.696 2.302) 3.068 8.623 ( 1.112 1.696 2.302) 3.068 8.737 ( -1.249 -5.018 0.192) 5.174 8.737 ( -1.249 5.018 0.192) 5.174 13.017 ( 0.854 -1.502 -0.617) 1.835 13.017 ( 0.854 1.502 -0.617) 1.835 13.117 ( -1.234 -2.969 0.227) 3.223 13.117 ( -1.234 2.969 0.227) 3.223 14.009 ( 0.455 -1.237 0.022) 1.318 14.009 ( 0.455 1.237 0.022) 1.318 14.041 ( -0.203 -1.611 -0.054) 1.625 14.041 ( -0.203 1.611 -0.054) 1.625 20.207 ( 0.062 -1.116 -0.008) 1.118 20.207 ( 0.062 1.116 -0.008) 1.118 20.221 ( -0.249 -0.229 -0.318) 0.464 20.221 ( -0.249 0.229 -0.318) 0.464 20.727 ( 0.500 -0.177 0.579) 0.785 20.727 ( 0.500 0.177 0.579) 0.785 20.784 ( -0.717 -0.156 0.194) 0.759 20.784 ( -0.717 0.156 0.194) 0.759 21.052 ( 0.387 -0.081 -0.056) 0.399 21.052 ( 0.387 0.081 -0.056) 0.399 21.080 ( -0.205 -0.342 -0.509) 0.647 21.080 ( -0.205 0.342 -0.509) 0.647 22.403 ( 0.317 -0.631 -0.061) 0.709 22.403 ( 0.317 0.631 -0.061) 0.709 22.423 ( -0.092 -1.374 0.113) 1.381 22.423 ( -0.092 1.374 0.113) 1.381 23.657 ( 0.299 -0.277 -0.024) 0.408 23.657 ( 0.299 0.277 -0.024) 0.408 23.668 ( 0.041 -0.086 0.272) 0.289 23.668 ( 0.041 0.086 0.272) 0.289 24.105 ( 0.372 -0.874 -0.354) 1.014 24.105 ( 0.372 0.874 -0.354) 1.014 24.159 ( -0.722 -1.011 0.159) 1.252 24.159 ( -0.722 1.011 0.159) 1.252 24.620 ( 0.618 -0.210 0.113) 0.662 24.620 ( 0.618 0.210 0.113) 0.662 24.684 ( -0.708 -0.309 -0.132) 0.783 24.684 ( -0.708 0.309 -0.132) 0.783 26.167 ( 0.072 -0.246 -0.002) 0.256 26.167 ( 0.072 0.246 -0.002) 0.256 26.174 ( -0.066 -0.190 0.005) 0.202 26.174 ( -0.066 0.190 0.005) 0.202 28.671 ( 0.268 -0.291 0.236) 0.461 28.671 ( 0.268 0.291 0.236) 0.461 28.694 ( -0.219 -0.377 -0.210) 0.484 28.694 ( -0.219 0.377 -0.210) 0.484 46.491 ( 2.727 -3.400 0.476) 4.385 46.491 ( 2.727 3.400 0.476) 4.385 46.637 ( 0.811 -1.469 -0.338) 1.711 46.637 ( 0.811 1.469 -0.338) 1.711 48.683 ( 1.635 -5.459 2.402) 6.185 48.683 ( 1.635 5.459 2.402) 6.185 49.273 ( -10.241 -11.018 -4.966) 15.841 49.273 ( -10.241 11.018 -4.966) 15.841 51.663 ( 0.858 -9.679 -0.579) 9.735 51.663 ( 0.858 9.679 -0.579) 9.735 51.812 ( -2.276 -8.095 3.341) 9.049 51.812 ( -2.276 8.095 3.341) 9.049 57.156 ( -0.230 -10.970 -0.472) 10.982 57.156 ( -0.230 10.970 -0.472) 10.982 57.188 ( 0.412 -8.595 -0.575) 8.624 57.188 ( 0.412 8.595 -0.575) 8.624 57.260 ( 2.315 -8.383 0.820) 8.735 57.260 ( 2.315 8.383 0.820) 8.735 57.319 ( 2.092 -9.242 -0.354) 9.483 57.319 ( 2.092 9.242 -0.354) 9.483 60.444 ( 0.631 -1.105 0.014) 1.272 60.444 ( 0.631 1.105 0.014) 1.272 60.470 ( 0.208 -1.271 -0.285) 1.320 60.470 ( 0.208 1.271 -0.285) 1.320 ======================= Grid point 84 (36/54) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 10.399 -8.798 -2.474) 13.845 1.762 ( 10.399 8.798 -2.474) 13.845 2.002 ( -10.535 -6.450 -4.626) 13.191 2.002 ( -10.535 6.450 -4.626) 13.191 2.662 ( 10.679 -13.121 -0.609) 16.929 2.662 ( 10.679 13.121 -0.609) 16.929 2.736 ( 1.927 -10.302 0.453) 10.490 2.736 ( 1.927 10.302 0.453) 10.490 3.065 ( -0.753 -9.972 -1.908) 10.181 3.065 ( -0.753 9.972 -1.908) 10.181 3.125 ( -3.954 -6.920 -0.577) 7.991 3.125 ( -3.954 6.920 -0.577) 7.991 3.668 ( 1.983 -3.833 1.386) 4.532 3.668 ( 1.983 3.833 1.386) 4.532 3.718 ( -3.488 -2.374 -1.718) 4.555 3.718 ( -3.488 2.374 -1.718) 4.555 3.841 ( 5.141 -5.798 -1.301) 7.858 3.841 ( 5.141 5.798 -1.301) 7.858 3.990 ( -7.773 -2.178 -1.264) 8.170 3.990 ( -7.773 2.178 -1.264) 8.170 4.296 ( -1.938 -2.191 -1.183) 3.156 4.296 ( -1.938 2.191 -1.183) 3.156 4.323 ( -3.957 -1.496 -0.430) 4.252 4.323 ( -3.957 1.496 -0.430) 4.252 4.546 ( 2.707 -2.944 1.882) 4.420 4.546 ( 2.707 2.944 1.882) 4.420 4.609 ( -2.793 -3.445 3.307) 5.532 4.609 ( -2.793 3.445 3.307) 5.532 4.890 ( 1.780 -3.108 -2.518) 4.378 4.890 ( 1.780 3.108 -2.518) 4.378 4.919 ( -0.704 -2.307 -1.777) 2.995 4.919 ( -0.704 2.307 -1.777) 2.995 5.140 ( 2.097 -6.052 3.585) 7.339 5.140 ( 2.097 6.052 3.585) 7.339 5.260 ( -7.229 -3.661 5.779) 9.953 5.260 ( -7.229 3.661 5.779) 9.953 5.611 ( 7.595 -2.803 -2.485) 8.468 5.611 ( 7.595 2.803 -2.485) 8.468 5.761 ( -5.526 -3.253 -1.210) 6.526 5.761 ( -5.526 3.253 -1.210) 6.526 6.225 ( 10.814 -4.929 2.725) 12.192 6.225 ( 10.814 4.929 2.725) 12.192 6.389 ( -2.929 -5.277 3.630) 7.043 6.389 ( -2.929 5.277 3.630) 7.043 6.803 ( 4.151 -2.346 -4.646) 6.657 6.803 ( 4.151 2.346 -4.646) 6.657 6.924 ( -5.526 -2.253 -2.034) 6.305 6.924 ( -5.526 2.253 -2.034) 6.305 8.656 ( 1.884 -3.121 1.536) 3.956 8.656 ( 1.884 3.121 1.536) 3.956 8.700 ( -1.965 -4.282 0.740) 4.769 8.700 ( -1.965 4.282 0.740) 4.769 13.044 ( 1.567 -2.161 -0.343) 2.691 13.044 ( 1.567 2.161 -0.343) 2.691 13.083 ( -1.800 -2.688 -0.023) 3.235 13.083 ( -1.800 2.688 -0.023) 3.235 14.021 ( 0.614 -1.691 -0.015) 1.799 14.021 ( 0.614 1.691 -0.015) 1.799 14.033 ( -0.460 -1.792 -0.038) 1.850 14.033 ( -0.460 1.792 -0.038) 1.850 20.209 ( 0.180 -0.891 -0.090) 0.914 20.209 ( 0.180 0.891 -0.090) 0.914 20.215 ( -0.295 -0.558 -0.205) 0.664 20.215 ( -0.295 0.558 -0.205) 0.664 20.743 ( 0.890 -0.183 0.471) 1.024 20.743 ( 0.890 0.183 0.471) 1.024 20.764 ( -1.019 -0.178 0.328) 1.085 20.764 ( -1.019 0.178 0.328) 1.085 21.063 ( 0.510 -0.138 -0.212) 0.569 21.063 ( 0.510 0.138 -0.212) 0.569 21.073 ( -0.403 -0.239 -0.379) 0.603 21.073 ( -0.403 0.239 -0.379) 0.603 22.412 ( 0.410 -0.878 -0.015) 0.970 22.412 ( 0.410 0.878 -0.015) 0.970 22.419 ( -0.271 -1.149 0.052) 1.181 22.419 ( -0.271 1.149 0.052) 1.181 23.664 ( 0.275 -0.236 0.043) 0.365 23.664 ( 0.275 0.236 0.043) 0.365 23.668 ( -0.063 -0.166 0.156) 0.236 23.668 ( -0.063 0.166 0.156) 0.236 24.118 ( 0.814 -1.033 -0.178) 1.327 24.118 ( 0.814 1.033 -0.178) 1.327 24.139 ( -1.032 -1.075 0.015) 1.491 24.139 ( -1.032 1.075 0.015) 1.491 24.639 ( 1.036 -0.352 0.043) 1.095 24.639 ( 1.036 0.352 0.043) 1.095 24.663 ( -1.090 -0.402 -0.049) 1.163 24.663 ( -1.090 0.402 -0.049) 1.163 26.170 ( 0.114 -0.245 -0.000) 0.270 26.170 ( 0.114 0.245 -0.000) 0.270 26.172 ( -0.111 -0.226 0.002) 0.251 26.172 ( -0.111 0.226 0.002) 0.251 28.678 ( 0.407 -0.337 0.093) 0.536 28.678 ( 0.407 0.337 0.093) 0.536 28.687 ( -0.377 -0.368 -0.076) 0.532 28.687 ( -0.377 0.368 -0.076) 0.532 46.568 ( 3.812 -3.519 -0.196) 5.192 46.568 ( 3.812 3.519 -0.196) 5.192 46.633 ( -1.608 -2.157 -0.629) 2.763 46.633 ( -1.608 2.157 -0.629) 2.763 48.776 ( 7.395 -1.871 1.404) 7.756 48.776 ( 7.395 1.871 1.404) 7.756 49.004 ( -12.658 -6.176 -1.731) 14.190 49.004 ( -12.658 6.176 -1.731) 14.190 51.695 ( 2.066 -9.141 0.125) 9.372 51.695 ( 2.066 9.141 0.125) 9.372 51.751 ( -2.914 -8.431 1.568) 9.057 51.751 ( -2.914 8.431 1.568) 9.057 57.159 ( 0.646 -10.718 -0.642) 10.756 57.159 ( 0.646 10.718 -0.642) 10.756 57.179 ( -0.928 -9.261 -0.893) 9.350 57.179 ( -0.928 9.261 -0.893) 9.350 57.325 ( 2.648 -6.808 0.536) 7.324 57.325 ( 2.648 6.808 0.536) 7.324 57.351 ( 0.364 -7.753 -0.086) 7.762 57.351 ( 0.364 7.753 -0.086) 7.762 60.460 ( 0.737 -1.784 0.112) 1.933 60.460 ( 0.737 1.784 0.112) 1.933 60.471 ( -0.206 -1.832 -0.012) 1.844 60.471 ( -0.206 1.832 -0.012) 1.844 ======================= Grid point 110 (37/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 0.000 20.042) 20.042 1.056 ( 0.000 0.000 22.233) 22.233 1.320 ( 0.000 0.000 -12.935) 12.935 1.469 ( 0.000 0.000 -16.378) 16.378 1.924 ( 0.000 0.000 2.315) 2.315 1.989 ( 0.000 0.000 29.609) 29.609 1.997 ( 0.000 0.000 -4.536) 4.536 2.118 ( 0.000 0.000 9.305) 9.305 2.118 ( 0.000 0.000 -1.047) 1.047 2.566 ( 0.000 0.000 -2.109) 2.109 3.024 ( 0.000 0.000 10.083) 10.083 3.035 ( 0.000 0.000 -21.218) 21.218 3.092 ( 0.000 0.000 -0.359) 0.359 3.173 ( 0.000 0.000 1.533) 1.533 3.195 ( 0.000 0.000 -0.579) 0.579 3.533 ( 0.000 0.000 -20.934) 20.934 3.810 ( 0.000 0.000 2.850) 2.850 3.867 ( 0.000 0.000 -3.361) 3.361 3.982 ( 0.000 0.000 0.554) 0.554 4.011 ( 0.000 0.000 -1.998) 1.998 4.311 ( 0.000 0.000 3.275) 3.275 4.321 ( 0.000 0.000 8.846) 8.846 4.377 ( 0.000 0.000 -2.863) 2.863 4.502 ( 0.000 0.000 -7.860) 7.860 4.823 ( 0.000 0.000 9.301) 9.301 4.950 ( 0.000 0.000 8.078) 8.078 4.960 ( 0.000 0.000 1.178) 1.178 4.992 ( 0.000 0.000 -1.258) 1.258 5.028 ( 0.000 0.000 -9.181) 9.181 5.135 ( 0.000 0.000 -9.118) 9.118 5.177 ( 0.000 0.000 1.317) 1.317 5.216 ( 0.000 0.000 -2.389) 2.389 5.542 ( 0.000 0.000 2.543) 2.543 5.567 ( 0.000 0.000 6.268) 6.268 5.601 ( 0.000 0.000 -2.874) 2.874 5.637 ( 0.000 0.000 -0.948) 0.948 5.714 ( 0.000 0.000 6.360) 6.360 5.735 ( 0.000 0.000 -1.107) 1.107 5.740 ( 0.000 0.000 -1.554) 1.554 5.757 ( 0.000 0.000 5.173) 5.173 5.856 ( 0.000 0.000 -4.122) 4.122 5.891 ( 0.000 0.000 -9.489) 9.489 6.274 ( 0.000 0.000 8.216) 8.216 6.423 ( 0.000 0.000 -5.720) 5.720 6.776 ( 0.000 0.000 5.954) 5.954 6.875 ( 0.000 0.000 -3.367) 3.367 7.092 ( 0.000 0.000 3.382) 3.382 7.134 ( 0.000 0.000 -0.588) 0.588 7.824 ( 0.000 0.000 4.791) 4.791 7.931 ( 0.000 0.000 -4.990) 4.990 8.347 ( 0.000 0.000 9.180) 9.180 8.530 ( 0.000 0.000 -7.679) 7.679 13.052 ( 0.000 0.000 0.220) 0.220 13.056 ( 0.000 0.000 -0.212) 0.212 13.180 ( 0.000 0.000 2.327) 2.327 13.223 ( 0.000 0.000 0.637) 0.637 13.237 ( 0.000 0.000 -0.662) 0.662 13.241 ( 0.000 0.000 -3.220) 3.220 13.426 ( 0.000 0.000 4.279) 4.279 13.516 ( 0.000 0.000 -4.088) 4.088 20.005 ( 0.000 0.000 2.220) 2.220 20.060 ( 0.000 0.000 -2.736) 2.736 20.066 ( 0.000 0.000 1.870) 1.870 20.104 ( 0.000 0.000 -1.629) 1.629 20.922 ( 0.000 0.000 0.063) 0.063 20.924 ( 0.000 0.000 -0.171) 0.171 20.953 ( 0.000 0.000 0.386) 0.386 20.959 ( 0.000 0.000 -0.201) 0.201 20.990 ( 0.000 0.000 0.503) 0.503 20.998 ( 0.000 0.000 -0.298) 0.298 21.010 ( 0.000 0.000 1.015) 1.015 21.032 ( 0.000 0.000 -0.970) 0.970 22.630 ( 0.000 0.000 1.959) 1.959 22.670 ( 0.000 0.000 -1.745) 1.745 22.687 ( 0.000 0.000 1.547) 1.547 22.723 ( 0.000 0.000 -1.758) 1.758 23.631 ( 0.000 0.000 -0.013) 0.013 23.631 ( 0.000 0.000 -0.031) 0.031 23.673 ( 0.000 0.000 0.748) 0.748 23.688 ( 0.000 0.000 -0.686) 0.686 24.060 ( 0.000 0.000 0.500) 0.500 24.070 ( 0.000 0.000 -0.379) 0.379 24.256 ( 0.000 0.000 -0.022) 0.022 24.256 ( 0.000 0.000 -0.042) 0.042 24.577 ( 0.000 0.000 0.170) 0.170 24.582 ( 0.000 0.000 -0.299) 0.299 24.642 ( 0.000 0.000 1.234) 1.234 24.667 ( 0.000 0.000 -1.108) 1.108 26.325 ( 0.000 0.000 0.370) 0.370 26.333 ( 0.000 0.000 -0.404) 0.404 26.353 ( 0.000 0.000 0.130) 0.130 26.356 ( 0.000 0.000 -0.086) 0.086 28.734 ( 0.000 0.000 1.273) 1.273 28.750 ( 0.000 0.000 -0.049) 0.049 28.756 ( 0.000 0.000 0.008) 0.008 28.768 ( 0.000 0.000 -1.164) 1.164 46.349 ( 0.000 0.000 2.312) 2.312 46.405 ( 0.000 0.000 -2.736) 2.736 46.987 ( 0.000 0.000 7.848) 7.848 47.154 ( 0.000 0.000 -7.481) 7.481 48.274 ( 0.000 0.000 5.516) 5.516 48.410 ( 0.000 0.000 -7.148) 7.148 49.282 ( 0.000 0.000 13.676) 13.676 49.573 ( 0.000 0.000 -13.142) 13.142 51.532 ( 0.000 0.000 22.320) 22.320 52.025 ( 0.000 0.000 -23.142) 23.142 52.875 ( 0.000 0.000 5.459) 5.459 53.013 ( 0.000 0.000 -7.135) 7.135 56.821 ( 0.000 0.000 0.311) 0.311 56.827 ( 0.000 0.000 -0.289) 0.289 56.909 ( 0.000 0.000 0.764) 0.764 56.925 ( 0.000 0.000 -0.724) 0.724 57.365 ( 0.000 0.000 0.153) 0.153 57.369 ( 0.000 0.000 -0.241) 0.241 57.418 ( 0.000 0.000 0.695) 0.695 57.424 ( 0.000 0.000 0.069) 0.069 60.418 ( 0.000 0.000 1.235) 1.235 60.458 ( 0.000 0.000 -2.083) 2.083 60.584 ( 0.000 0.000 3.247) 3.247 60.620 ( 0.000 0.000 0.188) 0.188 ======================= Grid point 111 (38/54) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 4.028 0.000 18.910) 19.334 