----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:45:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4bm (100) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.993152289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.993152289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.849915350000000 Atomic positions (fractional): *1 N 0.00000000000000 0.50000000000000 0.07677635442757 14.007 2 N 0.50000000000000 0.00000000000000 0.07677635442757 14.007 *3 N 0.84720437382759 0.34720437382759 0.69566862400865 14.007 4 N 0.65279562617241 0.84720437382759 0.69566862400865 14.007 5 N 0.34720437382759 0.15279562617241 0.69566862400865 14.007 6 N 0.15279562617241 0.65279562617241 0.69566862400865 14.007 *7 N 0.57782706579694 0.72527841382280 0.17650201197226 14.007 8 N 0.42217293420306 0.27472158617720 0.17650201197226 14.007 9 N 0.72527841382280 0.42217293420306 0.17650201197226 14.007 10 N 0.27472158617720 0.57782706579694 0.17650201197226 14.007 11 N 0.77472158617720 0.92217293420306 0.17650201197226 14.007 12 N 0.07782706579694 0.77472158617720 0.17650201197226 14.007 13 N 0.92217293420306 0.22527841382280 0.17650201197226 14.007 14 N 0.22527841382280 0.07782706579694 0.17650201197226 14.007 *15 N 0.68085157845016 0.57955566773507 0.65070827182009 14.007 16 N 0.31914842154984 0.42044433226493 0.65070827182009 14.007 17 N 0.57955566773507 0.31914842154984 0.65070827182009 14.007 18 N 0.42044433226493 0.68085157845016 0.65070827182009 14.007 19 N 0.07955566773507 0.18085157845016 0.65070827182009 14.007 20 N 0.81914842154984 0.07955566773507 0.65070827182009 14.007 21 N 0.18085157845016 0.92044433226493 0.65070827182009 14.007 22 N 0.92044433226493 0.81914842154984 0.65070827182009 14.007 *23 Si 0.88165200370284 0.38165200370283 0.04356954115965 28.085 24 Si 0.61834799629716 0.88165200370284 0.04356954115965 28.085 25 Si 0.38165200370283 0.11834799629716 0.04356954115965 28.085 26 Si 0.11834799629716 0.61834799629716 0.04356954115965 28.085 *27 Si 0.57958560041085 0.70842499662588 0.53211570641952 28.085 28 Si 0.42041439958915 0.29157500337412 0.53211570641952 28.085 29 Si 0.70842499662588 0.42041439958915 0.53211570641952 28.085 30 Si 0.29157500337412 0.57958560041085 0.53211570641952 28.085 31 Si 0.79157500337412 0.92041439958915 0.53211570641952 28.085 32 Si 0.07958560041085 0.79157500337412 0.53211570641952 28.085 33 Si 0.92041439958915 0.20842499662588 0.53211570641952 28.085 34 Si 0.20842499662588 0.07958560041085 0.53211570641952 28.085 *35 Sm 0.50000000000000 0.50000000000000 0.98114932103463 150.360 36 Sm 0.00000000000000 0.00000000000000 0.98114932103463 150.360 *37 Sm 0.31769163702599 0.81769163702599 0.99741698667686 150.360 38 Sm 0.18230836297401 0.31769163702599 0.99741698667686 150.360 39 Sm 0.81769163702599 0.68230836297401 0.99741698667686 150.360 40 Sm 0.68230836297401 0.18230836297401 0.99741698667686 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.993152289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.993152289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.849915350000000 Atomic positions (fractional): *1 N 0.00000000000000 0.50000000000000 0.07677635442757 14.007 > 1 2 N 0.50000000000000 0.00000000000000 0.07677635442757 14.007 > 2 *3 N 0.84720437382759 0.34720437382759 0.69566862400865 14.007 > 3 4 N 0.65279562617241 0.84720437382759 0.69566862400865 14.007 > 4 5 N 0.34720437382759 0.15279562617241 0.69566862400865 14.007 > 5 6 N 0.15279562617241 0.65279562617241 0.69566862400865 14.007 > 6 *7 N 0.57782706579694 0.72527841382280 0.17650201197226 14.007 > 7 8 N 0.42217293420306 0.27472158617720 0.17650201197226 14.007 > 8 9 N 0.72527841382280 0.42217293420306 0.17650201197226 14.007 > 9 10 N 0.27472158617720 0.57782706579694 0.17650201197226 14.007 > 10 11 N 0.77472158617720 0.92217293420306 0.17650201197226 14.007 > 11 12 N 0.07782706579694 0.77472158617720 0.17650201197226 14.007 > 12 13 N 0.92217293420306 0.22527841382280 0.17650201197226 14.007 > 13 14 N 0.22527841382280 0.07782706579694 0.17650201197226 14.007 > 14 *15 N 0.68085157845016 0.57955566773507 0.65070827182009 14.007 > 15 16 N 0.31914842154984 0.42044433226493 0.65070827182009 14.007 > 16 17 N 0.57955566773507 0.31914842154984 0.65070827182009 14.007 > 17 18 N 0.42044433226493 0.68085157845016 0.65070827182009 14.007 > 18 19 N 0.07955566773507 0.18085157845016 0.65070827182009 14.007 > 19 20 N 0.81914842154984 0.07955566773507 0.65070827182009 14.007 > 20 21 N 0.18085157845016 0.92044433226493 0.65070827182009 14.007 > 21 22 N 0.92044433226493 0.81914842154984 0.65070827182009 14.007 > 22 *23 Si 0.88165200370284 0.38165200370283 0.04356954115965 28.085 > 23 24 Si 0.61834799629716 0.88165200370284 0.04356954115965 28.085 > 24 25 Si 0.38165200370283 0.11834799629716 0.04356954115965 28.085 > 25 26 Si 0.11834799629716 0.61834799629716 0.04356954115965 28.085 > 26 *27 Si 0.57958560041085 0.70842499662588 0.53211570641952 28.085 > 27 28 Si 0.42041439958915 0.29157500337412 0.53211570641952 28.085 > 28 29 Si 0.70842499662588 0.42041439958915 0.53211570641952 28.085 > 29 30 Si 0.29157500337412 0.57958560041085 0.53211570641952 28.085 > 30 31 Si 0.79157500337412 0.92041439958915 0.53211570641952 28.085 > 31 32 Si 0.07958560041085 0.79157500337412 0.53211570641952 28.085 > 32 33 Si 0.92041439958915 0.20842499662588 0.53211570641952 28.085 > 33 34 Si 0.20842499662588 0.07958560041085 0.53211570641952 28.085 > 34 *35 Sm 0.50000000000000 0.50000000000000 0.98114932103463 150.360 > 35 36 Sm 0.00000000000000 0.00000000000000 0.98114932103463 150.360 > 36 *37 Sm 0.31769163702599 0.81769163702599 0.99741698667686 150.360 > 37 38 Sm 0.18230836297401 0.31769163702599 0.99741698667686 150.360 > 38 39 Sm 0.81769163702599 0.68230836297401 0.99741698667686 150.360 > 39 40 Sm 0.68230836297401 0.18230836297401 0.99741698667686 150.360 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.993152289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.993152289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.549746050000000 Atomic positions (fractional): *1 N 0.00000000000000 0.50000000000000 0.02559211814252 14.007 > 1 2 N 0.00000000000000 0.50000000000000 0.35892545147586 14.007 > 1 3 N 0.00000000000000 0.50000000000000 0.69225878480919 14.007 > 1 4 N 0.50000000000000 0.00000000000000 0.02559211814252 14.007 > 2 5 N 0.50000000000000 0.00000000000000 0.35892545147586 14.007 > 2 6 N 0.50000000000000 0.00000000000000 0.69225878480919 14.007 > 2 *7 N 0.84720437382759 0.34720437382759 0.23188954133622 14.007 > 3 8 N 0.84720437382759 0.34720437382759 0.56522287466955 14.007 > 3 9 N 0.84720437382759 0.34720437382759 0.89855620800288 14.007 > 3 10 N 0.65279562617241 0.84720437382759 0.23188954133622 14.007 > 4 11 N 0.65279562617241 0.84720437382759 0.56522287466955 14.007 > 4 12 N 0.65279562617241 0.84720437382759 0.89855620800288 14.007 > 4 13 N 0.34720437382759 0.15279562617241 0.23188954133622 14.007 > 5 14 N 0.34720437382759 0.15279562617241 0.56522287466955 14.007 > 5 15 N 0.34720437382759 0.15279562617241 0.89855620800288 14.007 > 5 16 N 0.15279562617241 0.65279562617241 0.23188954133622 14.007 > 6 17 N 0.15279562617241 0.65279562617241 0.56522287466955 14.007 > 6 18 N 0.15279562617241 0.65279562617241 0.89855620800288 14.007 > 6 *19 N 0.57782706579694 0.72527841382280 0.05883400399075 14.007 > 7 20 N 0.57782706579694 0.72527841382280 0.39216733732409 14.007 > 7 21 N 0.57782706579694 0.72527841382280 0.72550067065742 14.007 > 7 22 N 0.42217293420306 0.27472158617720 0.05883400399075 14.007 > 8 23 N 0.42217293420306 0.27472158617720 0.39216733732409 14.007 > 8 24 N 0.42217293420306 0.27472158617720 0.72550067065742 14.007 > 8 25 N 0.72527841382280 0.42217293420306 0.05883400399075 14.007 > 9 26 N 0.72527841382280 0.42217293420306 0.39216733732409 14.007 > 9 27 N 0.72527841382280 0.42217293420306 0.72550067065742 14.007 > 9 28 N 0.27472158617720 0.57782706579694 0.05883400399075 14.007 > 10 29 N 0.27472158617720 0.57782706579694 0.39216733732409 14.007 > 10 30 N 0.27472158617720 0.57782706579694 0.72550067065742 14.007 > 10 31 N 0.77472158617720 0.92217293420306 0.05883400399075 14.007 > 11 32 N 0.77472158617720 0.92217293420306 0.39216733732409 14.007 > 11 33 N 0.77472158617720 0.92217293420306 0.72550067065742 14.007 > 11 34 N 0.07782706579694 0.77472158617720 0.05883400399075 14.007 > 12 35 N 0.07782706579694 0.77472158617720 0.39216733732409 14.007 > 12 36 N 0.07782706579694 0.77472158617720 0.72550067065742 14.007 > 12 37 N 0.92217293420306 0.22527841382280 0.05883400399075 14.007 > 13 38 N 0.92217293420306 0.22527841382280 0.39216733732409 14.007 > 13 39 N 0.92217293420306 0.22527841382280 0.72550067065742 14.007 > 13 40 N 0.22527841382280 0.07782706579694 0.05883400399075 14.007 > 14 41 N 0.22527841382280 0.07782706579694 0.39216733732409 14.007 > 14 42 N 0.22527841382280 0.07782706579694 0.72550067065742 14.007 > 14 *43 N 0.68085157845016 0.57955566773507 0.21690275727336 14.007 > 15 44 N 0.68085157845016 0.57955566773507 0.55023609060670 14.007 > 15 45 N 0.68085157845016 0.57955566773507 0.88356942394003 14.007 > 15 46 N 0.31914842154984 0.42044433226493 0.21690275727336 14.007 > 16 47 N 0.31914842154984 0.42044433226493 0.55023609060670 14.007 > 16 48 N 0.31914842154984 0.42044433226493 0.88356942394003 14.007 > 16 49 N 0.57955566773507 0.31914842154984 0.21690275727336 14.007 > 17 50 N 0.57955566773507 0.31914842154984 0.55023609060670 14.007 > 17 51 N 0.57955566773507 0.31914842154984 0.88356942394003 14.007 > 17 52 N 0.42044433226493 0.68085157845016 0.21690275727336 14.007 > 18 53 N 0.42044433226493 0.68085157845016 0.55023609060670 14.007 > 18 54 N 0.42044433226493 0.68085157845016 0.88356942394003 14.007 > 18 55 N 0.07955566773507 0.18085157845016 0.21690275727336 14.007 > 19 56 N 0.07955566773507 0.18085157845016 0.55023609060670 14.007 > 19 57 N 0.07955566773507 0.18085157845016 0.88356942394003 14.007 > 19 58 N 0.81914842154984 0.07955566773507 0.21690275727336 14.007 > 20 59 N 0.81914842154984 0.07955566773507 0.55023609060670 14.007 > 20 60 N 0.81914842154984 0.07955566773507 0.88356942394003 14.007 > 20 61 N 0.18085157845016 0.92044433226493 0.21690275727336 14.007 > 21 62 N 0.18085157845016 0.92044433226493 0.55023609060670 14.007 > 21 63 N 0.18085157845016 0.92044433226493 0.88356942394003 14.007 > 21 64 N 0.92044433226493 0.81914842154984 0.21690275727336 14.007 > 22 65 N 0.92044433226493 0.81914842154984 0.55023609060670 14.007 > 22 66 N 0.92044433226493 0.81914842154984 0.88356942394003 14.007 > 22 *67 Si 0.88165200370284 0.38165200370283 0.01452318038655 28.085 > 23 68 Si 0.88165200370284 0.38165200370283 0.34785651371988 28.085 > 23 69 Si 0.88165200370284 0.38165200370283 0.68118984705322 28.085 > 23 70 Si 0.61834799629716 0.88165200370284 0.01452318038655 28.085 > 24 71 Si 0.61834799629716 0.88165200370284 0.34785651371988 28.085 > 24 72 Si 0.61834799629716 0.88165200370284 0.68118984705322 28.085 > 24 73 Si 0.38165200370283 0.11834799629716 0.01452318038655 28.085 > 25 74 Si 0.38165200370283 0.11834799629716 0.34785651371988 28.085 > 25 75 Si 0.38165200370283 0.11834799629716 0.68118984705322 28.085 > 25 76 Si 0.11834799629716 0.61834799629716 0.01452318038655 28.085 > 26 77 Si 0.11834799629716 0.61834799629716 0.34785651371988 28.085 > 26 78 Si 0.11834799629716 0.61834799629716 0.68118984705322 28.085 > 26 *79 Si 0.57958560041085 0.70842499662588 0.17737190213984 28.085 > 27 80 Si 0.57958560041085 0.70842499662588 0.51070523547317 28.085 > 27 81 Si 0.57958560041085 0.70842499662588 0.84403856880651 28.085 > 27 82 Si 0.42041439958915 0.29157500337412 0.17737190213984 28.085 > 28 83 Si 0.42041439958915 0.29157500337412 0.51070523547317 28.085 > 28 84 Si 0.42041439958915 0.29157500337412 0.84403856880651 28.085 > 28 85 Si 0.70842499662588 0.42041439958915 0.17737190213984 28.085 > 29 86 Si 0.70842499662588 0.42041439958915 0.51070523547317 28.085 > 29 87 Si 0.70842499662588 0.42041439958915 0.84403856880651 28.085 > 29 88 Si 0.29157500337412 0.57958560041085 0.17737190213984 28.085 > 30 89 Si 0.29157500337412 0.57958560041085 0.51070523547317 28.085 > 30 90 Si 0.29157500337412 0.57958560041085 0.84403856880651 28.085 > 30 91 Si 0.79157500337412 0.92041439958915 0.17737190213984 28.085 > 31 92 Si 0.79157500337412 0.92041439958915 0.51070523547317 28.085 > 31 93 Si 0.79157500337412 0.92041439958915 0.84403856880651 28.085 > 31 94 Si 0.07958560041085 0.79157500337412 0.17737190213984 28.085 > 32 95 Si 0.07958560041085 0.79157500337412 0.51070523547317 28.085 > 32 96 Si 0.07958560041085 0.79157500337412 0.84403856880651 28.085 > 32 97 Si 0.92041439958915 0.20842499662588 0.17737190213984 28.085 > 33 98 Si 0.92041439958915 0.20842499662588 0.51070523547317 28.085 > 33 99 Si 0.92041439958915 0.20842499662588 0.84403856880651 28.085 > 33 100 Si 0.20842499662588 0.07958560041085 0.17737190213984 28.085 > 34 101 Si 0.20842499662588 0.07958560041085 0.51070523547317 28.085 > 34 102 Si 0.20842499662588 0.07958560041085 0.84403856880651 28.085 > 34 *103 Sm 0.50000000000000 0.50000000000000 0.32704977367821 150.360 > 35 104 Sm 0.50000000000000 0.50000000000000 0.66038310701154 150.360 > 35 105 Sm 0.50000000000000 0.50000000000000 0.99371644034488 150.360 > 35 106 Sm 0.00000000000000 0.00000000000000 0.32704977367821 150.360 > 36 107 Sm 0.00000000000000 0.00000000000000 0.66038310701154 150.360 > 36 108 Sm 0.00000000000000 0.00000000000000 0.99371644034488 150.360 > 36 *109 Sm 0.31769163702599 0.81769163702599 0.33247232889229 150.360 > 37 110 Sm 0.31769163702599 0.81769163702599 0.66580566222562 150.360 > 37 111 Sm 0.31769163702599 0.81769163702599 0.99913899555895 150.360 > 37 112 Sm 0.18230836297401 0.31769163702599 0.33247232889229 150.360 > 38 113 Sm 0.18230836297401 0.31769163702599 0.66580566222562 150.360 > 38 114 Sm 0.18230836297401 0.31769163702599 0.99913899555895 150.360 > 38 115 Sm 0.81769163702599 0.68230836297401 0.33247232889229 150.360 > 39 116 Sm 0.81769163702599 0.68230836297401 0.66580566222562 150.360 > 39 117 Sm 0.81769163702599 0.68230836297401 0.99913899555895 150.360 > 39 118 Sm 0.68230836297401 0.18230836297401 0.33247232889229 150.360 > 40 119 Sm 0.68230836297401 0.18230836297401 0.66580566222562 150.360 > 40 120 Sm 0.68230836297401 0.18230836297401 0.99913899555895 150.360 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4973904 0.0000000 0.0000000 0.0000000 5.4973904 0.0000000 0.0000000 0.0000000 5.2120708 -------------------------- Born effective charges -------------------------- 1 N -3.7384531 -0.7253554 0.0000000 -0.7253554 -3.7384531 0.0000000 -0.0000000 -0.0000000 -1.2666024 2 N -3.7384531 0.7253554 0.0000000 0.7253554 -3.7384531 0.0000000 -0.0000000 -0.0000000 -1.2666024 3 N -2.3848900 0.4844272 -0.2573816 0.4844272 -2.3848900 -0.2573816 -0.1637668 -0.1637668 -3.0653471 4 N -2.3848900 -0.4844272 0.2573816 -0.4844272 -2.3848900 -0.2573816 0.1637668 -0.1637668 -3.0653471 5 N -2.3848900 -0.4844272 -0.2573816 -0.4844272 -2.3848900 0.2573816 -0.1637668 0.1637668 -3.0653471 6 N -2.3848900 0.4844272 0.2573816 0.4844272 -2.3848900 0.2573816 0.1637668 0.1637668 -3.0653471 7 N -2.4560373 -0.2722592 0.1187646 -0.2242426 -2.7116212 0.2690021 0.0530086 0.2608327 -3.0069512 8 N -2.4560373 -0.2722592 -0.1187646 -0.2242426 -2.7116212 -0.2690021 -0.0530086 -0.2608327 -3.0069512 9 N -2.7116212 0.2242426 0.2690021 0.2722592 -2.4560373 -0.1187646 0.2608327 -0.0530086 -3.0069512 10 N -2.7116212 0.2242426 -0.2690021 0.2722592 -2.4560373 0.1187646 -0.2608327 0.0530086 -3.0069512 11 N -2.7116212 -0.2242426 -0.2690021 -0.2722592 -2.4560373 -0.1187646 -0.2608327 -0.0530086 -3.0069512 12 N -2.4560373 0.2722592 0.1187646 0.2242426 -2.7116212 -0.2690021 0.0530086 -0.2608327 -3.0069512 13 N -2.4560373 0.2722592 -0.1187646 0.2242426 -2.7116212 0.2690021 -0.0530086 0.2608327 -3.0069512 14 N -2.7116212 -0.2242426 0.2690021 -0.2722592 -2.4560373 0.1187646 0.2608327 0.0530086 -3.0069512 15 N -2.4775836 -0.0198838 -0.1890381 0.0314822 -3.3161766 -0.2154835 -0.0927979 -0.2107446 -2.5688310 16 N -2.4775836 -0.0198838 0.1890381 0.0314822 -3.3161766 0.2154835 0.0927979 0.2107446 -2.5688310 17 N -3.3161766 -0.0314822 -0.2154835 0.0198838 -2.4775836 0.1890381 -0.2107446 0.0927979 -2.5688310 18 N -3.3161766 -0.0314822 0.2154835 0.0198838 -2.4775836 -0.1890381 0.2107446 -0.0927979 -2.5688310 19 N -3.3161766 0.0314822 -0.2154835 -0.0198838 -2.4775836 -0.1890381 -0.2107446 -0.0927979 -2.5688310 20 N -2.4775836 0.0198838 0.1890381 -0.0314822 -3.3161766 -0.2154835 0.0927979 -0.2107446 -2.5688310 21 N -2.4775836 0.0198838 -0.1890381 -0.0314822 -3.3161766 0.2154835 -0.0927979 0.2107446 -2.5688310 22 N -3.3161766 0.0314822 0.2154835 -0.0198838 -2.4775836 0.1890381 0.2107446 0.0927979 -2.5688310 23 Si 3.4521962 0.4537665 0.1054376 0.4537665 3.4521962 0.1054376 0.0044869 0.0044869 2.7549444 24 Si 3.4521962 -0.4537665 -0.1054376 -0.4537665 3.4521962 0.1054376 -0.0044869 0.0044869 2.7549444 25 Si 3.4521962 -0.4537665 0.1054376 -0.4537665 3.4521962 -0.1054376 0.0044869 -0.0044869 2.7549444 26 Si 3.4521962 0.4537665 -0.1054376 0.4537665 3.4521962 -0.1054376 -0.0044869 -0.0044869 2.7549444 27 Si 3.1847295 0.4240428 0.0087674 0.2399841 2.6409995 -0.3608207 0.0293049 -0.2432239 3.6635830 28 Si 3.1847295 0.4240428 -0.0087674 0.2399841 2.6409995 0.3608207 -0.0293049 0.2432239 3.6635830 29 Si 2.6409995 -0.2399841 -0.3608207 -0.4240428 3.1847295 -0.0087674 -0.2432239 -0.0293049 3.6635830 30 Si 2.6409995 -0.2399841 0.3608207 -0.4240428 3.1847295 0.0087674 0.2432239 0.0293049 3.6635830 31 Si 2.6409995 0.2399841 0.3608207 0.4240428 3.1847295 -0.0087674 0.2432239 -0.0293049 3.6635830 32 Si 3.1847295 -0.4240428 0.0087674 -0.2399841 2.6409995 0.3608207 0.0293049 0.2432239 3.6635830 33 Si 3.1847295 -0.4240428 -0.0087674 -0.2399841 2.6409995 -0.3608207 -0.0293049 -0.2432239 3.6635830 34 Si 2.6409995 0.2399841 -0.3608207 0.4240428 3.1847295 0.0087674 -0.2432239 0.0293049 3.6635830 35 Sm 3.7920794 -0.0662734 0.0000000 0.0662734 3.7920794 0.0000000 -0.0000000 -0.0000000 3.2491652 36 Sm 3.7920794 0.0662734 0.0000000 -0.0662734 3.7920794 0.0000000 -0.0000000 -0.0000000 3.2491652 37 Sm 4.0415702 -0.3120252 0.1541739 -0.3120252 4.0415702 0.1541739 0.1664511 0.1664511 3.1435199 38 Sm 4.0415702 0.3120252 -0.1541739 0.3120252 4.0415702 0.1541739 -0.1664511 0.1664511 3.1435199 39 Sm 4.0415702 0.3120252 0.1541739 0.3120252 4.0415702 -0.1541739 0.1664511 -0.1664511 3.1435199 40 Sm 4.0415702 -0.3120252 -0.1541739 -0.3120252 4.0415702 -0.1541739 -0.1664511 -0.1664511 3.1435199 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 21900/21900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2773 Number of blocks in projector: 2773 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 1188 Use submatrix version of eigh solver. (1) Block: 500 / 1188 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1188 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1188 / 1188 (1) 176 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 626 Use submatrix version of eigh solver. (1) Block: 500 / 626 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 626 / 626 (1) 116 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 4 --- Block_size: 615 Use submatrix version of eigh solver. (1) Block: 500 / 615 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 615 / 615 (1) 108 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 4 --- Block_size: 344 Use standard eigh solver. Tree of FC basis block matrices: - (2773, 2725), data: False |-- (344, 336), data: True |-- (615, 604), data: False |-- (615, 7), data: (615, 18) @ (18, 7) |-- (115, 108), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (626, 615), data: False |-- (626, 10), data: (626, 21) @ (21, 10) |-- (126, 116), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (1188, 1170), data: False |-- (1188, 30), data: (1188, 48) @ (48, 30) |-- (188, 176), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.829 Solver_block: 200 / 640 - Time: 0.761 Solver_block: 300 / 640 - Time: 0.759 Solver_block: 400 / 640 - Time: 0.764 Solver_block: 500 / 640 - Time: 0.758 Solver_block: 600 / 640 - Time: 0.770 Solver_block: 640 / 640 - Time: 0.393 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.147 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 21900/21900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2773 Number of blocks in projector: 2773 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 1188 Use submatrix version of eigh solver. (1) Block: 500 / 1188 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1188 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1188 / 1188 (1) 176 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 626 Use submatrix version of eigh solver. (1) Block: 500 / 626 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 626 / 626 (1) 116 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 4 --- Block_size: 615 Use submatrix version of eigh solver. (1) Block: 500 / 615 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 615 / 615 (1) 108 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 4 --- Block_size: 344 Use standard eigh solver. Tree of FC basis block matrices: - (2773, 2725), data: False |-- (344, 336), data: True |-- (615, 604), data: False |-- (615, 7), data: (615, 18) @ (18, 7) |-- (115, 108), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (626, 615), data: False |-- (626, 10), data: (626, 21) @ (21, 10) |-- (126, 116), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (1188, 1170), data: False |-- (1188, 30), data: (1188, 48) @ (48, 30) |-- (188, 176), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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 02:46:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:46:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4bm (100) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.993152289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.993152289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.849915350000000 Atomic positions (fractional): 1 N 0.00000000000000 0.50000000000000 0.07677635442757 14.007 2 N 0.50000000000000 0.00000000000000 0.07677635442757 14.007 3 N 0.84720437382759 0.34720437382759 0.69566862400865 14.007 4 N 0.65279562617241 0.84720437382759 0.69566862400865 14.007 5 N 0.34720437382759 0.15279562617241 0.69566862400865 14.007 6 N 0.15279562617241 0.65279562617241 0.69566862400865 14.007 7 N 0.57782706579694 0.72527841382280 0.17650201197226 14.007 8 N 0.42217293420306 0.27472158617720 0.17650201197226 14.007 9 N 0.72527841382280 0.42217293420306 0.17650201197226 14.007 10 N 0.27472158617720 0.57782706579694 0.17650201197226 14.007 11 N 0.77472158617720 0.92217293420306 0.17650201197226 14.007 12 N 0.07782706579694 0.77472158617720 0.17650201197226 14.007 13 N 0.92217293420306 0.22527841382280 0.17650201197226 14.007 14 N 0.22527841382280 0.07782706579694 0.17650201197226 14.007 15 N 0.68085157845016 0.57955566773507 0.65070827182009 14.007 16 N 0.31914842154984 0.42044433226493 0.65070827182009 14.007 17 N 0.57955566773507 0.31914842154984 0.65070827182009 14.007 18 N 0.42044433226493 0.68085157845016 0.65070827182009 14.007 19 N 0.07955566773507 0.18085157845016 0.65070827182009 14.007 20 N 0.81914842154984 0.07955566773507 0.65070827182009 14.007 21 N 0.18085157845016 0.92044433226493 0.65070827182009 14.007 22 N 0.92044433226493 0.81914842154984 0.65070827182009 14.007 23 Si 0.88165200370284 0.38165200370283 0.04356954115965 28.085 24 Si 0.61834799629716 0.88165200370284 0.04356954115965 28.085 25 Si 0.38165200370283 0.11834799629716 0.04356954115965 28.085 26 Si 0.11834799629716 0.61834799629716 0.04356954115965 28.085 27 Si 0.57958560041085 0.70842499662588 0.53211570641952 28.085 28 Si 0.42041439958915 0.29157500337412 0.53211570641952 28.085 29 Si 0.70842499662588 0.42041439958915 0.53211570641952 28.085 30 Si 0.29157500337412 0.57958560041085 0.53211570641952 28.085 31 Si 0.79157500337412 0.92041439958915 0.53211570641952 28.085 32 Si 0.07958560041085 0.79157500337412 0.53211570641952 28.085 33 Si 0.92041439958915 0.20842499662588 0.53211570641952 28.085 34 Si 0.20842499662588 0.07958560041085 0.53211570641952 28.085 35 Sm 0.50000000000000 0.50000000000000 0.98114932103463 150.360 36 Sm 0.00000000000000 0.00000000000000 0.98114932103463 150.360 37 Sm 0.31769163702599 0.81769163702599 0.99741698667686 150.360 38 Sm 0.18230836297401 0.31769163702599 0.99741698667686 