1.132 ( 13.413 0.000 15.912) 20.812 1.429 ( 9.415 0.000 -11.026) 14.499 1.440 ( -2.659 0.000 -11.984) 12.276 1.911 ( -0.871 0.000 0.556) 1.033 1.967 ( -5.924 0.000 11.043) 12.532 1.977 ( -1.679 0.000 -4.955) 5.232 2.117 ( -1.418 0.000 -4.108) 4.346 2.221 ( 11.611 0.000 25.040) 27.602 2.623 ( 6.183 0.000 2.168) 6.552 2.868 ( -7.528 0.000 1.327) 7.644 3.144 ( 6.567 0.000 -21.845) 22.811 3.182 ( 0.709 0.000 1.545) 1.700 3.183 ( 5.699 0.000 7.580) 9.483 3.201 ( 0.472 0.000 -0.333) 0.577 3.554 ( 1.652 0.000 -18.352) 18.426 3.790 ( -2.098 0.000 1.485) 2.571 3.843 ( -2.558 0.000 -4.031) 4.774 3.970 ( -0.883 0.000 0.358) 0.953 3.997 ( -1.179 0.000 -2.043) 2.359 4.321 ( 0.026 0.000 2.549) 2.549 4.344 ( 1.989 0.000 7.801) 8.050 4.372 ( -1.121 0.000 -2.333) 2.589 4.491 ( -1.068 0.000 -5.319) 5.425 4.724 ( -8.766 0.000 2.009) 8.994 4.756 ( -14.937 0.000 -1.015) 14.971 4.859 ( -3.902 0.000 6.054) 7.203 4.964 ( 1.252 0.000 5.499) 5.640 5.002 ( -4.717 0.000 -6.030) 7.656 5.114 ( -1.833 0.000 -8.106) 8.311 5.164 ( -2.277 0.000 2.973) 3.745 5.213 ( 1.364 0.000 -1.846) 2.295 5.427 ( -4.298 0.000 0.992) 4.411 5.457 ( -4.565 0.000 -1.281) 4.742 5.549 ( 0.534 0.000 2.495) 2.552 5.595 ( -0.536 0.000 -1.320) 1.424 5.714 ( 2.151 0.000 4.204) 4.722 5.773 ( 1.322 0.000 3.272) 3.528 5.821 ( -3.094 0.000 -4.206) 5.221 5.851 ( -0.446 0.000 -3.650) 3.677 6.039 ( 13.085 0.000 2.468) 13.315 6.080 ( 10.364 0.000 -0.728) 10.390 6.287 ( 2.916 0.000 4.215) 5.125 6.408 ( -0.479 0.000 -6.478) 6.496 6.832 ( 3.797 0.000 3.582) 5.220 6.888 ( 0.719 0.000 -1.596) 1.750 7.048 ( -2.934 0.000 3.974) 4.940 7.097 ( -2.197 0.000 -0.749) 2.321 7.863 ( 3.406 0.000 5.120) 6.149 7.969 ( 3.005 0.000 -4.259) 5.212 8.323 ( -1.845 0.000 7.741) 7.958 8.490 ( -3.569 0.000 -7.306) 8.131 13.045 ( -0.491 0.000 0.225) 0.540 13.050 ( -0.517 0.000 -0.221) 0.563 13.190 ( 0.900 0.000 2.428) 2.589 13.234 ( 0.845 0.000 0.465) 0.964 13.244 ( 0.550 0.000 -0.486) 0.734 13.245 ( 0.220 0.000 -2.318) 2.328 13.420 ( -0.159 0.000 3.517) 3.521 13.505 ( -1.124 0.000 -4.101) 4.252 20.008 ( 0.263 0.000 2.118) 2.134 20.047 ( -0.741 0.000 0.040) 0.742 20.076 ( 0.531 0.000 -0.755) 0.923 20.101 ( -0.193 0.000 -1.660) 1.671 20.921 ( -0.000 0.000 0.300) 0.300 20.927 ( 0.159 0.000 -0.269) 0.313 20.949 ( -0.332 0.000 0.411) 0.528 20.956 ( -0.282 0.000 -0.268) 0.389 20.991 ( 0.095 0.000 0.548) 0.557 20.999 ( 0.029 0.000 -0.045) 0.054 21.011 ( 0.059 0.000 0.639) 0.642 21.029 ( -0.245 0.000 -0.902) 0.935 22.638 ( 0.615 0.000 1.492) 1.614 22.665 ( -0.284 0.000 -0.465) 0.545 22.697 ( 0.635 0.000 0.323) 0.713 22.723 ( -0.082 0.000 -1.581) 1.583 23.633 ( 0.250 0.000 0.084) 0.264 23.635 ( 0.344 0.000 -0.092) 0.356 23.670 ( -0.222 0.000 0.646) 0.683 23.684 ( -0.387 0.000 -0.620) 0.731 24.061 ( -0.005 0.000 0.412) 0.412 24.067 ( -0.205 0.000 -0.176) 0.270 24.238 ( -0.828 0.000 0.916) 1.235 24.254 ( -0.557 0.000 -0.701) 0.895 24.581 ( 0.388 0.000 0.256) 0.465 24.588 ( 0.458 0.000 -0.306) 0.551 24.638 ( -0.288 0.000 1.054) 1.092 24.661 ( -0.565 0.000 -1.006) 1.154 26.326 ( 0.075 0.000 0.347) 0.355 26.333 ( -0.044 0.000 -0.290) 0.293 26.350 ( -0.225 0.000 0.212) 0.309 26.354 ( -0.174 0.000 -0.145) 0.226 28.735 ( 0.114 0.000 1.126) 1.132 28.751 ( -0.318 0.000 0.192) 0.372 28.755 ( 0.370 0.000 -0.259) 0.452 28.770 ( 0.074 0.000 -1.064) 1.067 46.409 ( 5.293 0.000 2.826) 6.000 46.475 ( 6.203 0.000 -3.171) 6.966 46.925 ( -5.438 0.000 7.303) 9.105 47.081 ( -6.408 0.000 -7.009) 9.497 48.463 ( 12.221 0.000 3.930) 12.837 48.618 ( 17.258 0.000 -11.182) 20.564 49.270 ( -0.665 0.000 12.124) 12.142 49.564 ( -1.171 0.000 -14.578) 14.625 51.561 ( 3.153 0.000 22.296) 22.518 52.048 ( 2.418 0.000 -22.710) 22.839 52.582 ( -23.980 0.000 11.647) 26.658 52.782 ( -16.074 0.000 -8.213) 18.051 56.726 ( -5.073 0.000 0.071) 5.074 56.727 ( -4.991 0.000 -0.031) 4.991 57.013 ( 5.327 0.000 0.318) 5.337 57.020 ( 5.076 0.000 -0.299) 5.085 57.374 ( 0.834 0.000 1.301) 1.545 57.388 ( 1.201 0.000 -0.112) 1.206 57.451 ( 2.299 0.000 0.114) 2.302 57.454 ( 2.137 0.000 -0.093) 2.139 60.415 ( 0.089 0.000 1.744) 1.747 60.455 ( -0.208 0.000 -1.732) 1.744 60.630 ( 3.218 0.000 2.865) 4.308 60.662 ( 2.685 0.000 0.249) 2.696 ======================= Grid point 112 (39/54) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 6.186 0.000 10.404) 12.103 1.351 ( -5.385 0.000 -1.070) 5.490 1.443 ( 14.048 0.000 13.615) 19.563 1.655 ( 4.616 0.000 -1.315) 4.800 1.800 ( -3.505 0.000 3.731) 5.120 1.904 ( 0.469 0.000 -3.277) 3.310 1.933 ( -2.013 0.000 -5.238) 5.612 1.982 ( -9.863 0.000 -8.532) 13.041 2.489 ( 10.221 0.000 15.289) 18.391 2.679 ( -7.417 0.000 1.625) 7.593 2.918 ( 16.566 0.000 9.600) 19.147 3.192 ( -5.289 0.000 -5.804) 7.852 3.199 ( 0.752 0.000 1.260) 1.467 3.208 ( 0.019 0.000 0.434) 0.435 3.393 ( 13.000 0.000 -2.265) 13.195 3.619 ( 4.713 0.000 -12.641) 13.491 3.673 ( -9.629 0.000 -2.825) 10.034 3.755 ( -5.106 0.000 -9.132) 10.462 3.956 ( -0.106 0.000 -0.547) 0.557 3.969 ( -1.130 0.000 -1.644) 1.995 4.306 ( -0.457 0.000 0.663) 0.805 4.322 ( -2.260 0.000 -0.989) 2.467 4.398 ( 2.715 0.000 4.853) 5.560 4.454 ( -2.220 0.000 0.081) 2.222 4.459 ( -7.831 0.000 0.152) 7.832 4.496 ( -9.259 0.000 -3.123) 9.772 4.928 ( 7.461 0.000 3.446) 8.218 4.964 ( 1.706 0.000 -0.114) 1.709 5.005 ( 2.370 0.000 -0.059) 2.371 5.062 ( -2.709 0.000 -5.054) 5.734 5.067 ( -4.962 0.000 3.850) 6.280 5.128 ( -7.708 0.000 -1.699) 7.893 5.484 ( 6.934 0.000 1.073) 7.017 5.516 ( 8.360 0.000 -1.301) 8.461 5.564 ( 0.773 0.000 2.108) 2.245 5.580 ( -0.726 0.000 0.895) 1.153 5.653 ( -7.128 0.000 3.207) 7.816 5.714 ( -7.395 0.000 -2.243) 7.727 5.806 ( 1.518 0.000 0.146) 1.525 5.835 ( -1.035 0.000 -2.235) 2.463 6.150 ( 2.029 0.000 4.137) 4.608 6.194 ( -0.049 0.000 0.301) 0.305 6.408 ( 4.759 0.000 -1.928) 5.134 6.440 ( 1.962 0.000 -4.608) 5.008 6.879 ( 0.407 0.000 1.603) 1.654 6.887 ( -0.539 0.000 1.037) 1.169 7.032 ( 1.581 0.000 2.769) 3.189 7.065 ( -1.058 0.000 -0.318) 1.105 7.956 ( 4.452 0.000 5.125) 6.789 8.017 ( -0.042 0.000 0.733) 0.734 8.304 ( 1.366 0.000 0.979) 1.680 8.388 ( -5.161 0.000 -5.546) 7.576 13.036 ( -0.176 0.000 0.102) 0.204 13.039 ( -0.372 0.000 -0.116) 0.390 13.216 ( 1.341 0.000 2.177) 2.557 13.241 ( -0.732 0.000 0.385) 0.827 13.251 ( 0.552 0.000 0.155) 0.573 13.254 ( 0.235 0.000 -0.159) 0.284 13.431 ( 1.262 0.000 0.104) 1.266 13.469 ( -1.924 0.000 -2.971) 3.540 20.017 ( 0.515 0.000 1.775) 1.848 20.030 ( -0.701 0.000 1.114) 1.317 20.087 ( 0.437 0.000 -1.449) 1.513 20.095 ( -0.339 0.000 -1.665) 1.700 20.924 ( 0.259 0.000 0.362) 0.445 20.929 ( -0.071 0.000 -0.067) 0.098 20.943 ( -0.022 0.000 0.157) 0.159 20.948 ( -0.380 0.000 -0.269) 0.466 20.994 ( 0.172 0.000 0.623) 0.647 20.998 ( -0.143 0.000 0.521) 0.540 21.015 ( 0.305 0.000 -0.230) 0.382 21.022 ( -0.372 0.000 -0.690) 0.784 22.651 ( 0.491 0.000 0.938) 1.059 22.659 ( -0.295 0.000 0.414) 0.509 22.710 ( 0.528 0.000 -0.537) 0.753 22.719 ( -0.278 0.000 -1.138) 1.171 23.640 ( 0.323 0.000 0.196) 0.377 23.643 ( 0.190 0.000 0.005) 0.190 23.666 ( 0.001 0.000 0.209) 0.209 23.673 ( -0.522 0.000 -0.392) 0.653 24.060 ( 0.015 0.000 0.402) 0.402 24.063 ( -0.192 0.000 0.152) 0.245 24.229 ( 0.078 0.000 0.473) 0.480 24.239 ( -0.692 0.000 -0.433) 0.817 24.592 ( 0.494 0.000 0.368) 0.616 24.597 ( 0.176 0.000 -0.005) 0.176 24.634 ( 0.090 0.000 0.286) 0.300 24.645 ( -0.764 0.000 -0.652) 1.004 26.328 ( 0.127 0.000 0.262) 0.291 26.331 ( -0.129 0.000 0.043) 0.136 26.347 ( 0.018 0.000 0.003) 0.018 26.350 ( -0.168 0.000 -0.166) 0.236 28.739 ( 0.245 0.000 0.875) 0.909 28.745 ( -0.283 0.000 0.559) 0.626 28.763 ( 0.329 0.000 -0.589) 0.675 28.769 ( -0.185 0.000 -0.870) 0.889 46.567 ( 8.627 0.000 4.180) 9.587 46.660 ( 10.011 0.000 -4.264) 10.881 46.765 ( -8.601 0.000 5.828) 10.390 46.892 ( -10.254 0.000 -5.789) 11.776 48.734 ( 11.321 0.000 8.219) 13.990 48.878 ( 1.279 0.000 -0.716) 1.466 49.325 ( 7.447 0.000 -6.242) 9.716 49.495 ( -5.735 0.000 -16.552) 17.518 51.703 ( 10.642 0.000 21.902) 24.350 52.050 ( -20.608 0.000 19.696) 28.507 52.160 ( 7.648 0.000 -20.892) 22.248 52.419 ( -15.295 0.000 -15.879) 22.047 56.646 ( -1.931 0.000 0.043) 1.932 56.647 ( -1.999 0.000 -0.035) 2.000 57.099 ( 2.167 0.000 0.120) 2.171 57.101 ( 1.972 0.000 -0.075) 1.974 57.396 ( 0.953 0.000 1.899) 2.124 57.406 ( 0.212 0.000 1.031) 1.053 57.488 ( 0.998 0.000 -0.137) 1.007 57.491 ( 0.829 0.000 -0.338) 0.895 60.428 ( 0.932 0.000 1.638) 1.884 60.446 ( -0.634 0.000 0.020) 0.634 60.689 ( 1.763 0.000 2.121) 2.758 60.702 ( 0.669 0.000 1.080) 1.270 ======================= Grid point 115 (40/54) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 7.427 18.020) 19.491 1.233 ( 0.000 10.533 14.133) 17.626 1.419 ( 0.000 12.978 -7.657) 15.068 1.679 ( 0.000 17.318 -16.399) 23.850 2.067 ( 0.000 5.469 12.308) 13.468 2.088 ( 0.000 14.139 6.371) 15.508 2.094 ( 0.000 -1.154 -1.127) 1.613 2.158 ( 0.000 12.052 -0.691) 12.072 2.231 ( 0.000 14.604 14.442) 20.539 2.542 ( 0.000 1.444 4.028) 4.279 2.904 ( 0.000 -6.867 4.302) 8.103 3.053 ( 0.000 2.675 -23.931) 24.080 3.094 ( 0.000 0.462 2.524) 2.566 3.221 ( 0.000 1.262 -3.714) 3.923 3.297 ( 0.000 6.982 3.015) 7.605 3.539 ( 0.000 -0.041 -16.338) 16.338 3.731 ( 0.000 -5.233 4.673) 7.016 3.846 ( 0.000 -0.849 -6.519) 6.574 3.999 ( 0.000 0.131 0.464) 0.482 4.013 ( 0.000 -0.360 -0.885) 0.956 4.286 ( 0.000 0.332 8.364) 8.371 4.422 ( 0.000 6.516 3.891) 7.590 4.442 ( 0.000 4.898 -4.732) 6.811 4.522 ( 0.000 1.761 -6.503) 6.737 4.816 ( 0.000 -1.214 8.892) 8.974 4.843 ( 0.000 -6.018 6.375) 8.767 4.955 ( 0.000 -3.243 -3.212) 4.564 4.995 ( 0.000 -1.825 -1.091) 2.126 5.027 ( 0.000 1.110 -6.506) 6.600 5.060 ( 0.000 -5.212 -3.810) 6.456 5.163 ( 0.000 -1.482 1.289) 1.965 5.219 ( 0.000 -1.218 -3.853) 4.041 5.457 ( 0.000 -7.697 2.479) 8.087 5.516 ( 0.000 -7.529 -2.125) 7.823 5.541 ( 0.000 -4.715 2.819) 5.493 5.560 ( 0.000 -7.986 1.183) 8.073 5.680 ( 0.000 0.563 2.053) 2.129 5.701 ( 0.000 -0.469 1.198) 1.287 5.730 ( 0.000 1.006 4.246) 4.364 5.845 ( 0.000 2.834 -4.390) 5.225 5.894 ( 0.000 2.577 -0.115) 2.580 5.979 ( 0.000 7.941 -8.059) 11.314 6.301 ( 0.000 2.424 9.567) 9.870 6.478 ( 0.000 4.209 -6.886) 8.070 6.736 ( 0.000 -3.876 6.258) 7.361 6.848 ( 0.000 -2.814 -4.186) 5.044 6.995 ( 0.000 -10.154 3.174) 10.638 7.021 ( 0.000 -5.393 0.703) 5.439 7.943 ( 0.000 10.591 5.035) 11.727 8.051 ( 0.000 9.815 -4.660) 10.865 8.392 ( 0.000 4.328 8.735) 9.748 8.565 ( 0.000 3.348 -7.206) 7.946 13.112 ( 0.000 3.418 1.304) 3.659 13.134 ( 0.000 6.925 -0.732) 6.963 13.178 ( 0.000 2.213 1.156) 2.497 13.219 ( 0.000 -0.662 -2.582) 2.665 13.294 ( 0.000 4.173 0.719) 4.235 13.296 ( 0.000 6.120 0.190) 6.123 13.423 ( 0.000 1.400 3.005) 3.315 13.496 ( 0.000 -1.533 -3.562) 3.878 20.025 ( 0.000 1.831 2.005) 2.715 20.074 ( 0.000 1.423 -2.524) 2.898 20.093 ( 0.000 2.442 0.938) 2.616 20.119 ( 0.000 1.507 -1.305) 1.994 20.902 ( 0.000 -1.871 0.287) 1.893 20.906 ( 0.000 -1.743 -0.107) 1.746 20.939 ( 0.000 -1.335 0.392) 1.391 20.945 ( 0.000 -1.377 -0.150) 1.385 20.999 ( 0.000 0.833 0.287) 0.881 21.005 ( 0.000 0.599 -0.272) 0.658 21.015 ( 0.000 0.499 0.982) 1.101 21.038 ( 0.000 0.502 -1.027) 1.143 22.608 ( 0.000 -2.198 1.858) 2.878 22.646 ( 0.000 -2.431 -1.638) 2.931 22.663 ( 0.000 -2.442 1.538) 2.886 22.698 ( 0.000 -2.472 -1.739) 3.023 23.633 ( 0.000 0.189 0.038) 0.193 23.635 ( 0.000 0.335 -0.179) 0.380 23.673 ( 0.000 0.016 0.694) 0.694 23.687 ( 0.000 -0.126 -0.608) 0.621 24.061 ( 0.000 0.070 0.468) 0.473 24.070 ( 0.000 0.056 -0.384) 0.388 24.238 ( 0.000 -1.472 0.736) 1.646 24.247 ( 0.000 -0.829 -0.250) 0.866 24.590 ( 0.000 0.660 -0.033) 0.661 24.593 ( 0.000 1.172 -0.476) 1.265 24.649 ( 0.000 0.719 0.900) 1.152 24.671 ( 0.000 0.312 -0.998) 1.046 26.310 ( 0.000 -1.465 0.362) 1.509 26.318 ( 0.000 -1.483 -0.397) 1.535 26.334 ( 0.000 -1.818 0.292) 1.841 26.339 ( 0.000 -1.677 -0.137) 1.683 28.728 ( 0.000 -0.591 1.192) 1.331 28.742 ( 0.000 -0.738 -0.067) 0.741 28.748 ( 0.000 -0.808 0.154) 0.823 28.761 ( 0.000 -0.682 -1.131) 1.321 46.580 ( 0.000 15.587 1.387) 15.649 46.679 ( 0.000 25.171 -9.494) 26.902 47.178 ( 0.000 18.891 4.484) 19.416 47.302 ( 0.000 13.545 -6.083) 14.848 48.135 ( 0.000 -12.961 5.021) 13.900 48.258 ( 0.000 -14.862 -6.452) 16.202 49.169 ( 0.000 -9.755 10.662) 14.451 49.403 ( 0.000 -15.931 -10.639) 19.157 51.506 ( 0.000 -2.074 20.983) 21.086 51.970 ( 0.000 -5.012 -21.656) 22.228 52.719 ( 0.000 -14.266 1.709) 14.368 52.723 ( 0.000 -24.538 2.960) 24.716 56.863 ( 0.000 2.126 -0.008) 2.126 56.868 ( 0.000 2.586 -0.480) 2.630 56.899 ( 0.000 0.668 0.216) 0.702 56.901 ( 0.000 -1.323 0.139) 1.330 57.382 ( 0.000 -0.079 0.664) 0.668 57.396 ( 0.000 0.687 -0.654) 0.949 57.478 ( 0.000 7.278 1.807) 7.499 57.509 ( 0.000 8.273 -1.106) 8.347 60.418 ( 0.000 -0.026 1.164) 1.164 60.452 ( 0.000 -0.473 -1.564) 1.634 60.556 ( 0.000 -2.301 2.810) 3.632 60.593 ( 0.000 -2.539 -0.104) 2.541 ======================= Grid point 116 (41/54) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 12.143 7.389 14.803) 20.523 1.333 ( 8.131 13.474 12.748) 20.253 1.500 ( 7.038 11.305 -7.562) 15.314 1.685 ( -0.708 20.364 -12.599) 23.957 1.990 ( -5.279 2.329 3.761) 6.887 2.024 ( -5.210 2.930 3.321) 6.838 2.096 ( -1.111 12.380 0.899) 12.462 2.139 ( -0.999 7.161 -1.665) 7.420 2.338 ( 7.906 11.557 18.054) 22.847 2.604 ( 6.521 1.571 7.304) 9.917 2.782 ( -7.337 -5.326 -0.589) 9.086 3.112 ( 3.825 -1.371 -19.495) 19.914 3.198 ( 6.148 1.939 3.539) 7.355 3.254 ( 3.987 3.113 -0.685) 5.105 3.298 ( 0.313 6.729 1.135) 6.831 3.539 ( 0.081 -1.665 -14.199) 14.297 3.734 ( 0.076 -3.174 0.970) 3.320 3.815 ( -2.815 -0.245 -5.911) 6.552 4.017 ( 0.796 1.407 0.282) 1.641 4.027 ( 0.653 1.981 -0.626) 2.178 4.273 ( -1.536 -0.886 5.974) 6.232 4.387 ( -4.391 1.727 -3.701) 5.997 4.452 ( 0.967 5.872 2.437) 6.431 4.511 ( -1.387 1.951 -2.270) 3.299 4.670 ( -8.973 -4.505 2.011) 10.239 4.720 ( -13.196 -3.385 -2.389) 13.831 4.866 ( -0.325 0.222 6.938) 6.949 4.959 ( -1.304 -0.871 3.290) 3.645 5.004 ( -4.608 -0.839 -4.394) 6.422 5.057 ( -1.802 -3.442 -4.586) 6.011 5.156 ( -1.534 -2.249 0.074) 2.723 5.182 ( 2.509 -3.089 -2.054) 4.479 5.411 ( -7.044 -6.678 2.091) 9.929 5.434 ( -1.526 -3.860 2.898) 5.062 5.441 ( -6.074 -3.980 -0.840) 7.311 5.507 ( -2.010 -4.554 -3.464) 6.065 5.711 ( 6.298 -3.674 1.588) 7.462 5.720 ( 5.347 -2.473 2.235) 6.301 5.842 ( -0.840 0.483 0.798) 1.255 5.929 ( -3.344 7.290 -4.592) 9.242 6.059 ( 11.018 1.442 2.836) 11.468 6.089 ( 8.971 0.716 0.401) 9.009 6.331 ( 3.947 3.755 2.988) 6.213 6.453 ( -0.960 3.784 -7.181) 8.174 6.790 ( 3.460 -4.339 3.880) 6.771 6.859 ( 0.371 -2.926 -2.217) 3.690 6.971 ( -1.035 -6.856 3.483) 7.759 7.009 ( -0.582 -5.713 0.060) 5.742 7.969 ( 2.307 9.604 4.994) 11.068 8.066 ( 1.321 8.475 -3.413) 9.231 8.375 ( -1.224 4.973 7.076) 8.735 8.529 ( -3.154 3.780 -6.740) 8.346 13.114 ( 0.170 4.725 1.099) 4.854 13.131 ( -0.261 7.634 -0.553) 7.658 13.172 ( -0.287 0.762 1.372) 1.595 13.207 ( -0.815 -1.236 -1.439) 2.065 13.315 ( 1.496 6.235 0.291) 6.418 13.319 ( 1.908 4.258 -0.297) 4.675 13.414 ( -0.686 1.335 2.631) 3.029 13.483 ( -1.260 -1.627 -3.513) 4.072 20.028 ( 0.260 1.843 1.934) 2.683 20.067 ( -0.627 1.840 -0.894) 2.140 20.095 ( 0.193 1.826 -0.269) 1.855 20.117 ( -0.244 1.454 -1.393) 2.028 20.902 ( 0.112 -1.745 0.398) 1.793 20.909 ( 0.227 -1.703 -0.193) 1.729 20.934 ( -0.412 -1.397 0.451) 1.525 20.942 ( -0.333 -1.423 -0.213) 1.476 21.000 ( 0.087 0.826 0.331) 0.894 21.006 ( 0.042 0.627 -0.021) 0.628 21.016 ( 0.083 0.522 0.596) 0.796 21.035 ( -0.245 0.504 -0.935) 1.090 22.615 ( 0.559 -2.289 1.487) 2.786 22.641 ( -0.269 -2.397 -0.429) 2.450 22.672 ( 0.618 -2.482 0.361) 2.583 22.698 ( -0.089 -2.481 -1.565) 2.935 23.635 ( 0.256 0.211 0.101) 0.346 23.638 ( 0.312 0.297 -0.167) 0.462 23.670 ( -0.199 0.043 0.601) 0.634 23.683 ( -0.344 -0.076 -0.554) 0.656 24.061 ( -0.022 0.031 0.436) 0.438 24.068 ( -0.161 0.116 -0.242) 0.313 24.228 ( -0.547 -0.941 1.004) 1.480 24.244 ( -0.414 -0.899 -0.596) 1.155 24.592 ( 0.210 0.717 0.039) 0.748 24.596 ( 0.299 0.886 -0.343) 0.996 24.644 ( -0.373 0.573 0.906) 1.135 24.664 ( -0.538 0.346 -0.941) 1.137 26.311 ( 0.069 -1.470 0.338) 1.510 26.318 ( -0.056 -1.497 -0.268) 1.522 26.332 ( -0.118 -1.688 0.249) 1.710 26.337 ( -0.139 -1.637 -0.172) 1.652 28.729 ( 0.123 -0.571 1.067) 1.217 28.744 ( -0.237 -0.700 0.154) 0.755 28.747 ( 0.342 -0.774 -0.128) 0.856 28.762 ( 0.033 -0.775 -1.031) 1.291 46.642 ( 5.580 14.947 -0.168) 15.956 46.675 ( 1.127 21.464 -3.901) 21.845 47.102 ( -5.997 17.023 6.148) 19.067 47.241 ( -5.927 15.522 -6.678) 17.906 48.307 ( 11.219 -14.967 3.231) 18.982 48.434 ( 14.722 -17.818 -8.948) 24.785 49.139 ( -2.228 -11.685 8.958) 14.891 49.374 ( -2.732 -17.901 -11.913) 21.676 51.535 ( 2.881 -2.160 20.986) 21.293 51.991 ( 2.190 -5.163 -21.019) 21.755 52.390 ( -21.378 -16.868 14.306) 30.761 52.616 ( -12.051 -14.078 -8.168) 20.252 56.812 ( -2.523 6.904 0.441) 7.363 56.821 ( -2.298 6.921 -0.377) 7.302 56.954 ( 2.997 -4.129 0.265) 5.109 56.967 ( 3.065 -3.344 -0.917) 4.629 57.420 ( 3.060 0.845 1.168) 3.383 57.442 ( 3.291 1.426 -0.839) 3.684 57.488 ( 0.743 6.631 1.587) 6.858 57.515 ( 0.546 7.234 -0.923) 7.313 60.412 ( -0.047 -0.214 1.569) 1.584 60.447 ( -0.311 -0.670 -1.393) 1.577 60.604 ( 3.341 -2.389 2.601) 4.861 60.634 ( 2.747 -2.503 0.062) 3.717 ======================= Grid point 117 (42/54) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 9.642 13.744 11.675) 20.449 1.528 ( 9.869 11.746 9.155) 17.866 1.607 ( -5.767 21.044 0.115) 21.820 1.687 ( 4.854 4.161 -3.076) 7.095 1.842 ( -4.466 5.562 4.988) 8.704 1.941 ( -4.011 0.876 -4.354) 5.984 2.050 ( -1.755 11.099 -5.149) 12.361 2.077 ( -3.536 11.068 -5.589) 12.893 2.498 ( 6.142 2.068 9.207) 11.259 2.629 ( -6.238 -2.736 0.266) 6.817 2.880 ( 16.400 -0.183 10.347) 19.392 3.158 ( -5.653 -1.782 -4.494) 7.439 3.244 ( 2.798 1.233 1.139) 3.263 3.312 ( -1.061 2.774 -0.396) 2.996 3.421 ( 10.343 5.709 0.965) 11.853 3.588 ( 3.278 -1.906 -11.145) 11.772 3.685 ( -4.867 3.470 -3.651) 7.004 3.741 ( -3.260 0.468 -8.520) 9.135 4.015 ( -0.542 2.032 -0.068) 2.104 4.022 ( -1.058 3.459 -0.545) 3.658 4.224 ( -1.555 -3.237 1.363) 3.841 4.263 ( -5.066 -2.725 -2.312) 6.200 4.408 ( -4.626 -2.815 0.703) 5.461 4.439 ( -6.598 -3.213 -2.131) 7.642 4.500 ( 1.314 5.336 3.594) 6.567 4.559 ( -3.722 4.279 -1.515) 5.870 4.923 ( 5.131 -0.247 3.350) 6.133 4.949 ( 0.379 -1.857 -0.099) 1.898 4.976 ( 1.307 -3.150 1.154) 3.601 5.031 ( 0.933 -1.522 -2.830) 3.346 5.079 ( -5.063 -0.098 3.322) 6.056 5.150 ( -6.325 1.476 -2.755) 7.055 5.342 ( 1.192 -12.090 1.711) 12.268 5.369 ( -0.846 -10.711 -0.458) 10.754 5.468 ( 3.273 -5.674 1.113) 6.644 5.506 ( 0.564 -6.168 -1.736) 6.433 5.752 ( -1.195 5.091 3.532) 6.310 5.787 ( -2.497 1.947 1.378) 3.453 5.825 ( 2.308 1.090 -1.516) 2.969 5.874 ( -1.570 5.150 -4.086) 6.759 6.142 ( 2.042 -0.845 4.811) 5.295 6.196 ( -0.595 0.068 0.374) 0.706 6.446 ( 4.551 3.455 -2.225) 6.132 6.482 ( 1.696 3.965 -4.852) 6.491 6.831 ( 0.576 -4.761 1.977) 5.187 6.847 ( -0.979 -3.830 0.813) 4.036 6.987 ( 1.799 -3.917 1.874) 4.700 7.008 ( 0.017 -4.797 0.027) 4.797 8.036 ( 3.332 7.542 4.603) 9.443 8.085 ( -0.486 6.550 1.034) 6.649 8.368 ( 1.398 5.901 0.944) 6.138 8.440 ( -4.438 4.953 -4.813) 8.209 13.118 ( 0.187 7.334 0.467) 7.352 13.124 ( -0.363 8.337 -0.134) 8.346 13.174 ( 0.494 -1.881 1.402) 2.398 13.189 ( -0.808 -2.301 0.313) 2.459 13.349 ( 1.416 7.227 0.413) 7.376 13.361 ( 1.069 7.503 -0.542) 7.598 13.404 ( 0.416 -2.095 0.463) 2.186 13.443 ( -2.228 -2.046 -2.715) 4.064 20.036 ( 0.545 1.887 1.608) 2.538 20.051 ( -0.751 1.958 0.799) 2.244 20.101 ( 0.356 1.411 -1.270) 1.931 20.110 ( -0.367 1.370 -1.491) 2.057 20.907 ( 0.345 -1.573 0.393) 1.657 20.913 ( 0.025 -1.530 -0.109) 1.534 20.926 ( -0.118 -1.587 0.341) 1.627 20.932 ( -0.470 -1.549 -0.175) 1.628 21.003 ( 0.140 0.796 0.431) 0.916 21.006 ( -0.078 0.722 0.406) 0.832 21.020 ( 0.296 0.524 -0.217) 0.640 21.028 ( -0.366 0.512 -0.687) 0.932 22.627 ( 0.483 -2.358 0.961) 2.592 22.635 ( -0.291 -2.373 0.433) 2.430 22.685 ( 0.528 -2.504 -0.515) 2.610 22.694 ( -0.285 -2.497 -1.124) 2.753 23.642 ( 0.317 0.217 0.200) 0.434 23.645 ( 0.162 0.234 -0.008) 0.284 23.667 ( 0.011 0.089 0.189) 0.209 23.673 ( -0.471 0.036 -0.361) 0.594 24.061 ( 0.058 0.081 0.391) 0.403 24.064 ( -0.205 0.137 0.085) 0.261 24.223 ( 0.123 -0.658 0.453) 0.808 24.232 ( -0.603 -0.709 -0.388) 1.009 24.599 ( 0.351 0.604 0.253) 0.743 24.603 ( 0.119 0.588 -0.050) 0.602 24.639 ( 0.077 0.453 0.300) 0.549 24.649 ( -0.728 0.401 -0.606) 1.029 26.313 ( 0.118 -1.485 0.251) 1.511 26.316 ( -0.124 -1.502 0.049) 1.508 26.332 ( 0.044 -1.568 -0.004) 1.568 26.334 ( -0.145 -1.574 -0.168) 1.589 28.733 ( 0.237 -0.573 0.839) 1.043 28.739 ( -0.256 -0.606 0.544) 0.853 28.755 ( 0.325 -0.806 -0.545) 1.026 28.760 ( -0.181 -0.811 -0.832) 1.176 46.760 ( 6.275 16.432 1.867) 17.688 46.810 ( 8.425 12.684 -2.443) 15.422 46.947 ( -6.735 18.459 4.617) 20.185 47.057 ( -10.006 16.622 -5.324) 20.118 48.556 ( 10.414 -17.182 6.705) 21.181 48.676 ( 2.530 -19.701 -1.453) 19.916 49.135 ( 3.971 -17.662 -4.468) 18.646 49.275 ( -6.350 -20.841 -13.641) 25.705 51.654 ( 8.559 -4.082 21.145) 23.174 51.931 ( -16.417 -9.846 19.574) 27.379 52.099 ( 6.211 -5.489 -18.985) 20.716 52.319 ( -12.976 -8.893 -15.982) 22.425 56.774 ( -0.827 10.558 0.337) 10.596 56.779 ( -1.252 10.739 -0.175) 10.813 57.004 ( 1.351 -6.568 -0.067) 6.706 57.010 ( 0.836 -6.033 -0.655) 6.126 57.480 ( 1.741 1.950 1.155) 2.858 57.495 ( 0.380 1.349 0.200) 1.415 57.510 ( 1.722 7.197 0.688) 7.432 57.527 ( 0.235 6.586 -0.538) 6.612 60.422 ( 0.791 -0.504 1.440) 1.718 60.438 ( -0.578 -0.724 0.043) 0.928 60.665 ( 1.866 -2.252 1.897) 3.486 60.677 ( 0.808 -2.305 0.900) 2.603 ======================= Grid point 120 (43/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 12.962 12.564) 18.052 1.388 ( 0.000 7.132 3.514) 7.951 1.731 ( 0.000 15.127 0.855) 15.151 1.872 ( 0.000 -2.787 -2.373) 3.660 2.079 ( 0.000 4.259 -6.658) 7.904 2.103 ( 0.000 0.015 -4.432) 4.432 2.448 ( 0.000 16.559 5.281) 17.381 2.518 ( 0.000 25.923 8.854) 27.394 2.591 ( 0.000 18.032 9.187) 20.238 2.746 ( 0.000 17.516 1.347) 17.567 2.832 ( 0.000 1.145 6.876) 6.970 3.126 ( 0.000 3.512 1.134) 3.691 3.155 ( 0.000 7.796 -21.515) 22.884 3.225 ( 0.000 -0.249 -5.328) 5.334 3.373 ( 0.000 0.790 2.504) 2.626 3.512 ( 0.000 -2.229 -10.923) 11.148 3.687 ( 0.000 1.375 7.675) 7.797 3.845 ( 0.000 -0.704 -5.620) 5.664 3.976 ( 0.000 -2.068 -0.330) 2.094 4.002 ( 0.000 0.167 -3.544) 3.548 4.303 ( 0.000 1.020 6.502) 6.581 4.462 ( 0.000 -2.326 -7.496) 7.848 4.525 ( 0.000 2.433 2.937) 3.814 4.584 ( 0.000 2.217 -2.729) 3.516 4.746 ( 0.000 -5.243 7.664) 9.286 4.759 ( 0.000 -1.879 7.080) 7.325 4.921 ( 0.000 -4.460 -2.795) 