150.360 39 Sm 0.81769163702599 0.68230836297401 0.99741698667686 150.360 40 Sm 0.68230836297401 0.18230836297401 0.99741698667686 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.993152289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.993152289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.549746050000000 Atomic positions (fractional): 1 N 0.00000000000000 0.50000000000000 0.02559211814252 14.007 > 1 2 N 0.00000000000000 0.50000000000000 0.35892545147586 14.007 > 1 3 N 0.00000000000000 0.50000000000000 0.69225878480919 14.007 > 1 4 N 0.50000000000000 0.00000000000000 0.02559211814252 14.007 > 4 5 N 0.50000000000000 0.00000000000000 0.35892545147586 14.007 > 4 6 N 0.50000000000000 0.00000000000000 0.69225878480919 14.007 > 4 7 N 0.84720437382759 0.34720437382759 0.23188954133622 14.007 > 7 8 N 0.84720437382759 0.34720437382759 0.56522287466955 14.007 > 7 9 N 0.84720437382759 0.34720437382759 0.89855620800288 14.007 > 7 10 N 0.65279562617241 0.84720437382759 0.23188954133622 14.007 > 10 11 N 0.65279562617241 0.84720437382759 0.56522287466955 14.007 > 10 12 N 0.65279562617241 0.84720437382759 0.89855620800288 14.007 > 10 13 N 0.34720437382759 0.15279562617241 0.23188954133622 14.007 > 13 14 N 0.34720437382759 0.15279562617241 0.56522287466955 14.007 > 13 15 N 0.34720437382759 0.15279562617241 0.89855620800288 14.007 > 13 16 N 0.15279562617241 0.65279562617241 0.23188954133622 14.007 > 16 17 N 0.15279562617241 0.65279562617241 0.56522287466955 14.007 > 16 18 N 0.15279562617241 0.65279562617241 0.89855620800288 14.007 > 16 19 N 0.57782706579694 0.72527841382280 0.05883400399075 14.007 > 19 20 N 0.57782706579694 0.72527841382280 0.39216733732409 14.007 > 19 21 N 0.57782706579694 0.72527841382280 0.72550067065742 14.007 > 19 22 N 0.42217293420306 0.27472158617720 0.05883400399075 14.007 > 22 23 N 0.42217293420306 0.27472158617720 0.39216733732409 14.007 > 22 24 N 0.42217293420306 0.27472158617720 0.72550067065742 14.007 > 22 25 N 0.72527841382280 0.42217293420306 0.05883400399075 14.007 > 25 26 N 0.72527841382280 0.42217293420306 0.39216733732409 14.007 > 25 27 N 0.72527841382280 0.42217293420306 0.72550067065742 14.007 > 25 28 N 0.27472158617720 0.57782706579694 0.05883400399075 14.007 > 28 29 N 0.27472158617720 0.57782706579694 0.39216733732409 14.007 > 28 30 N 0.27472158617720 0.57782706579694 0.72550067065742 14.007 > 28 31 N 0.77472158617720 0.92217293420306 0.05883400399075 14.007 > 31 32 N 0.77472158617720 0.92217293420306 0.39216733732409 14.007 > 31 33 N 0.77472158617720 0.92217293420306 0.72550067065742 14.007 > 31 34 N 0.07782706579694 0.77472158617720 0.05883400399075 14.007 > 34 35 N 0.07782706579694 0.77472158617720 0.39216733732409 14.007 > 34 36 N 0.07782706579694 0.77472158617720 0.72550067065742 14.007 > 34 37 N 0.92217293420306 0.22527841382280 0.05883400399075 14.007 > 37 38 N 0.92217293420306 0.22527841382280 0.39216733732409 14.007 > 37 39 N 0.92217293420306 0.22527841382280 0.72550067065742 14.007 > 37 40 N 0.22527841382280 0.07782706579694 0.05883400399075 14.007 > 40 41 N 0.22527841382280 0.07782706579694 0.39216733732409 14.007 > 40 42 N 0.22527841382280 0.07782706579694 0.72550067065742 14.007 > 40 43 N 0.68085157845016 0.57955566773507 0.21690275727336 14.007 > 43 44 N 0.68085157845016 0.57955566773507 0.55023609060670 14.007 > 43 45 N 0.68085157845016 0.57955566773507 0.88356942394003 14.007 > 43 46 N 0.31914842154984 0.42044433226493 0.21690275727336 14.007 > 46 47 N 0.31914842154984 0.42044433226493 0.55023609060670 14.007 > 46 48 N 0.31914842154984 0.42044433226493 0.88356942394003 14.007 > 46 49 N 0.57955566773507 0.31914842154984 0.21690275727336 14.007 > 49 50 N 0.57955566773507 0.31914842154984 0.55023609060670 14.007 > 49 51 N 0.57955566773507 0.31914842154984 0.88356942394003 14.007 > 49 52 N 0.42044433226493 0.68085157845016 0.21690275727336 14.007 > 52 53 N 0.42044433226493 0.68085157845016 0.55023609060670 14.007 > 52 54 N 0.42044433226493 0.68085157845016 0.88356942394003 14.007 > 52 55 N 0.07955566773507 0.18085157845016 0.21690275727336 14.007 > 55 56 N 0.07955566773507 0.18085157845016 0.55023609060670 14.007 > 55 57 N 0.07955566773507 0.18085157845016 0.88356942394003 14.007 > 55 58 N 0.81914842154984 0.07955566773507 0.21690275727336 14.007 > 58 59 N 0.81914842154984 0.07955566773507 0.55023609060670 14.007 > 58 60 N 0.81914842154984 0.07955566773507 0.88356942394003 14.007 > 58 61 N 0.18085157845016 0.92044433226493 0.21690275727336 14.007 > 61 62 N 0.18085157845016 0.92044433226493 0.55023609060670 14.007 > 61 63 N 0.18085157845016 0.92044433226493 0.88356942394003 14.007 > 61 64 N 0.92044433226493 0.81914842154984 0.21690275727336 14.007 > 64 65 N 0.92044433226493 0.81914842154984 0.55023609060670 14.007 > 64 66 N 0.92044433226493 0.81914842154984 0.88356942394003 14.007 > 64 67 Si 0.88165200370284 0.38165200370283 0.01452318038655 28.085 > 67 68 Si 0.88165200370284 0.38165200370283 0.34785651371988 28.085 > 67 69 Si 0.88165200370284 0.38165200370283 0.68118984705322 28.085 > 67 70 Si 0.61834799629716 0.88165200370284 0.01452318038655 28.085 > 70 71 Si 0.61834799629716 0.88165200370284 0.34785651371988 28.085 > 70 72 Si 0.61834799629716 0.88165200370284 0.68118984705322 28.085 > 70 73 Si 0.38165200370283 0.11834799629716 0.01452318038655 28.085 > 73 74 Si 0.38165200370283 0.11834799629716 0.34785651371988 28.085 > 73 75 Si 0.38165200370283 0.11834799629716 0.68118984705322 28.085 > 73 76 Si 0.11834799629716 0.61834799629716 0.01452318038655 28.085 > 76 77 Si 0.11834799629716 0.61834799629716 0.34785651371988 28.085 > 76 78 Si 0.11834799629716 0.61834799629716 0.68118984705322 28.085 > 76 79 Si 0.57958560041085 0.70842499662588 0.17737190213984 28.085 > 79 80 Si 0.57958560041085 0.70842499662588 0.51070523547317 28.085 > 79 81 Si 0.57958560041085 0.70842499662588 0.84403856880651 28.085 > 79 82 Si 0.42041439958915 0.29157500337412 0.17737190213984 28.085 > 82 83 Si 0.42041439958915 0.29157500337412 0.51070523547317 28.085 > 82 84 Si 0.42041439958915 0.29157500337412 0.84403856880651 28.085 > 82 85 Si 0.70842499662588 0.42041439958915 0.17737190213984 28.085 > 85 86 Si 0.70842499662588 0.42041439958915 0.51070523547317 28.085 > 85 87 Si 0.70842499662588 0.42041439958915 0.84403856880651 28.085 > 85 88 Si 0.29157500337412 0.57958560041085 0.17737190213984 28.085 > 88 89 Si 0.29157500337412 0.57958560041085 0.51070523547317 28.085 > 88 90 Si 0.29157500337412 0.57958560041085 0.84403856880651 28.085 > 88 91 Si 0.79157500337412 0.92041439958915 0.17737190213984 28.085 > 91 92 Si 0.79157500337412 0.92041439958915 0.51070523547317 28.085 > 91 93 Si 0.79157500337412 0.92041439958915 0.84403856880651 28.085 > 91 94 Si 0.07958560041085 0.79157500337412 0.17737190213984 28.085 > 94 95 Si 0.07958560041085 0.79157500337412 0.51070523547317 28.085 > 94 96 Si 0.07958560041085 0.79157500337412 0.84403856880651 28.085 > 94 97 Si 0.92041439958915 0.20842499662588 0.17737190213984 28.085 > 97 98 Si 0.92041439958915 0.20842499662588 0.51070523547317 28.085 > 97 99 Si 0.92041439958915 0.20842499662588 0.84403856880651 28.085 > 97 100 Si 0.20842499662588 0.07958560041085 0.17737190213984 28.085 > 100 101 Si 0.20842499662588 0.07958560041085 0.51070523547317 28.085 > 100 102 Si 0.20842499662588 0.07958560041085 0.84403856880651 28.085 > 100 103 Sm 0.50000000000000 0.50000000000000 0.32704977367821 150.360 > 103 104 Sm 0.50000000000000 0.50000000000000 0.66038310701154 150.360 > 103 105 Sm 0.50000000000000 0.50000000000000 0.99371644034488 150.360 > 103 106 Sm 0.00000000000000 0.00000000000000 0.32704977367821 150.360 > 106 107 Sm 0.00000000000000 0.00000000000000 0.66038310701154 150.360 > 106 108 Sm 0.00000000000000 0.00000000000000 0.99371644034488 150.360 > 106 109 Sm 0.31769163702599 0.81769163702599 0.33247232889229 150.360 > 109 110 Sm 0.31769163702599 0.81769163702599 0.66580566222562 150.360 > 109 111 Sm 0.31769163702599 0.81769163702599 0.99913899555895 150.360 > 109 112 Sm 0.18230836297401 0.31769163702599 0.33247232889229 150.360 > 112 113 Sm 0.18230836297401 0.31769163702599 0.66580566222562 150.360 > 112 114 Sm 0.18230836297401 0.31769163702599 0.99913899555895 150.360 > 112 115 Sm 0.81769163702599 0.68230836297401 0.33247232889229 150.360 > 115 116 Sm 0.81769163702599 0.68230836297401 0.66580566222562 150.360 > 115 117 Sm 0.81769163702599 0.68230836297401 0.99913899555895 150.360 > 115 118 Sm 0.68230836297401 0.18230836297401 0.33247232889229 150.360 > 118 119 Sm 0.68230836297401 0.18230836297401 0.66580566222562 150.360 > 118 120 Sm 0.68230836297401 0.18230836297401 0.99913899555895 150.360 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4973904 0.0000000 0.0000000 0.0000000 5.4973904 0.0000000 0.0000000 0.0000000 5.2120708 -------------------------- Born effective charges -------------------------- 1 N -3.7384531 -0.7253554 0.0000000 -0.7253554 -3.7384531 0.0000000 -0.0000000 -0.0000000 -1.2666024 2 N -3.7384531 0.7253554 0.0000000 0.7253554 -3.7384531 0.0000000 -0.0000000 -0.0000000 -1.2666024 3 N -2.3848900 0.4844272 -0.2573816 0.4844272 -2.3848900 -0.2573816 -0.1637668 -0.1637668 -3.0653471 4 N -2.3848900 -0.4844272 0.2573816 -0.4844272 -2.3848900 -0.2573816 0.1637668 -0.1637668 -3.0653471 5 N -2.3848900 -0.4844272 -0.2573816 -0.4844272 -2.3848900 0.2573816 -0.1637668 0.1637668 -3.0653471 6 N -2.3848900 0.4844272 0.2573816 0.4844272 -2.3848900 0.2573816 0.1637668 0.1637668 -3.0653471 7 N -2.4560373 -0.2722592 0.1187646 -0.2242426 -2.7116212 0.2690021 0.0530086 0.2608327 -3.0069512 8 N -2.4560373 -0.2722592 -0.1187646 -0.2242426 -2.7116212 -0.2690021 -0.0530086 -0.2608327 -3.0069512 9 N -2.7116212 0.2242426 0.2690021 0.2722592 -2.4560373 -0.1187646 0.2608327 -0.0530086 -3.0069512 10 N -2.7116212 0.2242426 -0.2690021 0.2722592 -2.4560373 0.1187646 -0.2608327 0.0530086 -3.0069512 11 N -2.7116212 -0.2242426 -0.2690021 -0.2722592 -2.4560373 -0.1187646 -0.2608327 -0.0530086 -3.0069512 12 N -2.4560373 0.2722592 0.1187646 0.2242426 -2.7116212 -0.2690021 0.0530086 -0.2608327 -3.0069512 13 N -2.4560373 0.2722592 -0.1187646 0.2242426 -2.7116212 0.2690021 -0.0530086 0.2608327 -3.0069512 14 N -2.7116212 -0.2242426 0.2690021 -0.2722592 -2.4560373 0.1187646 0.2608327 0.0530086 -3.0069512 15 N -2.4775836 -0.0198838 -0.1890381 0.0314822 -3.3161766 -0.2154835 -0.0927979 -0.2107446 -2.5688310 16 N -2.4775836 -0.0198838 0.1890381 0.0314822 -3.3161766 0.2154835 0.0927979 0.2107446 -2.5688310 17 N -3.3161766 -0.0314822 -0.2154835 0.0198838 -2.4775836 0.1890381 -0.2107446 0.0927979 -2.5688310 18 N -3.3161766 -0.0314822 0.2154835 0.0198838 -2.4775836 -0.1890381 0.2107446 -0.0927979 -2.5688310 19 N -3.3161766 0.0314822 -0.2154835 -0.0198838 -2.4775836 -0.1890381 -0.2107446 -0.0927979 -2.5688310 20 N -2.4775836 0.0198838 0.1890381 -0.0314822 -3.3161766 -0.2154835 0.0927979 -0.2107446 -2.5688310 21 N -2.4775836 0.0198838 -0.1890381 -0.0314822 -3.3161766 0.2154835 -0.0927979 0.2107446 -2.5688310 22 N -3.3161766 0.0314822 0.2154835 -0.0198838 -2.4775836 0.1890381 0.2107446 0.0927979 -2.5688310 23 Si 3.4521962 0.4537665 0.1054376 0.4537665 3.4521962 0.1054376 0.0044869 0.0044869 2.7549444 24 Si 3.4521962 -0.4537665 -0.1054376 -0.4537665 3.4521962 0.1054376 -0.0044869 0.0044869 2.7549444 25 Si 3.4521962 -0.4537665 0.1054376 -0.4537665 3.4521962 -0.1054376 0.0044869 -0.0044869 2.7549444 26 Si 3.4521962 0.4537665 -0.1054376 0.4537665 3.4521962 -0.1054376 -0.0044869 -0.0044869 2.7549444 27 Si 3.1847295 0.4240428 0.0087674 0.2399841 2.6409995 -0.3608207 0.0293049 -0.2432239 3.6635830 28 Si 3.1847295 0.4240428 -0.0087674 0.2399841 2.6409995 0.3608207 -0.0293049 0.2432239 3.6635830 29 Si 2.6409995 -0.2399841 -0.3608207 -0.4240428 3.1847295 -0.0087674 -0.2432239 -0.0293049 3.6635830 30 Si 2.6409995 -0.2399841 0.3608207 -0.4240428 3.1847295 0.0087674 0.2432239 0.0293049 3.6635830 31 Si 2.6409995 0.2399841 0.3608207 0.4240428 3.1847295 -0.0087674 0.2432239 -0.0293049 3.6635830 32 Si 3.1847295 -0.4240428 0.0087674 -0.2399841 2.6409995 0.3608207 0.0293049 0.2432239 3.6635830 33 Si 3.1847295 -0.4240428 -0.0087674 -0.2399841 2.6409995 -0.3608207 -0.0293049 -0.2432239 3.6635830 34 Si 2.6409995 0.2399841 -0.3608207 0.4240428 3.1847295 0.0087674 -0.2432239 0.0293049 3.6635830 35 Sm 3.7920794 -0.0662734 0.0000000 0.0662734 3.7920794 0.0000000 -0.0000000 -0.0000000 3.2491652 36 Sm 3.7920794 0.0662734 0.0000000 -0.0662734 3.7920794 0.0000000 -0.0000000 -0.0000000 3.2491652 37 Sm 4.0415702 -0.3120252 0.1541739 -0.3120252 4.0415702 0.1541739 0.1664511 0.1664511 3.1435199 38 Sm 4.0415702 0.3120252 -0.1541739 0.3120252 4.0415702 0.1541739 -0.1664511 0.1664511 3.1435199 39 Sm 4.0415702 0.3120252 0.1541739 0.3120252 4.0415702 -0.1541739 0.1664511 -0.1664511 3.1435199 40 Sm 4.0415702 -0.3120252 -0.1541739 -0.3120252 4.0415702 -0.1541739 -0.1664511 -0.1664511 3.1435199 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, 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[ 103, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 02:46:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:46:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4bm (100) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.993152289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.993152289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.849915350000000 Atomic positions (fractional): 1 N 0.00000000000000 0.50000000000000 0.07677635442757 14.007 2 N 0.50000000000000 0.00000000000000 0.07677635442757 14.007 3 N 0.84720437382759 0.34720437382759 0.69566862400865 14.007 4 N 0.65279562617241 0.84720437382759 0.69566862400865 14.007 5 N 0.34720437382759 0.15279562617241 0.69566862400865 14.007 6 N 0.15279562617241 0.65279562617241 0.69566862400865 14.007 7 N 0.57782706579694 0.72527841382280 0.17650201197226 14.007 8 N 0.42217293420306 0.27472158617720 0.17650201197226 14.007 9 N 0.72527841382280 0.42217293420306 0.17650201197226 14.007 10 N 0.27472158617720 0.57782706579694 0.17650201197226 14.007 11 N 0.77472158617720 0.92217293420306 0.17650201197226 14.007 12 N 0.07782706579694 0.77472158617720 0.17650201197226 14.007 13 N 0.92217293420306 0.22527841382280 0.17650201197226 14.007 14 N 0.22527841382280 0.07782706579694 0.17650201197226 14.007 15 N 0.68085157845016 0.57955566773507 0.65070827182009 14.007 16 N 0.31914842154984 0.42044433226493 0.65070827182009 14.007 17 N 0.57955566773507 0.31914842154984 0.65070827182009 14.007 18 N 0.42044433226493 0.68085157845016 0.65070827182009 14.007 19 N 0.07955566773507 0.18085157845016 0.65070827182009 14.007 20 N 0.81914842154984 0.07955566773507 0.65070827182009 14.007 21 N 0.18085157845016 0.92044433226493 0.65070827182009 14.007 22 N 0.92044433226493 0.81914842154984 0.65070827182009 14.007 23 Si 0.88165200370284 0.38165200370283 0.04356954115965 28.085 24 Si 0.61834799629716 0.88165200370284 0.04356954115965 28.085 25 Si 0.38165200370283 0.11834799629716 0.04356954115965 28.085 26 Si 0.11834799629716 0.61834799629716 0.04356954115965 28.085 27 Si 0.57958560041085 0.70842499662588 0.53211570641952 28.085 28 Si 0.42041439958915 0.29157500337412 0.53211570641952 28.085 29 Si 0.70842499662588 0.42041439958915 0.53211570641952 28.085 30 Si 0.29157500337412 0.57958560041085 0.53211570641952 28.085 31 Si 0.79157500337412 0.92041439958915 0.53211570641952 28.085 32 Si 0.07958560041085 0.79157500337412 0.53211570641952 28.085 33 Si 0.92041439958915 0.20842499662588 0.53211570641952 28.085 34 Si 0.20842499662588 0.07958560041085 0.53211570641952 28.085 35 Sm 0.50000000000000 0.50000000000000 0.98114932103463 150.360 36 Sm 0.00000000000000 0.00000000000000 0.98114932103463 150.360 37 Sm 0.31769163702599 0.81769163702599 0.99741698667686 150.360 38 Sm 0.18230836297401 0.31769163702599 0.99741698667686 150.360 39 Sm 0.81769163702599 0.68230836297401 0.99741698667686 150.360 40 Sm 0.68230836297401 0.18230836297401 0.99741698667686 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.993152289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.993152289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.549746050000000 Atomic positions (fractional): 1 N 0.00000000000000 0.50000000000000 0.02559211814252 14.007 > 1 2 N 0.00000000000000 0.50000000000000 0.35892545147586 14.007 > 1 3 N 0.00000000000000 0.50000000000000 0.69225878480919 14.007 > 1 4 N 0.50000000000000 0.00000000000000 0.02559211814252 14.007 > 4 5 N 0.50000000000000 0.00000000000000 0.35892545147586 14.007 > 4 6 N 0.50000000000000 0.00000000000000 0.69225878480919 14.007 > 4 7 N 0.84720437382759 0.34720437382759 0.23188954133622 14.007 > 7 8 N 0.84720437382759 0.34720437382759 0.56522287466955 14.007 > 7 9 N 0.84720437382759 0.34720437382759 0.89855620800288 14.007 > 7 10 N 0.65279562617241 0.84720437382759 0.23188954133622 14.007 > 10 11 N 0.65279562617241 0.84720437382759 0.56522287466955 14.007 > 10 12 N 0.65279562617241 0.84720437382759 0.89855620800288 14.007 > 10 13 N 0.34720437382759 0.15279562617241 0.23188954133622 14.007 > 13 14 N 0.34720437382759 0.15279562617241 0.56522287466955 14.007 > 13 15 N 0.34720437382759 0.15279562617241 0.89855620800288 14.007 > 13 16 N 0.15279562617241 0.65279562617241 0.23188954133622 14.007 > 16 17 N 0.15279562617241 0.65279562617241 0.56522287466955 14.007 > 16 18 N 0.15279562617241 0.65279562617241 0.89855620800288 14.007 > 16 19 N 0.57782706579694 0.72527841382280 0.05883400399075 14.007 > 19 20 N 0.57782706579694 0.72527841382280 0.39216733732409 14.007 > 19 21 N 0.57782706579694 0.72527841382280 0.72550067065742 14.007 > 19 22 N 0.42217293420306 0.27472158617720 0.05883400399075 14.007 > 22 23 N 0.42217293420306 0.27472158617720 0.39216733732409 14.007 > 22 24 N 0.42217293420306 0.27472158617720 0.72550067065742 14.007 > 22 25 N 0.72527841382280 0.42217293420306 0.05883400399075 14.007 > 25 26 N 0.72527841382280 0.42217293420306 0.39216733732409 14.007 > 25 27 N 0.72527841382280 0.42217293420306 0.72550067065742 14.007 > 25 28 N 0.27472158617720 0.57782706579694 0.05883400399075 14.007 > 28 29 N 0.27472158617720 0.57782706579694 0.39216733732409 14.007 > 28 30 N 0.27472158617720 0.57782706579694 0.72550067065742 14.007 > 28 31 N 0.77472158617720 0.92217293420306 0.05883400399075 14.007 > 31 32 N 0.77472158617720 0.92217293420306 0.39216733732409 14.007 > 31 33 N 0.77472158617720 0.92217293420306 0.72550067065742 14.007 > 31 34 N 0.07782706579694 0.77472158617720 0.05883400399075 14.007 > 34 35 N 0.07782706579694 0.77472158617720 0.39216733732409 14.007 > 34 36 N 0.07782706579694 0.77472158617720 0.72550067065742 14.007 > 34 37 N 0.92217293420306 0.22527841382280 0.05883400399075 14.007 > 37 38 N 0.92217293420306 0.22527841382280 0.39216733732409 14.007 > 37 39 N 0.92217293420306 0.22527841382280 0.72550067065742 14.007 > 37 40 N 0.22527841382280 0.07782706579694 0.05883400399075 14.007 > 40 41 N 0.22527841382280 0.07782706579694 0.39216733732409 14.007 > 40 42 N 0.22527841382280 0.07782706579694 0.72550067065742 14.007 > 40 43 N 0.68085157845016 0.57955566773507 0.21690275727336 14.007 > 43 44 N 0.68085157845016 0.57955566773507 0.55023609060670 14.007 > 43 45 N 0.68085157845016 0.57955566773507 0.88356942394003 14.007 > 43 46 N 0.31914842154984 0.42044433226493 0.21690275727336 14.007 > 46 47 N 0.31914842154984 0.42044433226493 0.55023609060670 14.007 > 46 48 N 0.31914842154984 0.42044433226493 0.88356942394003 14.007 > 46 49 N 0.57955566773507 0.31914842154984 0.21690275727336 14.007 > 49 50 N 0.57955566773507 0.31914842154984 0.55023609060670 14.007 > 49 51 N 0.57955566773507 0.31914842154984 0.88356942394003 14.007 > 49 52 N 0.42044433226493 0.68085157845016 0.21690275727336 14.007 > 52 53 N 0.42044433226493 0.68085157845016 0.55023609060670 14.007 > 52 54 N 0.42044433226493 0.68085157845016 0.88356942394003 14.007 > 52 55 N 0.07955566773507 0.18085157845016 0.21690275727336 14.007 > 55 56 N 0.07955566773507 0.18085157845016 0.55023609060670 14.007 > 55 57 N 0.07955566773507 0.18085157845016 0.88356942394003 14.007 > 55 58 N 0.81914842154984 0.07955566773507 0.21690275727336 14.007 > 58 59 N 0.81914842154984 0.07955566773507 0.55023609060670 14.007 > 58 60 N 0.81914842154984 0.07955566773507 0.88356942394003 14.007 > 58 61 N 0.18085157845016 0.92044433226493 0.21690275727336 14.007 > 61 62 N 0.18085157845016 0.92044433226493 0.55023609060670 14.007 > 61 63 N 0.18085157845016 0.92044433226493 0.88356942394003 14.007 > 61 64 N 0.92044433226493 0.81914842154984 0.21690275727336 14.007 > 64 65 N 0.92044433226493 0.81914842154984 0.55023609060670 14.007 > 64 66 N 0.92044433226493 0.81914842154984 0.88356942394003 14.007 > 64 67 Si 0.88165200370284 0.38165200370283 0.01452318038655 28.085 > 67 68 Si 0.88165200370284 0.38165200370283 0.34785651371988 28.085 > 67 69 Si 0.88165200370284 0.38165200370283 0.68118984705322 28.085 > 67 70 Si 0.61834799629716 0.88165200370284 0.01452318038655 28.085 > 70 71 Si 0.61834799629716 0.88165200370284 0.34785651371988 28.085 > 70 72 Si 0.61834799629716 0.88165200370284 0.68118984705322 28.085 > 70 73 Si 0.38165200370283 0.11834799629716 0.01452318038655 28.085 > 73 74 Si 0.38165200370283 0.11834799629716 0.34785651371988 28.085 > 73 75 Si 0.38165200370283 0.11834799629716 0.68118984705322 28.085 > 73 76 Si 0.11834799629716 0.61834799629716 0.01452318038655 28.085 > 76 77 Si 0.11834799629716 0.61834799629716 0.34785651371988 28.085 > 76 78 Si 0.11834799629716 0.61834799629716 0.68118984705322 28.085 > 76 79 Si 0.57958560041085 0.70842499662588 0.17737190213984 28.085 > 79 80 Si 0.57958560041085 0.70842499662588 0.51070523547317 28.085 > 79 81 Si 0.57958560041085 0.70842499662588 0.84403856880651 28.085 > 79 82 Si 0.42041439958915 0.29157500337412 0.17737190213984 28.085 > 82 83 Si 0.42041439958915 0.29157500337412 0.51070523547317 28.085 > 82 84 Si 0.42041439958915 0.29157500337412 0.84403856880651 28.085 > 82 85 Si 0.70842499662588 0.42041439958915 0.17737190213984 28.085 > 85 86 Si 0.70842499662588 0.42041439958915 0.51070523547317 28.085 > 85 87 Si 0.70842499662588 0.42041439958915 0.84403856880651 28.085 > 85 88 Si 0.29157500337412 0.57958560041085 0.17737190213984 28.085 > 88 89 Si 0.29157500337412 0.57958560041085 0.51070523547317 28.085 > 88 90 Si 0.29157500337412 0.57958560041085 0.84403856880651 28.085 > 88 91 Si 0.79157500337412 0.92041439958915 0.17737190213984 28.085 > 91 92 Si 0.79157500337412 0.92041439958915 0.51070523547317 28.085 > 91 93 Si 0.79157500337412 0.92041439958915 0.84403856880651 28.085 > 91 94 Si 0.07958560041085 0.79157500337412 0.17737190213984 28.085 > 94 95 Si 0.07958560041085 0.79157500337412 0.51070523547317 28.085 > 94 96 Si 0.07958560041085 0.79157500337412 0.84403856880651 28.085 > 94 97 Si 0.92041439958915 0.20842499662588 0.17737190213984 28.085 > 97 98 Si 0.92041439958915 0.20842499662588 0.51070523547317 28.085 > 97 99 Si 0.92041439958915 0.20842499662588 0.84403856880651 28.085 > 97 100 Si 0.20842499662588 0.07958560041085 0.17737190213984 28.085 > 100 101 Si 0.20842499662588 0.07958560041085 0.51070523547317 28.085 > 100 102 Si 0.20842499662588 0.07958560041085 0.84403856880651 28.085 > 100 103 Sm 0.50000000000000 0.50000000000000 0.32704977367821 150.360 > 103 104 Sm 0.50000000000000 0.50000000000000 0.66038310701154 150.360 > 103 105 Sm 0.50000000000000 0.50000000000000 0.99371644034488 150.360 > 103 106 Sm 0.00000000000000 0.00000000000000 0.32704977367821 150.360 > 106 107 Sm 0.00000000000000 0.00000000000000 0.66038310701154 150.360 > 106 108 Sm 0.00000000000000 0.00000000000000 0.99371644034488 150.360 > 106 109 Sm 0.31769163702599 0.81769163702599 0.33247232889229 150.360 > 109 110 Sm 0.31769163702599 0.81769163702599 0.66580566222562 150.360 > 109 111 Sm 0.31769163702599 0.81769163702599 0.99913899555895 150.360 > 109 112 Sm 0.18230836297401 0.31769163702599 0.33247232889229 150.360 > 112 113 Sm 0.18230836297401 0.31769163702599 0.66580566222562 150.360 > 112 114 Sm 0.18230836297401 0.31769163702599 0.99913899555895 150.360 > 112 115 Sm 0.81769163702599 0.68230836297401 0.33247232889229 150.360 > 115 116 Sm 0.81769163702599 0.68230836297401 0.66580566222562 150.360 > 115 117 Sm 0.81769163702599 0.68230836297401 0.99913899555895 150.360 > 115 118 Sm 0.68230836297401 0.18230836297401 0.33247232889229 150.360 > 118 119 Sm 0.68230836297401 0.18230836297401 0.66580566222562 150.360 > 118 120 Sm 0.68230836297401 0.18230836297401 0.99913899555895 150.360 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4973904 