5.263 4.929 ( 0.000 1.405 -4.293) 4.517 4.965 ( 0.000 -5.164 0.324) 5.174 5.043 ( 0.000 -0.891 -7.787) 7.838 5.109 ( 0.000 -3.470 1.772) 3.897 5.153 ( 0.000 -4.548 -1.747) 4.872 5.285 ( 0.000 -8.843 0.703) 8.871 5.330 ( 0.000 -10.520 -3.020) 10.944 5.423 ( 0.000 -5.419 1.127) 5.535 5.432 ( 0.000 -4.566 0.635) 4.610 5.681 ( 0.000 -0.720 2.042) 2.166 5.703 ( 0.000 -0.118 0.744) 0.753 5.762 ( 0.000 1.252 5.064) 5.217 5.874 ( 0.000 -0.272 -5.722) 5.729 5.938 ( 0.000 1.916 6.448) 6.727 6.137 ( 0.000 7.393 -8.605) 11.344 6.349 ( 0.000 2.147 11.160) 11.365 6.487 ( 0.000 -5.069 -0.007) 5.069 6.670 ( 0.000 -1.737 -0.399) 1.783 6.763 ( 0.000 -5.374 -6.327) 8.301 6.874 ( 0.000 -0.843 4.287) 4.369 6.951 ( 0.000 -1.168 -2.202) 2.493 8.179 ( 0.000 12.616 4.033) 13.245 8.254 ( 0.000 10.430 -2.541) 10.735 8.500 ( 0.000 6.224 7.597) 9.820 8.648 ( 0.000 4.676 -6.021) 7.623 13.097 ( 0.000 -2.460 1.962) 3.147 13.150 ( 0.000 -3.075 -2.841) 4.187 13.245 ( 0.000 -1.223 3.835) 4.025 13.320 ( 0.000 2.610 -3.067) 4.028 13.408 ( 0.000 11.507 0.296) 11.511 13.415 ( 0.000 8.893 -0.348) 8.900 13.548 ( 0.000 9.296 0.294) 9.300 13.557 ( 0.000 11.056 -0.518) 11.068 20.071 ( 0.000 2.795 1.626) 3.233 20.111 ( 0.000 2.229 -2.042) 3.023 20.144 ( 0.000 2.515 0.150) 2.520 20.156 ( 0.000 2.006 -0.752) 2.142 20.856 ( 0.000 -2.709 0.520) 2.758 20.862 ( 0.000 -2.684 0.002) 2.684 20.903 ( 0.000 -2.283 0.316) 2.305 20.908 ( 0.000 -2.336 -0.143) 2.340 21.018 ( 0.000 1.014 -0.033) 1.014 21.019 ( 0.000 0.728 -0.090) 0.733 21.028 ( 0.000 0.759 0.847) 1.137 21.049 ( 0.000 0.628 -1.039) 1.214 22.549 ( 0.000 -3.607 1.545) 3.924 22.581 ( 0.000 -4.048 -1.354) 4.268 22.597 ( 0.000 -4.071 1.496) 4.337 22.632 ( 0.000 -4.202 -1.645) 4.512 23.637 ( 0.000 0.297 0.124) 0.322 23.642 ( 0.000 0.361 -0.292) 0.464 23.673 ( 0.000 0.018 0.554) 0.555 23.683 ( 0.000 -0.214 -0.397) 0.451 24.064 ( 0.000 0.290 0.414) 0.505 24.074 ( 0.000 0.333 -0.494) 0.596 24.210 ( 0.000 -1.295 1.156) 1.736 24.227 ( 0.000 -1.146 -0.534) 1.264 24.603 ( 0.000 0.585 0.238) 0.631 24.610 ( 0.000 0.510 -0.381) 0.637 24.665 ( 0.000 0.793 0.261) 0.835 24.678 ( 0.000 0.396 -0.741) 0.841 26.271 ( 0.000 -2.426 0.329) 2.448 26.279 ( 0.000 -2.481 -0.367) 2.508 26.289 ( 0.000 -2.710 0.368) 2.734 26.295 ( 0.000 -2.707 -0.194) 2.714 28.712 ( 0.000 -0.926 0.986) 1.353 28.723 ( 0.000 -1.127 -0.057) 1.129 28.729 ( 0.000 -1.077 0.234) 1.102 28.743 ( 0.000 -1.129 -1.017) 1.520 46.875 ( 0.000 10.832 5.565) 12.178 47.055 ( 0.000 10.246 -10.787) 14.878 47.443 ( 0.000 -10.368 1.916) 10.543 47.493 ( 0.000 -0.077 -4.133) 4.134 47.958 ( 0.000 -5.700 0.095) 5.701 47.986 ( 0.000 8.327 -2.484) 8.690 49.036 ( 0.000 -0.182 -1.857) 1.866 49.070 ( 0.000 -14.055 -3.284) 14.433 51.476 ( 0.000 -0.537 17.535) 17.543 51.863 ( 0.000 -5.294 -18.056) 18.816 52.260 ( 0.000 -19.822 12.152) 23.250 52.409 ( 0.000 -15.605 -3.508) 15.995 56.834 ( 0.000 -1.676 1.999) 2.609 56.866 ( 0.000 -0.001 -1.197) 1.197 56.951 ( 0.000 3.530 0.815) 3.622 56.968 ( 0.000 3.518 -0.798) 3.607 57.377 ( 0.000 -0.380 0.625) 0.731 57.403 ( 0.000 0.105 -1.692) 1.695 57.616 ( 0.000 4.998 2.153) 5.442 57.650 ( 0.000 4.458 -0.973) 4.563 60.420 ( 0.000 0.267 1.028) 1.062 60.445 ( 0.000 -0.138 -0.804) 0.816 60.511 ( 0.000 -2.106 1.148) 2.399 60.535 ( 0.000 -3.054 -0.360) 3.075 ======================= Grid point 121 (44/54) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 10.639 11.348 8.963) 17.953 1.481 ( 8.089 4.609 2.251) 9.578 1.811 ( 4.797 13.385 4.448) 14.898 1.927 ( 2.724 -3.158 3.125) 5.211 2.037 ( -0.700 9.488 -10.123) 13.892 2.071 ( -2.091 3.771 -6.101) 7.471 2.402 ( -3.322 16.829 4.640) 17.771 2.449 ( -5.237 20.954 4.012) 21.968 2.604 ( 0.570 14.150 6.039) 15.396 2.730 ( -5.021 4.661 8.465) 10.890 2.823 ( 4.943 16.786 -0.374) 17.503 3.095 ( -1.068 -0.179 -10.406) 10.462 3.251 ( 3.123 2.535 1.086) 4.166 3.308 ( 5.907 4.336 -1.035) 7.400 3.369 ( 2.665 1.022 -4.167) 5.051 3.511 ( 0.786 -0.338 -9.868) 9.905 3.718 ( 2.616 1.320 4.510) 5.378 3.847 ( -0.141 2.080 -5.703) 6.072 4.010 ( 1.244 -1.527 0.415) 2.012 4.041 ( 2.221 -0.143 -2.643) 3.455 4.290 ( -1.400 1.956 4.519) 5.120 4.387 ( -5.626 -1.734 -3.873) 7.047 4.528 ( -5.362 1.307 3.751) 6.673 4.571 ( -0.737 2.712 -0.056) 2.811 4.593 ( -9.207 -2.715 -0.311) 9.604 4.650 ( -9.383 -2.754 -3.852) 10.510 4.834 ( 2.439 -4.200 6.286) 7.943 4.900 ( -3.355 -5.807 -0.987) 6.779 4.956 ( -1.816 -2.077 0.866) 2.892 5.007 ( -3.732 -3.686 -1.544) 5.468 5.087 ( -1.995 -2.711 0.872) 3.477 5.143 ( 0.999 -0.018 -3.166) 3.320 5.223 ( -1.877 -9.620 -0.277) 9.806 5.254 ( -3.960 -10.093 -1.082) 10.896 5.436 ( -6.416 -0.803 1.387) 6.614 5.477 ( -6.093 0.221 -1.997) 6.415 5.627 ( 5.903 -4.385 -0.163) 7.355 5.641 ( 8.339 -5.212 -1.056) 9.890 5.873 ( 1.031 1.791 7.585) 7.861 6.030 ( 2.452 1.238 -4.746) 5.483 6.063 ( 5.842 -1.410 4.183) 7.322 6.136 ( 4.090 5.349 2.192) 7.081 6.402 ( 4.991 2.960 0.176) 5.805 6.500 ( 1.486 -0.681 -5.678) 5.908 6.673 ( 1.209 -5.823 4.237) 7.302 6.776 ( 0.069 -4.910 -2.829) 5.668 6.887 ( 1.373 -0.618 1.714) 2.281 6.936 ( -1.102 -1.663 -1.415) 2.446 8.189 ( 0.968 12.044 3.914) 12.701 8.253 ( 0.034 10.131 -1.497) 10.241 8.495 ( -0.252 6.710 5.882) 8.927 8.621 ( -2.287 5.188 -5.438) 7.856 13.102 ( 0.444 -2.531 2.011) 3.263 13.146 ( -0.384 -2.915 -1.510) 3.305 13.258 ( 1.045 -1.278 2.266) 2.804 13.318 ( -0.227 2.865 -2.804) 4.015 13.396 ( -0.790 11.032 0.442) 11.069 13.408 ( -0.674 7.507 -0.687) 7.568 13.554 ( 0.446 10.405 0.318) 10.420 13.562 ( 0.330 11.414 -0.420) 11.427 20.074 ( 0.294 2.809 1.560) 3.227 20.110 ( -0.219 2.401 -1.467) 2.823 20.139 ( -0.341 2.384 0.033) 2.408 20.152 ( -0.305 1.993 -0.899) 2.207 20.858 ( 0.250 -2.639 0.527) 2.703 20.865 ( 0.303 -2.650 -0.061) 2.668 20.897 ( -0.506 -2.323 0.403) 2.411 20.904 ( -0.418 -2.389 -0.161) 2.431 21.019 ( 0.075 0.948 0.075) 0.954 21.021 ( 0.142 0.865 -0.074) 0.879 21.029 ( 0.077 0.746 0.585) 0.951 21.047 ( -0.229 0.648 -0.931) 1.157 22.555 ( 0.436 -3.701 1.332) 3.957 22.577 ( -0.215 -3.969 -0.337) 3.989 22.605 ( 0.556 -4.159 0.456) 4.221 22.631 ( -0.106 -4.214 -1.482) 4.468 23.641 ( 0.279 0.313 0.161) 0.449 23.645 ( 0.278 0.358 -0.245) 0.515 23.671 ( -0.143 0.058 0.484) 0.508 23.681 ( -0.234 -0.138 -0.377) 0.465 24.064 ( -0.012 0.302 0.442) 0.535 24.073 ( -0.097 0.389 -0.413) 0.576 24.207 ( -0.213 -1.156 1.023) 1.558 24.224 ( -0.354 -1.175 -0.593) 1.363 24.605 ( 0.211 0.585 0.246) 0.669 24.612 ( 0.223 0.621 -0.425) 0.785 24.658 ( -0.569 0.702 0.539) 1.052 24.672 ( -0.501 0.416 -0.773) 1.010 26.272 ( 0.059 -2.432 0.304) 2.451 26.278 ( -0.067 -2.484 -0.219) 2.494 26.289 ( 0.011 -2.650 0.232) 2.661 26.294 ( -0.078 -2.672 -0.197) 2.681 28.714 ( 0.134 -0.917 0.908) 1.298 28.726 ( 0.035 -1.099 -0.137) 1.108 28.728 ( 0.107 -1.109 0.259) 1.144 28.742 ( -0.048 -1.186 -0.937) 1.512 46.922 ( 4.247 9.820 2.731) 11.042 47.013 ( -1.644 8.929 -5.513) 10.622 47.400 ( -2.300 3.968 5.783) 7.381 47.549 ( -0.047 4.102 -8.673) 9.594 48.017 ( 5.604 -6.958 1.478) 9.055 48.066 ( 7.113 -8.028 -2.971) 11.130 48.942 ( -7.544 -4.546 -1.290) 8.902 48.992 ( -6.600 -16.640 -4.415) 18.438 51.501 ( 2.389 -0.763 17.442) 17.621 51.877 ( 1.014 -5.934 -16.002) 17.097 52.071 ( -12.813 -13.242 14.884) 23.687 52.329 ( -7.626 -13.953 -9.085) 18.314 56.841 ( 0.930 -1.695 2.798) 3.401 56.895 ( 1.387 -1.368 -2.319) 3.029 56.953 ( 0.453 5.143 1.491) 5.374 56.991 ( 1.274 4.074 -1.790) 4.629 57.425 ( 3.860 -0.091 0.919) 3.968 57.457 ( 3.870 0.311 -1.934) 4.338 57.618 ( 0.240 4.525 1.704) 4.841 57.644 ( -0.433 4.243 -0.787) 4.337 60.410 ( -0.301 0.071 1.171) 1.211 60.435 ( -0.554 -0.409 -0.868) 1.108 60.552 ( 3.028 -2.601 1.656) 4.322 60.577 ( 2.698 -3.051 -0.288) 4.083 ======================= Grid point 122 (45/54) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 8.855 5.287 7.562) 12.788 1.682 ( 7.636 1.696 -0.970) 7.883 1.786 ( -4.312 5.125 8.060) 10.480 1.879 ( -6.175 3.379 -0.207) 7.043 2.127 ( 6.567 20.824 -1.060) 21.861 2.133 ( 5.794 13.605 -5.651) 15.830 2.285 ( -5.768 12.877 -1.606) 14.201 2.327 ( -6.855 15.697 -2.336) 17.287 2.626 ( 1.824 9.992 3.610) 10.779 2.660 ( -1.279 8.157 3.361) 8.914 2.975 ( 8.140 9.046 1.552) 12.268 3.091 ( -0.943 -4.093 -9.417) 10.311 3.286 ( -0.026 2.277 6.855) 7.223 3.300 ( -1.838 1.562 7.529) 7.906 3.548 ( 7.650 4.891 -8.405) 12.373 3.581 ( 4.346 1.297 -9.731) 10.735 3.770 ( 1.450 2.478 2.335) 3.701 3.824 ( -2.583 7.529 0.003) 7.960 3.984 ( -1.930 -4.357 -1.471) 4.987 4.024 ( -3.823 -1.396 -3.986) 5.697 4.253 ( -0.842 4.686 0.634) 4.803 4.262 ( -3.389 1.045 -0.661) 3.607 4.348 ( -6.388 -3.027 0.682) 7.102 4.370 ( -6.255 -2.376 -0.883) 6.749 4.573 ( 1.155 1.842 1.663) 2.737 4.607 ( -1.327 0.294 -1.215) 1.823 4.877 ( 1.147 -6.649 2.047) 7.051 4.887 ( 0.025 -4.590 0.266) 4.598 4.924 ( 1.659 -0.236 1.512) 2.257 4.976 ( 2.075 -4.302 -1.538) 5.018 5.057 ( -4.673 -5.053 4.045) 7.983 5.116 ( 1.664 -7.541 4.073) 8.730 5.148 ( -5.335 -7.673 -3.943) 10.143 5.187 ( -3.134 0.110 -1.050) 3.307 5.367 ( 1.520 -4.235 -0.653) 4.546 5.407 ( -1.594 -3.222 -3.271) 4.860 5.749 ( 4.505 -3.038 2.408) 5.943 5.805 ( 4.015 -2.290 -0.218) 4.627 5.852 ( -0.244 1.595 2.484) 2.962 5.975 ( -5.902 2.589 -6.342) 9.042 6.126 ( 3.728 0.225 7.736) 8.590 6.205 ( -1.368 1.577 1.848) 2.788 6.513 ( 4.620 2.481 -3.494) 6.302 6.561 ( 1.303 2.556 -6.467) 7.075 6.717 ( 2.497 -5.464 4.450) 7.476 6.762 ( -1.245 -3.930 0.856) 4.210 6.914 ( 0.639 -3.219 -0.352) 3.300 6.921 ( -0.092 -3.286 -0.476) 3.321 8.220 ( 1.678 10.606 3.465) 11.283 8.249 ( -0.717 9.648 1.356) 9.769 8.504 ( 1.409 7.315 1.070) 7.526 8.558 ( -3.138 6.452 -3.391) 7.936 13.116 ( 0.782 -2.679 1.783) 3.311 13.134 ( -0.734 -2.778 0.618) 2.939 13.285 ( 1.293 -0.302 -0.459) 1.405 13.308 ( -0.735 2.175 -2.092) 3.106 13.384 ( -0.182 9.309 0.232) 9.314 13.391 ( -0.717 6.914 -0.465) 6.966 13.563 ( 0.360 11.746 0.168) 11.753 13.567 ( 0.052 11.933 -0.163) 11.935 20.084 ( 0.589 2.827 1.247) 3.145 20.099 ( -0.688 2.757 0.298) 2.857 20.137 ( 0.179 2.049 -0.895) 2.243 20.144 ( -0.396 1.973 -1.116) 2.301 20.867 ( 0.480 -2.504 0.445) 2.588 20.873 ( 0.225 -2.503 -0.112) 2.515 20.886 ( -0.332 -2.488 0.477) 2.555 20.892 ( -0.590 -2.503 -0.080) 2.573 21.021 ( 0.117 0.976 0.200) 1.003 21.023 ( -0.004 0.958 0.202) 0.979 21.033 ( 0.283 0.703 -0.158) 0.774 21.040 ( -0.350 0.682 -0.649) 1.004 22.565 ( 0.433 -3.821 0.934) 3.957 22.572 ( -0.257 -3.890 0.455) 3.925 22.617 ( 0.513 -4.230 -0.437) 4.283 22.626 ( -0.300 -4.236 -1.056) 4.376 23.648 ( 0.315 0.328 0.209) 0.500 23.651 ( 0.121 0.331 -0.024) 0.353 23.669 ( 0.025 0.114 0.149) 0.189 23.674 ( -0.345 0.027 -0.270) 0.439 24.065 ( 0.139 0.391 0.339) 0.536 24.069 ( -0.218 0.441 -0.063) 0.496 24.205 ( 0.159 -1.086 0.398) 1.167 24.213 ( -0.498 -1.137 -0.336) 1.286 24.611 ( 0.360 0.667 0.243) 0.796 24.617 ( 0.024 0.747 -0.230) 0.782 24.649 ( -0.023 0.479 0.328) 0.581 24.658 ( -0.697 0.420 -0.512) 0.961 26.273 ( 0.100 -2.447 0.220) 2.459 26.276 ( -0.109 -2.470 0.048) 2.472 26.290 ( 0.074 -2.596 -0.018) 2.598 26.292 ( -0.101 -2.615 -0.161) 2.622 28.718 ( 0.218 -0.927 0.730) 1.200 28.723 ( -0.207 -0.962 0.480) 1.095 28.734 ( 0.309 -1.238 -0.438) 1.349 28.740 ( -0.196 -1.239 -0.735) 1.454 47.027 ( 2.606 7.059 -0.119) 7.526 47.031 ( 3.444 5.956 -0.470) 6.896 47.357 ( 0.041 16.165 3.520) 16.544 47.454 ( -6.913 16.265 -5.340) 18.463 48.175 ( 7.112 -15.260 2.673) 17.046 48.223 ( 4.273 -19.428 -1.169) 19.926 48.783 ( -4.329 -13.192 -2.986) 14.202 48.826 ( -6.911 -19.736 -5.866) 21.718 51.587 ( 5.663 -2.076 17.638) 18.641 51.761 ( -10.169 -6.215 16.864) 20.650 51.978 ( 4.483 -6.337 -15.159) 17.031 52.131 ( -8.923 -9.388 -14.392) 19.362 56.870 ( 1.544 -1.907 2.855) 3.764 56.899 ( -0.892 -2.470 1.087) 2.842 56.976 ( 1.471 6.874 -1.519) 7.192 57.001 ( -0.477 5.575 -2.696) 6.211 57.503 ( 2.401 0.809 0.257) 2.546 57.519 ( 1.053 1.125 -1.214) 1.961 57.631 ( 0.806 3.551 0.738) 3.715 57.640 ( 0.001 3.363 -0.138) 3.366 60.413 ( 0.504 -0.215 0.999) 1.139 60.425 ( -0.461 -0.466 0.039) 0.656 60.611 ( 1.808 -3.093 1.321) 3.818 60.621 ( 0.917 -3.221 0.483) 3.383 ======================= Grid point 125 (46/54) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 4.214 4.539) 6.194 1.515 ( 0.000 5.150 -2.502) 5.726 1.831 ( 0.000 4.400 13.711) 14.400 1.935 ( 0.000 3.587 5.662) 6.703 2.127 ( 0.000 5.476 -12.545) 13.688 2.148 ( 0.000 1.667 -10.927) 11.053 2.736 ( 0.000 11.363 1.356) 11.444 2.789 ( 0.000 4.178 -0.491) 4.207 2.873 ( 0.000 9.587 10.423) 14.161 3.041 ( 0.000 7.619 -3.134) 8.238 3.088 ( 0.000 17.596 8.050) 19.350 3.249 ( 0.000 9.631 3.122) 10.124 3.254 ( 0.000 5.293 -5.141) 7.379 3.362 ( 0.000 12.531 -8.674) 15.240 3.408 ( 0.000 5.654 1.151) 5.770 3.495 ( 0.000 1.599 -7.434) 7.604 3.741 ( 0.000 2.604 4.644) 5.324 3.777 ( 0.000 -5.325 0.614) 5.360 3.944 ( 0.000 -0.362 -1.245) 1.297 4.037 ( 0.000 2.357 -8.201) 8.533 4.326 ( 0.000 1.230 2.276) 2.587 4.412 ( 0.000 -2.024 -5.033) 5.425 4.497 ( 0.000 -4.208 1.448) 4.450 4.524 ( 0.000 -6.556 -0.829) 6.608 4.680 ( 0.000 -2.150 4.141) 4.666 4.730 ( 0.000 -2.290 2.333) 3.269 4.850 ( 0.000 -5.315 1.651) 5.565 4.857 ( 0.000 -3.009 0.553) 3.060 4.964 ( 0.000 -0.749 -0.827) 1.116 4.986 ( 0.000 -1.077 -3.372) 3.540 5.051 ( 0.000 -5.803 -0.180) 5.806 5.056 ( 0.000 -4.585 0.359) 4.599 5.170 ( 0.000 -3.230 -2.316) 3.974 5.184 ( 0.000 -0.743 -3.233) 3.317 5.349 ( 0.000 -1.819 1.927) 2.650 5.388 ( 0.000 -0.067 -1.881) 1.882 5.655 ( 0.000 -1.743 1.993) 2.648 5.689 ( 0.000 -1.269 -0.901) 1.556 5.741 ( 0.000 -3.825 2.524) 4.582 5.824 ( 0.000 -4.719 -5.634) 7.350 5.976 ( 0.000 2.066 13.955) 14.107 6.241 ( 0.000 1.715 2.738) 3.231 6.360 ( 0.000 -4.900 -4.846) 6.891 6.380 ( 0.000 0.947 8.449) 8.502 6.644 ( 0.000 -0.883 -0.497) 1.013 6.671 ( 0.000 -3.423 -7.137) 7.915 6.921 ( 0.000 3.702 -0.772) 3.781 6.959 ( 0.000 1.328 -2.632) 2.948 8.413 ( 0.000 11.054 2.235) 11.278 8.446 ( 0.000 8.996 -0.494) 9.009 8.616 ( 0.000 5.325 6.085) 8.086 8.731 ( 0.000 3.503 -4.513) 5.713 13.046 ( 0.000 -2.583 1.219) 2.856 13.083 ( 0.000 -3.497 -2.130) 4.094 13.190 ( 0.000 -3.178 3.698) 4.876 13.265 ( 0.000 -4.496 -3.289) 5.571 13.672 ( 0.000 13.824 0.037) 13.824 13.673 ( 0.000 14.082 -0.074) 14.082 13.772 ( 0.000 11.761 0.905) 11.796 13.790 ( 0.000 11.714 -0.811) 11.742 20.128 ( 0.000 2.880 1.127) 3.093 20.156 ( 0.000 2.252 -1.457) 2.683 20.187 ( 0.000 1.781 0.008) 1.781 20.191 ( 0.000 1.549 -0.378) 1.595 20.800 ( 0.000 -2.815 0.588) 2.876 20.806 ( 0.000 -2.893 0.138) 2.897 20.855 ( 0.000 -2.531 0.219) 2.540 20.859 ( 0.000 -2.606 -0.119) 2.609 21.033 ( 0.000 0.703 0.107) 0.711 21.037 ( 0.000 0.809 -0.092) 0.814 21.044 ( 0.000 0.835 0.417) 0.933 21.061 ( 0.000 0.515 -0.953) 1.083 22.476 ( 0.000 -3.610 1.020) 3.751 22.497 ( 0.000 -4.202 -0.941) 4.307 22.514 ( 0.000 -4.180 1.350) 4.393 22.544 ( 0.000 -4.553 -1.366) 4.753 23.644 ( 0.000 0.323 0.168) 0.364 23.648 ( 0.000 0.293 -0.265) 0.395 23.673 ( 0.000 0.002 0.383) 0.383 23.679 ( 0.000 -0.231 -0.131) 0.266 24.072 ( 0.000 0.535 0.336) 0.632 24.082 ( 0.000 0.516 -0.638) 0.821 24.188 ( 0.000 -0.971 1.013) 1.404 24.205 ( 0.000 -1.148 -0.572) 1.283 24.611 ( 0.000 0.293 0.249) 0.385 24.616 ( 0.000 0.142 -0.125) 0.189 24.678 ( 0.000 0.479 0.070) 0.484 24.685 ( 0.000 0.275 -0.488) 0.560 26.221 ( 0.000 -2.477 0.258) 2.490 26.227 ( 0.000 -2.583 -0.294) 2.600 26.235 ( 0.000 -2.664 0.276) 2.678 26.240 ( 0.000 -2.762 -0.173) 2.768 28.694 ( 0.000 -0.896 0.753) 1.171 28.701 ( 0.000 -1.092 0.032) 1.093 28.708 ( 0.000 -0.967 0.127) 0.975 28.719 ( 0.000 -1.180 -0.826) 1.440 46.901 ( 0.000 -8.144 4.292) 9.206 47.017 ( 0.000 -12.069 -6.184) 13.561 47.034 ( 0.000 -23.476 3.929) 23.803 47.117 ( 0.000 -26.053 -3.807) 26.330 48.174 ( 0.000 18.888 6.690) 20.038 48.325 ( 0.000 19.598 -7.479) 20.976 48.971 ( 0.000 3.768 5.866) 6.972 49.159 ( 0.000 9.280 -13.080) 16.038 51.495 ( 0.000 2.501 12.575) 12.821 51.774 ( 0.000 -3.752 -13.069) 13.597 51.987 ( 0.000 -8.495 11.640) 14.411 52.150 ( 0.000 -10.551 -4.518) 11.478 56.849 ( 0.000 3.661 2.902) 4.672 56.900 ( 0.000 3.753 -1.824) 4.173 57.016 ( 0.000 3.426 0.457) 3.456 57.025 ( 0.000 2.906 -0.477) 2.945 57.354 ( 0.000 -2.332 0.530) 2.391 57.386 ( 0.000 -2.336 -2.251) 3.244 57.632 ( 0.000 -3.671 1.537) 3.979 57.652 ( 0.000 -4.282 -0.286) 4.292 60.429 ( 0.000 0.622 0.896) 1.091 60.446 ( 0.000 0.151 -0.210) 0.259 60.476 ( 0.000 -1.402 -0.412) 1.462 60.483 ( 0.000 -2.184 -0.338) 2.210 ======================= Grid point 126 (47/54) ======================= q-point: ( 0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 5.306 -0.895 2.939) 6.131 1.569 ( 6.001 6.297 -1.420) 8.814 1.938 ( 6.052 7.477 9.659) 13.632 1.948 ( -0.635 0.531 3.681) 3.773 2.130 ( 1.322 1.352 -6.978) 7.230 2.211 ( 7.925 10.377 -10.491) 16.749 2.633 ( -6.625 7.017 6.133) 11.434 2.801 ( -2.981 8.279 8.115) 11.970 2.815 ( -0.020 10.978 -6.414) 12.715 2.933 ( -6.545 11.945 -3.518) 14.067 3.096 ( -3.148 3.375 1.758) 4.938 3.196 ( -2.302 10.843 -4.603) 12.002 3.303 ( 3.282 8.019 7.077) 11.187 3.429 ( 1.758 9.423 1.930) 9.777 3.476 ( 8.174 9.196 -6.365) 13.853 3.537 ( 3.821 3.390 -5.805) 7.732 3.739 ( 0.879 -0.235 6.164) 6.231 3.844 ( 3.728 -2.305 -3.119) 5.379 3.980 ( 1.191 -1.001 -0.806) 1.752 4.037 ( 0.136 -0.488 -6.114) 6.135 4.333 ( 0.044 2.403 1.920) 3.076 4.369 ( -3.507 0.646 -0.883) 3.673 4.507 ( -4.493 -2.977 2.871) 6.106 4.543 ( -6.307 -2.644 -0.942) 6.903 4.560 ( -1.054 -3.085 -0.937) 3.392 4.603 ( -9.925 -4.067 -3.052) 11.151 4.735 ( -0.842 -4.315 3.103) 5.381 4.775 ( -3.630 -5.220 -1.273) 6.485 4.932 ( -1.641 -0.492 1.409) 2.218 4.949 ( -2.961 -1.029 1.298) 3.393 5.015 ( -3.910 -8.489 2.328) 9.632 5.066 ( -2.821 -8.071 -2.457) 8.896 5.097 ( -2.564 2.437 3.196) 4.767 5.210 ( 2.632 3.581 -6.765) 8.094 5.429 ( -4.165 0.327 3.109) 5.208 5.472 ( -3.899 -1.967 -0.760) 4.433 5.531 ( 9.438 -5.346 -2.361) 11.101 5.548 ( -0.653 -3.359 -2.367) 4.161 5.870 ( 1.748 -2.606 6.224) 6.971 5.977 ( 4.065 -5.263 -4.078) 7.801 6.056 ( 5.609 1.047 12.027) 13.312 6.245 ( 2.290 4.126 4.136) 6.275 6.410 ( 4.708 -5.383 -5.398) 8.960 6.436 ( 3.645 -0.248 -0.935) 3.771 6.624 ( 0.638 -0.170 1.496) 1.635 6.698 ( 1.050 -2.640 -2.938) 4.087 6.915 ( -0.825 2.351 -1.766) 3.054 6.932 ( -2.160 0.858 -1.852) 2.972 8.416 ( 0.261 10.769 2.314) 11.018 8.445 ( -0.080 9.159 -0.005) 9.160 8.617 ( 0.191 5.416 4.743) 7.202 8.714 ( -1.529 3.866 -3.944) 5.731 13.051 ( 0.483 -2.488 1.376) 2.884 13.086 ( 0.138 -3.035 -1.551) 3.411 13.190 ( 0.129 -3.893 2.764) 4.776 13.255 ( -0.874 -4.807 -3.071) 5.771 13.663 ( -0.625 14.110 0.137) 14.125 13.666 ( -0.573 14.304 -0.133) 14.316 13.783 ( 0.837 11.657 0.651) 11.706 13.797 ( 0.471 11.642 -0.617) 11.668 20.131 ( 0.269 2.838 1.072) 3.045 20.156 ( -0.018 2.282 -1.191) 2.574 20.181 ( -0.418 1.853 0.038) 1.900 20.188 ( -0.280 1.591 -0.509) 1.693 20.804 ( 0.334 -2.774 0.567) 2.851 20.810 ( 0.362 -2.866 0.087) 2.890 20.848 ( -0.571 -2.554 0.308) 2.635 20.853 ( -0.498 -2.654 -0.109) 2.702 21.035 ( 0.183 0.751 0.088) 0.778 21.038 ( 0.152 0.822 -0.174) 0.854 21.044 ( 0.030 0.810 0.367) 0.890 21.059 ( -0.187 0.548 -0.843) 1.022 22.480 ( 0.324 -3.667 0.938) 3.799 22.496 ( -0.082 -4.041 -0.265) 4.051 22.519 ( 0.413 -4.352 0.597) 4.412 22.542 ( -0.124 -4.563 -1.236) 4.729 23.647 ( 0.300 0.337 0.187) 0.489 23.652 ( 0.281 0.304 -0.225) 0.471 23.672 ( -0.086 0.034 0.342) 0.354 23.678 ( -0.113 -0.167 -0.150) 0.252 24.073 ( 0.080 0.623 0.377) 0.733 24.083 ( 0.019 0.627 -0.580) 0.854 24.185 ( -0.245 -1.081 0.872) 1.411 24.200 ( -0.422 -1.236 -0.559) 1.421 24.614 ( 0.301 0.371 0.289) 0.558 24.620 ( 0.409 0.255 -0.254) 0.545 24.669 ( -0.660 0.485 0.301) 0.873 24.679 ( -0.519 0.243 -0.553) 0.797 26.222 ( 0.053 -2.477 0.238) 2.489 26.227 ( -0.044 -2.552 -0.183) 2.559 26.235 ( 0.032 -2.682 0.172) 2.688 26.239 ( -0.043 -2.752 -0.170) 2.758 28.696 ( 0.132 -0.899 0.700) 1.147 28.704 ( 0.208 -1.124 -0.094) 1.147 28.707 ( -0.092 -0.963 0.216) 0.992 28.718 ( -0.095 -1.198 -0.758) 1.421 46.907 ( 0.707 -11.639 1.924) 11.818 46.954 ( -0.937 -12.144 -1.870) 12.322 47.138 ( 5.074 -21.380 1.630) 22.034 47.195 ( 5.355 -26.397 -3.273) 27.133 48.203 ( 2.643 19.137 5.140) 19.990 48.319 ( -0.476 20.045 -5.720) 20.851 48.859 ( -9.024 3.520 4.937) 10.872 49.016 ( -11.723 9.008 -10.674) 18.235 51.515 ( 1.871 2.150 12.419) 12.742 51.778 ( -0.160 -3.947 -9.171) 9.986 51.897 ( -5.971 -5.164 9.372) 12.254 52.099 ( -4.743 -9.517 -7.260) 12.875 56.850 ( 0.330 3.181 2.861) 4.291 56.905 ( -0.108 2.787 -2.228) 3.569 57.037 ( 1.968 3.933 0.936) 4.496 57.057 ( 2.019 3.217 -0.841) 3.890 57.402 ( 3.857 -2.720 0.606) 4.758 57.435 ( 3.742 -3.012 -2.325) 5.337 57.628 ( -0.230 -3.705 1.435) 3.980 57.649 ( -0.343 -3.846 -0.557) 3.901 60.416 ( -0.389 0.567 0.786) 1.044 60.433 ( -0.643 0.238 -0.598) 0.910 60.506 ( 2.366 -2.075 0.830) 3.255 60.524 ( 2.248 -2.340 -0.536) 3.288 ======================= Grid point 127 (48/54) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 6.211 -0.263 4.551) 7.704 1.715 ( 3.442 2.161 -2.219) 4.631 1.875 ( -2.800 2.531 0.807) 3.860 1.934 ( -3.998 2.414 -3.538) 5.859 2.298 ( 9.053 7.401 1.742) 11.823 2.417 ( 4.827 10.501 -8.556) 14.380 2.512 ( -0.081 10.223 11.340) 15.268 2.683 ( -8.145 15.102 0.468) 17.165 2.826 ( 2.058 8.020 -1.114) 8.355 2.884 ( 0.840 11.079 -2.439) 11.375 3.044 ( -0.099 0.912 -4.143) 4.243 3.114 ( -4.272 2.923 -7.723) 9.298 3.389 ( 3.671 11.071 7.713) 13.983 3.439 ( -0.562 9.213 3.336) 9.814 3.617 ( 3.107 3.181 -2.263) 4.990 3.645 ( 3.126 4.256 -4.294) 6.806 3.768 ( 2.877 -1.602 6.069) 6.905 3.890 ( -4.408 -3.726 -2.938) 6.476 3.941 ( 1.144 3.332 -1.729) 3.924 4.013 ( -3.003 -0.611 -5.629) 6.409 4.268 ( -2.118 0.369 2.022) 2.951 4.298 ( -4.130 -1.024 -0.157) 4.258 4.354 ( -3.046 3.752 0.857) 4.909 4.362 ( -3.720 0.078 0.324) 3.735 4.563 ( 0.500 -2.704 0.899) 2.894 4.585 ( -1.116 -1.090 -0.511) 1.642 4.738 ( 2.520 -6.533 2.114) 7.314 4.780 ( 1.407 -5.206 -1.314) 5.551 4.879 ( -2.154 -5.795 0.946) 6.254 4.887 ( -1.933 -4.309 -0.074) 4.724 4.932 ( -1.296 -1.804 1.167) 2.509 4.981 ( -4.207 -5.230 -2.281) 7.090 5.127 ( 3.694 1.990 4.850) 6.414 5.225 ( -3.171 2.522 -2.251) 4.635 5.314 ( -0.622 -1.459 0.402) 1.636 5.371 ( -4.081 -0.943 -3.326) 5.348 5.671 ( 6.752 -4.557 2.400) 8.492 5.733 ( 7.507 -4.719 -2.755) 9.285 5.824 ( -3.553 -3.731 4.177) 6.633 5.932 ( -6.493 -5.555 -4.495) 9.655 6.178 ( 5.603 3.979 8.653) 11.050 6.274 ( -1.983 4.734 3.207) 6.052 6.506 ( 3.073 -4.524 -1.565) 5.689 6.520 ( 2.590 -3.545 -6.626) 7.949 6.689 ( 3.915 1.113 3.154) 5.150 6.732 ( 1.796 0.794 -0.616) 2.058 6.862 ( -2.169 -1.739 -0.796) 2.892 6.889 ( -2.467 -0.600 -2.887) 3.844 8.426 ( 0.666 10.065 2.287) 