0.0000000 0.0000000 0.0000000 5.4973904 0.0000000 0.0000000 0.0000000 5.2120708 -------------------------- Born effective charges -------------------------- 1 N -3.7384531 -0.7253554 0.0000000 -0.7253554 -3.7384531 0.0000000 -0.0000000 -0.0000000 -1.2666024 2 N -3.7384531 0.7253554 0.0000000 0.7253554 -3.7384531 0.0000000 -0.0000000 -0.0000000 -1.2666024 3 N -2.3848900 0.4844272 -0.2573816 0.4844272 -2.3848900 -0.2573816 -0.1637668 -0.1637668 -3.0653471 4 N -2.3848900 -0.4844272 0.2573816 -0.4844272 -2.3848900 -0.2573816 0.1637668 -0.1637668 -3.0653471 5 N -2.3848900 -0.4844272 -0.2573816 -0.4844272 -2.3848900 0.2573816 -0.1637668 0.1637668 -3.0653471 6 N -2.3848900 0.4844272 0.2573816 0.4844272 -2.3848900 0.2573816 0.1637668 0.1637668 -3.0653471 7 N -2.4560373 -0.2722592 0.1187646 -0.2242426 -2.7116212 0.2690021 0.0530086 0.2608327 -3.0069512 8 N -2.4560373 -0.2722592 -0.1187646 -0.2242426 -2.7116212 -0.2690021 -0.0530086 -0.2608327 -3.0069512 9 N -2.7116212 0.2242426 0.2690021 0.2722592 -2.4560373 -0.1187646 0.2608327 -0.0530086 -3.0069512 10 N -2.7116212 0.2242426 -0.2690021 0.2722592 -2.4560373 0.1187646 -0.2608327 0.0530086 -3.0069512 11 N -2.7116212 -0.2242426 -0.2690021 -0.2722592 -2.4560373 -0.1187646 -0.2608327 -0.0530086 -3.0069512 12 N -2.4560373 0.2722592 0.1187646 0.2242426 -2.7116212 -0.2690021 0.0530086 -0.2608327 -3.0069512 13 N -2.4560373 0.2722592 -0.1187646 0.2242426 -2.7116212 0.2690021 -0.0530086 0.2608327 -3.0069512 14 N -2.7116212 -0.2242426 0.2690021 -0.2722592 -2.4560373 0.1187646 0.2608327 0.0530086 -3.0069512 15 N -2.4775836 -0.0198838 -0.1890381 0.0314822 -3.3161766 -0.2154835 -0.0927979 -0.2107446 -2.5688310 16 N -2.4775836 -0.0198838 0.1890381 0.0314822 -3.3161766 0.2154835 0.0927979 0.2107446 -2.5688310 17 N -3.3161766 -0.0314822 -0.2154835 0.0198838 -2.4775836 0.1890381 -0.2107446 0.0927979 -2.5688310 18 N -3.3161766 -0.0314822 0.2154835 0.0198838 -2.4775836 -0.1890381 0.2107446 -0.0927979 -2.5688310 19 N -3.3161766 0.0314822 -0.2154835 -0.0198838 -2.4775836 -0.1890381 -0.2107446 -0.0927979 -2.5688310 20 N -2.4775836 0.0198838 0.1890381 -0.0314822 -3.3161766 -0.2154835 0.0927979 -0.2107446 -2.5688310 21 N -2.4775836 0.0198838 -0.1890381 -0.0314822 -3.3161766 0.2154835 -0.0927979 0.2107446 -2.5688310 22 N -3.3161766 0.0314822 0.2154835 -0.0198838 -2.4775836 0.1890381 0.2107446 0.0927979 -2.5688310 23 Si 3.4521962 0.4537665 0.1054376 0.4537665 3.4521962 0.1054376 0.0044869 0.0044869 2.7549444 24 Si 3.4521962 -0.4537665 -0.1054376 -0.4537665 3.4521962 0.1054376 -0.0044869 0.0044869 2.7549444 25 Si 3.4521962 -0.4537665 0.1054376 -0.4537665 3.4521962 -0.1054376 0.0044869 -0.0044869 2.7549444 26 Si 3.4521962 0.4537665 -0.1054376 0.4537665 3.4521962 -0.1054376 -0.0044869 -0.0044869 2.7549444 27 Si 3.1847295 0.4240428 0.0087674 0.2399841 2.6409995 -0.3608207 0.0293049 -0.2432239 3.6635830 28 Si 3.1847295 0.4240428 -0.0087674 0.2399841 2.6409995 0.3608207 -0.0293049 0.2432239 3.6635830 29 Si 2.6409995 -0.2399841 -0.3608207 -0.4240428 3.1847295 -0.0087674 -0.2432239 -0.0293049 3.6635830 30 Si 2.6409995 -0.2399841 0.3608207 -0.4240428 3.1847295 0.0087674 0.2432239 0.0293049 3.6635830 31 Si 2.6409995 0.2399841 0.3608207 0.4240428 3.1847295 -0.0087674 0.2432239 -0.0293049 3.6635830 32 Si 3.1847295 -0.4240428 0.0087674 -0.2399841 2.6409995 0.3608207 0.0293049 0.2432239 3.6635830 33 Si 3.1847295 -0.4240428 -0.0087674 -0.2399841 2.6409995 -0.3608207 -0.0293049 -0.2432239 3.6635830 34 Si 2.6409995 0.2399841 -0.3608207 0.4240428 3.1847295 0.0087674 -0.2432239 0.0293049 3.6635830 35 Sm 3.7920794 -0.0662734 0.0000000 0.0662734 3.7920794 0.0000000 -0.0000000 -0.0000000 3.2491652 36 Sm 3.7920794 0.0662734 0.0000000 -0.0662734 3.7920794 0.0000000 -0.0000000 -0.0000000 3.2491652 37 Sm 4.0415702 -0.3120252 0.1541739 -0.3120252 4.0415702 0.1541739 0.1664511 0.1664511 3.1435199 38 Sm 4.0415702 0.3120252 -0.1541739 0.3120252 4.0415702 0.1541739 -0.1664511 0.1664511 3.1435199 39 Sm 4.0415702 0.3120252 0.1541739 0.3120252 4.0415702 -0.1541739 0.1664511 -0.1664511 3.1435199 40 Sm 4.0415702 -0.3120252 -0.1541739 -0.3120252 4.0415702 -0.1541739 -0.1664511 -0.1664511 3.1435199 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (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 5 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 -0.000) 0.000 3.122 ( 0.000 -0.000 0.000) 0.000 3.201 ( 0.000 0.000 -0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.248 ( -0.000 0.000 0.000) 0.000 3.686 ( -0.000 0.000 -0.000) 0.000 4.038 ( 0.000 0.000 -0.000) 0.000 4.433 ( 0.000 0.000 -0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 -0.000) 0.000 5.601 ( 0.000 0.000 -0.000) 0.000 5.827 ( -0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 6.061 ( -0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 -0.000) 0.000 6.605 ( -0.000 -0.000 0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.715 ( -0.000 -0.000 -0.000) 0.000 7.508 ( -0.000 -0.000 0.000) 0.000 7.726 ( 0.000 0.000 0.000) 0.000 7.726 ( 0.000 0.000 -0.000) 0.000 8.324 ( -0.000 -0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.562 ( -0.000 -0.000 0.000) 0.000 8.562 ( 0.000 -0.000 -0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 -0.000) 0.000 9.130 ( -0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 11.373 ( -0.000 -0.000 0.000) 0.000 11.373 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 -0.000) 0.000 11.546 ( 0.000 0.000 0.000) 0.000 11.668 ( 0.000 0.000 0.000) 0.000 11.981 ( 0.000 0.000 0.000) 0.000 11.981 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 -0.000) 0.000 12.536 ( 0.000 0.000 0.000) 0.000 12.848 ( 0.000 0.000 0.000) 0.000 12.848 ( 0.000 0.000 0.000) 0.000 12.962 ( -0.000 0.000 0.000) 0.000 13.026 ( -0.000 -0.000 0.000) 0.000 13.600 ( 0.000 0.000 -0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 14.463 ( 0.000 -0.000 -0.000) 0.000 14.463 ( 0.000 0.000 0.000) 0.000 14.511 ( 0.000 0.000 -0.000) 0.000 14.518 ( 0.000 0.000 0.000) 0.000 14.934 ( 0.000 0.000 0.000) 0.000 14.959 ( -0.000 -0.000 0.000) 0.000 14.959 ( 0.000 0.000 0.000) 0.000 15.934 ( -0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 16.062 ( 0.000 0.000 -0.000) 0.000 16.072 ( 0.000 0.000 0.000) 0.000 16.531 ( -0.000 -0.000 0.000) 0.000 16.775 ( -0.000 -0.000 0.000) 0.000 17.046 ( 0.000 0.000 0.000) 0.000 17.046 ( 0.000 0.000 0.000) 0.000 18.442 ( -0.000 0.000 0.000) 0.000 19.146 ( 0.000 0.000 0.000) 0.000 19.146 ( -0.000 -0.000 0.000) 0.000 19.319 ( -0.000 0.000 0.000) 0.000 19.736 ( 0.000 0.000 0.000) 0.000 19.989 ( 0.000 0.000 -0.000) 0.000 19.989 ( 0.000 0.000 -0.000) 0.000 20.067 ( 0.000 -0.000 0.000) 0.000 20.204 ( -0.000 -0.000 -0.000) 0.000 20.620 ( 0.000 0.000 0.000) 0.000 21.325 ( 0.000 0.000 0.000) 0.000 21.325 ( 0.000 0.000 -0.000) 0.000 21.423 ( -0.000 0.000 0.000) 0.000 21.423 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 22.098 ( 0.000 0.000 0.000) 0.000 22.556 ( 0.000 0.000 0.000) 0.000 22.765 ( -0.000 -0.000 0.000) 0.000 25.576 ( 0.000 0.000 0.000) 0.000 25.713 ( 0.000 0.000 0.000) 0.000 25.713 ( 0.000 0.000 -0.000) 0.000 25.770 ( -0.000 -0.000 -0.000) 0.000 25.928 ( -0.000 -0.000 0.000) 0.000 26.320 ( 0.000 -0.000 0.000) 0.000 26.320 ( 0.000 0.000 0.000) 0.000 27.092 ( -0.000 -0.000 0.000) 0.000 27.286 ( 0.000 0.000 -0.000) 0.000 27.286 ( -0.000 -0.000 -0.000) 0.000 27.327 ( 0.000 0.000 -0.000) 0.000 27.484 ( 0.000 0.000 -0.000) 0.000 27.484 ( 0.000 0.000 -0.000) 0.000 28.019 ( 0.000 0.000 0.000) 0.000 28.380 ( 0.000 0.000 0.000) 0.000 28.459 ( 0.000 0.000 0.000) 0.000 28.743 ( 0.000 0.000 0.000) 0.000 29.068 ( 0.000 0.000 -0.000) 0.000 30.113 ( 0.000 0.000 0.000) 0.000 30.113 ( 0.000 0.000 -0.000) 0.000 30.312 ( -0.000 0.000 0.000) 0.000 30.706 ( 0.000 0.000 -0.000) 0.000 30.706 ( 0.000 0.000 0.000) 0.000 31.485 ( 0.000 0.000 0.000) 0.000 35.092 ( 0.000 0.000 0.000) 0.000 35.092 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 39.591 0.000 0.000) 39.591 1.010 ( 48.735 0.000 0.000) 48.735 1.480 ( 65.261 0.000 0.000) 65.261 2.260 ( -5.965 0.000 0.000) 5.965 2.331 ( 2.755 0.000 0.000) 2.755 2.534 ( -3.219 0.000 0.000) 3.219 2.869 ( -3.976 0.000 0.000) 3.976 2.942 ( -8.554 0.000 0.000) 8.554 3.255 ( 1.961 0.000 0.000) 1.961 3.330 ( 3.716 0.000 0.000) 3.716 3.368 ( 6.811 0.000 0.000) 6.811 3.678 ( 0.293 0.000 0.000) 0.293 3.917 ( -10.209 0.000 0.000) 10.209 4.340 ( -7.451 0.000 0.000) 7.451 4.465 ( 1.988 0.000 0.000) 1.988 4.572 ( -6.409 0.000 0.000) 6.409 4.706 ( -5.708 0.000 0.000) 5.708 4.904 ( -6.462 0.000 0.000) 6.462 5.458 ( 0.225 0.000 0.000) 0.225 5.620 ( 1.424 0.000 0.000) 1.424 5.673 ( -1.039 0.000 0.000) 1.039 5.849 ( -0.658 0.000 0.000) 0.658 5.949 ( 1.105 0.000 0.000) 1.105 6.119 ( 13.179 0.000 0.000) 13.179 6.155 ( -5.827 0.000 0.000) 5.827 6.274 ( -13.785 0.000 0.000) 13.785 6.320 ( -9.054 0.000 0.000) 9.054 6.809 ( 10.928 0.000 0.000) 10.928 6.921 ( 8.309 0.000 0.000) 8.309 7.064 ( 12.473 0.000 0.000) 12.473 7.377 ( -11.948 0.000 0.000) 11.948 7.733 ( 0.761 0.000 0.000) 0.761 7.792 ( 1.340 0.000 0.000) 1.340 8.226 ( -19.948 0.000 0.000) 19.948 8.354 ( -2.506 0.000 0.000) 2.506 8.595 ( -2.446 0.000 0.000) 2.446 8.603 ( 13.052 0.000 0.000) 13.052 8.776 ( -11.224 0.000 0.000) 11.224 8.801 ( 8.837 0.000 0.000) 8.837 9.182 ( 12.053 0.000 0.000) 12.053 9.190 ( 4.900 0.000 0.000) 4.900 9.838 ( 11.509 0.000 0.000) 11.509 10.291 ( -12.344 0.000 0.000) 12.344 10.709 ( -3.253 0.000 0.000) 3.253 10.905 ( 10.542 0.000 0.000) 10.542 11.207 ( -12.928 0.000 0.000) 12.928 11.273 ( -12.956 0.000 0.000) 12.956 11.533 ( -8.262 0.000 0.000) 8.262 11.565 ( 1.269 0.000 0.000) 1.269 11.666 ( 3.493 0.000 0.000) 3.493 11.852 ( -11.322 0.000 0.000) 11.322 12.133 ( 10.513 0.000 0.000) 10.513 12.386 ( 5.229 0.000 0.000) 5.229 12.649 ( 8.078 0.000 0.000) 8.078 12.762 ( -5.378 0.000 0.000) 5.378 12.943 ( 8.861 0.000 0.000) 8.861 13.014 ( 4.352 0.000 0.000) 4.352 13.056 ( -0.461 0.000 0.000) 0.461 13.534 ( -3.678 0.000 0.000) 3.678 13.725 ( 1.062 0.000 0.000) 1.062 14.305 ( 11.128 0.000 0.000) 11.128 14.379 ( -2.238 0.000 0.000) 2.238 14.412 ( -5.196 0.000 0.000) 5.196 14.582 ( -9.568 0.000 0.000) 9.568 14.714 ( 4.151 0.000 0.000) 4.151 14.759 ( 6.374 0.000 0.000) 6.374 15.148 ( 4.195 0.000 0.000) 4.195 15.415 ( -5.450 0.000 0.000) 5.450 15.762 ( -10.198 0.000 0.000) 10.198 15.869 ( -13.705 0.000 0.000) 13.705 16.132 ( 2.762 0.000 0.000) 2.762 16.144 ( 5.559 0.000 0.000) 5.559 16.542 ( -0.460 0.000 0.000) 0.460 16.610 ( -10.003 0.000 0.000) 10.003 17.118 ( 7.589 0.000 0.000) 7.589 17.291 ( 11.131 0.000 0.000) 11.131 18.462 ( 1.589 0.000 0.000) 1.589 18.940 ( -19.370 0.000 0.000) 19.370 19.163 ( 2.490 0.000 0.000) 2.490 19.419 ( 9.107 0.000 0.000) 9.107 19.762 ( -11.995 0.000 0.000) 11.995 19.810 ( 1.367 0.000 0.000) 1.367 19.974 ( -1.482 0.000 0.000) 1.482 20.109 ( -6.880 0.000 0.000) 6.880 20.489 ( 22.620 0.000 0.000) 22.620 20.733 ( 9.735 0.000 0.000) 9.735 21.275 ( -4.842 0.000 0.000) 4.842 21.355 ( 0.834 0.000 0.000) 0.834 21.415 ( -0.771 0.000 0.000) 0.771 21.532 ( -6.940 0.000 0.000) 6.940 21.965 ( 3.311 0.000 0.000) 3.311 22.099 ( 0.115 0.000 0.000) 0.115 22.559 ( 0.566 0.000 0.000) 0.566 22.736 ( -2.801 0.000 0.000) 2.801 25.645 ( 5.842 0.000 0.000) 5.842 25.717 ( 0.301 0.000 0.000) 0.301 25.782 ( 1.845 0.000 0.000) 1.845 25.891 ( 0.461 0.000 0.000) 0.461 25.923 ( -0.438 0.000 0.000) 0.438 26.274 ( -4.777 0.000 0.000) 4.777 27.102 ( 0.922 0.000 0.000) 0.922 27.210 ( 1.226 0.000 0.000) 1.226 27.254 ( -3.192 0.000 0.000) 3.192 27.315 ( -1.158 0.000 0.000) 1.158 27.390 ( -0.869 0.000 0.000) 0.869 27.422 ( -3.953 0.000 0.000) 3.953 27.958 ( 1.574 0.000 0.000) 1.574 28.061 ( 2.124 0.000 0.000) 2.124 28.400 ( 2.193 0.000 0.000) 2.193 28.464 ( 0.441 0.000 0.000) 0.441 28.756 ( 1.514 0.000 0.000) 1.514 29.030 ( -3.647 0.000 0.000) 3.647 30.149 ( 3.350 0.000 0.000) 3.350 30.312 ( -0.243 0.000 0.000) 0.243 30.574 ( 0.953 0.000 0.000) 0.953 30.691 ( -1.488 0.000 0.000) 1.488 31.377 ( 0.519 0.000 0.000) 0.519 31.469 ( -1.504 0.000 0.000) 1.504 35.143 ( 4.977 0.000 0.000) 4.977 35.599 ( -5.529 0.000 0.000) 5.529 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 31.608 0.000 0.000) 31.608 1.907 ( 39.264 0.000 0.000) 39.264 2.044 ( -17.075 0.000 0.000) 17.075 2.221 ( 9.714 0.000 0.000) 9.714 2.401 ( -8.445 0.000 0.000) 8.445 2.488 ( -6.288 0.000 0.000) 6.288 2.761 ( 3.402 0.000 0.000) 3.402 2.845 ( -2.215 0.000 0.000) 2.215 3.330 ( 3.597 0.000 0.000) 3.597 3.396 ( -2.623 0.000 0.000) 2.623 3.575 ( 25.439 0.000 0.000) 25.439 3.709 ( 0.851 0.000 0.000) 0.851 3.755 ( -1.903 0.000 0.000) 1.903 4.181 ( -16.628 0.000 0.000) 16.628 4.345 ( -7.292 0.000 0.000) 7.292 4.430 ( -7.157 0.000 0.000) 7.157 4.657 ( 3.109 0.000 0.000) 3.109 4.763 ( -6.501 0.000 0.000) 6.501 5.506 ( 4.783 0.000 0.000) 4.783 5.614 ( -3.817 0.000 0.000) 3.817 5.668 ( 2.663 0.000 0.000) 2.663 5.760 ( -4.909 0.000 0.000) 4.909 5.959 ( -8.126 0.000 0.000) 8.126 5.960 ( -4.043 0.000 0.000) 4.043 6.220 ( 5.386 0.000 0.000) 5.386 6.253 ( 4.246 0.000 0.000) 4.246 6.493 ( 17.865 0.000 0.000) 17.865 6.843 ( -15.152 0.000 0.000) 15.152 6.959 ( 3.285 0.000 0.000) 3.285 7.092 ( -12.278 0.000 0.000) 12.278 7.325 ( 16.950 0.000 0.000) 16.950 7.760 ( -24.513 0.000 0.000) 24.513 7.843 ( 9.109 0.000 0.000) 9.109 7.909 ( 6.484 0.000 0.000) 6.484 8.258 ( -2.603 0.000 0.000) 2.603 8.404 ( -13.356 0.000 0.000) 13.356 8.730 ( 4.005 0.000 0.000) 4.005 8.803 ( -1.271 0.000 0.000) 1.271 9.097 ( 26.071 0.000 0.000) 26.071 9.377 ( 10.157 0.000 0.000) 10.157 9.410 ( 6.754 0.000 0.000) 6.754 9.644 ( -24.616 0.000 0.000) 24.616 10.417 ( 15.973 0.000 0.000) 15.973 10.593 ( -6.757 0.000 0.000) 6.757 10.887 ( -4.079 0.000 0.000) 4.079 11.098 ( -8.192 0.000 0.000) 8.192 11.115 ( 1.445 0.000 0.000) 1.445 11.188 ( -17.356 0.000 0.000) 17.356 11.652 ( 5.359 0.000 0.000) 5.359 11.733 ( -3.249 0.000 0.000) 3.249 11.845 ( 15.767 0.000 0.000) 15.767 12.223 ( -18.292 0.000 0.000) 18.292 12.339 ( 10.205 0.000 0.000) 10.205 12.530 ( -8.316 0.000 0.000) 8.316 12.949 ( 4.108 0.000 0.000) 4.108 12.999 ( -1.393 0.000 0.000) 1.393 13.180 ( 18.386 0.000 0.000) 18.386 13.232 ( 12.804 0.000 0.000) 12.804 13.461 ( -5.045 0.000 0.000) 5.045 13.601 ( -14.746 0.000 0.000) 14.746 14.293 ( -2.129 0.000 0.000) 2.129 14.330 ( -5.473 0.000 0.000) 5.473 14.483 ( 6.311 0.000 0.000) 6.311 14.542 ( 5.142 0.000 0.000) 5.142 14.864 ( 5.712 0.000 0.000) 5.712 14.911 ( 9.580 0.000 0.000) 9.580 15.104 ( -4.679 0.000 0.000) 4.679 15.267 ( -11.823 0.000 0.000) 11.823 15.608 ( -6.673 0.000 0.000) 6.673 15.616 ( -4.477 0.000 0.000) 4.477 16.186 ( 3.254 0.000 0.000) 3.254 16.227 ( 1.102 0.000 0.000) 1.102 16.470 ( -2.921 0.000 0.000) 2.921 16.493 ( -3.442 0.000 0.000) 3.442 17.313 ( 9.825 0.000 0.000) 9.825 17.423 ( 0.522 0.000 0.000) 0.522 18.497 ( 2.428 0.000 0.000) 2.428 18.616 ( -11.072 0.000 0.000) 11.072 19.270 ( 8.344 0.000 0.000) 8.344 19.488 ( -12.977 0.000 0.000) 12.977 19.649 ( 13.064 0.000 0.000) 13.064 19.870 ( 1.806 0.000 0.000) 1.806 19.914 ( -10.870 0.000 0.000) 10.870 19.932 ( -2.586 0.000 0.000) 2.586 20.928 ( 17.644 0.000 0.000) 17.644 20.955 ( 14.086 0.000 0.000) 14.086 21.140 ( -8.450 0.000 0.000) 8.450 21.305 ( -15.015 0.000 0.000) 15.015 21.376 ( 1.145 0.000 0.000) 1.145 21.399 ( -1.265 0.000 0.000) 1.265 22.042 ( 3.684 0.000 0.000) 3.684 22.093 ( -1.211 0.000 0.000) 1.211 22.590 ( 2.734 0.000 0.000) 2.734 22.663 ( -4.110 0.000 0.000) 4.110 25.720 ( 1.016 0.000 0.000) 1.016 25.723 ( 0.244 0.000 0.000) 0.244 25.887 ( 4.067 0.000 0.000) 4.067 25.912 ( -0.725 0.000 0.000) 0.725 25.923 ( 6.937 0.000 0.000) 6.937 26.126 ( -9.770 0.000 0.000) 9.770 27.129 ( 1.819 0.000 0.000) 1.819 27.180 ( -3.426 0.000 0.000) 3.426 27.242 ( 1.936 0.000 0.000) 1.936 27.283 ( -1.967 0.000 0.000) 1.967 27.373 ( -0.584 0.000 0.000) 0.584 27.375 ( -0.960 0.000 0.000) 0.960 28.003 ( 2.839 0.000 0.000) 2.839 28.058 ( -2.103 0.000 0.000) 2.103 28.451 ( 2.051 0.000 0.000) 2.051 28.470 ( -0.045 0.000 0.000) 0.045 28.818 ( 4.813 0.000 0.000) 4.813 28.931 ( -5.851 0.000 0.000) 5.851 30.228 ( 4.003 0.000 0.000) 4.003 30.291 ( -2.071 0.000 0.000) 2.071 30.604 ( 2.010 0.000 0.000) 2.010 30.650 ( -2.382 0.000 0.000) 2.382 31.396 ( 1.404 0.000 0.000) 1.404 31.431 ( -2.015 0.000 0.000) 2.015 35.279 ( 8.215 0.000 0.000) 8.215 35.453 ( -8.557 0.000 0.000) 8.557 ======================= Grid point 6 (4/36) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 25.875 25.875 0.000) 36.593 1.145 ( 26.356 26.356 0.000) 37.273 2.167 ( 42.039 42.039 0.000) 59.453 2.251 ( -1.570 -1.570 0.000) 2.221 2.335 ( 2.041 2.041 0.000) 2.887 2.542 ( -0.040 -0.040 0.000) 0.056 2.653 ( -11.744 -11.744 0.000) 16.608 3.007 ( 0.253 0.253 0.000) 0.357 3.282 ( 3.133 3.133 0.000) 4.431 3.312 ( -1.564 -1.564 0.000) 2.212 3.459 ( 5.127 5.127 0.000) 7.250 3.681 ( 0.880 0.880 0.000) 1.245 3.778 ( -8.924 -8.924 0.000) 12.620 4.367 ( -2.240 -2.240 0.000) 3.167 4.388 ( -2.001 -2.001 0.000) 2.829 4.528 ( -4.252 -4.252 0.000) 6.014 4.632 ( -5.364 -5.364 0.000) 7.585 4.885 ( -3.933 -3.933 0.000) 5.563 5.450 ( -0.023 -0.023 0.000) 0.033 5.627 ( -3.575 -3.575 0.000) 5.055 5.646 ( 1.074 1.074 0.000) 1.519 5.853 ( 3.429 3.429 0.000) 4.850 6.013 ( -4.059 -4.059 0.000) 5.740 6.037 ( -10.183 -10.183 0.000) 14.401 6.089 ( 2.637 2.637 0.000) 3.730 6.295 ( 12.596 12.596 0.000) 17.813 6.563 ( -4.714 -4.714 0.000) 6.666 6.604 ( 3.547 3.547 0.000) 5.017 7.040 ( 3.507 3.507 0.000) 4.960 7.064 ( 1.678 1.678 0.000) 2.373 7.346 ( -5.217 -5.217 0.000) 7.378 7.654 ( -2.549 -2.549 0.000) 3.605 7.802 ( -2.257 -2.257 0.000) 3.192 8.090 ( -6.879 -6.879 0.000) 9.729 8.161 ( -13.376 -13.376 0.000) 18.917 8.407 ( -16.073 -16.073 0.000) 22.731 8.755 ( 17.585 17.585 0.000) 24.869 8.934 ( 16.327 16.327 0.000) 23.090 9.016 ( 11.373 11.373 0.000) 16.084 9.310 ( 11.333 11.333 0.000) 16.027 9.416 ( 8.523 8.523 0.000) 12.054 9.922 ( 9.062 9.062 0.000) 12.815 10.185 ( -7.780 -7.780 0.000) 11.003 10.724 ( -6.482 -6.482 0.000) 9.167 10.908 ( 4.733 4.733 0.000) 6.693 11.027 ( -13.530 -13.530 0.000) 19.135 11.028 ( -10.468 -10.468 0.000) 14.803 11.453 ( -7.094 -7.094 0.000) 10.032 11.545 ( -0.657 -0.657 0.000) 0.929 11.845 ( 5.093 5.093 0.000) 7.202 11.969 ( 0.493 0.493 0.000) 0.698 12.146 ( -4.990 -4.990 0.000) 7.057 12.259 ( -11.545 -11.545 0.000) 16.327 12.574 ( 13.051 13.051 0.000) 18.457 12.621 ( -12.743 -12.743 0.000) 18.021 13.064 ( 0.936 0.936 0.000) 1.323 13.081 ( 4.904 4.904 0.000) 6.935 13.118 ( 13.878 13.878 0.000) 19.627 13.533 ( 1.008 1.008 0.000) 1.426 13.749 ( -0.496 -0.496 0.000) 0.701 14.132 ( -2.102 -2.102 0.000) 2.973 14.333 ( -3.350 -3.350 0.000) 4.738 14.386 ( -2.254 -2.254 0.000) 3.188 14.624 ( 2.566 2.566 0.000) 3.628 14.783 ( 5.622 5.622 0.000) 7.951 14.937 ( -0.132 -0.132 0.000) 0.186 15.040 ( -2.733 -2.733 0.000) 3.864 15.462 ( 1.117 1.117 0.000) 1.580 15.558 ( -13.701 -13.701 0.000) 19.376 15.771 ( -2.234 -2.234 0.000) 3.159 16.219 ( 5.934 5.934 0.000) 8.392 16.282 ( 3.877 3.877 0.000) 5.483 16.503 ( -3.549 -3.549 0.000) 5.018 16.532 ( -6.179 -6.179 0.000) 8.738 17.126 ( 4.257 4.257 0.000) 6.021 17.396 ( 5.807 5.807 0.000) 8.213 18.485 ( 1.871 1.871 0.000) 2.647 18.885 ( -8.884 -8.884 0.000) 12.564 19.008 ( -4.595 -4.595 0.000) 6.498 19.492 ( 5.937 5.937 0.000) 8.396 19.582 ( -13.162 -13.162 0.000) 18.614 19.929 ( 2.308 2.308 0.000) 3.264 19.948 ( 1.518 1.518 0.000) 2.147 20.334 ( 5.114 5.114 0.000) 7.233 20.466 ( 10.389 10.389 0.000) 14.692 20.791 ( 7.165 7.165 0.000) 10.133 21.257 ( -4.057 -4.057 0.000) 5.738 21.366 ( 1.633 1.633 0.000) 2.309 21.425 ( 0.068 0.068 0.000) 0.096 21.465 ( -6.882 -6.882 0.000) 9.732 21.979 ( 2.216 2.216 0.000) 3.134 22.096 ( -0.163 -0.163 0.000) 0.231 22.561 ( 0.350 0.350 0.000) 0.496 22.710 ( -2.532 -2.532 0.000) 3.581 25.718 ( 5.211 5.211 0.000) 7.369 25.750 ( 3.341 3.341 0.000) 4.725 25.784 ( 0.604 0.604 0.000) 0.854 25.897 ( 0.526 0.526 0.000) 0.744 25.926 ( -0.056 -0.056 0.000) 0.079 26.278 ( -2.062 -2.062 0.000) 2.916 27.107 ( 0.363 0.363 0.000) 0.513 27.209 ( -0.987 -0.987 0.000) 1.396 27.258 ( -1.152 -1.152 0.000) 1.630 27.263 ( -3.922 -3.922 0.000) 5.547 27.307 ( -0.868 -0.868 0.000) 1.227 27.370 ( -4.789 -4.789 0.000) 6.772 28.023 ( 4.028 4.028 0.000) 5.696 28.129 ( 4.254 4.254 0.000) 6.017 28.402 ( 0.605 0.605 0.000) 0.856 28.464 ( 0.023 0.023 0.000) 0.033 28.762 ( 0.921 0.921 0.000) 1.302 28.995 ( -3.359 -3.359 0.000) 4.751 30.140 ( 1.063 1.063 0.000) 1.504 30.303 ( -1.168 -1.168 0.000) 1.652 30.608 ( 1.842 1.842 0.000) 2.605 30.672 ( -0.894 -0.894 0.000) 1.265 31.395 ( 1.259 1.259 0.000) 1.781 31.483 ( -0.004 -0.004 0.000) 0.006 35.154 ( 2.831 2.831 0.000) 4.003 35.552 ( -4.932 -4.932 0.000) 6.975 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 25.232 12.750 0.000) 28.270 1.784 ( 30.014 -0.432 0.000) 30.017 2.120 ( -11.174 7.271 0.000) 13.331 2.311 ( -16.384 -2.159 0.000) 16.526 2.391 ( 4.348 1.647 0.000) 4.649 2.510 ( -4.159 -2.188 0.000) 4.699 2.837 ( 12.017 11.625 0.000) 16.720 2.979 ( -3.856 5.538 0.000) 6.748 3.265 ( 0.245 -7.683 0.000) 7.687 3.344 ( -4.644 -6.523 0.000) 8.008 3.514 ( 11.311 1.926 0.000) 11.474 3.672 ( -3.188 2.017 0.000) 3.773 3.903 ( 19.817 10.489 0.000) 22.422 4.258 ( -5.980 3.044 0.000) 6.710 4.344 ( -7.303 -2.158 0.000) 7.615 4.403 ( -7.874 -1.705 0.000) 8.056 4.583 ( 3.902 -5.281 0.000) 6.566 4.736 ( -9.666 -1.043 0.000) 9.722 5.483 ( 3.353 -1.088 0.000) 3.525 5.553 ( -3.121 -2.483 0.000) 3.988 5.688 ( 2.430 -2.498 0.000) 3.485 5.778 ( -7.699 1.000 0.000) 7.764 5.907 ( -1.469 -1.516 0.000) 2.111 5.961 ( -2.832 -3.430 0.000) 4.448 6.241 ( 8.468 6.056 0.000) 10.410 6.348 ( -3.193 2.002 0.000) 3.768 6.598 ( 10.287 9.447 0.000) 13.967 6.689 ( -1.038 -8.061 0.000) 8.127 7.009 ( -3.061 -1.056 0.000) 3.237 7.108 ( -11.617 4.062 0.000) 12.307 7.259 ( 13.783 -4.014 0.000) 14.356 7.606 ( -16.748 -10.256 0.000) 19.638 7.718 ( 8.014 -11.920 0.000) 14.363 7.918 ( -11.028 -14.641 0.000) 18.330 8.066 ( 4.554 3.894 0.000) 5.992 8.188 ( -7.059 -7.333 0.000) 10.179 9.132 ( 11.064 7.027 0.000) 13.107 9.143 ( 8.607 24.585 0.000) 26.048 9.304 ( 14.518 28.294 0.000) 31.801 9.467 ( 3.026 8.234 0.000) 8.773 9.537 ( 6.796 11.507 0.000) 13.364 9.776 ( -18.221 16.081 0.000) 24.303 10.387 ( 16.039 -4.177 0.000) 16.574 10.521 ( -7.390 -7.316 0.000) 10.399 10.773 ( -3.250 -12.653 0.000) 13.064 10.935 ( -2.882 -12.837 0.000) 13.157 10.992 ( 0.910 -7.721 0.000) 7.774 11.170 ( -21.466 3.759 0.000) 21.793 11.638 ( 12.639 -9.777 0.000) 15.979 11.815 ( -1.701 7.906 0.000) 8.087 11.951 ( -3.292 6.319 0.000) 7.126 12.028 ( -11.902 -15.199 0.000) 19.305 12.138 ( 6.159 -15.369 0.000) 16.557 12.327 ( -12.996 -16.140 0.000) 20.722 12.940 ( 13.453 -0.129 0.000) 13.454 13.084 ( -2.617 4.881 0.000) 5.539 13.196 ( 12.244 4.928 0.000) 13.199 13.383 ( 6.312 8.126 0.000) 10.289 13.531 ( -0.575 7.271 0.000) 7.294 13.661 ( -7.680 1.697 0.000) 7.865 14.127 ( 1.588 -6.538 0.000) 6.728 14.232 ( -7.661 -4.698 0.000) 8.986 14.460 ( 10.885 -4.386 0.000) 11.735 14.659 ( -2.557 4.724 0.000) 5.371 14.841 ( 1.246 -2.604 0.000) 2.887 14.949 ( -5.704 -8.603 0.000) 10.322 14.979 ( 8.140 3.262 0.000) 8.769 15.217 ( -15.008 -1.187 0.000) 15.055 15.603 ( 6.829 2.008 0.000) 7.118 15.716 ( -3.875 3.432 0.000) 5.176 16.279 ( 0.754 5.241 0.000) 5.295 16.315 ( -0.267 6.335 0.000) 6.341 16.418 ( -1.944 -4.236 0.000) 4.661 16.447 ( -2.773 -3.010 0.000) 4.092 17.286 ( 9.816 -0.616 0.000) 9.836 17.433 ( -3.131 -0.020 0.000) 3.131 18.526 ( 2.726 2.262 0.000) 3.542 18.640 ( -9.753 1.574 0.000) 9.879 19.094 ( 8.790 -12.209 0.000) 15.044 19.314 ( -12.741 -12.730 0.000) 18.011 19.644 ( 8.677 1.894 0.000) 8.881 19.813 ( -7.656 -2.365 0.000) 8.013 20.095 ( 7.185 14.805 0.000) 16.456 20.236 ( -7.023 18.228 0.000) 19.534 20.851 ( 18.780 -7.874 0.000) 20.364 20.980 ( 10.781 4.280 0.000) 11.599 21.128 ( -8.483 -3.449 0.000) 9.157 21.251 ( -13.675 -3.924 0.000) 14.227 21.396 ( 1.135 1.387 0.000) 1.792 21.416 ( -0.822 1.049 0.000) 1.333 22.042 ( 3.281 0.503 0.000) 3.319 22.087 ( -1.089 -0.252 0.000) 1.118 22.584 ( 2.144 -0.519 0.000) 2.206 22.645 ( -3.576 -1.722 0.000) 3.969 25.757 ( 0.888 2.561 0.000) 2.710 25.770 ( -0.457 3.267 0.000) 3.299 25.905 ( 1.389 1.331 0.000) 1.923 25.919 ( -0.505 0.595 0.000) 0.781 25.948 ( 10.659 3.595 0.000) 11.249 26.161 ( -9.114 2.786 0.000) 9.531 27.114 ( 0.520 -1.950 0.000) 2.018 27.143 ( -2.816 -4.723 0.000) 5.499 27.247 ( 1.066 -0.358 0.000) 1.124 27.267 ( -0.036 -3.201 0.000) 3.202 27.284 ( -0.947 -2.269 0.000) 2.458 27.299 ( -1.908 -4.863 0.000) 5.224 28.099 ( 3.623 7.191 0.000) 8.052 28.157 ( -1.520 