10.343 8.440 ( -0.445 9.436 1.361) 9.544 8.632 ( 1.251 5.406 1.245) 5.687 8.671 ( -2.125 4.736 -2.108) 5.603 13.066 ( 0.823 -2.263 1.376) 2.773 13.082 ( -0.526 -2.284 0.271) 2.359 13.202 ( 0.991 -5.110 0.052) 5.206 13.229 ( -1.377 -5.292 -2.148) 5.875 13.653 ( -0.219 14.531 0.094) 14.532 13.654 ( -0.362 14.595 -0.071) 14.600 13.800 ( 0.549 11.546 0.211) 11.561 13.804 ( 0.113 11.547 -0.230) 11.550 20.140 ( 0.514 2.711 0.829) 2.882 20.152 ( -0.467 2.498 0.030) 2.541 20.176 ( 0.035 1.804 -0.557) 1.889 20.181 ( -0.348 1.688 -0.734) 1.874 20.815 ( 0.599 -2.670 0.465) 2.775 20.820 ( 0.470 -2.739 -0.026) 2.779 20.834 ( -0.590 -2.686 0.467) 2.789 20.839 ( -0.701 -2.760 -0.011) 2.848 21.039 ( 0.170 0.859 0.074) 0.879 21.041 ( 0.020 0.912 -0.080) 0.916 21.046 ( 0.233 0.658 -0.059) 0.701 21.053 ( -0.314 0.608 -0.560) 0.884 22.488 ( 0.346 -3.765 0.745) 3.853 22.494 ( -0.170 -3.867 0.407) 3.892 22.529 ( 0.454 -4.528 -0.284) 4.560 22.538 ( -0.306 -4.575 -0.875) 4.668 23.655 ( 0.310 0.348 0.197) 0.506 23.657 ( 0.122 0.325 -0.027) 0.348 23.671 ( 0.016 0.061 0.121) 0.136 23.674 ( -0.209 -0.028 -0.144) 0.255 24.076 ( 0.243 0.801 0.260) 0.877 24.082 ( -0.169 0.825 -0.207) 0.867 24.182 ( 0.070 -1.322 0.327) 1.363 24.189 ( -0.503 -1.372 -0.310) 1.493 24.624 ( 0.522 0.586 0.251) 0.824 24.630 ( 0.222 0.577 -0.301) 0.687 24.656 ( -0.274 0.255 0.335) 0.503 24.664 ( -0.740 0.167 -0.398) 0.856 26.224 ( 0.086 -2.482 0.168) 2.489 26.226 ( -0.083 -2.504 0.025) 2.506 26.236 ( 0.069 -2.712 -0.017) 2.713 26.238 ( -0.072 -2.733 -0.133) 2.737 28.699 ( 0.199 -0.911 0.555) 1.085 28.704 ( -0.175 -0.930 0.342) 1.006 28.709 ( 0.275 -1.195 -0.292) 1.261 28.715 ( -0.209 -1.216 -0.569) 1.359 46.937 ( 1.818 -13.603 0.649) 13.739 46.959 ( 0.159 -12.677 -1.381) 12.753 47.243 ( 3.909 -22.127 1.191) 22.501 47.278 ( 1.243 -25.776 -2.061) 25.888 48.280 ( 3.603 20.029 1.332) 20.394 48.314 ( 0.038 20.646 -1.812) 20.726 48.671 ( -5.107 3.721 1.883) 6.594 48.741 ( -10.628 7.225 -4.891) 13.751 51.580 ( 4.186 1.319 12.297) 13.057 51.697 ( -6.104 -0.754 11.447) 12.994 51.866 ( 2.962 -4.974 -10.303) 11.818 51.970 ( -6.011 -6.926 -10.221) 13.732 56.866 ( 1.060 2.373 1.787) 3.154 56.890 ( -1.028 2.118 -0.381) 2.385 57.080 ( 1.458 4.306 -0.110) 4.547 57.089 ( 0.628 3.856 -0.881) 4.005 57.485 ( 2.806 -3.341 -0.087) 4.364 57.502 ( 1.442 -3.594 -1.643) 4.206 57.629 ( 0.356 -3.654 0.630) 3.725 57.639 ( -0.486 -3.493 -0.368) 3.546 60.417 ( 0.305 0.567 0.585) 0.870 60.424 ( -0.326 0.406 -0.034) 0.522 60.552 ( 1.434 -2.804 0.720) 3.230 60.560 ( 0.779 -2.921 0.087) 3.024 ======================= Grid point 130 (49/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 0.140 3.783) 3.786 1.551 ( 0.000 -1.877 -6.567) 6.830 1.965 ( 0.000 2.790 4.819) 5.569 2.018 ( 0.000 10.612 10.382) 14.846 2.147 ( 0.000 -1.081 -10.824) 10.878 2.252 ( 0.000 3.905 -10.571) 11.270 2.840 ( 0.000 1.936 3.890) 4.345 2.877 ( 0.000 3.196 -1.220) 3.421 3.037 ( 0.000 7.772 4.039) 8.759 3.087 ( 0.000 0.723 1.429) 1.602 3.194 ( 0.000 0.197 5.850) 5.854 3.336 ( 0.000 0.552 -7.452) 7.472 3.504 ( 0.000 9.481 6.042) 11.243 3.543 ( 0.000 2.600 -2.310) 3.478 3.565 ( 0.000 6.851 -4.279) 8.078 3.571 ( 0.000 4.341 -1.139) 4.488 3.745 ( 0.000 5.012 2.548) 5.622 3.781 ( 0.000 2.557 -0.415) 2.590 3.968 ( 0.000 2.047 -2.616) 3.321 4.050 ( 0.000 -1.507 -8.636) 8.767 4.327 ( 0.000 -1.235 -0.386) 1.294 4.360 ( 0.000 -3.590 -3.107) 4.748 4.429 ( 0.000 -1.326 0.619) 1.464 4.440 ( 0.000 -1.333 -0.227) 1.353 4.655 ( 0.000 0.573 2.315) 2.384 4.701 ( 0.000 -0.464 -1.151) 1.241 4.783 ( 0.000 -1.898 2.387) 3.050 4.794 ( 0.000 -2.510 1.042) 2.717 4.853 ( 0.000 -6.511 0.713) 6.550 4.886 ( 0.000 -7.793 -1.518) 7.939 5.030 ( 0.000 2.621 3.753) 4.578 5.058 ( 0.000 1.711 1.941) 2.588 5.168 ( 0.000 1.012 -2.097) 2.328 5.174 ( 0.000 -0.704 -2.190) 2.300 5.374 ( 0.000 3.933 1.305) 4.144 5.422 ( 0.000 3.290 -3.261) 4.633 5.614 ( 0.000 -2.753 1.657) 3.214 5.627 ( 0.000 -7.026 1.563) 7.198 5.661 ( 0.000 -1.303 -1.939) 2.336 5.713 ( 0.000 -5.602 -5.917) 8.149 6.015 ( 0.000 1.942 16.383) 16.497 6.165 ( 0.000 -6.133 14.548) 15.788 6.357 ( 0.000 1.582 -12.368) 12.468 6.385 ( 0.000 -0.268 0.325) 0.422 6.637 ( 0.000 -0.373 -3.657) 3.676 6.638 ( 0.000 0.045 0.354) 0.357 6.979 ( 0.000 2.008 -2.669) 3.340 6.986 ( 0.000 1.185 -2.518) 2.783 8.594 ( 0.000 5.915 1.087) 6.014 8.596 ( 0.000 7.255 0.777) 7.297 8.697 ( 0.000 2.856 4.097) 4.994 8.772 ( 0.000 0.444 -2.809) 2.844 13.005 ( 0.000 -1.461 0.400) 1.515 13.023 ( 0.000 -2.424 -1.271) 2.737 13.142 ( 0.000 -1.487 2.140) 2.606 13.184 ( 0.000 -3.491 -1.761) 3.910 13.905 ( 0.000 9.206 0.198) 9.208 13.911 ( 0.000 9.319 -0.323) 9.325 13.965 ( 0.000 7.271 0.741) 7.309 13.979 ( 0.000 6.913 -0.627) 6.942 20.178 ( 0.000 2.131 0.612) 2.217 20.194 ( 0.000 1.553 -0.882) 1.786 20.212 ( 0.000 0.767 -0.107) 0.774 20.212 ( 0.000 0.510 -0.109) 0.522 20.753 ( 0.000 -1.862 0.547) 1.940 20.756 ( 0.000 -2.004 0.287) 2.024 20.812 ( 0.000 -1.712 0.129) 1.717 20.814 ( 0.000 -1.809 -0.053) 1.810 21.045 ( 0.000 0.482 0.227) 0.533 21.048 ( 0.000 0.356 0.169) 0.394 21.059 ( 0.000 0.670 -0.240) 0.712 21.068 ( 0.000 0.215 -0.804) 0.832 22.418 ( 0.000 -2.146 0.401) 2.183 22.427 ( 0.000 -2.716 -0.464) 2.755 22.446 ( 0.000 -2.445 0.934) 2.618 22.465 ( 0.000 -3.220 -0.798) 3.317 23.650 ( 0.000 0.266 0.134) 0.298 23.653 ( 0.000 0.144 -0.166) 0.219 23.673 ( 0.000 -0.016 0.245) 0.246 23.675 ( 0.000 -0.160 0.083) 0.180 24.084 ( 0.000 0.598 0.146) 0.615 24.092 ( 0.000 0.340 -0.608) 0.697 24.173 ( 0.000 -0.495 0.665) 0.829 24.184 ( 0.000 -0.921 -0.367) 0.991 24.615 ( 0.000 0.111 0.173) 0.205 24.617 ( 0.000 -0.002 0.008) 0.008 24.685 ( 0.000 0.263 0.008) 0.263 24.688 ( 0.000 0.093 -0.281) 0.296 26.181 ( 0.000 -1.515 0.148) 1.522 26.184 ( 0.000 -1.672 -0.167) 1.680 26.191 ( 0.000 -1.649 0.135) 1.654 26.194 ( 0.000 -1.779 -0.098) 1.782 28.680 ( 0.000 -0.518 0.547) 0.753 28.683 ( 0.000 -0.695 0.180) 0.717 28.693 ( 0.000 -0.512 -0.086) 0.519 28.699 ( 0.000 -0.811 -0.590) 1.003 46.615 ( 0.000 -14.617 2.645) 14.854 46.664 ( 0.000 -17.363 -1.706) 17.447 46.720 ( 0.000 -10.115 1.562) 10.235 46.758 ( 0.000 -12.205 -2.022) 12.372 48.530 ( 0.000 15.500 5.660) 16.502 48.644 ( 0.000 11.372 -4.684) 12.299 49.118 ( 0.000 8.859 4.730) 10.043 49.290 ( 0.000 2.908 -11.429) 11.793 51.565 ( 0.000 4.252 6.451) 7.726 51.711 ( 0.000 -3.049 -6.874) 7.520 51.899 ( 0.000 -1.329 7.151) 7.274 51.993 ( 0.000 -5.813 -2.048) 6.163 56.980 ( 0.000 9.415 2.135) 9.654 57.015 ( 0.000 7.638 -1.015) 7.705 57.099 ( 0.000 5.365 -0.082) 5.366 57.103 ( 0.000 5.669 -0.607) 5.702 57.280 ( 0.000 -5.155 0.530) 5.183 57.307 ( 0.000 -5.528 -1.883) 5.840 57.483 ( 0.000 -10.885 1.154) 10.946 57.499 ( 0.000 -10.664 -0.291) 10.668 60.440 ( 0.000 0.240 0.750) 0.787 60.444 ( 0.000 -0.445 0.337) 0.558 60.454 ( 0.000 -0.584 -0.479) 0.755 60.460 ( 0.000 -0.247 -1.111) 1.138 ======================= Grid point 131 (50/54) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 5.074 0.450 3.777) 6.341 1.613 ( 5.292 -1.733 -6.924) 8.885 1.957 ( -1.284 2.430 3.012) 4.077 2.091 ( -4.917 0.119 -8.218) 9.578 2.182 ( 13.173 9.543 8.604) 18.402 2.379 ( 10.631 5.049 -9.039) 14.840 2.738 ( -6.190 3.731 4.593) 8.563 2.821 ( -2.337 -0.930 -2.248) 3.374 3.034 ( -4.545 8.015 2.092) 9.448 3.061 ( -1.465 4.270 1.018) 4.628 3.143 ( -2.197 0.611 3.102) 3.850 3.250 ( -6.084 -0.012 -7.239) 9.456 3.567 ( 2.606 9.519 3.740) 10.555 3.606 ( 6.080 6.361 0.588) 8.819 3.613 ( 4.562 1.917 -2.829) 5.700 3.638 ( 3.089 6.497 0.045) 7.194 3.730 ( -1.930 1.753 3.006) 3.979 3.809 ( 1.765 -0.840 -2.086) 2.859 3.980 ( 1.052 0.995 -2.496) 2.885 4.015 ( -1.134 -1.204 -5.532) 5.774 4.379 ( -2.075 1.171 0.769) 2.504 4.385 ( -0.494 0.997 0.180) 1.127 4.438 ( 2.672 -2.888 0.422) 3.957 4.464 ( 5.351 -3.940 -2.145) 6.982 4.525 ( -10.710 -0.850 -0.452) 10.753 4.532 ( -13.903 -2.367 -0.825) 14.127 4.679 ( -2.147 -1.119 2.277) 3.324 4.723 ( -1.093 -1.593 -1.766) 2.617 4.863 ( -1.398 -4.070 1.814) 4.670 4.898 ( -1.202 -4.163 -1.474) 4.577 4.967 ( -4.744 1.740 2.956) 5.855 4.997 ( -3.385 0.527 1.005) 3.570 5.163 ( -2.738 4.016 4.376) 6.540 5.280 ( 2.484 3.369 -5.415) 6.844 5.375 ( -1.361 -6.279 2.411) 6.862 5.433 ( 6.991 -4.469 -1.899) 8.512 5.454 ( -3.487 1.524 0.778) 3.884 5.522 ( -4.254 -0.557 -3.136) 5.314 5.803 ( 2.612 -2.936 3.023) 4.958 5.867 ( 3.367 -5.356 -2.982) 6.994 6.084 ( 6.500 1.640 13.826) 15.366 6.223 ( 6.335 -5.185 10.161) 13.048 6.378 ( 1.486 1.604 -6.684) 7.033 6.424 ( 2.824 -0.816 -7.432) 7.992 6.635 ( 1.621 0.996 1.556) 2.458 6.669 ( 1.761 -0.764 -1.068) 2.197 6.950 ( -3.166 1.156 -2.227) 4.039 6.957 ( -2.219 1.129 -2.970) 3.875 8.591 ( 0.008 6.623 1.512) 6.793 8.603 ( 0.277 6.901 0.371) 6.916 8.695 ( -0.006 2.487 3.498) 4.292 8.760 ( -1.057 0.636 -2.379) 2.680 13.013 ( 0.738 -1.276 0.601) 1.592 13.034 ( 0.873 -2.178 -1.294) 2.680 13.130 ( -0.954 -1.927 1.929) 2.889 13.169 ( -1.241 -3.661 -1.710) 4.227 13.903 ( -0.144 9.600 0.242) 9.604 13.909 ( -0.172 9.704 -0.336) 9.711 13.971 ( 0.482 6.845 0.580) 6.887 13.983 ( 0.230 6.658 -0.515) 6.681 20.180 ( 0.151 2.044 0.567) 2.126 20.194 ( -0.013 1.504 -0.747) 1.679 20.208 ( -0.298 0.873 -0.067) 0.925 20.210 ( -0.181 0.581 -0.197) 0.640 20.757 ( 0.393 -1.834 0.519) 1.946 20.760 ( 0.406 -1.987 0.247) 2.043 20.804 ( -0.606 -1.717 0.199) 1.832 20.807 ( -0.565 -1.845 -0.024) 1.930 21.047 ( 0.229 0.489 0.144) 0.558 21.050 ( 0.187 0.382 0.067) 0.431 21.059 ( -0.021 0.643 -0.194) 0.672 21.067 ( -0.131 0.252 -0.700) 0.755 22.421 ( 0.283 -2.143 0.414) 2.201 22.430 ( 0.192 -2.526 -0.310) 2.552 22.447 ( 0.110 -2.668 0.690) 2.758 22.464 ( -0.137 -3.226 -0.735) 3.312 23.653 ( 0.319 0.278 0.144) 0.447 23.656 ( 0.305 0.162 -0.143) 0.374 23.673 ( -0.053 -0.000 0.224) 0.230 23.675 ( -0.040 -0.138 0.044) 0.151 24.087 ( 0.280 0.744 0.206) 0.821 24.095 ( 0.288 0.514 -0.592) 0.835 24.166 ( -0.559 -0.707 0.615) 1.091 24.177 ( -0.616 -1.063 -0.382) 1.287 24.620 ( 0.460 0.204 0.210) 0.545 24.623 ( 0.552 0.043 -0.084) 0.560 24.677 ( -0.675 0.291 0.122) 0.745 24.682 ( -0.584 0.043 -0.318) 0.666 26.182 ( 0.059 -1.507 0.140) 1.514 26.185 ( 0.025 -1.626 -0.142) 1.633 26.191 ( -0.028 -1.691 0.119) 1.695 26.193 ( -0.045 -1.789 -0.101) 1.793 28.681 ( 0.128 -0.517 0.491) 0.724 28.685 ( 0.170 -0.719 0.093) 0.744 28.692 ( -0.095 -0.513 -0.019) 0.522 28.698 ( -0.105 -0.811 -0.524) 0.972 46.622 ( 0.991 -12.810 2.244) 13.042 46.671 ( 0.907 -14.382 -2.191) 14.576 46.764 ( 2.970 -14.378 0.658) 14.697 46.780 ( 1.722 -14.515 -0.885) 14.643 48.559 ( 2.722 15.099 4.686) 16.042 48.648 ( 0.503 11.870 -3.269) 12.322 49.017 ( -8.181 9.673 4.283) 13.373 49.167 ( -10.154 4.552 -9.624) 14.712 51.578 ( 1.348 4.006 6.417) 7.684 51.718 ( 0.720 -2.690 -5.902) 6.526 51.846 ( -4.145 -0.430 6.447) 7.677 51.953 ( -3.533 -5.625 -3.191) 7.370 56.968 ( -0.510 8.597 1.882) 8.815 57.006 ( -0.844 7.388 -1.650) 7.617 57.127 ( 2.391 5.680 0.632) 6.195 57.141 ( 2.262 5.803 -0.656) 6.262 57.314 ( 2.655 -6.192 0.321) 6.744 57.337 ( 2.248 -6.823 -1.705) 7.383 57.486 ( 0.467 -10.011 1.327) 10.109 57.508 ( 0.567 -9.882 -0.676) 9.921 60.430 ( -0.054 0.816 0.508) 0.963 60.443 ( -0.252 0.683 -0.549) 0.912 60.472 ( 1.599 -1.411 0.542) 2.200 60.486 ( 1.392 -1.517 -0.648) 2.158 ======================= Grid point 132 (51/54) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 8.242 2.021 2.804) 8.937 1.749 ( 4.999 0.406 -6.418) 8.145 1.875 ( -4.830 -0.444 0.747) 4.907 1.953 ( -6.922 -1.121 -5.904) 9.167 2.477 ( 10.530 10.546 5.948) 16.046 2.606 ( 1.651 8.435 -3.975) 9.469 2.668 ( 5.302 5.615 4.609) 8.993 2.820 ( -2.110 -2.125 -6.910) 7.531 2.923 ( 1.382 6.355 5.189) 8.320 3.031 ( -2.248 3.683 -4.012) 5.892 3.095 ( -1.265 2.016 0.606) 2.456 3.153 ( -3.239 0.622 -4.759) 5.790 3.581 ( -0.333 6.028 0.448) 6.054 3.590 ( -2.298 5.251 -1.461) 5.915 3.644 ( -2.636 -1.844 0.299) 3.231 3.671 ( -3.509 0.071 -0.548) 3.552 3.817 ( 7.685 5.413 3.444) 10.011 3.867 ( 3.741 1.337 -1.824) 4.371 3.985 ( -1.228 1.741 0.482) 2.185 3.996 ( -1.353 -0.204 -1.587) 2.095 4.271 ( -3.401 -0.249 0.617) 3.465 4.289 ( -4.231 -0.002 -0.694) 4.288 4.336 ( -2.886 -2.457 0.865) 3.888 4.360 ( -4.136 -2.786 -1.040) 5.094 4.547 ( 4.144 1.258 2.392) 4.947 4.587 ( 1.984 0.339 -0.812) 2.170 4.649 ( 0.970 -1.788 2.972) 3.601 4.704 ( -1.409 -3.270 -1.361) 3.812 4.813 ( -1.632 0.256 0.219) 1.666 4.836 ( -2.918 -0.244 -1.421) 3.255 4.909 ( -0.607 -1.235 -0.015) 1.376 4.926 ( -2.122 -1.302 -1.273) 2.796 5.175 ( 3.466 2.738 5.563) 7.103 5.267 ( -0.532 0.650 -2.610) 2.742 5.295 ( -4.181 -0.069 3.500) 5.453 5.354 ( -5.322 -1.065 -1.928) 5.760 5.591 ( 7.966 -3.029 1.379) 8.634 5.636 ( 8.610 -4.694 -2.718) 10.176 5.752 ( -5.606 -2.753 2.681) 6.797 5.814 ( -6.379 -5.587 -2.576) 8.863 6.250 ( 7.018 3.251 8.018) 11.140 6.355 ( -0.622 2.768 3.193) 4.272 6.402 ( 3.983 -4.220 0.333) 5.813 6.464 ( -0.120 -2.494 -5.808) 6.322 6.712 ( 4.925 1.185 1.426) 5.262 6.747 ( 5.327 0.009 -2.126) 5.735 6.850 ( -5.348 0.393 -1.152) 5.485 6.881 ( -4.691 -0.485 -3.618) 5.944 8.596 ( 0.385 6.938 1.553) 7.120 8.604 ( -0.214 7.098 0.866) 7.154 8.703 ( 0.835 1.737 1.359) 2.358 8.730 ( -1.467 1.128 -1.017) 2.111 13.035 ( 1.177 -0.761 0.810) 1.618 13.051 ( 0.184 -0.878 -0.411) 0.987 13.113 ( -0.064 -3.626 0.508) 3.662 13.135 ( -1.657 -4.055 -1.351) 4.584 13.902 ( 0.053 10.136 0.119) 10.137 13.905 ( -0.193 10.185 -0.151) 10.188 13.981 ( 0.390 6.333 0.194) 6.348 13.986 ( -0.006 6.302 -0.217) 6.306 20.185 ( 0.309 1.812 0.405) 1.882 20.192 ( -0.259 1.549 -0.086) 1.573 20.203 ( -0.055 0.939 -0.323) 0.995 20.205 ( -0.203 0.763 -0.374) 0.874 20.769 ( 0.704 -1.762 0.426) 1.945 20.773 ( 0.684 -1.913 0.140) 2.036 20.788 ( -0.804 -1.780 0.347) 1.983 20.791 ( -0.808 -1.925 0.074) 2.089 21.053 ( 0.247 0.530 -0.006) 0.585 21.055 ( 0.241 0.448 -0.219) 0.554 21.058 ( -0.068 0.529 -0.065) 0.537 21.062 ( -0.261 0.324 -0.445) 0.610 22.428 ( 0.311 -2.108 0.418) 2.172 22.433 ( -0.030 -2.148 0.186) 2.157 22.452 ( 0.293 -3.125 -0.035) 3.139 22.459 ( -0.298 -3.238 -0.533) 3.295 23.661 ( 0.311 0.297 0.149) 0.454 23.663 ( 0.193 0.243 -0.028) 0.311 23.671 ( -0.044 -0.032 0.120) 0.131 23.673 ( -0.128 -0.097 -0.020) 0.162 24.095 ( 0.451 1.108 0.174) 1.209 24.101 ( 0.082 1.080 -0.305) 1.125 24.155 ( -0.240 -1.340 0.271) 1.388 24.161 ( -0.672 -1.412 -0.272) 1.587 24.634 ( 0.762 0.431 0.199) 0.898 24.638 ( 0.689 0.283 -0.221) 0.777 24.659 ( -0.728 0.120 0.240) 0.776 24.665 ( -0.871 -0.077 -0.256) 0.911 26.183 ( 0.084 -1.490 0.102) 1.496 26.185 ( -0.036 -1.514 -0.017) 1.515 26.191 ( 0.029 -1.796 0.012) 1.796 26.192 ( -0.070 -1.812 -0.084) 1.816 28.685 ( 0.192 -0.514 0.340) 0.645 28.689 ( -0.139 -0.524 0.110) 0.554 28.690 ( 0.207 -0.756 -0.078) 0.788 28.695 ( -0.199 -0.802 -0.347) 0.896 46.660 ( 2.077 -11.314 0.877) 11.537 46.688 ( -0.032 -11.574 -1.637) 11.689 46.813 ( 1.334 -18.795 0.048) 18.843 46.819 ( 1.051 -17.801 -0.495) 17.839 48.648 ( 4.776 14.754 1.712) 15.602 48.682 ( 2.776 14.072 -1.324) 14.405 48.833 ( -6.210 9.484 3.098) 11.752 48.915 ( -10.914 7.408 -4.566) 13.958 51.629 ( 3.327 3.357 6.380) 7.940 51.713 ( -3.262 1.849 4.710) 6.020 51.783 ( 1.189 -3.524 -3.954) 5.428 51.858 ( -4.517 -4.750 -4.827) 8.141 56.968 ( 0.475 7.824 0.851) 7.884 56.985 ( -0.989 7.362 -0.711) 7.462 57.172 ( 1.306 5.384 0.169) 5.543 57.178 ( 0.804 5.348 -0.340) 5.419 57.369 ( 1.765 -7.979 -0.336) 8.179 57.378 ( 0.957 -8.432 -1.144) 8.563 57.505 ( 1.001 -8.348 0.683) 8.435 57.517 ( 0.060 -8.366 -0.425) 8.377 60.435 ( 0.339 1.262 0.329) 1.347 60.440 ( -0.118 1.205 -0.127) 1.218 60.503 ( 0.987 -2.226 0.366) 2.462 60.509 ( 0.477 -2.289 -0.139) 2.342 ======================= Grid point 135 (52/54) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 -3.839 -0.730) 3.908 1.481 ( 0.000 3.839 -0.730) 3.908 2.049 ( 0.000 -4.517 -0.445) 4.538 2.049 ( 0.000 4.517 -0.445) 4.538 2.230 ( 0.000 -5.875 -4.717) 7.534 2.230 ( 0.000 5.875 -4.717) 7.534 2.881 ( 0.000 -1.853 2.269) 2.929 2.881 ( 0.000 1.853 2.269) 2.929 3.110 ( 0.000 -0.866 3.620) 3.722 3.110 ( 0.000 0.866 3.620) 3.722 3.255 ( 0.000 -6.626 -0.417) 6.639 3.255 ( 0.000 6.626 -0.417) 6.639 3.586 ( 0.000 -1.664 -3.672) 4.032 3.586 ( 0.000 1.664 -3.672) 4.032 3.609 ( 0.000 -0.489 3.030) 3.069 3.609 ( 0.000 0.489 3.030) 3.069 3.822 ( 0.000 -0.102 -1.248) 1.253 3.822 ( 0.000 0.102 -1.248) 1.253 4.006 ( 0.000 -1.905 -6.025) 6.318 4.006 ( 0.000 1.905 -6.025) 6.318 4.318 ( 0.000 -0.641 -1.629) 1.751 4.318 ( 0.000 0.641 -1.629) 1.751 4.430 ( 0.000 -0.415 0.145) 0.440 4.430 ( 0.000 0.415 0.145) 0.440 4.682 ( 0.000 -1.529 0.218) 1.545 4.682 ( 0.000 1.529 0.218) 1.545 4.770 ( 0.000 -0.210 1.679) 1.692 4.770 ( 0.000 0.210 1.679) 1.692 4.791 ( 0.000 -1.016 0.055) 1.018 4.791 ( 0.000 1.016 0.055) 1.018 5.067 ( 0.000 -0.894 3.394) 3.510 5.067 ( 0.000 0.894 3.394) 3.510 5.176 ( 0.000 -0.420 -0.911) 1.004 5.176 ( 0.000 0.420 -0.911) 1.004 5.466 ( 0.000 -3.655 0.141) 3.657 5.466 ( 0.000 3.655 0.141) 3.657 5.537 ( 0.000 -2.860 -1.062) 3.051 5.537 ( 0.000 2.860 -1.062) 3.051 5.651 ( 0.000 -0.700 -3.206) 3.282 5.651 ( 0.000 0.700 -3.206) 3.282 6.065 ( 0.000 -3.701 14.928) 15.380 6.065 ( 0.000 3.701 14.928) 15.380 6.377 ( 0.000 -0.555 -6.535) 6.559 6.377 ( 0.000 0.555 -6.535) 6.559 6.638 ( 0.000 -0.132 -0.667) 0.680 6.638 ( 0.000 0.132 -0.667) 0.680 6.998 ( 0.000 -0.047 -2.746) 2.746 6.998 ( 0.000 0.047 -2.746) 2.746 8.664 ( 0.000 -0.769 1.835) 1.989 8.664 ( 0.000 0.769 1.835) 1.989 8.747 ( 0.000 -2.627 -0.305) 2.645 8.747 ( 0.000 2.627 -0.305) 2.645 12.994 ( 0.000 -0.478 -0.415) 0.633 12.994 ( 0.000 0.478 -0.415) 0.633 13.138 ( 0.000 -1.117 0.165) 1.129 13.138 ( 0.000 1.117 0.165) 1.129 14.004 ( 0.000 -0.346 0.023) 0.347 14.004 ( 0.000 0.346 0.023) 0.347 14.042 ( 0.000 -0.584 -0.036) 0.585 14.042 ( 0.000 0.584 -0.036) 0.585 20.207 ( 0.000 -0.733 0.098) 0.739 20.207 ( 0.000 0.733 0.098) 0.739 20.216 ( 0.000 -0.313 -0.309) 0.440 20.216 ( 0.000 0.313 -0.309) 0.440 20.734 ( 0.000 -0.084 0.433) 0.442 20.734 ( 0.000 0.084 0.433) 0.442 20.794 ( 0.000 -0.054 0.037) 0.065 20.794 ( 0.000 0.054 0.037) 0.065 21.051 ( 0.000 -0.095 0.247) 0.265 21.051 ( 0.000 0.095 0.247) 0.265 21.068 ( 0.000 -0.231 -0.591) 0.634 21.068 ( 0.000 0.231 -0.591) 0.634 22.398 ( 0.000 -0.217 -0.038) 0.221 22.398 ( 0.000 0.217 -0.038) 0.221 22.427 ( 0.000 -0.537 0.076) 0.542 22.427 ( 0.000 0.537 0.076) 0.542 23.653 ( 0.000 -0.095 0.000) 0.095 23.653 ( 0.000 0.095 0.000) 0.095 23.673 ( 0.000 -0.033 0.175) 0.178 23.673 ( 0.000 0.033 0.175) 0.178 24.093 ( 0.000 -0.245 -0.242) 0.344 24.093 ( 0.000 0.245 -0.242) 0.344 24.171 ( 0.000 -0.316 0.106) 0.333 24.171 ( 0.000 0.316 0.106) 0.333 24.616 ( 0.000 -0.048 0.093) 0.104 24.616 ( 0.000 0.048 0.093) 0.104 24.688 ( 0.000 -0.089 -0.109) 0.141 24.688 ( 0.000 0.089 -0.109) 0.141 26.167 ( 0.000 -0.093 -0.002) 0.093 26.167 ( 0.000 0.093 -0.002) 0.093 26.175 ( 0.000 -0.064 0.003) 0.064 26.175 ( 0.000 0.064 0.003) 0.064 28.675 ( 0.000 -0.083 0.357) 0.367 28.675 ( 0.000 0.083 0.357) 0.367 28.689 ( 0.000 -0.163 -0.337) 0.374 28.689 ( 0.000 0.163 -0.337) 0.374 46.477 ( 0.000 -1.196 0.535) 1.310 46.477 ( 0.000 1.196 0.535) 1.310 46.622 ( 0.000 -0.949 -0.055) 0.951 46.622 ( 0.000 0.949 -0.055) 0.951 48.724 ( 0.000 -3.427 2.012) 3.974 48.724 ( 0.000 3.427 2.012) 3.974 49.264 ( 0.000 -5.146 -4.365) 6.748 49.264 ( 0.000 5.146 -4.365) 6.748 51.646 ( 0.000 -3.772 -0.151) 3.775 51.646 ( 0.000 3.772 -0.151) 3.775 51.913 ( 0.000 -2.500 2.148) 3.296 51.913 ( 0.000 2.500 2.148) 3.296 57.159 ( 0.000 -5.133 0.399) 5.148 57.159 ( 0.000 5.133 0.399) 5.148 57.172 ( 0.000 -6.550 -0.629) 6.580 57.172 ( 0.000 6.550 -0.629) 6.580 57.251 ( 0.000 -10.375 0.945) 10.418 57.251 ( 0.000 10.375 0.945) 10.418 57.276 ( 0.000 -10.372 -0.882) 10.409 57.276 ( 0.000 10.372 -0.882) 10.409 60.438 ( 0.000 -0.029 0.156) 0.159 60.438 ( 0.000 0.029 0.156) 0.159 60.456 ( 0.000 -0.297 -0.458) 0.546 60.456 ( 0.000 0.297 -0.458) 0.546 ======================= Grid point 137 (53/54) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 5.585 -3.854 -0.953) 6.852 1.544 ( 5.585 3.854 -0.953) 6.852 2.032 ( -2.867 -4.331 -3.358) 6.185 2.032 ( -2.867 4.331 -3.358) 6.185 2.364 ( 12.125 -6.382 -1.211) 13.756 2.364 ( 12.125 6.382 -1.211) 13.756 2.791 ( -5.015 -2.152 1.526) 5.666 2.791 ( -5.015 2.152 1.526) 5.666 3.122 ( -1.368 -2.503 3.218) 4.301 3.122 ( -1.368 2.503 3.218) 4.301 3.183 ( -4.696 -6.344 -2.338) 8.232 3.183 ( -4.696 6.344 -2.338) 8.232 3.620 ( 3.063 -0.948 -1.450) 3.519 3.620 ( 3.063 0.948 -1.450) 3.519 3.703 ( 6.482 -1.515 3.326) 7.442 3.703 ( 6.482 1.515 3.326) 7.442 3.775 ( -4.515 -2.677 -3.703) 6.424 3.775 ( -4.515 2.677 -3.703) 6.424 4.004 ( 0.862 -0.963 -2.668) 2.964 4.004 ( 0.862 0.963 -2.668) 2.964 4.394 ( -2.484 -0.607 0.066) 2.558 4.394 ( -2.484 0.607 0.066) 2.558 4.420 ( 5.874 -0.759 -0.669) 5.961 4.420 ( 5.874 0.759 -0.669) 5.961 4.508 ( -13.029 -0.302 -0.796) 13.057 4.508 ( -13.029 0.302 -0.796) 13.057 4.683 ( -0.822 -1.576 0.474) 1.839 4.683 ( -0.822 1.576 0.474) 1.839 4.848 ( 0.519 -1.414 0.002) 1.506 4.848 ( 0.519 1.414 0.002) 1.506 4.999 ( -5.100 -0.891 2.546) 5.769 4.999 ( -5.100 0.891 2.546) 5.769 5.256 ( -2.470 -5.595 3.864) 7.234 5.256 ( -2.470 5.595 3.864) 7.234 5.348 ( 3.831 -3.820 -3.903) 6.671 5.348 ( 3.831 3.820 -3.903) 6.671 5.495 ( -3.550 -2.123 -0.138) 4.139 5.495 ( -3.550 2.123 -0.138) 4.139 5.791 ( 3.302 -1.908 -0.849) 3.907 5.791 ( 3.302 1.908 -0.849) 3.907 6.131 ( 6.863 -3.559 11.186) 13.598 6.131 ( 6.863 3.559 11.186) 13.598 6.406 ( 2.107 -1.107 -6.782) 7.187 6.406 ( 2.107 1.107 -6.782) 7.187 6.655 ( 1.764 -0.910 0.640) 2.086 6.655 ( 1.764 0.910 0.640) 2.086 6.964 ( -3.067 -0.287 -2.788) 4.155 6.964 ( -3.067 0.287 -2.788) 4.155 8.670 ( 0.530 -1.076 1.603) 2.002 8.670 ( 0.530 1.076 1.603) 2.002 8.737 ( -0.855 -2.514 -0.138) 2.658 8.737 ( -0.855 2.514 -0.138) 2.658 13.006 ( 1.032 -0.591 -0.354) 1.241 13.006 ( 1.032 0.591 -0.354) 1.241 13.121 ( -1.390 -1.089 0.113) 1.769 13.121 ( -1.390 1.089 0.113) 1.769 14.009 ( 0.423 -0.495 0.011) 0.651 14.009 ( 0.423 0.495 0.011) 0.651 14.040 ( -0.191 -0.639 -0.031) 0.668 14.040 ( -0.191 0.639 -0.031) 0.668 20.207 ( -0.005 -0.651 0.062) 0.654 20.207 ( -0.005 0.651 0.062) 0.654 20.214 ( -0.151 -0.230 -0.261) 0.379 20.214 ( -0.151 0.230 -0.261) 0.379 20.739 ( 0.420 -0.088 0.401) 0.587 20.739 ( 0.420 0.088 0.401) 0.587 20.787 ( -0.604 -0.069 0.086) 0.614 20.787 ( -0.604 0.069 0.086) 0.614 21.053 ( 0.221 -0.079 0.148) 0.277 21.053 ( 0.221 0.079 0.148) 0.277 21.067 ( -0.073 -0.197 -0.507) 0.549 21.067 ( -0.073 0.197 -0.507) 0.549 22.402 ( 0.343 -0.252 -0.031) 0.426 22.402 ( 0.343 0.252 -0.031) 0.426 22.425 ( -0.133 -0.504 0.063) 0.525 22.425 ( -0.133 0.504 0.063) 0.525 23.657 ( 0.329 -0.092 0.009) 0.342 23.657 ( 0.329 0.092 0.009) 0.342 23.673 ( -0.037 -0.043 0.147) 0.158 23.673 ( -0.037 0.043 0.147) 0.158 24.098 ( 0.490 -0.283 -0.201) 0.601 24.098 ( 0.490 0.283 -0.201) 0.601 24.162 ( -0.808 -0.333 0.078) 0.877 24.162 ( -0.808 0.333 0.078) 0.877 24.623 ( 0.569 -0.088 0.075) 0.581 24.623 ( 0.569 0.088 0.075) 0.581 24.681 ( -0.647 -0.130 -0.086) 0.666 24.681 ( -0.647 0.130 -0.086) 0.666 26.167 ( 0.073 -0.094 -0.001) 0.119 26.167 ( 0.073 0.094 -0.001) 0.119 26.174 ( -0.068 -0.072 0.003) 0.099 26.174 ( -0.068 0.072 0.003) 0.099 28.677 ( 0.140 -0.096 0.288) 0.334 28.677 ( 0.140 0.096 0.288) 0.334 28.688 ( -0.099 -0.159 -0.272) 0.330 28.688 ( -0.099 0.159 -0.272) 0.330 46.502 ( 2.224 -1.407 0.364) 2.657 46.502 ( 2.224 1.407 0.364) 2.657 46.629 ( 0.340 -0.533 -0.282) 0.692 46.629 ( 0.340 0.533 -0.282) 0.692 48.740 ( 1.635 -2.654 2.187) 3.808 48.740 ( 1.635 2.654 2.187) 3.808 49.166 ( -8.066 -4.504 -3.692) 9.949 49.166 ( -8.066 4.504 -3.692) 9.949 51.657 ( 1.099 -3.710 -0.102) 3.871 51.657 ( 1.099 3.710 -0.102) 3.871 51.871 ( -3.517 -2.824 1.732) 4.832 51.871 ( -3.517 2.824 1.732) 4.832 57.152 ( -0.511 -8.090 0.198) 8.108 57.152 ( -0.511 8.090 0.198) 8.108 57.170 ( -0.176 -7.428 -0.867) 7.480 57.170 ( -0.176 7.428 -0.867) 7.480 57.281 ( 2.519 -7.827 1.015) 8.285 57.281 ( 2.519 7.827 1.015) 8.285 57.307 ( 2.272 -8.121 -0.709) 8.462 57.307 ( 2.272 8.121 -0.709) 8.462 60.447 ( 0.740 -0.836 0.210) 1.136 60.447 ( 0.740 0.836 0.210) 1.136 60.462 ( 0.454 -0.902 -0.371) 1.076 60.462 ( 0.454 0.902 -0.371) 1.076 ======================= Grid point 139 (54/54) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 8.922 -3.536 -1.754) 9.756 1.709 ( 8.922 3.536 -1.754) 9.756 1.906 ( -8.179 -2.914 -3.124) 9.228 1.906 ( -8.179 2.914 -3.124) 9.228 2.663 ( 10.778 -6.098 0.377) 12.390 2.663 ( 10.778 6.098 0.377) 12.390 2.738 ( -0.016 -3.253 -0.058) 3.254 2.738 ( -0.016 3.253 -0.058) 3.254 3.038 ( -1.242 -4.075 -0.670) 4.312 3.038 ( -1.242 4.075 -0.670) 4.312 3.120 ( -3.899 -2.431 0.139) 4.597 3.120 ( -3.899 2.431 0.139) 4.597 3.625 ( -1.891 -0.591 -1.823) 2.692 3.625 ( -1.891 0.591 -1.823) 2.692 3.653 ( -4.764 -1.745 -3.747) 6.307 3.653 ( -4.764 1.745 -3.747) 6.307 3.884 ( 8.193 -0.789 2.836) 8.706 3.884 ( 8.193 0.789 2.836) 8.706 4.004 ( -2.170 -0.511 1.194) 2.529 4.004 ( -2.170 0.511 1.194) 2.529 4.283 ( -3.477 -1.501 -0.023) 3.787 4.283 ( -3.477 1.501 -0.023) 3.787 4.310 ( -4.584 -1.417 -0.679) 4.846 4.310 ( -4.584 1.417 -0.679) 4.846 4.572 ( 5.447 -1.176 0.363) 5.584 4.572 ( 5.447 1.176 0.363) 5.584 4.654 ( -2.229 -1.509 0.924) 2.846 4.654 ( -2.229 1.509 0.924) 2.846 4.854 ( 0.602 -1.761 -0.738) 2.002 4.854 ( 0.602 1.761 -0.738) 2.002 4.894 ( -3.391 -1.603 -0.568) 3.793 4.894 ( -3.391 1.603 -0.568) 3.793 5.231 ( 1.981 -2.882 3.972) 5.293 5.231 ( 1.981 2.882 3.972) 5.293 5.325 ( -5.568 -1.892 -0.048) 5.881 5.325 ( -5.568 1.892 -0.048) 5.881 5.572 ( 8.211 -1.343 -0.728) 8.352 5.572 ( 8.211 1.343 -0.728) 8.352 5.739 ( -6.190 -1.680 -0.586) 6.440 5.739 ( -6.190 1.680 -0.586) 6.440 6.312 ( 7.513 -3.451 5.157) 9.745 6.312 ( 7.513 3.451 5.157) 9.745 6.419 ( -1.961 -2.351 -2.141) 3.736 6.419 ( -1.961 2.351 -2.141) 3.736 6.734 ( 5.536 -1.031 -0.752) 5.681 6.734 ( 5.536 1.031 -0.752) 5.681 6.866 ( -5.699 -0.986 -2.621) 6.350 6.866 ( -5.699 0.986 -2.621) 6.350 8.687 ( 1.042 -1.640 1.015) 2.192 8.687 ( 1.042 1.640 1.015) 2.192 8.713 ( -1.238 -2.167 0.345) 2.520 8.713 ( -1.238 2.167 0.345) 2.520 13.038 ( 1.837 -0.807 -0.202) 2.017 13.038 ( 1.837 0.807 -0.202) 2.017 13.082 ( -2.056 -0.989 -0.025) 2.282 13.082 ( -2.056 0.989 -0.025) 2.282 14.021 ( 0.587 -0.668 -0.010) 0.889 14.021 ( 0.587 0.668 -0.010) 0.889 14.033 ( -0.445 -0.707 -0.023) 0.836 14.033 ( -0.445 0.707 -0.023) 0.836 20.208 ( 0.066 -0.438 -0.030) 0.444 20.208 ( 0.066 0.438 -0.030) 0.444 20.210 ( -0.162 -0.202 -0.150) 0.300 20.210 ( -0.162 0.202 -0.150) 0.300 20.752 ( 0.755 -0.093 0.313) 0.823 20.752 ( 0.755 0.093 0.313) 0.823 20.771 ( -0.866 -0.089 0.196) 0.892 20.771 ( -0.866 0.089 0.196) 0.892 21.059 ( 0.288 -0.067 -0.073) 0.304 21.059 ( 0.288 0.067 -0.073) 0.304 21.065 ( -0.198 -0.123 -0.310) 0.388 21.065 ( -0.198 0.123 -0.310) 0.388 22.411 ( 0.460 -0.331 -0.007) 0.567 22.411 ( 0.460 0.331 -0.007) 0.567 22.420 ( -0.330 -0.424 0.029) 0.538 22.420 ( -0.330 0.424 0.029) 0.538 23.665 ( 0.343 -0.082 0.037) 0.355 23.665 ( 0.343 0.082 0.037) 0.355 23.671 ( -0.161 -0.064 0.088) 0.194 23.671 ( -0.161 0.064 0.088) 0.194 24.114 ( 0.982 -0.341 -0.104) 1.044 24.114 ( 0.982 0.341 -0.104) 1.044 24.139 ( -1.180 -0.355 0.001) 1.232 24.139 ( -1.180 0.355 0.001) 1.232 24.640 ( 0.956 -0.143 0.028) 0.967 24.640 ( 0.956 0.143 0.028) 0.967 24.662 ( -1.004 -0.164 -0.032) 1.017 24.662 ( -1.004 0.164 -0.032) 1.017 26.170 ( 0.117 -0.093 -0.000) 0.149 26.170 ( 0.117 0.093 -0.000) 0.149 26.172 ( -0.113 -0.086 0.001) 0.142 26.172 ( -0.113 0.086 0.001) 0.142 28.681 ( 0.206 -0.123 0.112) 0.265 28.681 ( 0.206 0.123 0.112) 0.265 28.685 ( -0.181 -0.147 -0.101) 0.254 28.685 ( -0.181 0.147 -0.101) 0.254 46.565 ( 3.158 -1.574 -0.076) 3.529 46.565 ( 3.158 1.575 -0.076) 3.529 46.620 ( -1.487 -1.066 -0.431) 1.879 46.620 ( -1.487 1.066 -0.431) 1.879 48.809 ( 4.983 -1.193 1.270) 5.279 48.809 ( 4.983 1.193 1.270) 5.279 48.965 ( -9.007 -2.721 -1.468) 9.523 48.965 ( -9.007 2.721 -1.468) 9.523 51.699 ( 2.872 -3.472 0.180) 4.510 51.699 ( 2.872 3.472 0.180) 4.510 51.780 ( -4.301 -3.177 0.866) 5.417 51.780 ( -4.301 3.177 0.866) 5.417 57.149 ( 0.247 -7.138 -0.240) 7.146 57.149 ( 0.247 7.138 -0.240) 7.146 57.160 ( -0.640 -6.667 -0.671) 6.731 57.160 ( -0.640 6.667 -0.671) 6.731 57.337 ( 1.882 -6.471 0.488) 6.757 57.337 ( 1.882 6.472 0.488) 6.757 57.348 ( 0.935 -6.777 -0.257) 6.846 57.348 ( 0.935 6.777 -0.257) 6.846 60.464 ( 0.649 -1.423 0.169) 1.573 60.464 ( 0.649 1.423 0.169) 1.573 60.470 ( 0.103 -1.445 -0.102) 1.452 60.470 ( 0.103 1.445 -0.102) 1.452 =================== 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 3/30000 10.0 384.852 674.260 588.975 0.000 0.000 0.000 3/30000 20.0 80.687 132.660 90.365 0.000 0.000 0.000 3/30000 30.0 31.203 52.753 31.558 0.000 0.000 0.000 3/30000 40.0 16.472 28.167 15.992 0.000 0.000 0.000 3/30000 50.0 10.507 17.967 10.021 0.000 0.000 0.000 3/30000 60.0 7.547 12.820 7.128 0.000 0.000 0.000 3/30000 70.0 5.851 9.847 5.488 0.000 0.000 0.000 3/30000 80.0 4.771 7.954 4.453 0.000 0.000 0.000 3/30000 90.0 4.030 6.661 3.747 0.000 0.000 0.000 3/30000 100.0 3.491 5.728 3.236 0.000 0.000 0.000 3/30000 110.0 3.082 5.026 2.851 0.000 0.000 0.000 3/30000 120.0 2.760 4.479 2.549 0.000 0.000 0.000 3/30000 130.0 2.501 4.042 2.306 0.000 0.000 0.000 3/30000 140.0 2.286 3.684 2.107 0.000 0.000 0.000 3/30000 150.0 2.107 3.386 1.940 0.000 0.000 0.000 3/30000 160.0 1.953 3.133 1.798 0.000 0.000 0.000 3/30000 170.0 1.821 2.916 1.675 0.000 0.000 0.000 3/30000 180.0 1.706 2.728 1.569 0.000 0.000 0.000 3/30000 190.0 1.605 2.563 1.475 0.000 0.000 0.000 3/30000 200.0 1.515 2.417 1.392 0.000 0.000 0.000 3/30000 210.0 1.435 2.287 1.318 0.000 0.000 0.000 3/30000 220.0 1.362 2.170 1.252 0.000 0.000 0.000 3/30000 230.0 1.297 2.065 1.192 0.000 0.000 0.000 3/30000 240.0 1.238 1.970 1.137 0.000 0.000 0.000 3/30000 250.0 1.184 1.883 1.088 0.000 0.000 0.000 3/30000 260.0 1.135 1.804 1.042 0.000 0.000 0.000 3/30000 270.0 1.089 1.732 1.001 0.000 0.000 0.000 3/30000 280.0 1.047 1.665 0.962 0.000 0.000 0.000 3/30000 290.0 1.009 1.603 0.927 0.000 0.000 0.000 3/30000 300.0 0.973 1.546 0.894 0.000 0.000 0.000 3/30000 310.0 0.939 1.493 0.863 0.000 0.000 0.000 3/30000 320.0 0.908 1.444 0.835 0.000 0.000 0.000 3/30000 330.0 0.879 1.398 0.809 0.000 0.000 0.000 3/30000 340.0 0.852 1.355 0.784 0.000 0.000 0.000 3/30000 350.0 0.827 1.315 0.761 0.000 0.000 0.000 3/30000 360.0 0.803 1.277 0.739 0.000 0.000 0.000 3/30000 370.0 0.780 1.241 0.719 0.000 0.000 0.000 3/30000 380.0 0.759 1.208 0.699 0.000 0.000 0.000 3/30000 390.0 0.739 1.176 0.681 0.000 0.000 0.000 3/30000 400.0 0.719 1.147 0.664 0.000 0.000 0.000 3/30000 410.0 0.701 1.119 0.648 0.000 0.000 0.000 3/30000 420.0 0.684 1.092 0.633 0.000 0.000 0.000 3/30000 430.0 0.668 1.067 0.618 0.000 0.000 0.000 3/30000 440.0 0.653 1.043 0.604 0.000 0.000 0.000 3/30000 450.0 0.638 1.020 0.591 0.000 0.000 0.000 3/30000 460.0 0.624 0.998 0.579 0.000 0.000 0.000 3/30000 470.0 0.610 0.977 0.567 0.000 0.000 0.000 3/30000 480.0 0.597 0.957 0.555 0.000 0.000 0.000 3/30000 490.0 0.585 0.938 0.544 0.000 0.000 0.000 3/30000 500.0 0.573 0.920 0.534 0.000 0.000 0.000 3/30000 510.0 0.562 0.903 0.524 0.000 0.000 0.000 3/30000 520.0 0.551 0.886 0.514 0.000 0.000 0.000 3/30000 530.0 0.541 0.870 0.505 0.000 0.000 0.000 3/30000 540.0 0.531 0.855 0.496 0.000 0.000 0.000 3/30000 550.0 0.521 0.840 0.488 0.000 0.000 0.000 3/30000 560.0 0.512 0.826 0.480 0.000 0.000 0.000 3/30000 570.0 0.503 0.812 0.472 0.000 0.000 0.000 3/30000 580.0 0.495 0.799 0.465 0.000 0.000 0.000 3/30000 590.0 0.486 0.786 0.457 0.000 0.000 0.000 3/30000 600.0 0.478 0.774 0.450 0.000 0.000 0.000 3/30000 610.0 0.471 0.762 0.443 0.000 0.000 0.000 3/30000 620.0 0.463 0.751 0.437 0.000 0.000 0.000 3/30000 630.0 0.456 0.739 0.431 0.000 0.000 0.000 3/30000 640.0 0.449 0.729 0.424 0.000 0.000 0.000 3/30000 650.0 0.442 0.718 0.418 0.000 0.000 0.000 3/30000 660.0 0.435 0.708 0.413 0.000 0.000 0.000 3/30000 670.0 0.429 0.698 0.407 0.000 0.000 0.000 3/30000 680.0 0.423 0.689 0.402 0.000 0.000 0.000 3/30000 690.0 0.417 0.680 0.396 0.000 0.000 0.000 3/30000 700.0 0.411 0.671 0.391 0.000 0.000 0.000 3/30000 710.0 0.405 0.662 0.386 0.000 0.000 0.000 3/30000 720.0 0.400 0.653 0.382 0.000 0.000 0.000 3/30000 730.0 0.395 0.645 0.377 0.000 0.000 0.000 3/30000 740.0 0.389 0.637 0.372 0.000 0.000 0.000 3/30000 750.0 0.384 0.629 0.368 0.000 0.000 0.000 3/30000 760.0 0.379 0.622 0.363 0.000 0.000 0.000 3/30000 770.0 0.375 0.614 0.359 0.000 0.000 0.000 3/30000 780.0 0.370 0.607 0.355 0.000 0.000 0.000 3/30000 790.0 0.365 0.600 0.351 0.000 0.000 0.000 3/30000 800.0 0.361 0.593 0.347 0.000 0.000 0.000 3/30000 810.0 0.357 0.586 0.343 0.000 0.000 0.000 3/30000 820.0 0.352 0.580 0.339 0.000 0.000 0.000 3/30000 830.0 0.348 0.573 0.336 0.000 0.000 0.000 3/30000 840.0 0.344 0.567 0.332 0.000 0.000 0.000 3/30000 850.0 0.340 0.561 0.329 0.000 0.000 0.000 3/30000 860.0 0.336 0.555 0.325 0.000 0.000 0.000 3/30000 870.0 0.333 0.549 0.322 0.000 0.000 0.000 3/30000 880.0 0.329 0.543 0.319 0.000 0.000 0.000 3/30000 890.0 0.325 0.538 0.315 0.000 0.000 0.000 3/30000 900.0 0.322 0.532 0.312 0.000 0.000 0.000 3/30000 910.0 0.318 0.527 0.309 0.000 0.000 0.000 3/30000 920.0 0.315 0.522 0.306 0.000 0.000 0.000 3/30000 930.0 0.312 0.516 0.303 0.000 0.000 0.000 3/30000 940.0 0.309 0.511 0.300 0.000 0.000 0.000 3/30000 950.0 0.305 0.506 0.298 0.000 0.000 0.000 3/30000 960.0 0.302 0.502 0.295 0.000 0.000 0.000 3/30000 970.0 0.299 0.497 0.292 0.000 0.000 0.000 3/30000 980.0 0.296 0.492 0.289 0.000 0.000 0.000 3/30000 990.0 0.293 0.488 0.287 0.000 0.000 0.000 3/30000 1000.0 0.291 0.483 0.284 0.000 0.000 0.000 3/30000 Thermal conductivity related properties were written into "kappa-m5105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:03:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|