7.597 0.000) 7.748 28.434 ( 2.066 -1.552 0.000) 2.584 28.461 ( -0.558 -0.891 0.000) 1.052 28.808 ( 3.875 -0.761 0.000) 3.949 28.905 ( -5.244 -2.442 0.000) 5.785 30.192 ( 3.536 -2.178 0.000) 4.153 30.261 ( -2.975 -2.640 0.000) 3.977 30.637 ( 1.280 2.379 0.000) 2.702 30.659 ( -0.765 0.812 0.000) 1.116 31.425 ( 1.699 2.285 0.000) 2.847 31.461 ( -1.777 2.155 0.000) 2.793 35.260 ( 7.152 -0.977 0.000) 7.218 35.417 ( -7.929 -3.376 0.000) 8.618 ======================= Grid point 12 (6/36) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 12.956 12.956 0.000) 18.323 1.975 ( 12.597 12.597 0.000) 17.815 2.232 ( -1.295 -1.295 0.000) 1.831 2.261 ( -5.719 -5.719 0.000) 8.088 2.381 ( 1.558 1.558 0.000) 2.203 2.431 ( -2.624 -2.624 0.000) 3.711 2.982 ( -0.523 -0.523 0.000) 0.740 3.003 ( 0.439 0.439 0.000) 0.621 3.148 ( -5.350 -5.350 0.000) 7.566 3.156 ( -3.789 -3.789 0.000) 5.358 3.696 ( 11.077 11.077 0.000) 15.665 3.790 ( 3.711 3.711 0.000) 5.248 4.066 ( 6.923 6.923 0.000) 9.791 4.224 ( -6.926 -6.926 0.000) 9.795 4.286 ( -2.397 -2.397 0.000) 3.389 4.319 ( -5.093 -5.093 0.000) 7.202 4.584 ( 7.314 7.314 0.000) 10.343 4.720 ( -3.228 -3.228 0.000) 4.564 5.494 ( 2.107 2.107 0.000) 2.979 5.531 ( -0.701 -0.701 0.000) 0.992 5.635 ( -0.530 -0.530 0.000) 0.749 5.708 ( -6.407 -6.407 0.000) 9.061 5.876 ( 0.469 0.469 0.000) 0.664 5.922 ( -2.466 -2.466 0.000) 3.488 6.333 ( -0.427 -0.427 0.000) 0.604 6.338 ( 1.232 1.232 0.000) 1.743 6.637 ( 3.215 3.215 0.000) 4.547 6.717 ( -1.264 -1.264 0.000) 1.788 7.039 ( 6.302 6.302 0.000) 8.912 7.159 ( -1.876 -1.876 0.000) 2.653 7.259 ( 4.894 4.894 0.000) 6.921 7.417 ( -9.059 -9.059 0.000) 12.811 7.525 ( -2.701 -2.701 0.000) 3.820 7.634 ( -11.199 -11.199 0.000) 15.837 8.133 ( 0.157 0.157 0.000) 0.222 8.138 ( 1.018 1.018 0.000) 1.440 9.251 ( 5.844 5.844 0.000) 8.265 9.340 ( -1.945 -1.945 0.000) 2.750 9.718 ( 16.842 16.842 0.000) 23.819 9.816 ( 13.834 13.834 0.000) 19.565 9.915 ( 22.814 22.814 0.000) 32.264 10.152 ( -0.970 -0.970 0.000) 1.372 10.228 ( -0.621 -0.621 0.000) 0.878 10.428 ( 3.150 3.150 0.000) 4.455 10.456 ( -9.656 -9.656 0.000) 13.655 10.758 ( -8.137 -8.137 0.000) 11.507 10.869 ( -1.882 -1.882 0.000) 2.662 11.105 ( -19.016 -19.016 0.000) 26.892 11.484 ( 5.532 5.532 0.000) 7.824 11.703 ( -12.418 -12.418 0.000) 17.561 11.886 ( -4.300 -4.300 0.000) 6.081 11.931 ( -6.585 -6.585 0.000) 9.312 11.999 ( 1.418 1.418 0.000) 2.006 12.058 ( -5.676 -5.676 0.000) 8.027 13.046 ( 9.635 9.635 0.000) 13.626 13.202 ( 2.802 2.802 0.000) 3.963 13.221 ( 0.935 0.935 0.000) 1.322 13.409 ( -8.016 -8.016 0.000) 11.336 13.652 ( 3.086 3.086 0.000) 4.364 13.663 ( 2.070 2.070 0.000) 2.927 14.134 ( 5.032 5.032 0.000) 7.116 14.282 ( 0.458 0.458 0.000) 0.648 14.299 ( 0.245 0.245 0.000) 0.346 14.565 ( -14.335 -14.335 0.000) 20.273 14.823 ( 7.375 7.375 0.000) 10.430 14.944 ( -1.397 -1.397 0.000) 1.975 15.045 ( 4.979 4.979 0.000) 7.042 15.162 ( -5.198 -5.198 0.000) 7.351 15.680 ( 4.741 4.741 0.000) 6.705 15.739 ( -0.767 -0.767 0.000) 1.085 16.266 ( -2.650 -2.650 0.000) 3.748 16.290 ( -4.872 -4.872 0.000) 6.890 16.446 ( 3.581 3.581 0.000) 5.064 16.463 ( 1.736 1.736 0.000) 2.454 17.327 ( 4.154 4.154 0.000) 5.874 17.406 ( -2.838 -2.838 0.000) 4.013 18.565 ( 1.750 1.750 0.000) 2.475 18.621 ( -3.546 -3.546 0.000) 5.015 18.971 ( 1.337 1.337 0.000) 1.890 19.086 ( -9.039 -9.039 0.000) 12.783 19.701 ( 3.282 3.282 0.000) 4.642 19.765 ( -2.843 -2.843 0.000) 4.021 20.372 ( 12.454 12.454 0.000) 17.613 20.531 ( 3.596 3.596 0.000) 5.086 20.731 ( 3.023 3.023 0.000) 4.276 20.960 ( -12.156 -12.156 0.000) 17.191 21.085 ( 5.331 5.331 0.000) 7.539 21.179 ( -3.836 -3.836 0.000) 5.424 21.417 ( 0.645 0.645 0.000) 0.912 21.425 ( -0.116 -0.116 0.000) 0.163 22.067 ( 1.551 1.551 0.000) 2.194 22.086 ( -0.240 -0.240 0.000) 0.340 22.580 ( 0.368 0.368 0.000) 0.521 22.604 ( -1.964 -1.964 0.000) 2.778 25.795 ( 1.206 1.206 0.000) 1.706 25.805 ( 0.328 0.328 0.000) 0.464 25.922 ( 0.532 0.532 0.000) 0.752 25.927 ( 0.087 0.087 0.000) 0.123 26.077 ( 7.598 7.598 0.000) 10.745 26.183 ( -1.923 -1.923 0.000) 2.719 27.034 ( -3.304 -3.304 0.000) 4.673 27.045 ( -3.614 -3.614 0.000) 5.111 27.219 ( -0.531 -0.531 0.000) 0.750 27.224 ( -1.153 -1.153 0.000) 1.631 27.268 ( 0.615 0.615 0.000) 0.869 27.278 ( -0.424 -0.424 0.000) 0.600 28.230 ( 5.326 5.326 0.000) 7.533 28.276 ( 2.311 2.311 0.000) 3.268 28.406 ( -0.226 -0.226 0.000) 0.320 28.434 ( -1.794 -1.794 0.000) 2.537 28.804 ( 0.839 0.839 0.000) 1.187 28.846 ( -3.025 -3.025 0.000) 4.279 30.174 ( 0.497 0.497 0.000) 0.703 30.206 ( -2.445 -2.445 0.000) 3.458 30.673 ( 0.962 0.962 0.000) 1.360 30.676 ( 0.592 0.592 0.000) 0.838 31.468 ( 1.751 1.751 0.000) 2.477 31.486 ( 0.103 0.103 0.000) 0.145 35.269 ( 2.044 2.044 0.000) 2.891 35.335 ( -4.207 -4.207 0.000) 5.950 ======================= Grid point 25 (7/36) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 0.000 38.290) 38.290 0.829 ( -0.000 -0.000 38.290) 38.290 1.521 ( 0.000 0.000 67.705) 67.705 2.360 ( -0.000 0.000 3.924) 3.924 2.360 ( 0.000 0.000 3.924) 3.924 2.557 ( 0.000 0.000 0.072) 0.072 2.886 ( 0.000 0.000 -1.066) 1.066 3.119 ( 0.000 0.000 -0.014) 0.014 3.208 ( 0.000 0.000 0.861) 0.861 3.208 ( 0.000 0.000 0.861) 0.861 3.348 ( 0.000 0.000 5.356) 5.356 3.657 ( -0.000 0.000 -2.610) 2.610 4.050 ( -0.000 -0.000 0.803) 0.803 4.408 ( 0.000 0.000 -2.029) 2.029 4.408 ( -0.000 -0.000 -2.029) 2.029 4.651 ( 0.000 0.000 1.499) 1.499 4.651 ( -0.000 0.000 1.499) 1.499 4.924 ( 0.000 0.000 -4.258) 4.258 5.618 ( 0.000 -0.000 1.307) 1.307 5.618 ( -0.000 0.000 1.307) 1.307 5.772 ( 0.000 0.000 -15.798) 15.798 5.859 ( 0.000 0.000 -5.038) 5.038 5.942 ( 0.000 0.000 10.120) 10.120 5.942 ( -0.000 0.000 10.120) 10.120 6.279 ( -0.000 0.000 10.732) 10.732 6.289 ( 0.000 0.000 3.778) 3.778 6.656 ( 0.000 0.000 6.211) 6.211 6.656 ( -0.000 0.000 6.211) 6.211 6.675 ( 0.000 0.000 4.307) 4.307 6.810 ( 0.000 0.000 8.579) 8.579 7.499 ( 0.000 0.000 -0.680) 0.680 7.630 ( -0.000 -0.000 -8.094) 8.094 7.630 ( -0.000 -0.000 -8.094) 8.094 8.500 ( -0.000 -0.000 12.196) 12.196 8.533 ( 0.000 0.000 -2.154) 2.154 8.533 ( 0.000 0.000 -2.154) 2.154 8.543 ( 0.000 0.000 3.149) 3.149 8.562 ( 0.000 0.000 -0.305) 0.305 8.615 ( 0.000 0.000 -15.702) 15.702 9.166 ( 0.000 0.000 2.470) 2.470 9.166 ( 0.000 0.000 2.470) 2.470 9.985 ( 0.000 0.000 24.886) 24.886 10.327 ( 0.000 -0.000 -16.394) 16.394 10.629 ( 0.000 0.000 -9.796) 9.796 10.629 ( 0.000 0.000 -9.796) 9.796 11.244 ( -0.000 -0.000 -9.561) 9.561 11.244 ( 0.000 0.000 -9.561) 9.561 11.453 ( 0.000 0.000 -6.048) 6.048 11.520 ( -0.000 -0.000 -1.060) 1.060 11.681 ( 0.000 0.000 1.605) 1.605 11.985 ( 0.000 0.000 -11.282) 11.282 12.082 ( 0.000 0.000 7.101) 7.101 12.082 ( 0.000 0.000 7.101) 7.101 12.432 ( 0.000 0.000 -8.072) 8.072 12.901 ( 0.000 0.000 -5.550) 5.550 12.917 ( 0.000 0.000 5.979) 5.979 12.917 ( 0.000 0.000 5.979) 5.979 13.392 ( 0.000 0.000 -11.026) 11.026 13.675 ( 0.000 0.000 -2.008) 2.008 13.675 ( 0.000 0.000 -2.008) 2.008 13.906 ( 0.000 0.000 0.412) 0.412 14.324 ( 0.000 0.000 -10.443) 10.443 14.324 ( -0.000 0.000 -10.443) 10.443 14.519 ( -0.000 -0.000 -5.354) 5.354 14.542 ( 0.000 0.000 2.081) 2.081 14.949 ( -0.000 -0.000 5.911) 5.911 15.046 ( 0.000 0.000 5.360) 5.360 15.046 ( 0.000 0.000 5.360) 5.360 15.829 ( 0.000 0.000 -9.202) 9.202 15.829 ( 0.000 0.000 -9.202) 9.202 16.155 ( -0.000 -0.000 -17.080) 17.080 16.177 ( 0.000 0.000 10.879) 10.879 16.474 ( 0.000 -0.000 -5.331) 5.331 17.000 ( 0.000 0.000 14.650) 14.650 17.091 ( -0.000 -0.000 3.600) 3.600 17.091 ( 0.000 0.000 3.600) 3.600 18.351 ( 0.000 0.000 -7.730) 7.730 19.093 ( 0.000 0.000 -4.755) 4.755 19.093 ( 0.000 0.000 -4.755) 4.755 19.208 ( 0.000 0.000 -10.051) 10.051 19.930 ( -0.000 0.000 -3.653) 3.653 19.930 ( 0.000 0.000 -3.653) 3.653 20.031 ( -0.000 0.000 -6.978) 6.978 20.078 ( 0.000 0.000 0.988) 0.988 20.369 ( 0.000 -0.000 2.036) 2.036 20.742 ( 0.000 0.000 11.423) 11.423 21.476 ( 0.000 0.000 6.578) 6.578 21.476 ( -0.000 -0.000 6.578) 6.578 21.527 ( 0.000 0.000 15.516) 15.516 21.527 ( 0.000 0.000 15.516) 15.516 21.594 ( 0.000 0.000 -0.213) 0.213 22.291 ( 0.000 0.000 17.294) 17.294 22.612 ( 0.000 0.000 5.111) 5.111 23.596 ( 0.000 0.000 8.966) 8.966 25.578 ( 0.000 0.000 0.232) 0.232 25.747 ( -0.000 -0.000 3.008) 3.008 25.747 ( -0.000 0.000 3.008) 3.008 25.943 ( 0.000 0.000 1.324) 1.324 26.285 ( 0.000 0.000 -3.393) 3.393 26.285 ( 0.000 -0.000 -3.393) 3.393 27.075 ( 0.000 0.000 -1.652) 1.652 27.173 ( 0.000 0.000 -13.711) 13.711 27.292 ( 0.000 0.000 0.919) 0.919 27.292 ( -0.000 0.000 0.919) 0.919 27.545 ( 0.000 -0.000 5.559) 5.559 27.545 ( 0.000 0.000 5.559) 5.559 27.646 ( 0.000 0.000 -6.039) 6.039 28.087 ( 0.000 0.000 6.562) 6.562 28.424 ( 0.000 0.000 3.410) 3.410 28.743 ( -0.000 0.000 0.014) 0.014 29.011 ( -0.000 -0.000 -1.134) 1.134 30.103 ( 0.000 0.000 -0.994) 0.994 30.103 ( 0.000 -0.000 -0.994) 0.994 30.276 ( 0.000 0.000 -3.433) 3.433 30.302 ( 0.000 0.000 2.446) 2.446 30.696 ( -0.000 -0.000 -0.875) 0.875 30.696 ( 0.000 0.000 -0.875) 0.875 31.441 ( -0.000 0.000 -4.156) 4.156 35.045 ( 0.000 0.000 -4.339) 4.339 35.045 ( 0.000 0.000 -4.339) 4.339 ======================= Grid point 26 (8/36) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 24.636 0.000 29.493) 38.429 1.281 ( 35.831 0.000 22.282) 42.195 1.914 ( 39.029 0.000 39.131) 55.268 2.292 ( -6.476 0.000 2.899) 7.095 2.372 ( 2.221 0.000 3.643) 4.266 2.560 ( -0.876 0.000 2.150) 2.321 2.860 ( -3.424 0.000 -0.574) 3.472 2.963 ( -7.763 0.000 1.995) 8.015 3.258 ( 2.555 0.000 1.010) 2.747 3.367 ( 7.201 0.000 0.175) 7.203 3.379 ( 5.195 0.000 5.070) 7.259 3.651 ( 0.403 0.000 -2.322) 2.356 3.931 ( -9.766 0.000 1.407) 9.867 4.331 ( -6.393 0.000 -0.738) 6.435 4.446 ( 2.240 0.000 -1.568) 2.735 4.591 ( -7.175 0.000 0.929) 7.235 4.639 ( -2.881 0.000 -3.259) 4.350 4.855 ( -5.986 0.000 -4.212) 7.319 5.491 ( -3.449 0.000 -2.114) 4.046 5.637 ( 1.480 0.000 0.863) 1.713 5.759 ( 1.961 0.000 6.468) 6.759 5.929 ( -3.348 0.000 7.921) 8.599 6.036 ( 8.550 0.000 2.808) 8.999 6.125 ( 4.716 0.000 5.326) 7.114 6.259 ( -0.044 0.000 8.624) 8.624 6.312 ( -15.727 0.000 4.751) 16.429 6.336 ( -0.240 0.000 1.063) 1.089 6.666 ( 15.519 0.000 -7.544) 17.255 6.953 ( 7.504 0.000 3.526) 8.291 6.976 ( 10.705 0.000 4.061) 11.450 7.372 ( -12.163 0.000 -0.256) 12.166 7.643 ( 1.652 0.000 -7.309) 7.494 7.746 ( 5.425 0.000 -5.670) 7.847 8.204 ( -20.222 0.000 -0.701) 20.234 8.346 ( -5.304 0.000 0.071) 5.304 8.534 ( -2.878 0.000 -3.223) 4.321 8.607 ( 10.061 0.000 2.188) 10.296 8.768 ( 7.515 0.000 -1.996) 7.776 8.778 ( 1.862 0.000 -3.257) 3.752 9.143 ( 4.420 0.000 -0.429) 4.441 9.277 ( 10.823 0.000 6.685) 12.722 10.031 ( -10.282 0.000 2.509) 10.584 10.159 ( 2.493 0.000 -0.364) 2.519 10.599 ( -5.879 0.000 -12.359) 13.686 10.831 ( 13.635 0.000 -9.785) 16.783 11.043 ( -14.954 0.000 -8.754) 17.328 11.106 ( -9.157 0.000 -9.753) 13.379 11.469 ( -4.674 0.000 -6.030) 7.629 11.512 ( -0.073 0.000 -2.416) 2.417 11.837 ( 9.974 0.000 9.148) 13.534 11.837 ( -9.782 0.000 -2.904) 10.204 12.144 ( 6.811 0.000 1.679) 7.015 12.262 ( 7.631 0.000 -8.468) 11.399 12.513 ( 10.395 0.000 -4.970) 11.522 12.879 ( 2.465 0.000 -5.268) 5.817 12.880 ( -8.145 0.000 7.996) 11.415 13.058 ( 7.887 0.000 3.459) 8.612 13.079 ( -6.133 0.000 -4.548) 7.635 13.650 ( -8.045 0.000 6.895) 10.596 13.711 ( 1.625 0.000 -1.298) 2.080 14.162 ( 16.829 0.000 -12.609) 21.028 14.252 ( -4.232 0.000 -10.818) 11.616 14.336 ( -3.018 0.000 -8.247) 8.782 14.525 ( -2.086 0.000 -6.810) 7.122 14.602 ( 5.831 0.000 -4.070) 7.110 14.841 ( -3.391 0.000 8.770) 9.403 15.119 ( 1.358 0.000 0.008) 1.358 15.261 ( 11.721 0.000 -5.404) 12.907 15.713 ( -10.772 0.000 -7.522) 13.139 15.715 ( -7.453 0.000 -5.039) 8.997 16.133 ( -0.393 0.000 -12.124) 12.131 16.230 ( 1.941 0.000 8.859) 9.069 16.463 ( -0.526 0.000 -6.831) 6.851 16.734 ( -11.934 0.000 10.985) 16.220 17.180 ( 8.690 0.000 5.252) 10.154 17.365 ( 12.633 0.000 6.820) 14.356 18.374 ( 1.842 0.000 -7.469) 7.693 18.893 ( -17.422 0.000 -4.248) 17.932 19.110 ( 2.730 0.000 -4.592) 5.342 19.308 ( 8.948 0.000 -9.996) 13.416 19.741 ( -13.853 0.000 -2.015) 13.999 19.888 ( -8.552 0.000 -1.164) 8.631 19.929 ( -0.146 0.000 -2.507) 2.511 20.125 ( -7.210 0.000 4.126) 8.307 20.441 ( 18.899 0.000 -3.119) 19.155 20.849 ( 9.718 0.000 10.679) 14.439 21.392 ( -7.414 0.000 2.019) 7.684 21.465 ( -5.482 0.000 12.211) 13.385 21.511 ( 1.149 0.000 12.654) 12.706 21.607 ( -0.631 0.000 6.769) 6.798 21.805 ( 18.264 0.000 0.577) 18.273 22.296 ( 0.108 0.000 17.301) 17.301 22.619 ( 1.381 0.000 5.766) 5.929 23.269 ( -21.562 0.000 24.540) 32.667 25.639 ( 5.762 0.000 -0.942) 5.838 25.751 ( 0.389 0.000 3.067) 3.092 25.763 ( 1.370 0.000 2.997) 3.295 25.931 ( -1.200 0.000 0.633) 1.356 26.130 ( -8.233 0.000 7.673) 11.254 26.253 ( -3.305 0.000 -2.107) 3.920 27.082 ( 0.202 0.000 -1.812) 1.823 27.146 ( -4.561 0.000 -3.217) 5.582 27.151 ( -2.028 0.000 -13.104) 13.260 27.268 ( -2.449 0.000 0.551) 2.510 27.471 ( -1.366 0.000 5.104) 5.284 27.494 ( -3.384 0.000 5.945) 6.841 27.895 ( 10.841 0.000 -3.234) 11.313 28.134 ( 2.587 0.000 6.709) 7.191 28.441 ( 2.115 0.000 3.394) 3.999 28.756 ( 1.520 0.000 0.005) 1.520 28.884 ( -15.216 0.000 12.615) 19.765 29.143 ( -20.548 0.000 19.004) 27.989 30.136 ( 3.099 0.000 -1.236) 3.337 30.277 ( -0.060 0.000 -3.273) 3.274 30.551 ( 1.794 0.000 -2.209) 2.846 30.679 ( -1.650 0.000 -1.044) 1.953 31.155 ( 14.772 0.000 -14.555) 20.738 31.424 ( -1.629 0.000 -4.234) 4.537 35.090 ( 4.262 0.000 -4.946) 6.529 35.288 ( 8.971 0.000 -17.555) 19.714 ======================= Grid point 27 (9/36) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 22.013 0.000 15.245) 26.777 2.000 ( 25.916 0.000 7.465) 26.970 2.115 ( -5.015 0.000 7.007) 8.617 2.353 ( 5.455 0.000 11.150) 12.413 2.484 ( -6.208 0.000 6.947) 9.317 2.535 ( -6.780 0.000 4.104) 7.925 2.778 ( 4.429 0.000 2.779) 5.229 2.864 ( -2.674 0.000 2.195) 3.460 3.326 ( 4.282 0.000 0.359) 4.297 3.403 ( -2.647 0.000 0.521) 2.698 3.654 ( 21.979 0.000 6.796) 23.005 3.697 ( 2.539 0.000 -0.587) 2.606 3.773 ( -1.179 0.000 1.866) 2.208 4.192 ( -13.936 0.000 1.080) 13.978 4.346 ( -9.066 0.000 0.030) 9.066 4.407 ( -6.703 0.000 -1.315) 6.831 4.632 ( 3.946 0.000 -2.542) 4.694 4.736 ( -5.566 0.000 -2.592) 6.140 5.513 ( 4.955 0.000 -1.525) 5.185 5.629 ( -4.057 0.000 -0.969) 4.171 5.791 ( 2.026 0.000 11.491) 11.668 5.839 ( -2.726 0.000 10.290) 10.645 6.021 ( -4.754 0.000 6.043) 7.689 6.031 ( -8.746 0.000 5.593) 10.381 6.293 ( 8.321 0.000 5.788) 10.137 6.358 ( 4.422 0.000 9.530) 10.505 6.521 ( 18.968 0.000 4.970) 19.609 6.882 ( -14.062 0.000 4.319) 14.710 6.891 ( 3.641 0.000 -6.071) 7.079 7.044 ( -15.375 0.000 -3.238) 15.713 7.270 ( 19.802 0.000 -1.885) 19.892 7.703 ( -14.471 0.000 -5.186) 15.372 7.807 ( -1.359 0.000 -0.916) 1.639 7.850 ( 3.922 0.000 -3.676) 5.375 8.282 ( 0.673 0.000 1.416) 1.568 8.420 ( -9.511 0.000 2.053) 9.730 8.747 ( 0.376 0.000 -0.912) 0.987 8.785 ( -1.304 0.000 -4.496) 4.682 8.959 ( 19.781 0.000 -6.078) 20.694 9.271 ( -2.826 0.000 -9.780) 10.180 9.560 ( 13.355 0.000 12.454) 18.261 9.711 ( -9.664 0.000 0.739) 9.692 10.362 ( 5.844 0.000 -2.188) 6.241 10.415 ( -8.218 0.000 -17.007) 18.888 10.752 ( -3.823 0.000 -9.611) 10.343 10.932 ( -10.959 0.000 -7.460) 13.257 11.089 ( 8.455 0.000 -5.407) 10.036 11.249 ( -11.275 0.000 -2.467) 11.541 11.572 ( 5.907 0.000 -3.019) 6.634 11.697 ( -5.655 0.000 -2.110) 6.036 12.010 ( 9.191 0.000 9.623) 13.307 12.220 ( -9.749 0.000 -1.712) 9.898 12.356 ( 12.932 0.000 1.956) 13.079 12.597 ( -8.592 0.000 5.814) 10.374 12.827 ( 5.647 0.000 -7.801) 9.631 12.910 ( -1.376 0.000 -7.055) 7.188 13.148 ( 10.836 0.000 -4.199) 11.621 13.216 ( 6.493 0.000 -2.111) 6.828 13.527 ( -3.590 0.000 4.567) 5.809 13.616 ( -10.779 0.000 1.281) 10.854 14.235 ( 0.848 0.000 -8.825) 8.866 14.256 ( -2.503 0.000 -4.697) 5.322 14.463 ( 10.894 0.000 -11.120) 15.567 14.493 ( 2.197 0.000 -2.518) 3.341 14.671 ( 1.322 0.000 -7.810) 7.921 14.783 ( -6.246 0.000 -9.277) 11.184 15.141 ( 5.001 0.000 5.496) 7.431 15.328 ( -8.285 0.000 2.632) 8.694 15.525 ( -0.917 0.000 -6.890) 6.951 15.597 ( -4.849 0.000 -3.268) 5.847 16.163 ( 2.638 0.000 -8.018) 8.441 16.216 ( -2.419 0.000 -0.786) 2.544 16.478 ( 2.274 0.000 1.223) 2.582 16.559 ( -6.029 0.000 8.016) 10.030 17.394 ( 10.665 0.000 7.267) 12.906 17.512 ( 0.747 0.000 7.904) 7.939 18.415 ( 2.933 0.000 -6.930) 7.525 18.557 ( -12.778 0.000 -5.050) 13.740 19.226 ( 8.923 0.000 -3.439) 9.562 19.456 ( -13.548 0.000 -2.096) 13.709 19.530 ( 12.248 0.000 -10.527) 16.150 19.747 ( -8.112 0.000 -9.283) 12.328 19.928 ( 0.313 0.000 0.760) 0.822 19.974 ( -5.484 0.000 4.595) 7.155 20.859 ( 20.169 0.000 -5.287) 20.850 21.070 ( 11.453 0.000 11.003) 15.882 21.196 ( -12.843 0.000 -3.912) 13.426 21.296 ( -10.830 0.000 11.775) 15.998 21.538 ( 1.536 0.000 12.987) 13.077 21.574 ( -2.004 0.000 11.652) 11.823 22.098 ( 11.166 0.000 5.585) 12.485 22.258 ( -4.770 0.000 12.945) 13.796 22.704 ( 7.575 0.000 11.426) 13.709 22.918 ( -13.744 0.000 20.226) 24.454 25.746 ( 2.423 0.000 0.306) 2.442 25.759 ( 0.229 0.000 2.945) 2.954 25.815 ( 4.795 0.000 0.410) 4.812 25.895 ( -2.581 0.000 -0.918) 2.739 26.062 ( 1.309 0.000 6.336) 6.470 26.153 ( -6.142 0.000 1.651) 6.360 27.077 ( 0.373 0.000 -7.588) 7.598 27.105 ( -2.209 0.000 -10.843) 11.066 27.147 ( 2.322 0.000 -3.059) 3.840 27.206 ( -3.329 0.000 -1.127) 3.515 27.452 ( -0.790 0.000 5.831) 5.884 27.452 ( -0.575 0.000 5.534) 5.564 28.053 ( 5.688 0.000 2.638) 6.270 28.135 ( -2.407 0.000 5.984) 6.450 28.512 ( 4.525 0.000 6.080) 7.579 28.628 ( -8.108 0.000 13.533) 15.776 28.819 ( 4.990 0.000 0.158) 4.992 28.943 ( -6.978 0.000 1.849) 7.219 30.208 ( 3.575 0.000 -1.896) 4.047 30.263 ( -1.665 0.000 -2.716) 3.186 30.587 ( 2.136 0.000 -1.619) 2.680 30.635 ( -2.538 0.000 -1.369) 2.884 31.313 ( 4.324 0.000 -7.281) 8.468 31.380 ( -2.733 0.000 -4.841) 5.559 35.201 ( 6.379 0.000 -6.996) 9.468 35.315 ( -3.870 0.000 -11.372) 12.013 ======================= Grid point 31 (10/36) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 19.403 19.403 18.962) 33.355 1.517 ( 16.909 16.909 29.102) 37.666 2.294 ( -1.746 -1.746 3.660) 4.415 2.317 ( 8.627 8.627 4.998) 13.184 2.409 ( 24.504 24.504 15.992) 38.166 2.578 ( 1.120 1.120 3.092) 3.474 2.674 ( -10.791 -10.791 1.850) 15.372 3.014 ( 0.272 0.272 0.953) 1.027 3.300 ( 1.063 1.063 2.390) 2.823 3.328 ( -0.149 -0.149 1.505) 1.520 3.503 ( 8.711 8.711 4.230) 13.025 3.655 ( 1.065 1.065 -2.047) 2.541 3.800 ( -8.885 -8.885 2.239) 12.764 4.362 ( -1.838 -1.838 -0.361) 2.624 4.382 ( -1.131 -1.131 -0.436) 1.657 4.558 ( -4.164 -4.164 2.076) 6.244 4.590 ( -4.547 -4.547 -3.334) 7.243 4.819 ( -3.935 -3.935 -5.404) 7.757 5.481 ( 0.003 0.003 -0.868) 0.868 5.655 ( 1.156 1.156 0.606) 1.744 5.756 ( -2.577 -2.577 11.729) 12.282 5.940 ( 3.116 3.116 6.077) 7.507 6.045 ( -3.106 -3.106 4.534) 6.313 6.086 ( -8.357 -8.357 5.063) 12.857 6.210 ( 2.924 2.924 10.165) 10.974 6.257 ( 9.841 9.841 -0.897) 13.946 6.615 ( 5.828 5.828 1.291) 8.343 6.673 ( -3.763 -3.763 9.384) 10.788 6.889 ( 9.958 9.958 -7.286) 15.855 7.064 ( 0.553 0.553 0.644) 1.014 7.315 ( -6.480 -6.480 -1.324) 9.259 7.571 ( -1.728 -1.728 -6.453) 6.900 7.804 ( 0.542 0.542 -1.049) 1.299 8.067 ( -13.858 -13.858 -5.578) 20.377 8.091 ( -10.842 -10.842 1.577) 15.413 8.418 ( -12.476 -12.476 -1.479) 17.705 8.719 ( 13.731 13.731 -2.349) 19.560 8.976 ( 11.786 11.786 -3.283) 16.988 9.005 ( 14.093 14.093 5.333) 20.632 9.201 ( 12.261 12.261 -6.245) 18.430 9.449 ( 8.514 8.514 1.819) 12.177 10.018 ( -6.214 -6.214 -12.561) 15.330 10.141 ( 5.447 5.447 15.175) 17.018 10.669 ( -6.492 -6.492 -8.966) 12.832 10.694 ( -3.444 -3.444 -19.114) 19.725 10.948 ( -4.711 -4.711 -0.962) 6.731 10.956 ( -8.061 -8.061 -4.721) 12.338 11.531 ( 0.895 0.895 -3.114) 3.361 11.629 ( -8.287 -8.287 6.731) 13.514 11.722 ( 6.942 6.942 -9.764) 13.846 11.837 ( -2.443 -2.443 -7.843) 8.570 12.100 ( -4.403 -4.403 0.734) 6.270 12.256 ( -5.491 -5.491 -1.906) 7.996 12.586 ( 14.017 14.017 0.776) 19.838 12.702 ( -13.460 -13.460 6.842) 20.227 12.953 ( 5.996 5.996 -8.025) 11.674 13.057 ( -1.573 -1.573 -3.697) 4.315 13.182 ( 9.614 9.614 2.856) 13.893 13.570 ( -3.665 -3.665 2.215) 5.636 13.731 ( -0.185 -0.185 -1.758) 1.777 14.114 ( 0.142 0.142 -3.523) 3.529 14.231 ( -2.196 -2.196 -8.546) 9.093 14.329 ( -0.055 -0.055 -6.895) 6.896 14.567 ( 1.152 1.152 -1.890) 2.496 14.679 ( 3.618 3.618 -17.757) 18.480 14.917 ( -0.159 -0.159 5.810) 5.815 14.999 ( -1.861 -1.861 3.154) 4.108 15.434 ( 9.646 9.646 -5.005) 14.530 15.501 ( -11.838 -11.838 -4.685) 17.385 15.758 ( -0.852 -0.852 -3.936) 4.116 16.102 ( 0.039 0.039 -8.436) 8.436 16.341 ( 3.788 3.788 6.057) 8.086 16.397 ( -4.753 -4.753 -9.767) 11.857 16.675 ( -3.986 -3.986 10.878) 12.252 17.204 ( 5.400 5.400 6.703) 10.161 17.481 ( 6.864 6.864 7.257) 12.120 18.401 ( 2.220 2.220 -7.146) 7.805 18.843 ( -8.653 -8.653 -3.629) 12.764 18.976 ( -5.226 -5.226 -2.787) 7.898 19.368 ( 5.562 5.562 -11.555) 13.978 19.557 ( -13.668 -13.668 -1.457) 19.384 19.793 ( -5.089 -5.089 -8.434) 11.087 20.050 ( 5.282 5.282 5.095) 9.041 20.305 ( 3.381 3.381 -1.417) 4.987 20.433 ( 10.765 10.765 -1.987) 15.353 20.900 ( 6.135 6.135 9.624) 12.957 21.342 ( -5.397 -5.397 3.799) 8.526 21.495 ( 0.944 0.944 7.255) 7.376 21.529 ( -5.712 -5.712 7.711) 11.167 21.540 ( 0.459 0.459 14.450) 14.464 21.924 ( 10.116 10.116 1.475) 14.382 22.303 ( 0.475 0.475 18.284) 18.296 22.621 ( 0.573 0.573 5.896) 5.951 23.101 ( -12.838 -12.838 24.390) 30.405 25.681 ( 3.896 3.896 -1.667) 5.757 25.750 ( 0.330 0.330 1.293) 1.374 25.811 ( 4.055 4.055 3.825) 6.893 25.903 ( -2.045 -2.045 0.544) 2.942 26.112 ( -1.068 -1.068 8.882) 9.010 26.239 ( -2.172 -2.172 -3.588) 4.723 27.084 ( -0.338 -0.338 -3.193) 3.228 27.105 ( -2.349 -2.349 -5.797) 6.681 27.145 ( -0.418 -0.418 -10.902) 10.918 27.274 ( -0.875 -0.875 0.818) 1.483 27.372 ( -4.255 -4.255 6.105) 8.572 27.459 ( -3.764 -3.764 6.357) 8.291 27.998 ( 7.370 7.370 -1.346) 10.510 28.202 ( 4.548 4.548 6.769) 9.337 28.439 ( 0.458 0.458 3.148) 3.214 28.761 ( -9.813 -9.813 18.023) 22.746 28.762 ( 0.929 0.929 0.010) 1.314 29.035 ( -6.416 -6.416 6.833) 11.358 30.125 ( 0.900 0.900 -1.431) 1.916 30.272 ( -0.938 -0.938 -2.991) 3.272 30.587 ( 1.995 1.995 -2.008) 3.463 30.661 ( -1.024 -1.024 -1.029) 1.777 31.263 ( 6.287 6.287 -11.054) 14.186 31.422 ( -0.411 -0.411 -4.830) 4.864 35.101 ( 2.494 2.494 -4.975) 6.098 35.341 ( 1.434 1.434 -15.184) 15.319 ======================= Grid point 32 (11/36) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 20.128 7.900 10.374) 23.983 1.950 ( 23.599 0.840 14.623) 27.775 2.146 ( -11.406 4.795 2.827) 12.691 2.381 ( -2.101 -1.759 4.453) 5.228 2.429 ( -8.166 -4.924 4.545) 10.563 2.569 ( -1.821 1.766 5.151) 5.742 2.873 ( 7.328 10.537 4.133) 13.484 3.011 ( -0.486 5.775 3.013) 6.532 3.277 ( -0.083 -4.457 0.988) 4.566 3.367 ( 0.310 -3.678 2.118) 4.255 3.570 ( 4.005 -0.072 4.801) 6.253 3.671 ( -2.251 0.342 0.459) 2.323 3.922 ( 20.298 10.344 2.081) 22.877 4.263 ( -6.233 2.876 0.549) 6.887 4.348 ( -6.172 -1.570 0.153) 6.370 4.412 ( -8.623 0.847 0.810) 8.702 4.561 ( 3.912 -5.737 -1.865) 7.189 4.696 ( -7.345 -1.831 -3.511) 8.345 5.519 ( 3.544 1.742 1.475) 4.215 5.657 ( -2.127 0.782 1.326) 2.625 5.710 ( -0.644 -3.372 10.873) 11.402 5.875 ( -6.323 -2.835 7.870) 10.486 5.949 ( 1.079 -0.433 6.733) 6.833 6.084 ( -2.855 -1.227 9.102) 9.618 6.313 ( 7.255 5.281 6.214) 10.915 6.432 ( 0.336 2.506 8.342) 8.716 6.591 ( 11.210 5.660 -0.404) 12.565 6.737 ( -1.106 -4.616 5.565) 7.314 6.952 ( -8.314 1.362 -3.048) 8.959 7.094 ( -7.747 3.363 -1.491) 8.576 7.217 ( 13.472 -4.125 -2.346) 14.283 7.590 ( -3.519 -10.054 -4.009) 11.382 7.659 ( -8.255 -8.469 -0.103) 11.827 7.894 ( -3.511 -14.448 -2.222) 15.034 7.998 ( 2.104 1.009 -4.574) 5.135 8.203 ( -7.989 -11.368 0.202) 13.896 8.980 ( 8.050 6.752 -10.601) 14.925 9.108 ( 5.488 19.982 -5.886) 21.541 9.309 ( 10.613 21.973 0.643) 24.410 9.406 ( 5.433 20.808 -4.956) 22.069 9.583 ( 1.772 8.446 4.446) 9.707 9.887 ( -1.793 12.326 4.031) 13.092 10.257 ( -1.154 -4.334 -8.415) 9.535 10.502 ( -1.994 2.202 -6.632) 7.266 10.599 ( -1.523 -14.564 -8.055) 16.712 10.859 ( -1.805 -4.992 -5.988) 8.002 10.979 ( 3.900 -7.270 -1.969) 8.482 11.223 ( -20.488 -1.438 -0.756) 20.552 11.650 ( 3.947 -7.034 -3.253) 8.697 11.735 ( 3.004 7.449 -3.485) 8.755 11.929 ( -2.590 -11.635 -1.774) 12.051 11.969 ( -1.282 -8.657 -0.172) 8.754 12.213 ( 1.713 -12.210 4.067) 12.983 12.419 ( -12.446 -17.294 6.890) 22.393 12.886 ( 10.049 5.869 -4.144) 12.353 13.003 ( -0.943 6.438 -7.834) 10.184 13.148 ( 11.449 2.739 -4.326) 12.542 13.354 ( 1.468 6.329 -2.378) 6.918 13.522 ( 1.055 2.268 -1.132) 2.745 13.665 ( -5.997 -0.242 0.277) 6.009 14.082 ( -2.786 -5.478 -5.273) 8.098 14.220 ( -1.178 -2.269 -2.858) 3.835 14.380 ( 8.107 -3.802 -7.554) 11.715 14.580 ( -7.550 -2.661 -10.203) 12.969 14.693 ( 6.758 3.267 -9.697) 12.263 14.850 ( -5.227 6.026 -1.346) 8.090 15.054 ( 5.301 -2.990 5.719) 8.352 15.256 ( -10.969 -5.685 1.304) 12.423 15.599 ( 5.585 3.502 -1.503) 6.761 15.733 ( -1.376 10.252 -4.421) 11.249 16.136 ( 2.996 -1.224 -9.494) 10.030 16.234 ( -6.796 -0.993 -6.864) 9.710 16.396 ( -0.348 -6.370 4.728) 7.940 16.637 ( -0.181 6.407 9.351) 11.337 17.382 ( 10.193 0.858 8.688) 13.421 17.539 ( -2.216 1.259 9.331) 9.673 18.450 ( 3.217 2.885 -6.515) 7.818 18.583 ( -11.165 2.073 -4.884) 12.361 19.041 ( 7.864 -13.708 -3.687) 16.228 19.282 ( -12.547 -14.731 -1.995) 19.453 19.509 ( 7.933 0.251 -12.876) 15.126 19.675 ( -6.875 -2.097 -10.258) 12.525 20.136 ( 3.496 13.161 4.355) 14.297 20.230 ( -4.364 19.074 -0.446) 19.572 20.807 ( 18.366 -4.912 -2.883) 19.228 21.059 ( 7.505 1.351 6.759) 10.190 21.194 ( -8.821 -1.850 0.358) 9.020 21.312 ( -11.135 -1.866 10.052) 15.117 21.532 ( 1.188 -0.507 10.597) 10.675 21.551 ( -0.321 -0.885 12.593) 12.628 22.120 ( 7.699 3.651 6.841) 10.927 22.290 ( -2.212 2.145 16.314) 16.603 22.667 ( 4.128 -3.673 10.535) 11.896 22.866 ( -9.319 -4.169 17.304) 20.091 25.736 ( 0.701 1.480 0.282) 1.662 25.780 ( 2.613 0.388 -0.345) 2.664 25.844 ( -1.892 0.478 -0.236) 1.966 25.946 ( 6.864 5.297 1.124) 8.743 26.093 ( -1.342 2.869 5.746) 6.561 26.158 ( -4.879 0.258 0.832) 4.957 27.062 ( -0.701 -1.634 -7.177) 7.394 27.074 ( -1.223 -2.419 -7.751) 8.212 27.158 ( 1.622 0.725 -4.625) 4.954 27.217 ( -3.122 1.084 -0.060) 3.305 27.356 ( 1.099 -6.417 5.399) 8.458 27.393 ( -2.475 -5.400 6.185) 8.576 28.129 ( 5.183 6.528 2.554) 8.718 28.232 ( -1.658 7.638 5.749) 9.703 28.490 ( 4.340 -2.130 5.540) 7.352 28.595 ( -6.318 -3.004 11.887) 13.793 28.809 ( 3.980 -0.791 0.101) 4.059 28.914 ( -5.937 -2.757 1.209) 6.657 30.173 ( 3.243 -2.136 -1.852) 4.303 30.236 ( -2.631 -2.440 -2.442) 4.341 30.619 ( 1.379 2.282 -1.758) 3.193 30.643 ( -0.985 0.709 -1.465) 1.902 31.351 ( 2.892 2.869 -6.910) 8.021 31.402 ( -1.596 1.759 -5.247) 5.760 35.189 ( 5.705 -0.523 -6.473) 8.644 35.301 ( -4.699 -1.651 -9.912) 11.094 ======================= Grid point 37 (12/36) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 9.047 9.047 3.201) 13.189 2.092 ( 9.333 9.333 9.991) 16.554 2.210 ( -2.973 -2.973 1.597) 4.497 2.312 ( -1.392 -1.392 -0.981) 2.199 2.364 ( -2.472 -2.472 6.613) 7.480 2.591 ( 0.991 0.991 9.420) 9.524 2.964 ( -2.101 -2.101 0.895) 3.103 2.987 ( -3.009 -3.009 1.691) 4.580 3.266 ( -0.547 -0.547 7.299) 7.340 3.273 ( -0.811 -0.811 7.873) 7.956 3.691 ( 9.201 9.201 0.089) 13.012 3.771 ( 3.595 3.595 -1.392) 5.272 4.068 ( 5.685 5.685 0.129) 8.041 4.215 ( -7.155 -7.155 -0.856) 10.154 4.317 ( -1.958 -1.958 2.667) 3.844 4.365 ( -4.137 -4.137 3.871) 7.015 4.538 ( 5.241 5.241 -3.263) 8.099 4.690 ( -0.999 -0.999 -3.132) 3.436 5.596 ( 4.818 4.818 6.584) 9.476 5.657 ( -0.774 -0.774 13.518) 13.563 5.677 ( 1.287 1.287 2.596) 3.171 5.820 ( -3.539 -3.539 1.084) 5.121 5.843 ( -6.198 -6.198 12.207) 15.029 6.071 ( -1.336 -1.336 9.510) 9.696 6.404 ( 0.106 0.106 6.632) 6.634 6.411 ( 0.782 0.782 6.934) 7.021 6.703 ( 4.908 4.908 6.058) 9.213 6.755 ( 2.342 2.342 2.154) 3.951 7.014 ( 3.980 3.980 0.132) 5.630 7.110 ( -2.237 -2.237 -3.922) 5.039 7.184 ( 2.127 2.127 -5.183) 5.993 7.403 ( -6.888 -6.888 -7.592) 12.350 7.468 ( -8.073 -8.073 5.449) 12.650 7.668 ( -5.342 -5.342 -0.469) 7.569 8.045 ( 0.840 0.840 -7.538) 7.631 8.069 ( -2.701 -2.701 -5.018) 6.307 9.049 ( 0.974 0.974 -12.168) 12.245 9.425 ( 6.822 6.822 -0.027) 9.648 9.501 ( 11.458 11.458 -9.421) 18.744 9.903 ( 14.796 14.796 -1.417) 20.972 9.996 ( 12.387 12.387 1.572) 17.588 10.058 ( 5.123 5.123 -5.517) 9.106 10.157 ( -0.547 -0.547 -5.631) 5.684 10.402 ( 1.968 1.968 -4.107) 4.961 10.518 ( -0.183 -0.183 8.835) 8.839 10.735 ( -6.456 -6.456 -2.687) 9.518 10.864 ( -1.011 -1.011 -1.947) 2.415 11.127 ( -19.188 -19.188 0.824) 27.149 11.317 ( -8.132 -8.132 -14.447) 18.466 11.731 ( 0.212 0.212 5.608) 5.616 11.893 ( 1.713 1.713 -6.870) 7.285 11.932 ( -3.851 -3.851 -0.357) 5.458 11.960 ( -7.418 -7.418 3.381) 11.022 12.114 ( -8.632 -8.632 4.411) 12.980 13.029 ( 7.513 7.513 -3.804) 11.285 13.115 ( 2.441 2.441 -8.686) 9.347 13.195 ( 4.036 4.036 -1.865) 6.004 13.381 ( -7.081 -7.081 -2.005) 10.213 13.574 ( 1.218 1.218 -5.797) 6.047 13.588 ( -0.829 -0.829 -4.869) 5.008 14.079 ( 0.961 0.961 -9.334) 9.432 14.242 ( 1.590 1.590 -3.408) 4.083 14.309 ( 2.051 2.051 1.078) 3.095 14.474 ( -9.020 -9.020 -7.215) 14.655 14.763 ( 6.617 6.617 -5.397) 10.803 14.917 ( -2.329 -2.329 -2.973) 4.437 15.081 ( 5.497 5.497 4.342) 8.905 15.184 ( -3.649 -3.649 2.607) 5.781 15.591 ( -1.111 -1.111 -0.533) 1.660 15.930 ( 7.122 7.122 -4.228) 10.923 16.123 ( -0.587 -0.587 -13.404) 13.430 16.154 ( -5.294 -5.294 -13.033) 15.030 16.287 ( -3.099 -3.099 13.065) 13.780 16.754 ( 3.712 3.712 10.384) 11.635 17.452 ( 5.195 5.195 11.549) 13.688 17.535 ( -2.065 -2.065 11.843) 12.198 18.504 ( 2.147 2.147 -5.132) 5.963 18.586 ( -2.726 -2.726 -3.291) 5.069 18.873 ( 0.073 0.073 -7.534) 7.534 19.006 ( -11.158 -11.158 -5.856) 16.832 19.520 ( 0.397 0.397 -18.881) 18.890 19.648 ( -0.739 -0.739 -7.207) 7.283 20.355 ( 7.344 7.344 2.948) 10.797 20.577 ( 9.424 9.424 1.290) 13.389 20.742 ( 3.921 3.921 0.868) 5.613 21.060 ( -11.659 -11.659 3.662) 16.890 21.123 ( 3.727 3.727 3.751) 6.470 21.209 ( -5.002 -5.002 4.705) 8.496 21.536 ( 0.578 0.578 10.544) 10.576 21.554 ( 0.387 0.387 12.290) 12.302 22.237 ( 6.218 6.218 12.804) 15.533 22.317 ( 0.153 0.153 19.725) 19.727 22.571 ( -4.580 -4.580 8.019) 10.308 22.798 ( -1.958 -1.958 11.803) 12.124 25.777 ( 0.971 0.971 -0.867) 1.623 25.792 ( 1.698 1.698 -0.265) 2.415 25.831 ( -1.439 -1.439 -0.342) 2.063 26.054 ( 4.447 4.447 -2.395) 6.730 26.149 ( 1.296 1.296 9.966) 10.133 26.150 ( -0.632 -0.632 -3.039) 3.168 27.022 ( -1.709 -1.709 -4.731) 5.313 27.023 ( -1.851 -1.851 -4.067) 4.836 27.174 ( 0.808 0.808 -2.815) 3.038 27.239 ( -0.277 -0.277 1.149) 1.214 27.261 ( -0.964 -0.964 2.223) 2.608 27.303 ( -3.239 -3.239 3.745) 5.917 28.262 ( 5.560 5.560 4.051) 8.845 28.366 ( 3.151 3.151 7.111) 8.392 28.446 ( -0.047 -0.047 3.750) 3.751 28.521 ( -4.221 -4.221 8.247) 10.181 28.805 ( 0.840 0.840 0.026) 1.188 28.848 ( -3.236 -3.236 0.307) 4.586 30.155 ( 0.394 0.394 -1.864) 1.946 30.185 ( -2.236 -2.236 -2.062) 3.775 30.653 ( 0.962 0.962 -1.872) 2.314 30.657 ( 0.454 0.454 -1.724) 1.840 31.397 ( 1.361 1.361 -6.739) 7.009 31.429 ( 0.693 0.693 -5.165) 5.257 35.201 ( 1.767 1.767 -6.250) 6.732 35.251 ( -2.935 -2.935 -7.524) 8.593 ======================= Grid point 50 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 0.000 29.699) 29.699 1.539 ( 0.000 -0.000 29.699) 29.699 2.460 ( -0.000 -0.000 5.260) 5.260 2.460 ( 0.000 0.000 5.260) 5.260 2.555 ( 0.000 0.000 -0.392) 0.392 2.627 ( 0.000 0.000 35.848) 35.848 2.856 ( 0.000 0.000 -1.643) 1.643 3.135 ( 0.000 0.000 1.657) 1.657 3.246 ( 0.000 0.000 2.962) 2.962 3.246 ( 0.000 0.000 2.962) 2.962 3.545 ( -0.000 -0.000 13.716) 13.716 3.599 ( -0.000 -0.000 -2.170) 2.170 4.080 ( 0.000 0.000 2.356) 2.356 4.358 ( -0.000 0.000 -2.754) 2.754 4.358 ( 0.000 0.000 -2.754) 2.754 4.654 ( 0.000 0.000 -1.457) 1.457 4.654 ( -0.000 0.000 -1.457) 1.457 4.824 ( -0.000 -0.000 -4.917) 4.917 5.425 ( 0.000 0.000 -16.794) 16.794 5.665 ( 0.000 0.000 3.823) 3.823 5.665 ( 0.000 -0.000 3.823) 3.823 5.715 ( 0.000 0.000 -8.587) 8.587 6.121 ( 0.000 0.000 4.748) 4.748 6.121 ( 0.000 -0.000 4.748) 4.748 6.375 ( 0.000 -0.000 3.758) 3.758 6.610 ( 0.000 0.000 23.860) 23.860 6.811 ( 0.000 0.000 8.953) 8.953 6.917 ( -0.000 -0.000 16.746) 16.746 6.917 ( 0.000 0.000 16.746) 16.746 7.026 ( 0.000 0.000 11.181) 11.181 7.488 ( 0.000 0.000 -0.271) 0.271 7.495 ( 0.000 0.000 -0.529) 0.529 7.495 ( 0.000 -0.000 -0.529) 0.529 8.367 ( 0.000 0.000 -7.946) 7.946 8.487 ( 0.000 0.000 -2.528) 2.528 8.487 ( 0.000 0.000 -2.528) 2.528 8.583 ( 0.000 0.000 3.193) 3.193 8.679 ( 0.000 0.000 10.986) 10.986 8.827 ( 0.000 0.000 18.473) 18.473 9.202 ( 0.000 -0.000 1.098) 1.098 9.202 ( 0.000 -0.000 1.098) 1.098 9.863 ( -0.000 0.000 -26.260) 26.260 10.372 ( 0.000 0.000 -13.532) 13.532 10.372 ( 0.000 0.000 -13.532) 13.532 10.440 ( 0.000 -0.000 16.665) 16.665 11.036 ( -0.000 0.000 -10.790) 10.790 11.036 ( 0.000 0.000 -10.790) 10.790 11.286 ( 0.000 0.000 -9.600) 9.600 11.534 ( 0.000 0.000 1.852) 1.852 11.594 ( 0.000 0.000 -25.637) 25.637 11.755 ( 0.000 0.000 5.915) 5.915 12.207 ( -0.000 -0.000 4.432) 4.432 12.207 ( 0.000 0.000 4.432) 4.432 12.287 ( 0.000 0.000 -5.425) 5.425 12.757 ( 0.000 0.000 -7.556) 7.556 13.032 ( 0.000 0.000 -22.702) 22.702 13.050 ( 0.000 -0.000 5.720) 5.720 13.050 ( -0.000 -0.000 5.720) 5.720 13.592 ( 0.000 0.000 -6.803) 6.803 13.592 ( -0.000 0.000 -6.803) 6.803 13.971 ( 0.000 0.000 5.280) 5.280 14.128 ( 0.000 0.000 -7.165) 7.165 14.128 ( -0.000 -0.000 -7.165) 7.165 14.179 ( -0.000 -0.000 -25.558) 25.558 14.590 ( 0.000 -0.000 2.299) 2.299 15.087 ( 0.000 0.000 -2.653) 2.653 15.087 ( 0.000 -0.000 -2.653) 2.653 15.207 ( 0.000 0.000 15.641) 15.641 15.620 ( 0.000 0.000 -9.087) 9.087 15.620 ( 0.000 0.000 -9.087) 9.087 15.732 ( 0.000 0.000 -23.200) 23.200 16.328 ( 0.000 0.000 -8.324) 8.324 16.487 ( 0.000 0.000 18.353) 18.353 17.154 ( 0.000 0.000 1.696) 1.696 17.154 ( 0.000 0.000 1.696) 1.696 17.320 ( 0.000 0.000 15.444) 15.444 18.178 ( 0.000 0.000 -7.997) 7.997 18.949 ( 0.000 -0.000 -13.969) 13.969 18.977 ( 0.000 0.000 -5.737) 5.737 18.977 ( 0.000 0.000 -5.737) 5.737 19.811 ( 0.000 0.000 -13.144) 13.144 19.917 ( 0.000 0.000 3.155) 3.155 19.917 ( 0.000 0.000 3.155) 3.155 20.105 ( 0.000 0.000 1.495) 1.495 20.470 ( -0.000 0.000 7.225) 7.225 21.056 ( 0.000 0.000 17.989) 17.989 21.588 ( 0.000 0.000 -0.428) 0.428 21.607 ( -0.000 -0.000 6.204) 6.204 21.607 ( 0.000 0.000 6.204) 6.204 21.927 ( 0.000 0.000 20.758) 20.758 21.927 ( 0.000 -0.000 20.758) 20.758 22.730 ( 0.000 0.000 23.348) 23.348 22.747 ( 0.000 0.000 7.486) 7.486 23.823 ( -0.000 0.000 11.835) 11.835 25.587 ( 0.000 0.000 0.618) 0.618 25.822 ( 0.000 0.000 3.706) 3.706 25.822 ( 0.000 0.000 3.706) 3.706 25.974 ( 0.000 0.000 1.408) 1.408 26.192 ( 0.000 0.000 -5.025) 5.025 26.192 ( 0.000 0.000 -5.025) 5.025 26.822 ( -0.000 -0.000 -19.012) 19.012 27.027 ( 0.000 0.000 -2.887) 2.887 27.327 ( -0.000 -0.000 2.289) 2.289 27.327 ( 0.000 -0.000 2.289) 2.289 27.483 ( 0.000 0.000 -9.071) 9.071 27.698 ( 0.000 0.000 8.874) 8.874 27.698 ( 0.000 -0.000 8.874) 8.874 28.281 ( -0.000 0.000 11.868) 11.868 28.484 ( 0.000 0.000 1.925) 1.925 28.744 ( 0.000 0.000 0.048) 0.048 28.984 ( 0.000 0.000 -1.346) 1.346 30.071 ( 0.000 0.000 -2.063) 2.063 30.071 ( 0.000 0.000 -2.063) 2.063 30.177 ( 0.000 0.000 -5.922) 5.922 30.362 ( 0.000 0.000 3.066) 3.066 30.674 ( -0.000 0.000 -1.128) 1.128 30.674 ( -0.000 0.000 -1.128) 1.128 31.319 ( 0.000 0.000 -7.528) 7.528 34.926 ( 0.000 0.000 -6.801) 6.801 34.926 ( 0.000 -0.000 -6.801) 6.801 ======================= Grid point 51 (14/36) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 20.314 0.000 22.294) 30.162 1.795 ( 17.854 0.000 22.467) 28.697 2.367 ( -6.508 0.000 4.126) 7.706 2.447 ( 1.249 0.000 4.589) 4.756 2.605 ( 2.295 0.000 1.879) 2.966 2.692 ( 3.888 0.000 24.449) 24.756 2.859 ( 1.001 0.000 2.056) 2.287 3.027 ( -5.298 0.000 4.200) 6.760 3.309 ( 4.985 0.000 3.898) 6.328 3.382 ( 6.627 0.000 1.183) 6.732 3.573 ( 4.639 0.000 13.458) 14.235 3.609 ( 2.132 0.000 -0.865) 2.301 3.975 ( -8.612 0.000 2.950) 9.103 4.312 ( -3.791 0.000 -1.088) 3.944 4.401 ( 3.299 0.000 -2.776) 4.312 4.582 ( -8.594 0.000 -1.879) 8.797 4.587 ( -5.366 0.000 -2.364) 5.863 4.756 ( -5.023 0.000 -5.062) 7.132 5.344 ( -1.193 0.000 -10.814) 10.880 5.662 ( -1.067 0.000 2.050) 2.311 5.818 ( 10.892 0.000 -2.500) 11.175 6.022 ( 21.566 0.000 0.968) 21.588 6.072 ( -3.694 0.000 3.606) 5.162 6.211 ( 7.021 0.000 -0.120) 7.022 6.417 ( 2.535 0.000 7.210) 7.642 6.546 ( -1.586 0.000 22.554) 22.610 6.554 ( -12.664 0.000 16.067) 20.458 6.831 ( -2.214 0.000 18.308) 18.441 7.089 ( 4.005 0.000 9.104) 9.945 7.156 ( 8.175 0.000 11.896) 14.434 7.378 ( -8.799 0.000 0.290) 8.804 7.539 ( 3.353 0.000 1.708) 3.763 7.613 ( 9.013 0.000 -3.680) 9.735 8.236 ( -16.087 0.000 3.759) 16.520 8.343 ( -7.614 0.000 -0.257) 7.619 8.484 ( 2.335 0.000 -2.398) 3.347 8.669 ( -1.260 0.000 0.303) 1.296 8.696 ( 0.367 0.000 -1.623) 1.664 8.810 ( 5.817 0.000 9.484) 11.126 9.144 ( -3.483 0.000 -0.996) 3.622 9.418 ( 17.673 0.000 6.485) 18.825 9.725 ( -11.179 0.000 -16.247) 19.721 10.262 ( -11.739 0.000 -17.288) 20.897 10.340 ( -0.591 0.000 -3.399) 3.450 10.581 ( 10.408 0.000 -6.962) 12.522 10.938 ( -10.077 0.000 -1.554) 10.196 10.939 ( -5.794 0.000 -8.163) 10.010 11.283 ( -6.500 0.000 -11.828) 13.496 11.497 ( -0.759 0.000 0.760) 1.074 11.598 ( 2.403 0.000 -19.052) 19.203 11.934 ( 14.346 0.000 0.887) 14.374 12.166 ( -0.855 0.000 -1.869) 2.056 12.218 ( 1.789 0.000 4.655) 4.987 12.465 ( 12.592 0.000 -0.300) 12.595 12.748 ( 1.054 0.000 -6.877) 6.958 12.814 ( -10.536 0.000 -16.319) 19.424 13.078 ( -0.773 0.000 5.671) 5.724 13.125 ( 3.744 0.000 1.646) 4.090 13.666 ( 5.615 0.000 -3.559) 6.648 13.697 ( -0.569 0.000 -4.731) 4.765 13.916 ( 1.847 0.000 -7.004) 7.243 13.998 ( -6.962 0.000 -13.911) 15.556 14.186 ( 2.412 0.000 -4.793) 5.366 14.226 ( 0.811 0.000 -19.054) 19.072 14.601 ( 2.194 0.000 1.375) 2.590 14.957 ( -11.043 0.000 -0.540) 11.056 15.127 ( 3.736 0.000 -10.088) 10.758 15.239 ( 2.258 0.000 11.547) 11.766 15.550 ( -5.794 0.000 -7.239) 9.272 15.580 ( -3.653 0.000 -6.713) 7.642 15.810 ( 6.299 0.000 -16.863) 18.001 16.231 ( -8.167 0.000 -10.482) 13.288 16.531 ( 3.916 0.000 15.271) 15.765 16.943 ( -11.866 0.000 8.500) 14.597 17.288 ( 11.933 0.000 4.080) 12.611 17.534 ( 11.896 0.000 8.614) 14.687 18.208 ( 2.342 0.000 -7.611) 7.963 18.790 ( -16.375 0.000 -5.109) 17.154 18.974 ( 4.430 0.000 -10.279) 11.193 19.087 ( 9.021 0.000 -7.833) 11.947 19.676 ( -11.639 0.000 -8.153) 14.210 19.805 ( -9.768 0.000 0.277) 9.772 19.936 ( 1.912 0.000 3.831) 4.281 20.237 ( 1.107 0.000 4.544) 4.676 20.429 ( 6.902 0.000 3.256) 7.631 21.135 ( 8.149 0.000 15.843) 17.816 21.394 ( -11.705 0.000 -0.145) 11.706 21.718 ( 2.219 0.000 7.377) 7.703 21.744 ( 7.939 0.000 8.703) 11.780 21.855 ( -5.632 0.000 18.099) 18.955 22.008 ( 9.349 0.000 16.546) 19.005 22.684 ( -5.325 0.000 15.523) 16.411 22.821 ( 7.864 0.000 16.171) 17.982 23.666 ( -13.951 0.000 15.787) 21.068 25.627 ( 3.807 0.000 -0.174) 3.811 25.822 ( -0.171 0.000 2.955) 2.960 25.844 ( 2.052 0.000 3.923) 4.427 25.949 ( -2.010 0.000 1.383) 2.440 26.166 ( -2.201 0.000 -1.954) 2.943 26.191 ( -0.452 0.000 -3.572) 3.601 26.815 ( -0.485 0.000 -18.189) 18.196 27.033 ( -3.529 0.000 -2.892) 4.562 27.079 ( -8.020 0.000 -3.633) 8.804 27.294 ( -3.312 0.000 1.759) 3.751 27.574 ( 1.533 0.000 4.056) 4.336 27.653 ( -3.247 0.000 8.977) 9.546 27.864 ( 12.663 0.000 1.328) 12.733 28.316 ( 0.462 0.000 10.016) 10.027 28.521 ( 5.384 0.000 4.455) 6.988 28.756 ( 1.482 0.000 -0.009) 1.482 28.939 ( -4.257 0.000 -0.398) 4.275 29.564 ( -28.579 0.000 15.863) 32.686 30.098 ( 2.435 0.000 -2.455) 3.457 30.183 ( 0.403 0.000 -5.630) 5.644 30.492 ( 3.045 0.000 -3.263) 4.463 30.652 ( -2.076 0.000 -1.409) 2.509 30.917 ( 14.991 0.000 -8.428) 17.198 31.300 ( -1.876 0.000 -7.613) 7.840 34.956 ( 2.808 0.000 -7.505) 8.013 35.006 ( 5.378 0.000 -10.884) 12.140 ======================= Grid point 52 (15/36) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 8.284 0.000 14.288) 16.516 2.154 ( 4.362 0.000 7.094) 8.328 2.307 ( 11.779 0.000 10.132) 15.537 2.527 ( 4.972 0.000 3.943) 6.345 2.611 ( -2.004 0.000 3.891) 4.376 2.630 ( -10.950 0.000 4.288) 11.760 2.926 ( 3.368 0.000 9.795) 10.358 2.962 ( -1.535 0.000 7.044) 7.209 3.376 ( 1.804 0.000 5.168) 5.474 3.416 ( -1.810 0.000 1.229) 2.187 3.709 ( 5.796 0.000 1.909) 6.102 3.797 ( 2.662 0.000 5.021) 5.683 3.848 ( 11.655 0.000 5.971) 13.096 4.222 ( -10.704 0.000 1.575) 10.819 4.334 ( -7.910 0.000 -1.385) 8.031 4.386 ( -5.900 0.000 -0.957) 5.977 4.560 ( 4.269 0.000 -4.134) 5.943 4.661 ( -4.879 0.000 -4.460) 6.610 5.410 ( 7.154 0.000 -7.875) 10.640 5.577 ( -7.640 0.000 -3.578) 8.436 6.025 ( 5.592 0.000 6.755) 8.770 6.038 ( 0.797 0.000 5.493) 5.551 6.249 ( -0.747 0.000 13.776) 13.796 6.290 ( -6.761 0.000 20.229) 21.329 6.333 ( 11.690 0.000 2.478) 11.949 6.521 ( -1.757 0.000 4.399) 4.737 6.730 ( 15.628 0.000 9.479) 18.278 6.952 ( 10.921 0.000 19.594) 22.432 6.996 ( -10.391 0.000 2.960) 10.804 7.137 ( -12.125 0.000 17.690) 21.446 7.303 ( 10.587 0.000 4.927) 11.677 7.632 ( -5.375 0.000 0.552) 5.403 7.794 ( 6.020 0.000 -1.125) 6.124 7.839 ( -12.416 0.000 4.325) 13.147 8.282 ( 4.297 0.000 -2.748) 5.100 8.472 ( -7.529 0.000 -0.871) 7.579 8.626 ( -1.520 0.000 -5.504) 5.710 8.636 ( -3.631 0.000 -6.352) 7.317 8.965 ( 8.068 0.000 4.861) 9.419 9.105 ( -3.943 0.000 -4.473) 5.963 9.605 ( 5.040 0.000 -7.803) 9.289 9.790 ( 7.236 0.000 7.989) 10.779 9.999 ( -1.179 0.000 -19.746) 19.782 10.326 ( -10.202 0.000 -7.616) 12.731 10.593 ( -1.565 0.000 -2.601) 3.035 10.776 ( -11.791 0.000 -9.492) 15.137 10.911 ( 9.648 0.000 -9.869) 13.802 11.095 ( -9.009 0.000 -10.239) 13.638 11.542 ( 4.153 0.000 -0.638) 4.202 11.616 ( -1.984 0.000 -7.090) 7.363 12.121 ( 3.163 0.000 1.203) 3.384 12.159 ( -1.028 0.000 -3.255) 3.413 12.390 ( 14.829 0.000 -1.750) 14.932 12.614 ( -2.817 0.000 -9.292) 9.710 12.739 ( 2.825 0.000 0.503) 2.870 12.789 ( 0.824 0.000 -2.537) 2.668 13.082 ( 3.009 0.000 0.264) 3.021 13.136 ( -1.744 0.000 -6.117) 6.361 13.573 ( -4.234 0.000 -1.330) 4.438 13.640 ( -7.797 0.000 0.409) 7.808 14.005 ( 6.031 0.000 -12.463) 13.845 14.057 ( 4.896 0.000 -15.012) 15.790 14.177 ( 0.038 0.000 -9.892) 9.892 14.222 ( -0.915 0.000 -19.293) 19.315 14.641 ( 0.706 0.000 0.695) 0.991 14.724 ( -9.593 0.000 0.195) 9.595 15.258 ( 9.257 0.000 -13.459) 16.335 15.300 ( 3.986 0.000 8.702) 9.571 15.420 ( -6.207 0.000 1.676) 6.429 15.465 ( -8.156 0.000 -8.690) 11.918 15.941 ( 6.250 0.000 -12.457) 13.937 16.068 ( -7.143 0.000 -11.426) 13.475 16.623 ( 5.180 0.000 11.423) 12.543 16.747 ( -7.672 0.000 9.956) 12.569 17.560 ( 13.059 0.000 7.304) 14.963 17.690 ( 1.818 0.000 7.953) 8.158 18.258 ( 3.538 0.000 -7.472) 8.267 18.438 ( -15.525 0.000 -5.914) 16.613 19.138 ( 11.607 0.000 -6.965) 13.536 19.310 ( 12.701 0.000 -6.857) 14.434 19.407 ( -14.307 0.000 -5.382) 15.286 19.570 ( -12.814 0.000 -3.792) 13.363 19.993 ( 3.958 0.000 5.805) 7.026 20.106 ( -7.413 0.000 8.069) 10.957 20.769 ( 19.483 0.000 -2.994) 19.712 21.124 ( -15.531 0.000 -2.432) 15.721 21.347 ( 12.082 0.000 14.349) 18.758 21.593 ( -11.712 0.000 14.322) 18.501 21.826 ( 1.329 0.000 13.623) 13.688 21.827 ( 0.872 0.000 12.610) 12.640 22.271 ( 14.313 0.000 11.033) 18.072 22.524 ( -10.529 0.000 12.548) 16.380 23.040 ( 13.540 0.000 19.172) 23.471 23.346 ( -16.524 0.000 19.512) 25.569 25.720 ( 4.842 0.000 -1.401) 5.041 25.798 ( -2.606 0.000 -0.045) 2.607 25.889 ( 1.972 0.000 4.346) 4.773 25.915 ( -1.092 0.000 3.428) 3.598 26.134 ( -0.154 0.000 0.816) 0.831 26.163 ( -2.203 0.000 -0.911) 2.384 26.816 ( 1.002 0.000 -15.468) 15.501 26.874 ( -5.344 0.000 -10.450) 11.737 27.112 ( 3.913 0.000 -1.339) 4.136 27.205 ( -5.055 0.000 0.424) 5.073 27.588 ( 0.461 0.000 7.164) 7.179 27.604 ( -1.443 0.000 8.435) 8.558 28.093 ( 9.745 0.000 1.967) 9.941 28.252 ( -6.039 0.000 4.959) 7.814 28.688 ( 8.810 0.000 9.347) 12.844 28.830 ( -6.149 0.000 3.197) 6.930 28.835 ( 7.943 0.000 2.362) 8.287 29.101 ( -18.015 0.000 14.073) 22.860 30.152 ( 2.464 0.000 -3.505) 4.284 30.184 ( -0.643 0.000 -4.777) 4.820 30.542 ( 2.579 0.000 -2.609) 3.669 30.599 ( -2.998 0.000 -1.999) 3.603 31.134 ( 7.384 0.000 -9.296) 11.872 31.243 ( -3.923 0.000 -8.134) 9.030 35.023 ( 3.361 0.000 -9.490) 10.067 35.064 ( 0.027 0.000 -11.836) 11.836 ======================= Grid point 56 (16/36) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 9.745 9.745 19.203) 23.637 2.051 ( 12.874 12.874 20.336) 27.295 2.373 ( -1.320 -1.320 3.099) 3.618 2.376 ( -2.811 -2.811 3.978) 5.624 2.643 ( 3.327 3.327 2.824) 5.488 2.716 ( -7.989 -7.989 1.833) 11.446 2.843 ( 10.786 10.786 17.555) 23.256 3.063 ( 1.017 1.017 4.102) 4.347 3.358 ( 0.996 0.996 0.822) 1.631 3.394 ( 1.473 1.473 6.397) 6.727 3.626 ( 2.242 2.242 0.032) 3.171 3.655 ( 8.639 8.639 10.165) 15.893 3.865 ( -7.566 -7.566 3.956) 11.408 4.347 ( -0.582 -0.582 -1.247) 1.494 4.368 ( 0.499 0.499 -1.011) 1.233 4.512 ( -5.486 -5.486 -3.949) 8.706 4.581 ( -3.248 -3.248 -0.244) 4.600 4.702 ( -4.036 -4.036 -5.271) 7.770 5.371 ( 3.381 3.381 -8.828) 10.040 5.690 ( 1.242 1.242 3.497) 3.913 5.965 ( 8.298 8.298 -4.082) 12.425 6.036 ( 4.614 4.614 12.526) 14.124 6.104 ( -0.544 -0.544 -0.001) 0.769 6.130 ( -0.579 -0.579 0.532) 0.976 6.467 ( -2.585 -2.585 17.583) 17.959 6.497 ( 4.173 4.173 15.086) 16.199 6.711 ( 10.934 10.934 12.562) 19.922 6.893 ( -3.684 -3.684 10.306) 11.548 6.972 ( 0.231 0.231 13.002) 13.006 7.133 ( -1.127 -1.127 6.631) 6.819 7.341 ( -6.064 -6.064 6.167) 10.563 7.501 ( -0.287 -0.287 3.014) 3.041 7.741 ( 6.995 6.995 -3.207) 10.399 7.972 ( -14.288 -14.288 -3.742) 20.550 8.219 ( -12.995 -12.995 11.305) 21.576 8.375 ( -9.678 -9.678 -0.936) 13.719 8.679 ( 4.455 4.455 -3.532) 7.223 8.891 ( 4.048 4.048 -3.213) 6.564 8.978 ( 14.740 14.740 -5.395) 21.533 9.247 ( 10.018 10.018 7.744) 16.146 9.409 ( 5.761 5.761 -5.573) 9.871 9.848 ( 6.611 6.611 -1.568) 9.480 10.167 ( -7.477 -7.477 -16.200) 19.346 10.368 ( -5.933 -5.933 -17.551) 19.453 10.475 ( 0.609 0.609 -1.005) 1.324 10.840 ( -6.884 -6.884 -7.425) 12.244 10.960 ( -1.585 -1.585 2.095) 3.068 11.393 ( 2.304 2.304 -9.371) 9.921 11.434 ( -7.569 -7.569 -16.257) 19.465 11.560 ( 3.692 3.692 -5.225) 7.387 11.896 ( 0.543 0.543 5.607) 5.659 12.160 ( -6.074 -6.074 2.983) 9.094 12.174 ( -1.656 -1.656 -5.268) 5.765 12.554 ( 8.770 8.770 -5.347) 13.507 12.760 ( -5.463 -5.463 -8.282) 11.326 12.825 ( 7.821 7.821 -2.710) 11.388 12.961 ( -6.577 -6.577 -0.591) 9.321 13.234 ( 6.526 6.526 2.186) 9.485 13.581 ( -9.482 -9.482 -1.042) 13.450 13.664 ( 1.556 1.556 -5.346) 5.781 13.885 ( -0.955 -0.955 -16.772) 16.826 14.114 ( 1.793 1.793 -5.179) 5.766 14.147 ( 1.306 1.306 -8.547) 8.744 14.281 ( 2.261 2.261 -17.593) 17.881 14.558 ( -1.951 -1.951 -0.377) 2.784 14.992 ( -4.141 -4.141 -4.473) 7.369 15.090 ( 1.758 1.758 3.127) 3.995 15.298 ( 5.981 5.981 -3.726) 9.242 15.419 ( -6.585 -6.585 -2.123) 9.552 15.648 ( 1.256 1.256 -6.425) 6.666 15.833 ( 2.294 2.294 -13.105) 13.501 16.138 ( -8.217 -8.217 -14.134) 18.298 16.590 ( 4.982 4.982 14.408) 16.038 16.896 ( -4.922 -4.922 10.491) 12.590 17.352 ( 8.711 8.711 6.500) 13.928 17.641 ( 7.667 7.667 7.169) 12.999 18.243 ( 2.870 2.870 -7.139) 8.212 18.759 ( -7.924 -7.924 -3.965) 11.887 18.914 ( -2.892 -2.892 -3.264) 5.233 19.073 ( 2.839 2.839 -14.590) 15.133 19.573 ( -14.391 -14.391 3.923) 20.726 19.614 ( -6.619 -6.619 -9.870) 13.603 20.099 ( 8.106 8.106 2.208) 11.675 20.369 ( -0.184 -0.184 7.027) 7.032 20.409 ( 10.819 10.819 -0.350) 15.304 21.144 ( 2.972 2.972 12.878) 13.547 21.355 ( -6.851 -6.851 -0.793) 9.721 21.682 ( 3.525 3.525 10.575) 11.691 21.746 ( -6.006 -6.006 10.118) 13.211 21.907 ( -0.878 -0.878 19.453) 19.493 22.068 ( 11.097 11.097 11.224) 19.294 22.752 ( 0.817 0.817 23.121) 23.150 22.787 ( 2.070 2.070 9.664) 10.098 23.537 ( -11.649 -11.649 17.882) 24.314 25.659 ( 3.091 3.091 -0.586) 4.411 25.815 ( -0.288 -0.288 3.492) 3.515 25.882 ( 2.976 2.976 2.524) 4.908 25.924 ( -1.969 -1.969 1.951) 3.400 26.143 ( -2.323 -2.323 -5.102) 6.069 26.206 ( 1.275 1.275 0.941) 2.034 26.810 ( -0.370 -0.370 -17.344) 17.351 26.978 ( -6.476 -6.476 -6.512) 11.238 27.062 ( 1.740 1.740 -2.000) 3.171 27.301 ( -1.176 -1.176 1.630) 2.329 27.498 ( -3.198 -3.198 5.704) 7.279 27.618 ( -3.742 -3.742 8.623) 10.117 27.995 ( 10.031 10.031 1.651) 14.281 28.397 ( 4.666 4.666 11.688) 13.422 28.510 ( 1.076 1.076 3.355) 3.684 28.762 ( 0.912 0.912 -0.036) 1.291 28.900 ( -3.663 -3.663 0.672) 5.224 29.356 ( -16.764 -16.764 17.614) 29.535 30.081 ( 0.489 0.489 -2.865) 2.947 30.185 ( -0.364 -0.364 -5.141) 5.167 30.530 ( 2.288 2.288 -3.417) 4.706 30.634 ( -1.362 -1.362 -1.392) 2.376 31.034 ( 8.353 8.353 -10.061) 15.517 31.291 ( -0.956 -0.956 -7.810) 7.926 34.966 ( 1.781 1.781 -7.571) 7.979 35.053 ( 2.703 2.703 -12.180) 12.765 ======================= Grid point 57 (17/36) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 10.856 -0.255 9.065) 14.146 2.213 ( -2.451 4.242 7.263) 8.761 2.283 ( 4.193 -1.008 11.164) 11.968 2.440 ( 3.306 -5.785 2.916) 7.273 2.557 ( -7.412 -4.164 5.273) 10.004 2.691 ( 0.996 4.857 5.848) 7.666 3.011 ( 3.917 7.784 8.042) 11.858 3.108 ( 1.787 6.343 5.785) 8.769 3.318 ( -1.420 -2.725 3.350) 4.546 3.406 ( -1.270 -1.858 1.907) 2.950 3.670 ( 2.147 0.968 4.222) 4.835 3.719 ( -1.786 -3.496 4.077) 5.660 3.982 ( 16.787 7.348 2.917) 18.555 4.275 ( -7.924 0.976 0.234) 7.987 4.342 ( -2.985 1.159 -0.703) 3.279 4.417 ( -6.096 2.463 -0.551) 6.598 4.517 ( 3.082 -3.072 -2.152) 4.855 4.617 ( -4.901 -2.760 -3.703) 6.735 5.488 ( 7.595 7.782 -4.492) 11.765 5.650 ( -5.154 5.906 -0.412) 7.850 6.002 ( -1.111 -0.003 10.744) 10.801 6.034 ( -3.066 -6.042 7.387) 10.024 6.180 ( 8.462 1.394 11.558) 14.392 6.280 ( 6.978 -2.857 7.492) 10.629 6.470 ( 0.480 7.799 9.553) 12.342 6.527 ( -2.920 6.064 7.216) 9.868 6.781 ( 2.847 -4.858 12.794) 13.978 6.911 ( 2.811 2.549 11.786) 12.382 6.985 ( 0.693 -2.115 5.569) 5.997 7.128 ( -10.011 -1.982 8.651) 13.379 7.256 ( 8.880 -2.298 8.909) 12.787 7.508 ( -1.133 -9.425 0.503) 9.507 7.746 ( -7.855 -6.421 4.712) 11.186 7.876 ( 2.959 -3.019 2.441) 4.882 7.935 ( -6.427 -10.665 1.059) 12.497 8.213 ( -7.374 -15.160 2.125) 16.992 8.772 ( 2.361 5.360 -8.480) 10.306 8.877 ( -0.541 15.420 -14.453) 21.141 9.262 ( 12.804 14.162 -4.863) 19.701 9.413 ( 5.304 26.314 3.915) 27.128 9.616 ( 5.379 13.209 -0.604) 14.275 9.847 ( -13.854 -0.946 -8.692) 16.383 10.026 ( 9.066 3.117 -10.049) 13.889 10.313 ( -1.986 -3.349 -10.120) 10.844 10.551 ( 4.826 -2.299 -2.763) 6.017 10.696 ( -5.409 -5.485 -9.162) 11.970 10.897 ( -5.838 0.717 -6.456) 8.733 11.110 ( -10.691 -1.799 -5.978) 12.380 11.535 ( 0.812 -9.706 -6.718) 11.832 11.633 ( 6.079 4.666 -5.900) 9.672 11.927 ( -6.025 -9.872 2.043) 11.744 12.014 ( 1.607 -9.416 0.171) 9.554 12.274 ( 10.583 -12.664 2.744) 16.730 12.565 ( -14.266 -11.802 4.402) 19.031 12.714 ( 6.289 3.666 -13.534) 15.367 12.825 ( -3.779 -0.036 -7.737) 8.610 13.075 ( 11.962 7.890 -1.176) 14.378 13.297 ( -4.620 5.915 -3.268) 8.186 13.478 ( 4.126 -4.617 -3.412) 7.070 13.635 ( -5.470 -3.162 -4.500) 7.757 13.895 ( 0.187 -8.261 -11.527) 14.183 14.069 ( -2.132 1.567 -12.409) 12.688 14.192 ( 3.221 2.359 -9.575) 10.374 14.280 ( -3.563 3.503 -13.390) 14.292 14.605 ( 7.621 -0.657 -2.722) 8.119 14.809 ( -10.993 3.733 -3.763) 12.204 15.184 ( 5.443 -1.690 4.866) 7.494 15.295 ( -5.469 -2.516 2.461) 6.504 15.462 ( 9.152 7.872 -9.848) 15.579 15.621 ( -4.889 6.508 -5.464) 9.804 15.875 ( 1.448 -4.445 -11.772) 12.667 15.982 ( -5.188 -8.175 -15.190) 18.013 16.681 ( 3.227 4.223 16.053) 16.910 16.798 ( -3.599 4.318 8.202) 9.943 17.591 ( 12.147 4.752 9.949) 16.405 17.748 ( 1.002 4.599 9.259) 10.386 18.303 ( 3.674 3.930 -6.924) 8.769 18.471 ( -14.358 3.106 -5.264) 15.604 18.995 ( 7.828 -14.250 -0.842) 16.280 19.174 ( 5.250 -7.850 -15.751) 18.365 19.282 ( -12.836 -16.915 2.432) 21.373 19.475 ( -6.048 -0.155 -10.012) 11.698 20.208 ( 3.117 16.567 3.328) 17.183 20.292 ( -3.138 13.812 6.361) 15.527 20.759 ( 18.134 -1.076 -1.561) 18.233 21.115 ( -12.331 -0.504 -1.393) 12.420 21.297 ( 7.279 -4.635 9.596) 12.905 21.547 ( -10.832 -6.837 10.414) 16.509 21.787 ( 4.594 0.099 13.787) 14.532 21.867 ( -2.490 1.117 16.794) 17.014 22.323 ( 11.384 7.077 12.575) 18.379 22.628 ( -7.752 8.229 14.982) 18.769 22.980 ( 12.265 -5.757 18.262) 22.739 23.263 ( -14.346 -7.605 19.259) 25.191 25.733 ( 3.428 1.762 -0.850) 3.947 25.807 ( -0.693 0.479 1.418) 1.649 25.872 ( -1.890 -0.689 3.718) 4.227 25.966 ( 4.099 2.854 0.401) 5.011 26.079 ( -3.656 -2.577 -3.183) 5.490 26.227 ( 0.560 3.718 2.175) 4.344 26.813 ( 1.069 -0.202 -14.841) 14.880 26.865 ( -4.155 -0.962 -10.990) 11.788 27.118 ( 3.423 0.932 -0.775) 3.631 27.230 ( -4.556 2.092 0.774) 5.073 27.489 ( 1.458 -6.943 7.043) 9.997 27.545 ( -3.032 -5.753 7.939) 10.263 28.191 ( 8.784 8.444 3.666) 12.724 28.356 ( -5.810 8.958 6.024) 12.259 28.657 ( 9.510 -3.202 9.690) 13.950 28.803 ( -4.480 -2.315 3.893) 6.371 28.819 ( 4.615 -1.566 1.790) 5.192 29.029 ( -14.520 -6.661 12.095) 20.037 30.118 ( 2.525 -1.999 -3.445) 4.716 30.164 ( -1.764 -1.897 -4.323) 5.039 30.569 ( 1.793 1.988 -2.919) 3.961 30.604 ( -1.649 0.426 -2.137) 2.733 31.169 ( 4.652 2.688 -9.916) 11.278 31.260 ( -2.067 1.487 -8.240) 8.625 35.021 ( 3.189 0.175 -9.075) 9.621 35.070 ( -1.145 0.168 -11.381) 11.440 ======================= Grid point 62 (18/36) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -0.920 -0.920 0.442) 1.374 2.298 ( 2.182 2.182 8.121) 8.688 2.306 ( 2.433 2.433 6.159) 7.055 2.359 ( -0.131 -0.131 5.307) 5.310 2.491 ( -3.096 -3.096 4.738) 6.451 2.770 ( 2.469 2.469 7.333) 8.122 3.064 ( -0.691 -0.691 8.607) 8.662 3.110 ( -3.686 -3.686 9.336) 10.693 3.359 ( 3.164 3.164 1.329) 4.668 3.386 ( 0.954 0.954 2.020) 2.430 3.726 ( 4.245 4.245 3.125) 6.769 3.761 ( 3.181 3.181 0.800) 4.569 4.061 ( 2.886 2.886 -0.936) 4.188 4.188 ( -7.478 -7.478 -1.718) 10.714 4.370 ( -0.783 -0.783 1.775) 2.092 4.446 ( -2.296 -2.296 3.178) 4.543 4.485 ( 4.565 4.565 -1.467) 6.620 4.610 ( 0.213 0.213 -3.847) 3.858 5.708 ( 11.903 11.903 2.967) 17.093 5.731 ( 2.005 2.005 4.690) 5.480 5.956 ( -3.370 -3.370 9.816) 10.912 5.985 ( -1.275 -1.275 12.410) 12.540 6.125 ( -4.344 -4.344 13.021) 14.397 6.276 ( 0.681 0.681 9.093) 9.144 6.586 ( 1.629 1.629 10.659) 10.905 6.610 ( -0.466 -0.466 11.768) 11.786 6.747 ( 1.684 1.684 -0.802) 2.512 6.813 ( -1.110 -1.110 2.145) 2.658 7.062 ( 2.305 2.305 2.845) 4.326 7.123 ( 3.300 3.300 6.255) 7.804 7.231 ( -1.074 -1.074 14.147) 14.229 7.305 ( -8.561 -8.561 1.135) 12.160 7.602 ( -3.987 -3.987 -4.831) 7.424 7.679 ( -8.966 -8.966 14.691) 19.407 7.944 ( 2.470 2.470 2.670) 4.397 8.018 ( -5.034 -5.034 3.484) 7.927 8.823 ( 0.750 0.750 -8.817) 8.881 9.261 ( 15.056 15.056 -14.562) 25.796 9.345 ( 8.810 8.810 -7.239) 14.410 9.772 ( -9.442 -9.442 -15.959) 20.808 9.811 ( -10.371 -10.371 -9.204) 17.315 10.008 ( 19.655 19.655 0.284) 27.797 10.129 ( 21.479 21.479 -1.675) 30.421 10.308 ( 6.612 6.612 -3.155) 9.868 10.587 ( 3.611 3.611 -10.604) 11.769 10.613 ( -4.987 -4.987 -9.935) 12.183 10.844 ( -3.495 -3.495 0.591) 4.977 11.066 ( -9.959 -9.959 -2.757) 14.352 11.094 ( -18.053 -18.053 -3.026) 25.709 11.737 ( 3.549 3.549 -6.603) 8.294 11.835 ( -3.820 -3.820 0.469) 5.423 11.951 ( 0.345 0.345 0.716) 0.867 12.042 ( -1.805 -1.805 7.391) 7.819 12.257 ( -15.020 -15.020 9.278) 23.179 12.793 ( 3.853 3.853 -17.778) 18.594 12.846 ( -0.672 -0.672 -16.897) 16.924 13.207 ( 6.493 6.493 2.630) 9.552 13.356 ( -3.490 -3.490 -0.654) 4.979 13.451 ( 2.058 2.058 -6.556) 7.173 13.520 ( -4.413 -4.413 -1.757) 6.483 13.784 ( -3.055 -3.055 -16.880) 17.424 14.051 ( -1.624 -1.624 -16.896) 17.051 14.276 ( 5.153 5.153 -4.719) 8.682 14.347 ( -0.217 -0.217 -5.073) 5.082 14.627 ( 4.717 4.717 -7.114) 9.753 14.815 ( -3.840 -3.840 -6.765) 8.675 15.218 ( 4.166 4.166 7.962) 9.905 15.278 ( -0.997 -0.997 6.002) 6.166 15.565 ( 3.502 3.502 -9.188) 10.438 15.700 ( 0.906 0.906 -8.345) 8.442 15.785 ( -7.278 -7.278 -21.156) 23.527 15.838 ( -1.050 -1.050 -10.427) 10.532 16.735 ( 1.065 1.065 23.089) 23.138 16.882 ( 2.866 2.866 3.050) 5.072 17.751 ( 8.908 8.908 15.592) 20.046 17.832 ( 2.073 2.073 14.756) 15.044 18.387 ( 4.046 4.046 -5.455) 7.906 18.507 ( -2.991 -2.991 -3.691) 5.614 18.750 ( -2.643 -2.643 -2.746) 4.638 18.928 ( -15.281 -15.281 -0.351) 21.614 19.056 ( -3.702 -3.702 -22.890) 23.482 19.490 ( 0.562 0.562 -9.130) 9.165 20.464 ( 7.518 7.518 6.305) 12.361 20.593 ( 10.437 10.437 1.282) 14.816 20.758 ( 5.070 5.070 0.578) 7.194 21.047 ( -9.314 -9.314 -2.479) 13.404 21.231 ( 1.208 1.208 6.137) 6.370 21.349 ( -9.578 -9.578 6.960) 15.229 21.822 ( 1.992 1.992 16.132) 16.376 21.877 ( -0.060 -0.060 17.728) 17.728 22.525 ( 10.720 10.720 15.241) 21.497 22.775 ( 0.272 0.272 22.528) 22.531 22.851 ( -1.055 -1.055 14.778) 14.853 23.084 ( -8.591 -8.591 15.980) 20.074 25.787 ( 2.819 2.819 -0.272) 3.995 25.813 ( 0.374 0.374 2.430) 2.487 25.855 ( -1.324 -1.324 3.709) 4.154 25.980 ( -0.846 -0.846 -4.402) 4.562 26.064 ( 0.566 0.566 -5.134) 5.196 26.289 ( 1.953 1.953 3.437) 4.410 26.815 ( 0.539 0.539 -13.441) 13.463 26.837 ( -1.550 -1.550 -12.067) 12.265 27.155 ( 2.353 2.353 0.485) 3.363 27.263 ( 0.045 0.045 0.849) 0.851 27.380 ( -1.867 -1.867 7.327) 7.788 27.428 ( -5.004 -5.004 7.388) 10.230 28.378 ( 9.284 9.284 6.640) 14.712 28.551 ( 0.712 0.712 6.095) 6.177 28.563 ( 2.632 2.632 11.739) 12.315 28.726 ( -5.806 -5.806 8.971) 12.162 28.805 ( 0.878 0.878 0.044) 1.242 28.879 ( -6.721 -6.721 4.405) 10.477 30.100 ( 0.225 0.225 -3.363) 3.378 30.124 ( -1.726 -1.726 -3.697) 4.431 30.601 ( 1.042 1.042 -2.994) 3.337 30.610 ( 0.045 0.045 -2.628) 2.629 31.211 ( 1.108 1.108 -10.668) 10.782 31.288 ( 0.940 0.940 -8.221) 8.328 35.036 ( 1.212 1.212 -9.027) 9.189 35.061 ( -1.043 -1.043 -10.070) 10.177 ======================= Grid point 75 (19/36) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 0.000 0.000 17.259) 17.259 2.026 ( 0.000 0.000 17.259) 17.259 2.537 ( -0.000 -0.000 -1.465) 1.465 2.564 ( 0.000 0.000 4.770) 4.770 2.564 ( 0.000 0.000 4.770) 4.770 2.823 ( -0.000 0.000 -1.493) 1.493 3.050 ( 0.000 0.000 10.106) 10.106 3.166 ( 0.000 0.000 0.490) 0.490 3.325 ( 0.000 -0.000 4.260) 4.260 3.325 ( 0.000 0.000 4.260) 4.260 3.609 ( 0.000 0.000 3.778) 3.778 3.772 ( -0.000 -0.000 4.762) 4.762 4.156 ( -0.000 -0.000 4.270) 4.270 4.302 ( 0.000 0.000 -2.498) 2.498 4.302 ( 0.000 0.000 -2.498) 2.498 4.599 ( 0.000 0.000 -3.392) 3.392 4.599 ( 0.000 0.000 -3.392) 3.392 4.733 ( 0.000 0.000 -3.753) 3.753 5.120 ( -0.000 -0.000 -12.096) 12.096 5.522 ( 0.000 0.000 -9.554) 9.554 5.789 ( -0.000 0.000 7.984) 7.984 5.789 ( 0.000 0.000 7.984) 7.984 6.152 ( -0.000 -0.000 -0.405) 0.405 6.152 ( 0.000 -0.000 -0.405) 0.405 6.422 ( 0.000 0.000 0.661) 0.661 7.037 ( -0.000 -0.000 12.493) 12.493 7.086 ( 0.000 0.000 0.888) 0.888 7.086 ( 0.000 0.000 0.888) 0.888 7.228 ( -0.000 -0.000 7.678) 7.678 7.303 ( 0.000 0.000 41.535) 41.535 7.486 ( 0.000 0.000 -0.135) 0.135 7.780 ( 0.000 0.000 22.160) 22.160 7.780 ( 0.000 0.000 22.160) 22.160 8.265 ( 0.000 0.000 -2.943) 2.943 8.424 ( -0.000 -0.000 -3.078) 3.078 8.424 ( -0.000 -0.000 -3.078) 3.078 8.720 ( 0.000 0.000 10.239) 10.239 8.988 ( 0.000 0.000 13.011) 13.011 9.232 ( -0.000 -0.000 20.337) 20.337 9.254 ( 0.000 -0.000 5.319) 5.319 9.254 ( 0.000 -0.000 5.319) 5.319 9.386 ( -0.000 0.000 -11.828) 11.828 10.134 ( 0.000 0.000 -8.181) 8.181 10.134 ( 0.000 0.000 -8.181) 8.181 10.641 ( -0.000 -0.000 3.721) 3.721 10.799 ( 0.000 0.000 -11.421) 11.421 10.799 ( 0.000 0.000 -11.421) 11.421 11.002 ( 0.000 0.000 -30.060) 30.060 11.081 ( 0.000 0.000 -9.740) 9.740 11.552 ( 0.000 0.000 -1.259) 1.259 11.896 ( 0.000 0.000 5.841) 5.841 12.198 ( 0.000 0.000 -3.435) 3.435 12.231 ( -0.000 -0.000 -3.770) 3.770 12.231 ( 0.000 -0.000 -3.770) 3.770 12.496 ( 0.000 0.000 -28.726) 28.726 12.637 ( 0.000 -0.000 -2.869) 2.869 13.089 ( 0.000 0.000 -3.994) 3.994 13.089 ( 0.000 0.000 -3.994) 3.994 13.431 ( 0.000 0.000 -5.089) 5.089 13.431 ( 0.000 0.000 -5.089) 5.089 13.538 ( 0.000 0.000 -34.777) 34.777 14.046 ( -0.000 -0.000 -1.541) 1.541 14.046 ( -0.000 -0.000 -1.541) 1.541 14.091 ( -0.000 -0.000 5.761) 5.761 14.630 ( 0.000 0.000 1.591) 1.591 14.942 ( 0.000 0.000 -9.612) 9.612 14.942 ( 0.000 0.000 -9.612) 9.612 15.238 ( -0.000 -0.000 -23.377) 23.377 15.504 ( 0.000 -0.000 12.178) 12.178 15.505 ( 0.000 0.000 -2.458) 2.458 15.505 ( -0.000 0.000 -2.458) 2.458 16.155 ( 0.000 -0.000 -7.829) 7.829 16.895 ( 0.000 0.000 20.147) 20.147 17.150 ( -0.000 0.000 -1.718) 1.718 17.150 ( 0.000 0.000 -1.718) 1.718 17.610 ( 0.000 0.000 12.260) 12.260 18.043 ( 0.000 0.000 -4.990) 4.990 18.669 ( 0.000 0.000 -12.673) 12.673 18.876 ( 0.000 -0.000 -3.889) 3.889 18.876 ( 0.000 -0.000 -3.889) 3.889 19.535 ( 0.000 0.000 -12.797) 12.797 20.051 ( 0.000 0.000 8.913) 8.913 20.051 ( -0.000 -0.000 8.913) 8.913 20.136 ( 0.000 0.000 1.433) 1.433 20.639 ( 0.000 0.000 8.436) 8.436 21.436 ( 0.000 0.000 17.600) 17.600 21.579 ( 0.000 0.000 -0.353) 0.353 21.712 ( -0.000 0.000 3.674) 3.674 21.712 ( 0.000 0.000 3.674) 3.674 22.330 ( 0.000 0.000 17.412) 17.412 22.330 ( 0.000 0.000 17.412) 17.412 22.900 ( 0.000 0.000 6.897) 6.897 23.190 ( -0.000 -0.000 20.077) 20.077 24.045 ( -0.000 0.000 9.103) 9.103 25.604 ( -0.000 0.000 0.993) 0.993 25.866 ( -0.000 -0.000 -0.257) 0.257 25.866 ( 0.000 0.000 -0.257) 0.257 25.995 ( 0.000 0.000 0.650) 0.650 26.116 ( -0.000 0.000 -1.318) 1.318 26.116 ( 0.000 0.000 -1.318) 1.318 26.436 ( -0.000 -0.000 -17.448) 17.448 26.962 ( -0.000 0.000 -3.248) 3.248 27.300 ( 0.000 0.000 -8.028) 8.028 27.377 ( 0.000 0.000 2.275) 2.275 27.377 ( 0.000 0.000 2.275) 2.275 27.890 ( 0.000 0.000 9.137) 9.137 27.890 ( 0.000 0.000 9.137) 9.137 28.501 ( 0.000 0.000 -0.164) 0.164 28.554 ( 0.000 0.000 13.802) 13.802 28.744 ( 0.000 0.000 -0.027) 0.027 28.959 ( 0.000 0.000 -1.004) 1.004 30.020 ( 0.000 0.000 -2.720) 2.720 30.020 ( 0.000 0.000 -2.720) 2.720 30.046 ( -0.000 0.000 -6.417) 6.417 30.418 ( 0.000 0.000 2.246) 2.246 30.655 ( 0.000 0.000 -0.634) 0.634 30.655 ( 0.000 0.000 -0.634) 0.634 31.143 ( 0.000 0.000 -9.053) 9.053 34.783 ( 0.000 0.000 -6.629) 6.629 34.783 ( 0.000 0.000 -6.629) 6.629 ======================= Grid point 76 (20/36) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 9.702 0.000 12.933) 16.168 2.168 ( 10.826 0.000 13.391) 17.219 2.453 ( -3.702 0.000 3.758) 5.275 2.528 ( -1.874 0.000 3.370) 3.856 2.637 ( 3.095 0.000 1.602) 3.485 2.821 ( -2.145 0.000 0.245) 2.159 3.044 ( 0.126 0.000 7.328) 7.329 3.102 ( -3.318 0.000 1.633) 3.698 3.406 ( 7.351 0.000 4.904) 8.836 3.419 ( 5.324 0.000 2.889) 6.058 3.642 ( 4.077 0.000 4.040) 5.740 3.788 ( 2.281 0.000 4.609) 5.143 4.060 ( -8.124 0.000 4.604) 9.337 4.289 ( -0.957 0.000 -1.043) 1.416 4.339 ( 3.140 0.000 -2.944) 4.304 4.531 ( -8.516 0.000 -2.671) 8.925 4.534 ( -5.248 0.000 -2.522) 5.822 4.654 ( -5.394 0.000 -4.566) 7.067 5.105 ( 1.384 0.000 -11.029) 11.116 5.689 ( 15.661 0.000 -7.902) 17.542 5.721 ( -7.567 0.000 3.150) 8.197 6.108 ( -1.670 0.000 1.191) 2.051 6.136 ( 23.914 0.000 6.413) 24.759 6.203 ( 8.815 0.000 1.814) 9.000 6.520 ( 6.318 0.000 2.690) 6.867 6.868 ( -8.975 0.000 13.187) 15.951 7.032 ( -3.093 0.000 12.455) 12.833 7.213 ( -0.911 0.000 15.083) 15.110 7.234 ( 2.912 0.000 5.026) 5.809 7.367 ( -3.664 0.000 0.053) 3.665 7.414 ( 9.132 0.000 22.780) 24.543 7.787 ( 0.956 0.000 18.073) 18.099 7.815 ( 0.560 0.000 19.135) 19.143 8.265 ( -4.956 0.000 -5.873) 7.685 8.346 ( -5.295 0.000 0.601) 5.329 8.445 ( 5.190 0.000 1.822) 5.501 8.705 ( -5.765 0.000 6.372) 8.593 8.752 ( -20.169 0.000 4.886) 20.752 9.094 ( 1.686 0.000 16.706) 16.791 9.183 ( -1.122 0.000 10.283) 10.344 9.527 ( 13.612 0.000 3.476) 14.048 9.533 ( 6.087 0.000 -1.592) 6.291 9.986 ( -12.260 0.000 -7.231) 14.234 10.103 ( -6.460 0.000 -10.585) 12.401 10.419 ( -3.468 0.000 -12.159) 12.644 10.714 ( -7.443 0.000 -14.918) 16.671 10.983 ( -0.624 0.000 2.916) 2.982 10.984 ( -3.510 0.000 -15.736) 16.122 11.221 ( 12.219 0.000 -14.540) 18.992 11.503 ( -0.317 0.000 -1.472) 1.505 11.922 ( 5.989 0.000 -1.996) 6.313 12.089 ( -4.298 0.000 -7.268) 8.444 12.286 ( -0.523 0.000 1.747) 1.823 12.361 ( -4.405 0.000 -22.017) 22.454 12.499 ( 13.839 0.000 -1.718) 13.945 12.603 ( 3.231 0.000 -8.327) 8.932 13.038 ( -6.944 0.000 -12.192) 14.031 13.073 ( -2.459 0.000 -8.153) 8.516 13.496 ( 8.329 0.000 -18.158) 19.978 13.533 ( 7.199 0.000 -5.377) 8.986 13.663 ( 7.889 0.000 -9.012) 11.977 13.900 ( -12.061 0.000 2.521) 12.321 13.979 ( -6.234 0.000 -4.231) 7.535 14.130 ( 0.281 0.000 -1.443) 1.470 14.622 ( 1.106 0.000 0.508) 1.217 14.845 ( -4.464 0.000 -15.493) 16.123 14.858 ( -7.533 0.000 -7.088) 10.343 15.353 ( 7.462 0.000 -13.958) 15.828 15.424 ( -5.350 0.000 -0.727) 5.399 15.532 ( -0.710 0.000 7.432) 7.466 15.578 ( 6.202 0.000 -2.979) 6.880 16.015 ( -10.576 0.000 -9.232) 14.038 16.882 ( -0.492 0.000 17.396) 17.403 17.066 ( -6.434 0.000 3.409) 7.282 17.328 ( 14.889 0.000 0.145) 14.889 17.701 ( 6.978 0.000 7.448) 10.206 18.081 ( 2.795 0.000 -4.593) 5.376 18.699 ( -15.911 0.000 -3.599) 16.313 18.716 ( 5.943 0.000 -12.601) 13.932 19.007 ( 11.764 0.000 -1.561) 11.867 19.444 ( -8.763 0.000 -11.730) 14.642 19.921 ( -11.338 0.000 8.482) 14.160 20.078 ( 2.620 0.000 8.994) 9.368 20.293 ( 11.147 0.000 1.664) 11.270 20.563 ( -4.506 0.000 8.150) 9.313 21.397 ( -13.023 0.000 0.461) 13.032 21.447 ( 4.220 0.000 12.945) 13.616 21.817 ( 4.747 0.000 2.635) 5.429 21.902 ( 13.070 0.000 7.266) 14.954 22.223 ( -8.509 0.000 16.182) 18.283 22.363 ( 3.967 0.000 16.170) 16.650 22.918 ( -1.684 0.000 9.326) 9.477 23.222 ( 5.278 0.000 18.856) 19.581 23.940 ( -9.830 0.000 10.693) 14.525 25.631 ( 2.611 0.000 0.492) 2.657 25.839 ( -2.442 0.000 -1.203) 2.723 25.892 ( 2.357 0.000 0.010) 2.357 25.997 ( 0.147 0.000 2.647) 2.651 26.121 ( 0.377 0.000 -1.088) 1.151 26.125 ( 0.450 0.000 -2.371) 2.414 26.449 ( 1.595 0.000 -16.219) 16.297 26.963 ( -12.824 0.000 -3.712) 13.350 27.003 ( -1.275 0.000 -3.325) 3.561 27.333 ( -4.292 0.000 1.835) 4.668 27.615 ( 8.667 0.000 0.473) 8.680 27.838 ( -3.904 0.000 8.324) 9.194 27.964 ( 7.662 0.000 7.189) 10.506 28.475 ( -4.196 0.000 4.243) 5.968 28.670 ( 11.514 0.000 10.502) 15.584 28.756 ( 1.737 0.000 0.086) 1.739 28.925 ( -3.107 0.000 -0.677) 3.180 29.797 ( -18.370 0.000 7.426) 19.814 30.039 ( 1.675 0.000 -3.041) 3.472 30.060 ( 1.015 0.000 -5.864) 5.952 30.426 ( 1.798 0.000 -2.883) 3.398 30.627 ( -2.674 0.000 -0.971) 2.845 30.788 ( 9.141 0.000 -4.452) 10.167 31.123 ( -2.034 0.000 -9.088) 9.313 34.801 ( 1.619 0.000 -7.091) 7.273 34.813 ( 2.370 0.000 -7.883) 8.232 ======================= Grid point 77 (21/36) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 2.255 0.000 5.805) 6.228 2.296 ( 1.147 0.000 9.139) 9.211 2.486 ( 8.798 0.000 6.452) 10.910 2.568 ( 4.864 0.000 1.097) 4.986 2.663 ( -0.825 0.000 2.418) 2.555 2.708 ( -8.232 0.000 3.583) 8.978 3.054 ( 0.423 0.000 2.204) 2.244 3.064 ( -0.854 0.000 0.921) 1.256 3.493 ( 3.007 0.000 6.372) 7.046 3.527 ( 1.776 0.000 7.833) 8.032 3.761 ( 6.330 0.000 2.698) 6.881 3.872 ( -2.837 0.000 2.840) 4.014 3.946 ( 8.391 0.000 2.388) 8.724 4.242 ( -13.478 0.000 -0.150) 13.478 4.306 ( -1.443 0.000 -0.479) 1.520 4.365 ( -3.242 0.000 -1.009) 3.395 4.477 ( 2.569 0.000 -3.428) 4.283 4.563 ( -4.476 0.000 -4.749) 6.526 5.226 ( 10.562 0.000 -9.115) 13.951 5.490 ( -14.185 0.000 -4.527) 14.890 6.033 ( 13.103 0.000 -4.384) 13.817 6.111 ( 0.910 0.000 1.317) 1.601 6.290 ( 8.876 0.000 1.413) 8.987 6.521 ( -8.167 0.000 4.762) 9.454 6.650 ( 13.512 0.000 15.092) 20.257 6.769 ( -2.348 0.000 15.655) 15.830 7.004 ( 0.803 0.000 14.109) 14.132 7.077 ( -7.863 0.000 5.169) 9.410 7.346 ( 16.235 0.000 10.119) 19.131 7.463 ( 3.236 0.000 9.850) 10.368 7.566 ( 6.990 0.000 20.700) 21.848 7.834 ( 0.425 0.000 13.995) 14.002 7.867 ( 6.693 0.000 9.425) 11.560 8.010 ( -19.560 0.000 9.363) 21.685 8.199 ( -8.012 0.000 0.571) 8.033 8.254 ( -15.109 0.000 -5.961) 16.243 8.658 ( 3.362 0.000 7.127) 7.880 8.680 ( 5.321 0.000 4.389) 6.898 9.150 ( 1.276 0.000 13.312) 13.373 9.169 ( -1.136 0.000 12.205) 12.257 9.516 ( -3.696 0.000 1.614) 4.033 9.604 ( -9.545 0.000 -12.933) 16.074 9.934 ( 11.382 0.000 1.664) 11.503 10.031 ( 1.784 0.000 -17.525) 17.615 10.478 ( 1.531 0.000 -11.872) 11.971 10.527 ( -8.530 0.000 -13.235) 15.745 10.816 ( -5.575 0.000 1.034) 5.670 10.883 ( -6.599 0.000 -9.734) 11.759 11.439 ( 7.891 0.000 -8.258) 11.422 11.520 ( -0.734 0.000 -1.963) 2.096 12.043 ( 0.605 0.000 -10.863) 10.880 12.095 ( 1.023 0.000 -4.080) 4.207 12.225 ( 4.360 0.000 -12.475) 13.215 12.316 ( -0.597 0.000 -17.790) 17.800 12.720 ( 3.457 0.000 -2.026) 4.007 12.772 ( 1.442 0.000 -4.836) 5.046 12.933 ( 7.549 0.000 -11.651) 13.883 13.097 ( 5.002 0.000 -2.875) 5.769 13.460 ( -10.770 0.000 -7.227) 12.971 13.584 ( -10.683 0.000 -6.282) 12.393 13.735 ( 6.292 0.000 -14.156) 15.491 13.796 ( 1.866 0.000 -8.597) 8.797 13.935 ( 3.888 0.000 -4.019) 5.592 14.050 ( -6.924 0.000 -2.748) 7.450 14.635 ( 0.174 0.000 -1.623) 1.632 14.700 ( -6.582 0.000 -2.391) 7.003 14.941 ( 13.320 0.000 -14.500) 19.689 15.237 ( -13.681 0.000 -10.196) 17.062 15.462 ( 3.226 0.000 -0.880) 3.344 15.501 ( -1.474 0.000 7.311) 7.458 15.712 ( 6.580 0.000 -6.740) 9.419 15.839 ( -6.711 0.000 -8.912) 11.156 16.890 ( 1.495 0.000 13.358) 13.441 16.950 ( -4.597 0.000 9.017) 10.121 17.657 ( 15.696 0.000 2.006) 15.823 17.809 ( 1.572 0.000 3.494) 3.831 18.129 ( 3.111 0.000 -4.791) 5.713 18.332 ( -17.677 0.000 -3.996) 18.123 18.921 ( 13.674 0.000 -11.345) 17.768 19.209 ( -13.953 0.000 -10.701) 17.584 19.299 ( 16.515 0.000 3.015) 16.788 19.636 ( -16.316 0.000 6.838) 17.691 20.156 ( 5.280 0.000 9.247) 10.648 20.289 ( -7.457 0.000 8.927) 11.632 20.741 ( 17.927 0.000 0.213) 17.929 21.098 ( -16.725 0.000 -0.147) 16.726 21.603 ( 10.211 0.000 9.362) 13.853 21.801 ( -7.414 0.000 5.328) 9.130 22.078 ( 3.441 0.000 10.961) 11.488 22.103 ( -1.753 0.000 13.760) 13.871 22.528 ( 12.203 0.000 12.757) 17.654 22.778 ( -11.099 0.000 11.678) 16.111 23.417 ( 12.815 0.000 16.258) 20.701 23.692 ( -13.915 0.000 13.807) 19.603 25.700 ( 3.959 0.000 -0.607) 4.005 25.777 ( -3.614 0.000 -1.414) 3.881 25.948 ( 2.920 0.000 0.669) 2.996 25.992 ( -1.092 0.000 2.661) 2.877 26.125 ( -0.030 0.000 -0.815) 0.816 26.125 ( -0.188 0.000 -2.235) 2.243 26.516 ( 5.451 0.000 -12.486) 13.624 26.681 ( -11.329 0.000 -7.610) 13.647 27.086 ( 5.812 0.000 -1.112) 5.917 27.217 ( -6.750 0.000 0.652) 6.782 27.716 ( 2.933 0.000 4.623) 5.475 27.769 ( -2.839 0.000 6.817) 7.384 28.160 ( 10.410 0.000 4.655) 11.404 28.349 ( -8.130 0.000 4.676) 9.379 28.781 ( 2.799 0.000 0.827) 2.919 28.850 ( -3.971 0.000 0.058) 3.971 28.996 ( 18.256 0.000 11.245) 21.442 29.392 ( -20.751 0.000 12.601) 24.278 30.072 ( 1.198 0.000 -3.914) 4.094 30.078 ( 0.534 0.000 -5.010) 5.039 30.483 ( 3.517 0.000 -3.118) 4.700 30.558 ( -3.869 0.000 -1.866) 4.296 30.950 ( 6.774 0.000 -8.174) 10.616 31.060 ( -4.292 0.000 -9.090) 10.052 34.836 ( 1.542 0.000 -8.180) 8.325 34.848 ( 0.624 0.000 -8.883) 8.905 ======================= Grid point 81 (22/36) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 2.424 2.424 11.328) 11.835 2.330 ( 6.530 6.530 6.627) 11.366 2.462 ( -3.110 -3.110 4.490) 6.285 2.484 ( 2.350 2.350 7.881) 8.554 2.684 ( 3.945 3.945 1.305) 5.729 2.739 ( -6.006 -6.006 0.374) 8.502 3.057 ( 1.779 1.779 4.958) 5.560 3.151 ( 2.955 2.955 2.338) 4.789 3.371 ( -0.336 -0.336 1.740) 1.803 3.531 ( 5.280 5.280 6.106) 9.646 3.670 ( 3.054 3.054 3.912) 5.828 3.813 ( 2.797 2.797 3.718) 5.428 3.958 ( -7.274 -7.274 4.217) 11.117 4.315 ( 0.943 0.943 -1.643) 2.116 4.341 ( 1.617 1.617 -1.521) 2.746 4.440 ( -6.346 -6.346 -2.724) 9.380 4.547 ( -2.166 -2.166 -2.727) 4.101 4.614 ( -3.169 -3.169 -3.238) 5.529 5.163 ( 6.124 6.124 -10.220) 13.396 5.806 ( 1.638 1.638 6.409) 6.815 5.833 ( 11.779 11.779 -6.794) 17.990 6.044 ( 0.432 0.432 -4.107) 4.152 6.159 ( 2.140 2.140 2.393) 3.858 6.220 ( 5.942 5.942 4.602) 9.582 6.739 ( 12.967 12.967 9.511) 20.658 6.790 ( -4.530 -4.530 12.783) 14.299 7.059 ( -4.191 -4.191 6.250) 8.614 7.145 ( -2.275 -2.275 10.054) 10.556 7.198 ( -1.578 -1.578 17.747) 17.887 7.299 ( 0.486 0.486 8.431) 8.459 7.579 ( 7.142 7.142 15.297) 18.331 7.735 ( -2.530 -2.530 15.016) 15.436 7.908 ( 3.373 3.373 22.130) 22.638 7.929 ( -14.973 -14.973 0.585) 21.183 8.346 ( -2.176 -2.176 -10.908) 11.334 8.405 ( -4.764 -4.764 2.837) 7.310 8.658 ( -9.253 -9.253 15.950) 20.631 8.936 ( 9.792 9.792 3.434) 14.268 8.981 ( -8.064 -8.064 10.993) 15.839 9.353 ( 10.508 10.508 3.003) 15.161 9.360 ( 8.394 8.394 0.857) 11.902 9.869 ( 12.906 12.906 -0.213) 18.253 9.881 ( -9.103 -9.103 -6.468) 14.407 10.047 ( -6.466 -6.466 -9.915) 13.488 10.326 ( -4.188 -4.188 -12.290) 13.643 10.658 ( -8.009 -8.009 -9.216) 14.602 10.820 ( -4.179 -4.179 -17.407) 18.383 11.191 ( 3.526 3.526 -9.555) 10.777 11.276 ( 5.734 5.734 1.373) 8.224 11.474 ( 0.024 0.024 -4.146) 4.146 11.938 ( 1.786 1.786 -3.277) 4.138 12.073 ( -1.326 -1.326 -2.960) 3.504 12.141 ( -5.829 -5.829 -8.788) 12.049 12.390 ( -3.521 -3.521 -9.075) 10.351 12.471 ( 2.163 2.163 -13.240) 13.589 12.808 ( 14.573 14.573 -1.322) 20.652 12.836 ( -8.447 -8.447 -16.188) 20.119 13.269 ( 5.072 5.072 1.077) 7.253 13.428 ( -2.336 -2.336 -26.379) 26.585 13.516 ( 4.409 4.409 -7.142) 9.480 13.598 ( -12.189 -12.189 3.547) 17.599 13.914 ( 1.306 1.306 -9.440) 9.619 14.025 ( -1.221 -1.221 -3.359) 3.777 14.111 ( 1.068 1.068 -2.754) 3.141 14.528 ( -5.119 -5.119 -2.458) 7.645 14.848 ( -3.728 -3.728 -7.933) 9.526 14.888 ( 4.367 4.367 -15.442) 16.631 15.306 ( 0.328 0.328 -4.256) 4.281 15.408 ( -2.988 -2.988 -0.128) 4.227 15.586 ( 4.560 4.560 2.539) 6.931 15.652 ( 3.825 3.825 -3.440) 6.411 15.872 ( -11.295 -11.295 -10.243) 18.976 16.878 ( 0.379 0.379 12.251) 12.263 17.091 ( -0.632 -0.632 8.345) 8.393 17.444 ( 12.462 12.462 2.386) 17.785 17.762 ( 5.464 5.464 4.896) 9.148 18.128 ( 3.602 3.602 -3.989) 6.470 18.690 ( -7.022 -7.022 -2.641) 10.276 18.727 ( 2.127 2.127 -12.561) 12.916 18.939 ( 0.338 0.338 -0.380) 0.610 19.389 ( -5.757 -5.757 -10.919) 13.620 19.719 ( -14.644 -14.644 9.411) 22.747 20.208 ( 7.605 7.605 7.716) 13.237 20.412 ( 10.389 10.389 0.481) 14.700 20.536 ( -1.734 -1.734 8.321) 8.675 21.344 ( -7.527 -7.527 -0.066) 10.645 21.379 ( -1.380 -1.380 8.943) 9.153 21.881 ( -4.279 -4.279 3.164) 6.828 21.915 ( 7.432 7.432 11.541) 15.610 22.292 ( -1.658 -1.658 16.872) 17.034 22.335 ( 7.797 7.797 13.260) 17.245 22.993 ( 3.488 3.488 9.580) 10.775 23.197 ( 0.164 0.164 19.094) 19.096 23.844 ( -9.004 -9.004 11.918) 17.441 25.654 ( 2.330 2.330 0.103) 3.297 25.851 ( -0.380 -0.380 0.224) 0.582 25.886 ( 0.739 0.739 -2.625) 2.825 25.995 ( -0.160 -0.160 4.066) 4.072 26.068 ( -2.357 -2.357 -1.622) 3.707 26.187 ( 2.877 2.877 -1.934) 4.505 26.460 ( 1.373 1.373 -15.383) 15.505 26.848 ( -9.952 -9.952 -5.604) 15.149 27.021 ( 2.929 2.929 -1.896) 4.555 27.336 ( -1.760 -1.760 1.704) 3.017 27.585 ( -0.692 -0.692 2.611) 2.788 27.789 ( -4.639 -4.639 7.269) 9.792 28.077 ( 9.817 9.817 5.827) 15.057 28.574 ( 3.058 3.058 2.915) 5.215 28.660 ( 4.293 4.293 13.048) 14.391 28.761 ( 0.867 0.867 -0.089) 1.229 28.899 ( -2.449 -2.449 -0.234) 3.471 29.655 ( -13.973 -13.973 11.422) 22.825 30.009 ( 0.123 0.123 -3.942) 3.946 30.074 ( 0.219 0.219 -5.177) 5.186 30.452 ( 2.229 2.229 -3.965) 5.065 30.609 ( -1.812 -1.812 -0.978) 2.743 30.860 ( 5.750 5.750 -6.748) 10.566 31.111 ( -1.217 -1.217 -9.192) 9.352 34.809 ( 1.155 1.155 -7.167) 7.351 34.838 ( 1.636 1.636 -8.688) 8.991 ======================= Grid point 82 (23/36) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.044 -6.914 5.998) 9.646 2.354 ( -0.967 3.229 6.155) 7.017 2.424 ( -0.257 -2.171 3.269) 3.933 2.559 ( 2.863 -2.793 7.276) 8.303 2.621 ( -4.538 -4.293 1.677) 6.468 2.783 ( 3.551 6.529 2.975) 8.005 3.115 ( 4.427 7.177 0.865) 8.477 3.193 ( -0.871 7.919 0.913) 8.019 3.390 ( 3.740 -5.502 4.651) 8.117 3.517 ( -6.289 -4.681 7.754) 11.027 3.746 ( 3.184 0.506 3.158) 4.513 3.796 ( -2.719 -3.555 2.949) 5.359 4.013 ( 11.394 3.285 0.203) 11.860 4.255 ( -10.396 -2.118 -1.800) 10.762 4.338 ( 1.415 3.772 0.381) 4.047 4.400 ( 0.075 2.039 -0.989) 2.267 4.474 ( -0.813 0.963 -1.828) 2.220 4.546 ( -3.923 -0.992 -3.164) 5.137 5.356 ( 12.659 12.641 -7.515) 19.404 5.628 ( -13.086 12.656 -2.178) 18.335 6.075 ( 5.700 2.704 -3.271) 7.106 6.157 ( -0.676 -0.062 4.724) 4.772 6.261 ( 16.311 -0.473 1.366) 16.375 6.389 ( 7.778 -4.394 3.906) 9.750 6.679 ( -10.915 3.714 11.173) 16.055 6.870 ( 2.197 0.503 13.999) 14.179 6.989 ( -4.622 -1.313 8.707) 9.945 7.060 ( 1.278 -3.513 5.680) 6.799 7.195 ( 1.729 -4.321 14.665) 15.386 7.353 ( -2.068 -12.363 7.748) 14.736 7.583 ( 0.183 -1.076 15.000) 15.039 7.698 ( -4.964 -11.667 9.374) 15.768 7.860 ( 9.383 -9.759 15.130) 20.303 8.024 ( 8.327 8.286 15.038) 19.082 8.176 ( -13.193 1.911 15.282) 20.280 8.295 ( -9.684 1.324 5.806) 11.369 8.591 ( 5.368 4.555 -3.090) 7.688 8.755 ( -6.106 3.470 3.862) 8.015 9.206 ( 10.307 -1.903 2.670) 10.816 9.447 ( 1.094 17.090 -4.032) 17.593 9.556 ( -5.788 10.168 -3.933) 12.344 9.714 ( 5.024 8.691 3.630) 10.675 9.833 ( -9.364 -3.241 -10.993) 14.800 10.128 ( 8.603 3.881 -9.313) 13.259 10.333 ( 2.278 -5.784 -13.153) 14.548 10.485 ( -5.895 -10.080 -12.996) 17.471 10.761 ( -0.213 3.041 -4.720) 5.619 11.048 ( -12.545 5.684 -2.376) 13.976 11.417 ( 7.089 -3.303 -3.669) 8.638 11.539 ( 2.355 1.349 -3.175) 4.177 11.936 ( -2.019 -9.168 -5.043) 10.657 11.956 ( -5.249 -6.188 -3.414) 8.803 12.247 ( 10.307 0.290 -11.175) 15.205 12.388 ( -0.283 1.130 -17.578) 17.617 12.469 ( 0.997 -9.418 -6.620) 11.555 12.737 ( -2.592 -11.270 -5.423) 12.772 13.063 ( 5.803 13.620 -2.936) 15.093 13.208 ( -6.264 2.766 -5.111) 8.545 13.359 ( -0.921 -3.458 -9.103) 9.781 13.499 ( 2.218 -8.258 -4.739) 9.776 13.664 ( 4.993 -6.250 -9.975) 12.787 13.779 ( -8.408 -1.161 -11.719) 14.470 14.005 ( -1.173 1.937 -7.485) 7.820 14.103 ( -2.236 7.368 -5.541) 9.486 14.534 ( 5.408 -6.347 -4.104) 9.294 14.693 ( -9.304 0.073 -7.089) 11.697 15.055 ( 11.372 6.764 -13.753) 19.084 15.287 ( -9.266 3.522 -6.165) 11.673 15.391 ( 5.886 -3.719 1.181) 7.062 15.559 ( -7.475 1.096 0.067) 7.555 15.705 ( 2.419 -0.761 -4.694) 5.335 15.744 ( -0.863 -5.794 -4.712) 7.518 16.890 ( 0.403 1.318 6.793) 6.931 17.059 ( -1.270 6.588 13.358) 14.948 17.741 ( 12.938 9.427 4.257) 16.564 17.882 ( 5.721 6.971 3.808) 9.789 18.187 ( 2.696 5.049 -4.090) 7.035 18.381 ( -17.503 4.671 -3.256) 18.406 18.831 ( 5.835 -8.168 -11.077) 14.948 19.096 ( 11.997 -14.916 3.260) 19.418 19.243 ( -6.759 0.255 -9.825) 11.928 19.408 ( -15.362 -18.500 8.041) 25.355 20.322 ( 3.869 13.895 7.184) 16.114 20.434 ( -3.421 11.152 6.770) 13.488 20.747 ( 17.190 0.365 0.426) 17.199 21.092 ( -15.195 -0.912 -0.369) 15.226 21.472 ( 8.045 -9.445 6.465) 13.990 21.702 ( -10.761 -10.506 4.532) 15.707 22.079 ( 7.288 3.654 13.753) 15.988 22.206 ( -4.899 3.969 15.246) 16.498 22.596 ( 13.704 8.334 12.720) 20.471 22.901 ( -9.937 10.376 11.482) 18.391 23.348 ( 12.342 -6.715 16.104) 21.372 23.613 ( -13.189 -7.554 14.193) 20.795 25.715 ( 3.255 1.806 -0.751) 3.797 25.807 ( -2.897 2.432 -1.022) 3.918 25.934 ( 2.998 -1.548 -1.441) 3.669 25.984 ( -1.383 -0.653 2.658) 3.067 26.028 ( -1.243 -4.337 -0.141) 4.514 26.227 ( 0.960 4.842 -1.818) 5.260 26.517 ( 4.604 0.261 -12.693) 13.504 26.653 ( -8.560 -2.663 -8.791) 12.556 27.108 ( 5.401 2.341 -0.264) 5.892 27.245 ( -6.101 2.360 0.761) 6.586 27.615 ( 3.044 -7.183 4.658) 9.086 27.693 ( -4.372 -6.448 5.931) 9.791 28.289 ( 10.424 10.783 5.658) 16.030 28.480 ( -7.873 11.187 5.936) 14.912 28.775 ( 2.287 -0.374 1.182) 2.602 28.831 ( -2.673 -1.691 0.286) 3.176 28.946 ( 16.247 -4.865 10.621) 20.011 29.312 ( -18.609 -8.119 13.167) 24.199 30.038 ( 1.887 -1.812 -4.073) 4.841 30.068 ( -0.863 -1.321 -4.616) 4.879 30.503 ( 2.716 1.727 -3.351) 4.646 30.561 ( -2.688 0.091 -1.890) 3.287 30.967 ( 4.083 1.247 -9.150) 10.097 31.075 ( -2.142 1.355 -9.285) 9.624 34.840 ( 1.540 0.488 -8.027) 8.188 34.857 ( 0.018 0.620 -8.920) 8.941 ======================= Grid point 87 (24/36) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -3.756 -3.756 3.839) 6.553 2.417 ( 1.605 1.605 4.360) 4.915 2.423 ( 1.996 1.996 4.745) 5.521 2.500 ( -1.824 -1.824 7.221) 7.668 2.543 ( -3.317 -3.317 0.573) 4.726 2.872 ( 2.193 2.193 2.182) 3.793 3.260 ( 1.005 1.005 8.173) 8.296 3.269 ( 4.624 4.624 2.015) 6.843 3.369 ( 0.941 0.941 -2.214) 2.583 3.382 ( -4.918 -4.918 4.226) 8.138 3.787 ( 1.443 1.443 2.282) 3.061 3.791 ( 2.173 2.173 1.617) 3.472 4.039 ( 1.345 1.345 -0.758) 2.048 4.154 ( -6.418 -6.418 -1.288) 9.167 4.378 ( -0.214 -0.214 -0.683) 0.747 4.474 ( -0.763 -0.763 -0.548) 1.210 4.476 ( 5.068 5.068 0.162) 7.170 4.551 ( -0.116 -0.116 -1.638) 1.646 5.686 ( 18.015 18.015 -4.646) 25.898 5.877 ( 4.894 4.894 7.012) 9.853 6.021 ( -0.283 -0.283 -5.890) 5.903 6.142 ( -4.098 -4.098 7.534) 9.505 6.265 ( -5.980 -5.980 -1.521) 8.592 6.416 ( 11.869 11.869 6.394) 17.962 6.775 ( -5.012 -5.012 5.205) 8.794 6.799 ( -7.194 -7.194 6.804) 12.240 6.851 ( 3.668 3.668 12.617) 13.641 6.989 ( -6.636 -6.636 15.877) 18.444 7.188 ( 1.039 1.039 3.337) 3.647 7.234 ( 3.868 3.868 6.943) 8.839 7.412 ( -11.743 -11.743 5.380) 17.457 7.506 ( -6.543 -6.543 -3.174) 9.782 7.693 ( -5.447 -5.447 30.979) 31.922 8.095 ( 0.677 0.677 26.387) 26.405 8.284 ( 5.667 5.667 23.975) 25.279 8.329 ( 1.183 1.183 24.098) 24.156 8.734 ( 3.009 3.009 2.210) 4.795 8.939 ( 12.896 12.896 -12.554) 22.140 9.140 ( 3.722 3.722 -12.359) 13.433 9.505 ( -6.763 -6.763 -8.472) 12.776 9.548 ( -14.839 -14.839 -14.033) 25.245 9.971 ( 12.271 12.271 -13.347) 21.893 10.011 ( 17.245 17.245 -1.669) 24.446 10.231 ( 3.389 3.389 -6.636) 8.186 10.250 ( -2.061 -2.061 -18.337) 18.567 10.373 ( -2.840 -2.840 -9.421) 10.242 10.784 ( 4.516 4.516 -0.379) 6.397 11.052 ( -11.940 -11.940 -1.223) 16.929 11.213 ( -5.863 -5.863 9.115) 12.322 11.657 ( 7.370 7.370 -0.864) 10.458 11.751 ( -6.246 -6.246 -6.911) 11.216 11.940 ( -1.355 -1.355 -1.738) 2.587 12.211 ( 2.095 2.095 1.893) 3.516 12.353 ( -7.561 -7.561 -14.063) 17.666 12.380 ( 3.036 3.036 -16.815) 17.355 12.523 ( -9.762 -9.762 -2.046) 13.957 13.241 ( 3.299 3.299 -15.199) 15.899 13.273 ( 6.322 6.322 3.353) 9.549 13.344 ( -0.889 -0.889 -0.303) 1.294 13.423 ( 0.427 0.427 -20.671) 20.680 13.508 ( -5.281 -5.281 0.457) 7.483 13.651 ( -8.870 -8.870 -15.073) 19.610 14.119 ( 6.893 6.893 -10.093) 14.032 14.207 ( 0.253 0.253 -9.251) 9.258 14.489 ( 3.615 3.615 -6.028) 7.904 14.655 ( -4.974 -4.974 -8.120) 10.743 15.152 ( 4.653 4.653 -19.427) 20.511 15.281 ( -5.892 -5.892 -14.402) 16.639 15.398 ( 4.154 4.154 5.631) 8.137 15.484 ( -3.946 -3.946 1.988) 5.925 15.684 ( -1.883 -1.883 1.332) 2.977 15.729 ( 1.866 1.866 -1.437) 3.005 16.917 ( 0.845 0.845 1.959) 2.295 17.143 ( 1.766 1.766 14.234) 14.452 18.016 ( 13.313 13.313 9.005) 20.870 18.048 ( 8.722 8.722 5.111) 13.352 18.296 ( 5.293 5.293 -3.236) 8.155 18.449 ( -3.790 -3.790 -1.921) 5.693 18.653 ( -5.905 -5.905 -12.402) 14.951 18.823 ( -5.040 -5.040 7.622) 10.436 19.017 ( -18.046 -18.046 8.713) 26.968 19.254 ( 0.317 0.317 -13.328) 13.336 20.585 ( 9.258 9.258 5.177) 14.080 20.659 ( 7.030 7.030 4.891) 11.079 20.765 ( 5.427 5.427 0.152) 7.677 21.009 ( -9.109 -9.109 -0.873) 12.912 21.347 ( -0.328 -0.328 4.605) 4.629 21.467 ( -10.591 -10.591 4.218) 15.561 22.158 ( 3.051 3.051 15.452) 16.043 22.235 ( -0.282 -0.282 15.935) 15.940 22.832 ( 12.751 12.751 13.539) 22.549 23.110 ( 2.242 2.242 10.299) 10.776 23.193 ( -0.232 -0.232 17.353) 17.356 23.412 ( -11.762 -11.762 14.477) 22.052 25.771 ( 3.312 3.312 -1.556) 4.935 25.846 ( 0.058 0.058 1.421) 1.424 25.891 ( -1.359 -1.359 -4.166) 4.588 25.957 ( -2.019 -2.019 -4.351) 5.204 25.977 ( -0.521 -0.521 6.653) 6.694 26.305 ( 2.460 2.460 -1.385) 3.744 26.533 ( 1.580 1.580 -12.797) 12.991 26.587 ( -3.442 -3.442 -11.163) 12.178 27.176 ( 3.726 3.726 1.260) 5.417 27.276 ( -0.378 -0.378 0.512) 0.740 27.511 ( -1.468 -1.468 4.922) 5.342 27.565 ( -5.520 -5.520 5.273) 9.420 28.524 ( 11.640 11.640 7.222) 17.976 28.680 ( 1.518 1.518 5.708) 6.099 28.787 ( 0.426 0.426 3.388) 3.442 28.811 ( 1.269 1.269 0.824) 1.975 28.838 ( 0.870 0.870 10.043) 10.118 29.084 ( -13.678 -13.678 12.479) 23.019 30.023 ( 0.236 0.236 -3.880) 3.894 30.040 ( -1.188 -1.188 -4.123) 4.452 30.537 ( 1.399 1.399 -3.038) 3.626 30.557 ( -0.570 -0.570 -2.392) 2.524 30.985 ( 0.426 0.426 -10.511) 10.528 31.102 ( 0.902 0.902 -9.562) 9.647 34.854 ( 0.758 0.758 -8.130) 8.200 34.864 ( -0.106 -0.106 -8.596) 8.597 ======================= Grid point 100 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 0.000 6.741) 6.741 2.265 ( -0.000 0.000 6.741) 6.741 2.500 ( 0.000 0.000 -1.825) 1.825 2.651 ( -0.000 0.000 3.349) 3.349 2.651 ( 0.000 0.000 3.349) 3.349 2.799 ( 0.000 -0.000 -0.805) 0.805 3.149 ( 0.000 0.000 -1.467) 1.467 3.174 ( 0.000 0.000 3.158) 3.158 3.399 ( 0.000 0.000 2.492) 2.492 3.399 ( 0.000 0.000 2.492) 2.492 3.728 ( 0.000 0.000 6.127) 6.127 3.774 ( 0.000 0.000 -2.341) 2.341 4.215 ( 0.000 0.000 1.489) 1.489 4.260 ( -0.000 0.000 -1.484) 1.484 4.260 ( -0.000 0.000 -1.484) 1.484 4.535 ( -0.000 0.000 -2.368) 2.368 4.535 ( 0.000 0.000 -2.368) 2.368 4.672 ( -0.000 -0.000 -2.151) 2.151 4.935 ( 0.000 0.000 -5.915) 5.915 5.350 ( -0.000 -0.000 -6.455) 6.455 5.949 ( 0.000 0.000 5.765) 5.765 5.949 ( 0.000 0.000 5.765) 5.765 6.151 ( 0.000 0.000 1.324) 1.324 6.151 ( 0.000 0.000 1.324) 1.324 6.414 ( 0.000 0.000 -0.900) 0.900 7.099 ( 0.000 0.000 1.077) 1.077 7.099 ( -0.000 -0.000 1.077) 1.077 7.296 ( 0.000 0.000 11.479) 11.479 7.336 ( 0.000 0.000 3.072) 3.072 7.479 ( 0.000 0.000 -0.402) 0.402 8.054 ( 0.000 0.000 2.360) 2.360 8.054 ( 0.000 0.000 2.360) 2.360 8.144 ( 0.000 0.000 34.399) 34.399 8.208 ( -0.000 0.000 -2.942) 2.942 8.430 ( 0.000 0.000 4.194) 4.194 8.430 ( 0.000 0.000 4.194) 4.194 8.844 ( 0.000 -0.000 -12.190) 12.190 8.984 ( -0.000 0.000 14.010) 14.010 9.395 ( 0.000 0.000 5.119) 5.119 9.395 ( 0.000 0.000 5.119) 5.119 9.653 ( -0.000 0.000 19.871) 19.871 9.767 ( 0.000 0.000 32.434) 32.434 10.096 ( 0.000 0.000 4.508) 4.508 10.096 ( -0.000 0.000 4.508) 4.508 10.420 ( 0.000 0.000 -24.527) 24.527 10.642 ( -0.000 -0.000 -0.638) 0.638 10.642 ( 0.000 0.000 -0.638) 0.638 10.655 ( 0.000 0.000 -0.934) 0.934 10.915 ( -0.000 -0.000 -5.437) 5.437 11.425 ( 0.000 0.000 -12.428) 12.428 11.878 ( -0.000 -0.000 -29.483) 29.483 11.946 ( 0.000 0.000 -0.363) 0.363 11.976 ( 0.000 0.000 -20.522) 20.522 11.976 ( 0.000 0.000 -20.522) 20.522 12.144 ( 0.000 0.000 -1.809) 1.809 12.650 ( 0.000 -0.000 2.856) 2.856 12.860 ( -0.000 -0.000 -27.051) 27.051 12.955 ( 0.000 0.000 -4.931) 4.931 12.955 ( 0.000 0.000 -4.931) 4.931 13.428 ( 0.000 0.000 2.202) 2.202 13.428 ( -0.000 0.000 2.202) 2.202 14.029 ( -0.000 0.000 -0.469) 0.469 14.029 ( -0.000 0.000 -0.469) 0.469 14.190 ( -0.000 -0.000 3.478) 3.478 14.655 ( 0.000 -0.000 0.766) 0.766 14.765 ( 0.000 0.000 -6.536) 6.536 14.765 ( 0.000 0.000 -6.536) 6.536 14.828 ( 0.000 0.000 -14.920) 14.920 15.484 ( 0.000 0.000 -0.203) 0.203 15.484 ( -0.000 0.000 -0.203) 0.203 15.693 ( 0.000 0.000 6.113) 6.113 16.024 ( 0.000 0.000 -4.597) 4.597 17.106 ( 0.000 -0.000 -2.033) 2.033 17.106 ( 0.000 -0.000 -2.033) 2.033 17.270 ( -0.000 0.000 14.882) 14.882 17.812 ( 0.000 -0.000 7.020) 7.020 17.970 ( 0.000 0.000 -2.195) 2.195 18.441 ( -0.000 -0.000 -9.018) 9.018 18.818 ( 0.000 0.000 -1.797) 1.797 18.818 ( 0.000 0.000 -1.797) 1.797 19.313 ( 0.000 0.000 -8.017) 8.017 20.160 ( 0.000 0.000 0.864) 0.864 20.232 ( 0.000 0.000 7.350) 7.350 20.232 ( -0.000 0.000 7.350) 7.350 20.790 ( 0.000 0.000 5.644) 5.644 21.574 ( -0.000 -0.000 -0.108) 0.108 21.738 ( 0.000 0.000 10.793) 10.793 21.759 ( 0.000 0.000 1.052) 1.052 21.759 ( 0.000 0.000 1.052) 1.052 22.617 ( 0.000 0.000 9.858) 9.858 22.617 ( -0.000 0.000 9.858) 9.858 23.016 ( 0.000 0.000 4.062) 4.062 23.522 ( 0.000 0.000 11.482) 11.482 24.184 ( 0.000 0.000 4.317) 4.317 25.624 ( 0.000 0.000 0.862) 0.862 25.823 ( 0.000 0.000 -2.641) 2.641 25.823 ( 0.000 0.000 -2.641) 2.641 26.002 ( 0.000 0.000 0.083) 0.083 26.131 ( 0.000 0.000 1.667) 1.667 26.131 ( -0.000 -0.000 1.667) 1.667 26.139 ( -0.000 -0.000 -10.520) 10.520 26.902 ( -0.000 -0.000 -2.260) 2.260 27.170 ( 0.000 0.000 -4.324) 4.324 27.415 ( 0.000 0.000 1.369) 1.369 27.415 ( 0.000 0.000 1.369) 1.369 28.048 ( 0.000 0.000 5.690) 5.690 28.048 ( 0.000 0.000 5.690) 5.690 28.489 ( 0.000 0.000 -0.721) 0.721 28.743 ( 0.000 0.000 -0.079) 0.079 28.811 ( 0.000 0.000 9.999) 9.999 28.943 ( -0.000 -0.000 -0.520) 0.520 29.931 ( 0.000 0.000 -4.239) 4.239 29.968 ( 0.000 0.000 -2.045) 2.045 29.968 ( 0.000 0.000 -2.045) 2.045 30.452 ( 0.000 0.000 1.062) 1.062 30.648 ( 0.000 0.000 -0.087) 0.087 30.648 ( 0.000 0.000 -0.087) 0.087 30.970 ( 0.000 0.000 -6.911) 6.911 34.669 ( 0.000 0.000 -4.063) 4.063 34.669 ( 0.000 0.000 -4.063) 4.063 ======================= Grid point 101 (26/36) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 4.641 0.000 5.942) 7.540 2.355 ( 7.421 0.000 5.399) 9.177 2.489 ( 0.277 0.000 -0.465) 0.541 2.583 ( -4.109 0.000 1.772) 4.475 2.690 ( 3.027 0.000 3.233) 4.428 2.831 ( 0.505 0.000 0.803) 0.948 3.083 ( -4.601 0.000 -2.427) 5.202 3.131 ( -3.696 0.000 1.994) 4.200 3.485 ( 7.944 0.000 2.399) 8.298 3.489 ( 6.877 0.000 2.909) 7.467 3.746 ( 1.902 0.000 4.923) 5.278 3.804 ( 3.216 0.000 -1.182) 3.427 4.127 ( -7.557 0.000 2.035) 7.827 4.274 ( 1.363 0.000 -0.444) 1.433 4.284 ( 2.138 0.000 -2.402) 3.216 4.482 ( -6.885 0.000 -1.816) 7.120 4.496 ( -3.349 0.000 -1.134) 3.536 4.577 ( -6.967 0.000 -2.681) 7.465 4.925 ( 1.669 0.000 -6.021) 6.248 5.543 ( 17.876 0.000 -5.593) 18.731 5.770 ( -15.161 0.000 1.461) 15.231 6.132 ( -1.378 0.000 0.658) 1.527 6.136 ( 6.535 0.000 -1.689) 6.750 6.383 ( 29.497 0.000 9.757) 31.069 6.571 ( 11.275 0.000 3.076) 11.687 7.078 ( -3.650 0.000 7.038) 7.929 7.141 ( 3.630 0.000 2.557) 4.440 7.305 ( -7.324 0.000 1.157) 7.415 7.342 ( 0.357 0.000 2.646) 2.670 7.426 ( 6.301 0.000 5.472) 8.345 7.909 ( -9.687 0.000 6.905) 11.896 7.994 ( -7.818 0.000 -7.244) 10.658 8.159 ( -3.948 0.000 4.029) 5.640 8.192 ( -2.801 0.000 22.552) 22.725 8.389 ( 2.923 0.000 5.879) 6.566 8.503 ( 9.129 0.000 2.638) 9.503 8.825 ( -6.385 0.000 0.761) 6.430 8.972 ( -5.501 0.000 16.291) 17.195 9.374 ( 0.240 0.000 3.157) 3.166 9.492 ( 10.419 0.000 4.026) 11.170 9.640 ( -1.990 0.000 13.218) 13.367 9.672 ( -8.360 0.000 20.789) 22.407 10.027 ( -4.422 0.000 10.592) 11.478 10.091 ( -5.610 0.000 4.812) 7.391 10.224 ( -12.925 0.000 4.951) 13.840 10.346 ( -3.269 0.000 -16.546) 16.866 10.759 ( 1.909 0.000 -4.886) 5.245 10.981 ( 2.643 0.000 -3.571) 4.442 11.004 ( 12.324 0.000 -7.261) 14.304 11.392 ( 0.646 0.000 -10.035) 10.056 11.716 ( -8.252 0.000 -28.022) 29.212 11.800 ( 2.094 0.000 -11.352) 11.543 11.951 ( -2.727 0.000 -16.008) 16.239 12.314 ( -3.019 0.000 0.863) 3.139 12.353 ( 1.693 0.000 -13.633) 13.738 12.442 ( 22.979 0.000 -5.034) 23.524 12.636 ( -13.348 0.000 -21.154) 25.013 12.874 ( -7.656 0.000 -6.328) 9.933 13.216 ( 14.402 0.000 -5.091) 15.275 13.501 ( 4.062 0.000 0.306) 4.074 13.604 ( 10.403 0.000 -0.590) 10.420 13.952 ( -6.820 0.000 0.173) 6.822 13.968 ( -11.720 0.000 3.559) 12.249 14.104 ( -3.628 0.000 -1.322) 3.861 14.553 ( -6.058 0.000 -10.486) 12.110 14.632 ( -0.505 0.000 -0.397) 0.643 14.725 ( -3.456 0.000 -4.987) 6.067 15.096 ( 14.324 0.000 -9.148) 16.996 15.367 ( -11.359 0.000 -2.575) 11.648 15.576 ( 7.091 0.000 0.996) 7.161 15.692 ( -1.742 0.000 5.507) 5.776 15.877 ( -10.098 0.000 -3.997) 10.860 17.099 ( -0.473 0.000 0.336) 0.580 17.186 ( -0.291 0.000 9.765) 9.770 17.329 ( 12.249 0.000 1.661) 12.361 17.831 ( 1.561 0.000 4.775) 5.024 18.014 ( 2.949 0.000 -2.074) 3.605 18.493 ( 6.928 0.000 -8.451) 10.928 18.644 ( -15.664 0.000 -1.716) 15.758 18.993 ( 15.553 0.000 -0.142) 15.554 19.240 ( -7.431 0.000 -7.409) 10.493 20.087 ( -11.312 0.000 6.349) 12.972 20.258 ( 2.570 0.000 7.274) 7.715 20.325 ( 11.672 0.000 1.546) 11.773 20.716 ( -5.772 0.000 5.900) 8.254 21.412 ( -12.710 0.000 0.844) 12.738 21.630 ( 0.479 0.000 4.816) 4.840 21.838 ( 3.981 0.000 -0.184) 3.985 22.048 ( 15.491 0.000 6.235) 16.699 22.490 ( -9.238 0.000 9.139) 12.994 22.633 ( 2.177 0.000 9.325) 9.575 23.075 ( 1.435 0.000 5.595) 5.776 23.536 ( 3.034 0.000 10.882) 11.297 24.103 ( -7.580 0.000 5.154) 9.166 25.643 ( 1.830 0.000 0.577) 1.919 25.799 ( -2.049 0.000 -1.991) 2.857 25.855 ( 2.836 0.000 -2.461) 3.755 26.022 ( 1.032 0.000 -0.193) 1.050 26.081 ( -2.043 0.000 -3.898) 4.401 26.128 ( -0.335 0.000 1.044) 1.096 26.211 ( 4.883 0.000 -4.601) 6.709 26.897 ( -16.746 0.000 -2.330) 16.907 26.949 ( 3.597 0.000 -1.902) 4.069 27.365 ( -4.957 0.000 1.144) 5.087 27.618 ( 10.822 0.000 0.061) 10.822 27.973 ( -5.598 0.000 4.409) 7.126 28.103 ( 5.640 0.000 5.350) 7.774 28.526 ( -0.118 0.000 1.484) 1.488 28.752 ( 0.986 0.000 -0.028) 0.987 28.894 ( 10.173 0.000 9.064) 13.625 28.914 ( -2.674 0.000 -0.374) 2.700 29.883 ( -7.770 0.000 0.745) 7.806 29.971 ( 0.946 0.000 -1.805) 2.038 29.983 ( 1.274 0.000 -2.111) 2.465 30.379 ( -2.503 0.000 -1.589) 2.965 30.613 ( -3.377 0.000 -0.409) 3.401 30.723 ( 4.844 0.000 -1.994) 5.238 30.950 ( -2.004 0.000 -6.880) 7.166 34.680 ( 0.992 0.000 -4.261) 4.375 34.684 ( 1.243 0.000 -4.434) 4.605 ======================= Grid point 102 (27/36) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 1.899 0.000 3.659) 4.122 2.428 ( -1.559 0.000 3.784) 4.092 2.564 ( 6.211 0.000 1.770) 6.459 2.591 ( 4.408 0.000 1.280) 4.590 2.737 ( 0.955 0.000 4.341) 4.444 2.781 ( -4.528 0.000 3.296) 5.601 3.014 ( -1.312 0.000 -4.393) 4.584 3.048 ( -3.923 0.000 -1.884) 4.352 3.622 ( 5.503 0.000 4.850) 7.335 3.644 ( 4.757 0.000 3.232) 5.751 3.809 ( 4.542 0.000 1.777) 4.877 3.913 ( 3.579 0.000 1.009) 3.718 3.969 ( -1.655 0.000 0.688) 1.792 4.224 ( -15.382 0.000 -0.929) 15.411 4.318 ( 1.957 0.000 1.006) 2.201 4.338 ( 1.893 0.000 -1.726) 2.562 4.435 ( -1.319 0.000 -0.616) 1.456 4.477 ( -3.940 0.000 -3.251) 5.108 5.069 ( 13.047 0.000 -5.461) 14.144 5.411 ( -19.317 0.000 -2.722) 19.507 5.933 ( 15.608 0.000 -4.217) 16.168 6.092 ( -3.243 0.000 -2.240) 3.941 6.311 ( 14.773 0.000 0.286) 14.776 6.661 ( -10.353 0.000 7.572) 12.826 6.941 ( 13.147 0.000 13.400) 18.772 6.965 ( -1.614 0.000 4.721) 4.989 7.208 ( 3.917 0.000 7.054) 8.069 7.210 ( 2.037 0.000 7.225) 7.506 7.416 ( 10.612 0.000 -2.115) 10.820 7.593 ( 1.785 0.000 1.774) 2.517 7.730 ( -5.629 0.000 -3.278) 6.514 7.776 ( -9.366 0.000 -13.184) 16.172 8.143 ( 1.298 0.000 14.629) 14.687 8.155 ( 0.877 0.000 15.209) 15.234 8.447 ( -0.676 0.000 14.596) 14.611 8.533 ( -10.095 0.000 10.296) 14.419 8.768 ( 6.342 0.000 4.569) 7.817 8.848 ( -2.885 0.000 8.364) 8.847 9.363 ( -0.117 0.000 3.662) 3.664 9.472 ( -8.894 0.000 7.496) 11.631 9.597 ( -1.161 0.000 10.837) 10.899 9.664 ( -5.431 0.000 1.099) 5.541 9.852 ( 2.321 0.000 17.922) 18.071 9.969 ( -3.435 0.000 8.145) 8.840 10.264 ( 6.043 0.000 -3.397) 6.933 10.319 ( 0.206 0.000 -4.074) 4.079 10.718 ( -1.968 0.000 -5.687) 6.018 10.816 ( -11.213 0.000 -2.530) 11.495 11.315 ( 14.427 0.000 -4.016) 14.976 11.428 ( 0.829 0.000 -8.917) 8.955 11.631 ( 1.250 0.000 -27.206) 27.234 11.865 ( -17.455 0.000 -17.416) 24.658 11.932 ( 1.741 0.000 -18.955) 19.035 11.965 ( 1.041 0.000 -12.395) 12.439 12.478 ( 1.764 0.000 -13.932) 14.044 12.654 ( -10.868 0.000 -4.400) 11.725 12.811 ( 25.768 0.000 -3.832) 26.052 12.973 ( 24.854 0.000 -5.048) 25.362 13.362 ( -20.014 0.000 -3.199) 20.268 13.458 ( 2.304 0.000 -4.091) 4.695 13.525 ( -10.369 0.000 -5.600) 11.785 13.692 ( -10.253 0.000 -2.030) 10.452 13.951 ( 6.057 0.000 2.490) 6.549 14.045 ( -3.436 0.000 1.223) 3.647 14.568 ( 4.551 0.000 -4.550) 6.435 14.650 ( -3.809 0.000 -2.006) 4.305 14.731 ( 11.587 0.000 -5.354) 12.764 15.056 ( -18.148 0.000 -6.676) 19.337 15.355 ( 11.451 0.000 -6.071) 12.960 15.562 ( -9.502 0.000 -1.206) 9.578 15.701 ( 4.748 0.000 2.330) 5.289 15.767 ( -2.452 0.000 1.389) 2.818 17.099 ( 0.759 0.000 5.153) 5.209 17.135 ( -2.769 0.000 9.573) 9.965 17.657 ( 16.707 0.000 -1.460) 16.770 17.846 ( -1.651 0.000 0.501) 1.725 18.062 ( 3.391 0.000 -1.793) 3.836 18.278 ( -18.128 0.000 -1.349) 18.178 18.727 ( 14.948 0.000 -6.869) 16.451 19.025 ( -13.575 0.000 -6.592) 15.091 19.369 ( 20.633 0.000 2.916) 20.838 19.774 ( -18.918 0.000 5.515) 19.705 20.333 ( 4.891 0.000 6.881) 8.442 20.439 ( -4.025 0.000 5.042) 6.451 20.772 ( 14.728 0.000 2.413) 14.925 21.112 ( -16.830 0.000 1.184) 16.872 21.721 ( 7.014 0.000 2.580) 7.473 21.846 ( -3.800 0.000 0.071) 3.801 22.274 ( 5.813 0.000 7.382) 9.396 22.346 ( -4.184 0.000 8.760) 9.708 22.750 ( 10.241 0.000 7.994) 12.991 22.979 ( -10.136 0.000 7.147) 12.403 23.682 ( 10.576 0.000 9.039) 13.912 23.908 ( -11.194 0.000 7.088) 13.249 25.692 ( 2.905 0.000 -0.169) 2.910 25.751 ( -2.758 0.000 -1.040) 2.948 25.921 ( 3.536 0.000 -2.269) 4.202 25.991 ( -3.234 0.000 -2.268) 3.950 26.088 ( 1.659 0.000 -1.445) 2.200 26.116 ( -0.990 0.000 -0.265) 1.024 26.346 ( 8.873 0.000 -3.741) 9.630 26.575 ( -14.095 0.000 -2.728) 14.357 27.068 ( 7.482 0.000 -0.619) 7.508 27.229 ( -8.033 0.000 0.479) 8.048 27.775 ( 5.457 0.000 1.432) 5.642 27.869 ( -4.609 0.000 2.925) 5.459 28.262 ( 9.353 0.000 4.404) 10.338 28.439 ( -7.509 0.000 3.665) 8.356 28.787 ( 2.519 0.000 0.073) 2.520 28.849 ( -3.498 0.000 -0.078) 3.499 29.205 ( 19.093 0.000 7.984) 20.695 29.598 ( -18.739 0.000 7.013) 20.008 29.997 ( 1.179 0.000 -2.431) 2.702 30.005 ( 0.510 0.000 -2.300) 2.356 30.415 ( 4.798 0.000 -3.221) 5.779 30.523 ( -5.338 0.000 -1.538) 5.555 30.813 ( 4.217 0.000 -4.750) 6.351 30.893 ( -3.616 0.000 -6.426) 7.373 34.701 ( 0.809 0.000 -4.678) 4.747 34.705 ( 0.506 0.000 -4.842) 4.868 ======================= Grid point 106 (28/36) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -0.272 -0.272 5.896) 5.908 2.411 ( 1.797 1.797 2.704) 3.711 2.544 ( -2.387 -2.387 2.760) 4.360 2.587 ( 6.386 6.386 0.518) 9.046 2.733 ( 4.498 4.498 3.944) 7.484 2.743 ( -6.436 -6.436 0.344) 9.108 3.103 ( -2.472 -2.472 0.293) 3.508 3.131 ( 2.877 2.877 -2.757) 4.915 3.434 ( 0.096 0.096 2.918) 2.921 3.620 ( 6.298 6.298 2.307) 9.200 3.761 ( 1.504 1.504 4.070) 4.592 3.846 ( 4.295 4.295 0.503) 6.094 4.018 ( -9.090 -9.090 1.903) 12.996 4.283 ( 1.749 1.749 -1.369) 2.826 4.311 ( 2.072 2.072 -1.232) 3.179 4.401 ( -6.129 -6.129 -1.262) 8.759 4.490 ( -1.784 -1.784 -2.256) 3.385 4.567 ( -1.851 -1.851 -1.378) 2.958 4.987 ( 6.825 6.825 -6.156) 11.448 5.691 ( 12.352 12.352 -5.357) 18.271 5.922 ( 2.292 2.292 2.963) 4.391 5.970 ( -2.709 -2.709 -2.471) 4.558 6.240 ( 1.812 1.812 -1.712) 3.081 6.253 ( 6.123 6.123 6.332) 10.728 6.943 ( 20.622 20.622 10.444) 30.978 6.990 ( -3.103 -3.103 6.513) 7.853 7.194 ( -5.493 -5.493 6.803) 10.326 7.241 ( -7.207 -7.207 2.494) 10.493 7.370 ( 9.063 9.063 3.267) 13.227 7.411 ( 0.448 0.448 1.542) 1.667 7.848 ( -3.960 -3.960 -9.627) 11.137 7.965 ( -9.548 -9.548 8.639) 16.030 8.020 ( -6.714 -6.714 6.251) 11.367 8.162 ( -3.021 -3.021 13.699) 14.350 8.408 ( 2.010 2.010 -3.390) 4.424 8.489 ( 7.757 7.757 23.102) 25.575 8.950 ( 2.261 2.261 4.589) 5.594 9.081 ( -1.946 -1.946 4.666) 5.417 9.274 ( -9.721 -9.721 13.059) 18.961 9.314 ( 2.213 2.213 -0.387) 3.154 9.609 ( 1.782 1.782 19.079) 19.244 9.852 ( 3.412 3.412 7.618) 9.018 9.913 ( -6.614 -6.614 0.412) 9.363 10.069 ( -3.400 -3.400 9.944) 11.045 10.102 ( -5.930 -5.930 -3.166) 8.964 10.517 ( 3.438 3.438 -4.851) 6.869 10.531 ( -7.501 -7.501 -1.386) 10.698 10.994 ( 3.476 3.476 -11.009) 12.057 11.269 ( 9.822 9.822 -4.374) 14.563 11.352 ( 0.939 0.939 -7.660) 7.774 11.723 ( -0.701 -0.701 -15.581) 15.613 11.727 ( 0.132 0.132 -26.665) 26.666 12.071 ( -3.378 -3.378 1.040) 4.889 12.223 ( -7.386 -7.386 -6.207) 12.150 12.265 ( 8.442 8.442 -12.842) 17.534 12.394 ( -12.565 -12.565 -19.967) 26.730 12.732 ( 18.704 18.704 -4.588) 26.847 12.939 ( -3.946 -3.946 -16.447) 17.368 13.278 ( 8.132 8.132 0.104) 11.501 13.449 ( 1.642 1.642 0.288) 2.339 13.643 ( -7.453 -7.453 -1.707) 10.677 13.839 ( -6.560 -6.560 3.061) 9.769 13.983 ( -3.004 -3.004 -1.122) 4.394 14.057 ( -2.652 -2.652 -3.310) 5.002 14.473 ( -7.011 -7.011 -2.315) 10.181 14.606 ( 3.815 3.815 -10.116) 11.464 14.709 ( -3.216 -3.216 -5.008) 6.765 15.179 ( 7.968 7.968 -5.398) 12.495 15.381 ( -5.387 -5.387 -2.253) 7.945 15.578 ( 3.857 3.857 -0.948) 5.537 15.726 ( 1.503 1.503 4.941) 5.379 15.748 ( -8.988 -8.988 -2.260) 12.910 17.044 ( -1.760 -1.760 3.862) 4.595 17.251 ( -0.325 -0.325 6.683) 6.699 17.466 ( 14.942 14.942 0.170) 21.132 17.860 ( 2.899 2.899 4.655) 6.203 18.072 ( 4.256 4.256 -1.573) 6.221 18.510 ( 3.342 3.342 -8.020) 9.309 18.650 ( -6.434 -6.434 -1.265) 9.186 18.933 ( 1.497 1.497 -0.994) 2.339 19.212 ( -3.312 -3.312 -5.366) 7.123 19.909 ( -14.143 -14.143 7.654) 21.416 20.366 ( 6.374 6.374 6.327) 11.013 20.425 ( 9.834 9.834 0.696) 13.925 20.687 ( -2.461 -2.461 5.786) 6.752 21.352 ( -7.722 -7.722 0.677) 10.941 21.501 ( -3.875 -3.875 3.152) 6.322 21.902 ( -3.103 -3.103 -0.417) 4.408 22.127 ( 9.483 9.483 8.041) 15.637 22.564 ( 5.510 5.510 8.108) 11.245 22.572 ( -1.974 -1.974 9.693) 10.087 23.156 ( 4.221 4.221 5.721) 8.268 23.510 ( -0.674 -0.674 10.739) 10.782 24.027 ( -7.222 -7.222 5.838) 11.765 25.659 ( 1.625 1.625 0.305) 2.319 25.811 ( -0.544 -0.544 -3.391) 3.478 25.845 ( 0.882 0.882 -0.490) 1.341 26.036 ( -2.862 -2.862 -2.699) 4.865 26.047 ( 1.699 1.699 0.504) 2.455 26.163 ( 1.559 1.559 0.159) 2.211 26.228 ( 2.524 2.524 -5.995) 6.977 26.761 ( -11.377 -11.377 -2.733) 16.320 26.988 ( 4.138 4.138 -1.203) 5.975 27.367 ( -2.131 -2.131 1.112) 3.213 27.615 ( 1.194 1.194 0.680) 1.821 27.901 ( -6.015 -6.015 3.519) 9.206 28.196 ( 8.765 8.765 4.836) 13.305 28.627 ( 5.174 5.174 2.070) 7.604 28.759 ( 0.900 0.900 -0.055) 1.274 28.867 ( -0.885 -0.885 2.952) 3.207 28.928 ( 2.655 2.655 6.240) 7.282 29.837 ( -9.443 -9.443 6.289) 14.761 29.929 ( 0.325 0.325 -3.323) 3.355 29.989 ( 0.231 0.231 -2.906) 2.924 30.375 ( 1.182 1.182 -3.244) 3.650 30.595 ( -2.236 -2.236 -0.364) 3.183 30.756 ( 2.842 2.842 -3.391) 5.258 30.936 ( -1.417 -1.417 -7.023) 7.303 34.687 ( 0.797 0.797 -4.309) 4.454 34.698 ( 0.999 0.999 -4.739) 4.945 ======================= Grid point 107 (29/36) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 2.033 -7.814 6.172) 10.163 2.442 ( 1.860 1.637 2.595) 3.588 2.485 ( -2.327 0.897 2.169) 3.305 2.596 ( -5.762 -5.784 -1.473) 8.296 2.713 ( 4.766 -2.810 4.384) 7.059 2.836 ( 1.726 4.676 3.156) 5.899 3.079 ( 2.157 5.240 -3.568) 6.697 3.149 ( -1.998 8.563 -3.467) 9.452 3.492 ( 6.048 -6.687 3.779) 9.777 3.640 ( -5.673 -5.203 3.544) 8.474 3.799 ( 1.818 0.237 1.960) 2.684 3.843 ( -4.032 -4.212 1.616) 6.050 4.013 ( 10.164 3.046 0.208) 10.613 4.228 ( -9.838 -2.262 -0.624) 10.114 4.346 ( 2.074 2.944 0.304) 3.614 4.373 ( 4.188 2.569 -1.446) 5.122 4.444 ( -2.024 0.292 -1.493) 2.532 4.497 ( -4.561 2.725 -1.257) 5.460 5.216 ( 15.686 14.023 -5.272) 21.691 5.570 ( -18.152 14.490 -2.636) 23.375 5.977 ( 9.601 2.248 -4.520) 10.847 6.149 ( -5.722 4.402 -3.361) 7.963 6.310 ( 20.721 0.614 1.698) 20.799 6.530 ( 10.067 -8.195 9.165) 15.890 6.863 ( -12.230 2.020 6.038) 13.787 7.056 ( -2.638 -7.266 5.902) 9.726 7.113 ( -0.211 -2.440 4.794) 5.383 7.225 ( -0.109 2.092 8.935) 9.177 7.402 ( 1.100 -6.410 2.589) 7.000 7.475 ( -2.524 -7.060 3.649) 8.338 7.740 ( -0.771 -4.440 3.598) 5.767 7.877 ( -5.850 -0.594 6.378) 8.675 8.012 ( 11.889 4.101 -2.231) 12.773 8.174 ( 0.762 -1.792 6.139) 6.440 8.478 ( 4.802 9.773 7.430) 13.183 8.614 ( 0.662 6.814 18.278) 19.518 8.791 ( -5.637 -0.224 12.755) 13.947 8.945 ( -11.711 7.261 11.515) 17.958 9.236 ( 9.848 -10.783 -2.203) 14.768 9.484 ( -1.577 -3.974 8.892) 9.867 9.573 ( -3.794 -2.490 -4.055) 6.086 9.689 ( -5.392 3.865 7.388) 9.929 9.880 ( -0.778 -4.078 4.069) 5.813 9.954 ( -5.358 8.593 3.152) 10.606 10.160 ( 7.191 -10.117 -1.150) 12.466 10.315 ( -7.367 -0.436 2.229) 7.709 10.705 ( 10.823 3.147 -0.636) 11.289 10.944 ( -10.526 6.394 -7.470) 14.404 11.389 ( 9.669 5.636 0.437) 11.200 11.467 ( 3.480 3.897 -6.541) 8.372 11.693 ( -1.422 4.153 -21.685) 22.125 11.764 ( -4.501 -6.130 -15.032) 16.846 11.873 ( -3.264 -4.999 -17.003) 18.021 12.029 ( -10.707 0.617 -15.340) 18.717 12.347 ( 7.227 -3.553 -6.310) 10.231 12.624 ( 13.838 -7.121 -2.353) 15.740 12.798 ( 0.914 3.502 -17.611) 17.979 13.123 ( 14.280 8.093 -2.530) 16.607 13.257 ( -18.777 -8.074 -1.575) 20.500 13.451 ( 2.369 -4.102 -1.999) 5.141 13.541 ( 1.243 1.164 -2.725) 3.213 13.651 ( -8.306 -2.969 -0.335) 8.827 13.896 ( -4.838 -3.241 -3.028) 6.563 14.004 ( -1.871 -2.708 -4.550) 5.616 14.452 ( 3.478 -9.277 -3.375) 10.467 14.551 ( -5.848 -0.664 -5.450) 8.021 14.827 ( 12.321 1.552 -7.215) 14.362 15.131 ( -15.382 1.067 -6.627) 16.783 15.368 ( 9.407 2.877 -2.130) 10.065 15.550 ( -8.484 0.223 -0.799) 8.524 15.700 ( 4.653 -0.228 1.897) 5.030 15.754 ( -0.350 -0.235 2.942) 2.972 17.025 ( -0.466 -2.794 6.391) 6.991 17.232 ( -0.704 3.612 2.477) 4.436 17.793 ( 13.533 13.499 1.728) 19.193 17.937 ( 5.432 8.321 2.313) 10.203 18.131 ( 2.082 5.956 -1.642) 6.520 18.339 ( -18.174 5.840 -0.993) 19.115 18.670 ( 9.384 -5.677 -4.639) 11.908 18.979 ( -5.092 -4.047 -8.983) 11.090 19.247 ( 12.706 -10.342 4.615) 17.020 19.581 ( -17.728 -16.277 7.255) 25.136 20.461 ( 3.938 10.902 5.334) 12.759 20.547 ( -2.316 8.839 3.699) 9.858 20.777 ( 14.793 0.217 2.172) 14.954 21.100 ( -15.483 -1.506 0.891) 15.582 21.556 ( 7.189 -11.112 1.949) 13.377 21.747 ( -9.917 -10.461 0.415) 14.420 22.318 ( 8.352 5.572 8.666) 13.263 22.463 ( -5.977 5.425 8.975) 12.071 22.811 ( 14.467 7.774 7.572) 18.085 23.091 ( -10.305 9.822 6.534) 15.664 23.612 ( 10.172 -6.757 9.034) 15.190 23.837 ( -11.141 -6.921 7.378) 15.049 25.703 ( 2.345 1.080 -0.428) 2.617 25.771 ( -2.342 1.725 -2.133) 3.607 25.898 ( 3.385 -1.804 -1.050) 3.977 25.969 ( -3.551 -2.181 -1.799) 4.539 26.081 ( 1.123 0.549 1.861) 2.242 26.171 ( -0.166 3.926 -2.855) 4.857 26.330 ( 7.318 -1.302 -4.925) 8.916 26.524 ( -11.110 -4.713 -3.688) 12.619 27.105 ( 7.132 3.548 -0.121) 7.967 27.260 ( -7.387 2.498 0.581) 7.819 27.679 ( 4.443 -7.030 1.691) 8.487 27.780 ( -5.634 -7.174 2.537) 9.468 28.401 ( 10.594 11.652 4.490) 16.376 28.588 ( -7.239 12.308 4.076) 14.849 28.784 ( 1.788 0.019 0.149) 1.795 28.832 ( -2.683 -1.443 -0.012) 3.047 29.154 ( 17.491 -5.002 8.265) 19.982 29.536 ( -18.335 -7.084 7.988) 21.217 29.964 ( 1.904 -1.938 -2.682) 3.817 29.989 ( -0.462 -1.285 -2.793) 3.109 30.436 ( 4.231 2.025 -2.882) 5.505 30.528 ( -4.085 0.092 -1.287) 4.284 30.815 ( 2.556 -0.006 -5.151) 5.750 30.898 ( -2.079 0.516 -7.230) 7.541 34.706 ( 0.824 0.528 -4.649) 4.751 34.713 ( 0.243 0.602 -4.913) 4.956 ======================= Grid point 112 (30/36) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -3.544 -3.544 7.406) 8.943 2.460 ( -2.069 -2.069 -2.511) 3.856 2.495 ( 3.114 3.114 3.324) 5.517 2.558 ( -0.603 -0.603 2.208) 2.367 2.636 ( -2.356 -2.356 5.678) 6.583 2.862 ( -0.715 -0.715 -2.592) 2.782 3.226 ( 6.603 6.603 -3.483) 9.966 3.267 ( 2.374 2.374 -3.621) 4.938 3.423 ( -0.183 -0.183 4.143) 4.151 3.488 ( -6.930 -6.930 3.755) 10.495 3.820 ( 1.036 1.036 1.122) 1.845 3.821 ( 0.452 0.452 1.167) 1.331 4.042 ( 1.459 1.459 0.935) 2.265 4.140 ( -5.217 -5.217 -0.207) 7.381 4.363 ( 0.019 0.019 -0.302) 0.303 4.435 ( -0.394 -0.394 -2.649) 2.707 4.479 ( 5.399 5.399 0.152) 7.636 4.539 ( -0.078 -0.078 0.059) 0.126 5.569 ( 18.856 18.856 -5.265) 27.181 5.874 ( -1.128 -1.128 -6.403) 6.599 5.913 ( 5.852 5.852 -2.132) 8.547 6.153 ( -6.656 -6.656 -6.316) 11.336 6.347 ( -0.767 -0.767 12.078) 12.127 6.555 ( 14.388 14.388 5.170) 20.994 6.904 ( -6.084 -6.084 5.695) 10.318 6.909 ( -6.515 -6.515 1.895) 9.406 7.075 ( 7.243 7.243 8.121) 13.072 7.248 ( -2.285 -2.285 2.058) 3.831 7.263 ( -3.981 -3.981 4.979) 7.516 7.369 ( -3.968 -3.968 12.468) 13.673 7.490 ( -9.833 -9.833 3.921) 14.448 7.613 ( -15.290 -15.290 11.547) 24.514 8.287 ( 15.102 15.102 -3.526) 21.646 8.366 ( 7.382 7.382 19.452) 22.076 8.678 ( 8.585 8.585 4.029) 12.792 8.700 ( 2.993 2.993 13.444) 14.095 8.909 ( 2.111 2.111 16.912) 17.174 8.922 ( -0.664 -0.664 -8.481) 8.533 9.088 ( 0.300 0.300 18.672) 18.677 9.330 ( -17.769 -17.769 -4.826) 25.588 9.426 ( -4.598 -4.598 -1.236) 6.619 9.685 ( -0.793 -0.793 -13.021) 13.069 9.953 ( 5.743 5.743 1.521) 8.263 10.022 ( -0.495 -0.495 4.262) 4.319 10.128 ( 5.710 5.710 -2.348) 8.410 10.254 ( -5.856 -5.856 -2.439) 8.633 10.841 ( 10.837 10.837 5.040) 16.133 11.015 ( -1.939 -1.939 -2.231) 3.535 11.352 ( -4.140 -4.140 3.902) 7.036 11.586 ( -6.416 -6.416 -9.604) 13.212 11.682 ( 10.435 10.435 -0.677) 14.773 11.778 ( -1.309 -1.309 -26.173) 26.238 11.790 ( 1.679 1.679 -19.925) 20.066 11.959 ( -6.418 -6.418 -6.122) 10.948 12.421 ( 6.085 6.085 5.244) 10.077 12.530 ( -0.601 -0.601 -4.223) 4.308 12.839 ( 1.562 1.562 -25.196) 25.293 12.993 ( -13.546 -13.546 -10.383) 21.790 13.312 ( 8.362 8.362 0.495) 11.836 13.376 ( -0.854 -0.854 3.078) 3.306 13.527 ( -3.431 -3.431 1.181) 4.994 13.544 ( -6.846 -6.846 1.200) 9.756 13.893 ( 3.652 3.652 -10.473) 11.677 13.974 ( -2.218 -2.218 -12.142) 12.541 14.387 ( 3.201 3.201 -3.625) 5.800 14.511 ( -5.225 -5.225 -5.238) 9.058 14.838 ( 3.699 3.699 -9.737) 11.053 15.003 ( -10.497 -10.497 -9.344) 17.541 15.485 ( 7.078 7.078 2.480) 10.312 15.581 ( -0.627 -0.627 4.153) 4.246 15.700 ( 1.205 1.205 0.379) 1.746 15.748 ( -1.015 -1.015 2.061) 2.512 16.988 ( -0.936 -0.936 5.301) 5.464 17.266 ( 0.476 0.476 -2.251) 2.350 18.118 ( 9.510 9.510 3.837) 13.985 18.129 ( 14.771 14.771 2.834) 21.081 18.250 ( 5.088 5.088 -1.460) 7.343 18.423 ( -4.108 -4.108 -0.765) 5.860 18.530 ( -4.742 -4.742 0.176) 6.708 18.923 ( 1.249 1.249 -10.086) 10.240 19.065 ( -4.389 -4.389 5.048) 8.001 19.224 ( -17.123 -17.123 9.215) 25.910 20.672 ( 7.694 7.694 2.980) 11.281 20.761 ( 5.683 5.683 4.191) 9.064 20.767 ( 5.351 5.351 0.112) 7.569 21.010 ( -8.853 -8.853 0.632) 12.535 21.410 ( -0.991 -0.991 1.562) 2.099 21.519 ( -10.184 -10.184 1.030) 14.439 22.424 ( 4.008 4.008 9.625) 11.170 22.499 ( -0.805 -0.805 8.991) 9.063 23.054 ( 13.994 13.994 7.526) 21.174 23.273 ( 1.774 1.774 5.423) 5.975 23.473 ( -0.849 -0.849 9.420) 9.496 23.648 ( -11.278 -11.278 7.983) 17.836 25.731 ( 1.349 1.349 -1.633) 2.511 25.798 ( 0.341 0.341 -4.411) 4.437 25.877 ( 0.535 0.535 1.481) 1.663 25.916 ( -2.704 -2.704 -0.127) 3.826 26.099 ( 0.730 0.730 4.677) 4.789 26.247 ( 2.506 2.506 -3.578) 5.037 26.318 ( 1.503 1.503 -7.521) 7.815 26.411 ( -5.836 -5.836 -5.519) 9.928 27.198 ( 5.167 5.167 0.776) 7.348 27.286 ( -1.166 -1.166 0.488) 1.720 27.580 ( -1.149 -1.149 1.859) 2.469 27.640 ( -5.976 -5.976 2.133) 8.716 28.653 ( 11.795 11.795 4.656) 17.318 28.751 ( 0.771 0.771 1.241) 1.652 28.804 ( -0.091 -0.091 0.405) 0.425 28.855 ( 2.899 2.899 3.013) 5.088 29.062 ( 2.115 2.115 9.089) 9.569 29.310 ( -14.211 -14.211 8.378) 21.774 29.952 ( 0.469 0.469 -2.734) 2.813 29.967 ( -0.882 -0.882 -2.725) 2.997 30.483 ( 2.200 2.200 -2.067) 3.735 30.517 ( -1.168 -1.168 -1.350) 2.133 30.810 ( -0.264 -0.264 -5.583) 5.595 30.909 ( 0.445 0.445 -8.508) 8.532 34.718 ( 0.513 0.513 -4.735) 4.790 34.722 ( 0.172 0.172 -4.883) 4.889 ======================= Grid point 125 (31/36) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.688 ( -0.000 0.000 0.000) 0.000 2.790 ( -0.000 -0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.204 ( -0.000 -0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.244 ( -0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.510 ( -0.000 -0.000 0.000) 0.000 4.649 ( -0.000 0.000 0.000) 0.000 4.874 ( -0.000 -0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 5.999 ( -0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.366 ( -0.000 -0.000 0.000) 0.000 7.434 ( -0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 8.045 ( -0.000 0.000 0.000) 0.000 8.045 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.525 ( 0.000 0.000 0.000) 0.000 8.712 ( -0.000 0.000 0.000) 0.000 9.174 ( -0.000 0.000 0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.430 ( -0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.246 ( -0.000 -0.000 0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 10.747 ( -0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 10.875 ( -0.000 0.000 -0.000) 0.000 11.170 ( 0.000 0.000 -0.000) 0.000 11.485 ( 0.000 0.000 0.000) 0.000 11.643 ( -0.000 -0.000 0.000) 0.000 11.643 ( 0.000 0.000 0.000) 0.000 11.933 ( -0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 12.568 ( -0.000 -0.000 0.000) 0.000 12.689 ( -0.000 0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 13.457 ( -0.000 -0.000 0.000) 0.000 13.457 ( 0.000 0.000 0.000) 0.000 14.024 ( 0.000 0.000 0.000) 0.000 14.024 ( -0.000 -0.000 0.000) 0.000 14.227 ( -0.000 -0.000 0.000) 0.000 14.662 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 14.695 ( 0.000 0.000 0.000) 0.000 14.695 ( 0.000 0.000 0.000) 0.000 15.483 ( 0.000 0.000 0.000) 0.000 15.483 ( 0.000 0.000 0.000) 0.000 15.756 ( -0.000 0.000 0.000) 0.000 15.975 ( -0.000 -0.000 0.000) 0.000 17.083 ( 0.000 0.000 0.000) 0.000 17.083 ( -0.000 -0.000 0.000) 0.000 17.440 ( 0.000 0.000 0.000) 0.000 17.887 ( 0.000 0.000 0.000) 0.000 17.948 ( 0.000 0.000 0.000) 0.000 18.335 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 19.227 ( 0.000 0.000 0.000) 0.000 20.169 ( 0.000 0.000 0.000) 0.000 20.314 ( 0.000 0.000 0.000) 0.000 20.314 ( 0.000 0.000 0.000) 0.000 20.851 ( 0.000 0.000 0.000) 0.000 21.573 ( 0.000 0.000 0.000) 0.000 21.767 ( 0.000 0.000 0.000) 0.000 21.767 ( 0.000 0.000 0.000) 0.000 21.853 ( 0.000 0.000 0.000) 0.000 22.720 ( 0.000 0.000 0.000) 0.000 22.720 ( 0.000 0.000 0.000) 0.000 23.059 ( 0.000 0.000 0.000) 0.000 23.643 ( 0.000 0.000 0.000) 0.000 24.227 ( 0.000 0.000 0.000) 0.000 25.634 ( 0.000 0.000 0.000) 0.000 25.792 ( -0.000 -0.000 0.000) 0.000 25.792 ( 0.000 0.000 0.000) 0.000 26.002 ( 0.000 0.000 0.000) 0.000 26.027 ( -0.000 0.000 0.000) 0.000 26.152 ( 0.000 0.000 0.000) 0.000 26.152 ( 0.000 0.000 0.000) 0.000 26.878 ( -0.000 -0.000 0.000) 0.000 27.126 ( -0.000 0.000 0.000) 0.000 27.430 ( -0.000 0.000 0.000) 0.000 27.430 ( 0.000 0.000 0.000) 0.000 28.109 ( 0.000 0.000 0.000) 0.000 28.109 ( 0.000 0.000 0.000) 0.000 28.480 ( 0.000 0.000 0.000) 0.000 28.742 ( 0.000 0.000 0.000) 0.000 28.921 ( 0.000 0.000 0.000) 0.000 28.938 ( 0.000 0.000 0.000) 0.000 29.886 ( 0.000 0.000 0.000) 0.000 29.946 ( 0.000 0.000 0.000) 0.000 29.946 ( 0.000 -0.000 0.000) 0.000 30.463 ( 0.000 0.000 0.000) 0.000 30.648 ( 0.000 -0.000 0.000) 0.000 30.648 ( -0.000 0.000 0.000) 0.000 30.893 ( -0.000 0.000 0.000) 0.000 34.626 ( 0.000 0.000 0.000) 0.000 34.626 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 127 (32/36) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 4.594 0.000 0.000) 4.594 2.409 ( 6.684 0.000 0.000) 6.684 2.468 ( 0.797 0.000 0.000) 0.797 2.600 ( -5.000 0.000 0.000) 5.000 2.731 ( 3.577 0.000 0.000) 3.577 2.843 ( 1.589 0.000 0.000) 1.589 3.050 ( -6.101 0.000 0.000) 6.101 3.149 ( -5.159 0.000 0.000) 5.159 3.507 ( 7.742 0.000 0.000) 7.742 3.519 ( 7.627 0.000 0.000) 7.627 3.787 ( 4.437 0.000 0.000) 4.437 3.803 ( 0.414 0.000 0.000) 0.414 4.150 ( -7.263 0.000 0.000) 7.263 4.254 ( 1.570 0.000 0.000) 1.570 4.269 ( 2.363 0.000 0.000) 2.363 4.463 ( -6.068 0.000 0.000) 6.068 4.485 ( -2.258 0.000 0.000) 2.258 4.549 ( -7.798 0.000 0.000) 7.798 4.863 ( 1.570 0.000 0.000) 1.570 5.482 ( 18.644 0.000 0.000) 18.644 5.785 ( -17.462 0.000 0.000) 17.462 6.116 ( 5.938 0.000 0.000) 5.938 6.134 ( -3.156 0.000 0.000) 3.156 6.498 ( 31.850 0.000 0.000) 31.850 6.617 ( 15.198 0.000 0.000) 15.198 7.152 ( 0.587 0.000 0.000) 0.587 7.171 ( 5.547 0.000 0.000) 5.547 7.313 ( -11.967 0.000 0.000) 11.967 7.364 ( -1.349 0.000 0.000) 1.349 7.496 ( 5.754 0.000 0.000) 5.754 7.886 ( -13.987 0.000 0.000) 13.987 7.934 ( -10.669 0.000 0.000) 10.669 8.210 ( 5.869 0.000 0.000) 5.869 8.346 ( -7.677 0.000 0.000) 7.677 8.542 ( 5.404 0.000 0.000) 5.404 8.581 ( 2.833 0.000 0.000) 2.833 8.811 ( 3.097 0.000 0.000) 3.097 9.179 ( -6.958 0.000 0.000) 6.958 9.360 ( -0.573 0.000 0.000) 0.573 9.486 ( 5.302 0.000 0.000) 5.302 9.810 ( -6.865 0.000 0.000) 6.865 9.862 ( -19.312 0.000 0.000) 19.312 10.106 ( -1.302 0.000 0.000) 1.302 10.266 ( 1.259 0.000 0.000) 1.259 10.334 ( 13.053 0.000 0.000) 13.053 10.494 ( -10.636 0.000 0.000) 10.636 10.766 ( -9.372 0.000 -0.000) 9.372 10.874 ( -1.071 0.000 0.000) 1.071 10.881 ( 11.158 0.000 0.000) 11.158 11.198 ( 1.338 0.000 0.000) 1.338 11.317 ( -6.224 0.000 -0.000) 6.224 11.588 ( 5.193 0.000 0.000) 5.193 11.715 ( -0.955 0.000 0.000) 0.955 12.198 ( 1.432 0.000 0.000) 1.432 12.297 ( -3.380 0.000 0.000) 3.380 12.376 ( 23.197 0.000 0.000) 23.197 12.426 ( -13.391 0.000 0.000) 13.391 12.823 ( -8.272 0.000 0.000) 8.272 13.183 ( 14.474 0.000 0.000) 14.474 13.507 ( 1.584 0.000 0.000) 1.584 13.600 ( 7.710 0.000 0.000) 7.710 13.957 ( -5.241 0.000 0.000) 5.241 14.019 ( -8.947 0.000 0.000) 8.947 14.080 ( -6.511 0.000 0.000) 6.511 14.436 ( -6.185 0.000 0.000) 6.185 14.630 ( -0.394 0.000 0.000) 0.394 14.671 ( -1.936 0.000 0.000) 1.936 15.000 ( 15.453 0.000 0.000) 15.453 15.338 ( -13.816 0.000 0.000) 13.816 15.589 ( 8.100 0.000 0.000) 8.100 15.745 ( -4.245 0.000 0.000) 4.245 15.841 ( -7.407 0.000 0.000) 7.407 17.100 ( 1.730 0.000 0.000) 1.730 17.251 ( 12.151 0.000 0.000) 12.151 17.392 ( -1.936 0.000 0.000) 1.936 17.883 ( -0.541 0.000 0.000) 0.541 17.992 ( 2.822 0.000 0.000) 2.822 18.398 ( 8.074 0.000 0.000) 8.074 18.626 ( -15.534 0.000 0.000) 15.534 18.993 ( 17.059 0.000 0.000) 17.059 19.160 ( -6.885 0.000 0.000) 6.885 20.153 ( -10.129 0.000 0.000) 10.129 20.339 ( 2.446 0.000 0.000) 2.446 20.346 ( 10.168 0.000 0.000) 10.168 20.781 ( -5.560 0.000 0.000) 5.560 21.422 ( -12.245 0.000 0.000) 12.245 21.673 ( -0.390 0.000 0.000) 0.390 21.832 ( 3.323 0.000 0.000) 3.323 22.119 ( 15.640 0.000 0.000) 15.640 22.586 ( -9.369 0.000 0.000) 9.369 22.731 ( 1.645 0.000 0.000) 1.645 23.135 ( 2.475 0.000 0.000) 2.475 23.651 ( 2.277 0.000 0.000) 2.277 24.156 ( -6.728 0.000 0.000) 6.728 25.650 ( 1.522 0.000 0.000) 1.522 25.776 ( -1.443 0.000 0.000) 1.443 25.825 ( 2.956 0.000 0.000) 2.956 26.005 ( -1.699 0.000 0.000) 1.699 26.026 ( 1.726 0.000 0.000) 1.726 26.141 ( -1.040 0.000 0.000) 1.040 26.191 ( 4.026 0.000 0.000) 4.026 26.873 ( -16.893 0.000 0.000) 16.893 26.928 ( 4.668 0.000 0.000) 4.668 27.377 ( -5.187 0.000 0.000) 5.187 27.619 ( 10.982 0.000 0.000) 10.982 28.018 ( -6.544 0.000 0.000) 6.544 28.161 ( 5.308 0.000 0.000) 5.308 28.542 ( 1.754 0.000 0.000) 1.754 28.751 ( 1.051 0.000 0.000) 1.051 28.910 ( -2.535 0.000 0.000) 2.535 28.995 ( 9.136 0.000 0.000) 9.136 29.873 ( -2.786 0.000 0.000) 2.786 29.961 ( 1.259 0.000 0.000) 1.259 29.966 ( 0.819 0.000 0.000) 0.819 30.362 ( -5.294 0.000 0.000) 5.294 30.609 ( -3.813 0.000 0.000) 3.813 30.703 ( 3.369 0.000 0.000) 3.369 30.873 ( -1.893 0.000 0.000) 1.893 34.635 ( 0.811 0.000 0.000) 0.811 34.638 ( 0.970 0.000 0.000) 0.970 ======================= Grid point 129 (33/36) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.861 0.000 0.000) 0.861 2.463 ( -2.324 0.000 0.000) 2.324 2.582 ( 7.247 0.000 0.000) 7.247 2.609 ( 5.061 0.000 0.000) 5.061 2.799 ( 1.906 0.000 0.000) 1.906 2.822 ( -2.649 0.000 0.000) 2.649 2.946 ( -2.204 0.000 0.000) 2.204 3.017 ( -6.964 0.000 0.000) 6.964 3.673 ( 6.022 0.000 0.000) 6.022 3.673 ( 6.065 0.000 0.000) 6.065 3.829 ( 3.084 0.000 0.000) 3.084 3.921 ( 7.844 0.000 0.000) 7.844 3.979 ( -6.585 0.000 0.000) 6.585 4.214 ( -15.375 0.000 0.000) 15.375 4.315 ( 3.718 0.000 0.000) 3.718 4.330 ( 2.386 0.000 0.000) 2.386 4.433 ( -2.495 0.000 0.000) 2.495 4.441 ( -3.710 0.000 0.000) 3.710 5.012 ( 13.921 0.000 0.000) 13.921 5.384 ( -21.193 0.000 0.000) 21.193 5.886 ( 16.111 0.000 0.000) 16.111 6.062 ( -4.509 0.000 0.000) 4.509 6.311 ( 17.230 0.000 0.000) 17.230 6.753 ( -17.046 0.000 0.000) 17.046 7.015 ( 5.891 0.000 0.000) 5.891 7.132 ( 14.703 0.000 0.000) 14.703 7.297 ( 3.701 0.000 0.000) 3.701 7.309 ( 7.704 0.000 0.000) 7.704 7.338 ( 9.999 0.000 -0.000) 9.999 7.566 ( -10.620 0.000 0.000) 10.620 7.636 ( -1.877 0.000 0.000) 1.877 7.674 ( -12.198 0.000 0.000) 12.198 8.317 ( 4.622 0.000 0.000) 4.622 8.372 ( 4.902 0.000 0.000) 4.902 8.572 ( 1.111 0.000 0.000) 1.111 8.611 ( 0.291 0.000 0.000) 0.291 8.824 ( -2.126 0.000 0.000) 2.126 8.918 ( -13.960 0.000 0.000) 13.960 9.360 ( -2.234 0.000 0.000) 2.234 9.378 ( -8.720 0.000 0.000) 8.720 9.797 ( 6.290 0.000 0.000) 6.290 9.807 ( 8.034 0.000 0.000) 8.034 10.046 ( -3.942 0.000 0.000) 3.942 10.163 ( -16.487 0.000 0.000) 16.487 10.351 ( 5.097 0.000 0.000) 5.097 10.477 ( -4.448 0.000 0.000) 4.448 10.679 ( 5.812 0.000 -0.000) 5.812 10.800 ( -4.820 0.000 0.000) 4.820 11.096 ( 7.523 0.000 0.000) 7.523 11.174 ( -1.735 0.000 0.000) 1.735 11.346 ( 10.591 0.000 -0.000) 10.591 11.634 ( -10.424 0.000 0.000) 10.424 11.672 ( -0.310 0.000 0.000) 0.310 11.808 ( -15.849 0.000 0.000) 15.849 12.344 ( 9.060 0.000 0.000) 9.060 12.595 ( -12.378 0.000 0.000) 12.378 12.766 ( 28.071 0.000 0.000) 28.071 12.930 ( 27.639 0.000 0.000) 27.639 13.325 ( -21.753 0.000 0.000) 21.753 13.423 ( 3.612 0.000 0.000) 3.612 13.471 ( -12.899 0.000 0.000) 12.899 13.677 ( -14.451 0.000 0.000) 14.451 13.982 ( 5.964 0.000 0.000) 5.964 14.063 ( -1.784 0.000 0.000) 1.784 14.509 ( 10.139 0.000 0.000) 10.139 14.628 ( -2.678 0.000 0.000) 2.678 14.684 ( 7.013 0.000 0.000) 7.013 14.984 ( -19.546 0.000 0.000) 19.546 15.288 ( 13.276 0.000 0.000) 13.276 15.540 ( -12.152 0.000 0.000) 12.152 15.731 ( 5.225 0.000 0.000) 5.225 15.794 ( -1.450 0.000 0.000) 1.450 17.153 ( 3.650 0.000 0.000) 3.650 17.244 ( -5.159 0.000 0.000) 5.159 17.632 ( 16.693 0.000 0.000) 16.693 17.847 ( -4.200 0.000 0.000) 4.200 18.046 ( 4.225 0.000 0.000) 4.225 18.267 ( -17.698 0.000 0.000) 17.698 18.654 ( 15.598 0.000 0.000) 15.598 18.954 ( -13.311 0.000 0.000) 13.311 19.401 ( 22.242 0.000 0.000) 22.242 19.835 ( -19.996 0.000 0.000) 19.996 20.408 ( 4.383 0.000 0.000) 4.383 20.490 ( -1.449 0.000 0.000) 1.449 20.805 ( 12.535 0.000 0.000) 12.535 21.128 ( -16.592 0.000 0.000) 16.592 21.741 ( 5.679 0.000 0.000) 5.679 21.841 ( -2.887 0.000 0.000) 2.887 22.354 ( 6.482 0.000 0.000) 6.482 22.439 ( -4.631 0.000 0.000) 4.631 22.835 ( 9.622 0.000 0.000) 9.622 23.055 ( -9.658 0.000 0.000) 9.658 23.777 ( 9.545 0.000 0.000) 9.545 23.982 ( -10.058 0.000 0.000) 10.058 25.691 ( 2.420 0.000 0.000) 2.420 25.739 ( -2.243 0.000 0.000) 2.243 25.893 ( 3.442 0.000 0.000) 3.442 25.957 ( -2.870 0.000 0.000) 2.870 26.070 ( 2.293 0.000 0.000) 2.293 26.112 ( -1.841 0.000 0.000) 1.841 26.319 ( 8.872 0.000 0.000) 8.872 26.551 ( -14.267 0.000 0.000) 14.267 27.062 ( 8.152 0.000 0.000) 8.152 27.234 ( -8.508 0.000 0.000) 8.508 27.788 ( 6.254 0.000 0.000) 6.254 27.898 ( -5.359 0.000 0.000) 5.359 28.312 ( 8.945 0.000 0.000) 8.945 28.480 ( -6.910 0.000 0.000) 6.910 28.787 ( 2.523 0.000 0.000) 2.523 28.848 ( -3.360 0.000 0.000) 3.360 29.293 ( 18.749 0.000 0.000) 18.749 29.670 ( -16.938 0.000 0.000) 16.938 29.978 ( 0.739 0.000 0.000) 0.739 29.982 ( 0.525 0.000 0.000) 0.525 30.374 ( 5.443 0.000 0.000) 5.443 30.504 ( -6.405 0.000 0.000) 6.405 30.763 ( 2.871 0.000 0.000) 2.871 30.823 ( -2.960 0.000 0.000) 2.960 34.652 ( 0.628 0.000 0.000) 0.628 34.654 ( 0.437 0.000 0.000) 0.437 ======================= Grid point 137 (34/36) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 0.000 0.000 0.000) 0.001 2.446 ( 0.896 0.896 0.000) 1.267 2.568 ( -2.584 -2.584 0.000) 3.654 2.573 ( 6.644 6.644 -0.000) 9.397 2.751 ( -6.963 -6.963 0.000) 9.848 2.785 ( 6.058 6.058 0.000) 8.567 3.094 ( 2.598 2.598 0.000) 3.675 3.099 ( -4.755 -4.755 0.000) 6.724 3.464 ( 0.448 0.448 0.000) 0.633 3.639 ( 5.910 5.910 0.000) 8.358 3.808 ( 0.476 0.476 0.000) 0.674 3.851 ( 6.062 6.062 0.000) 8.573 4.039 ( -9.578 -9.578 0.000) 13.546 4.267 ( 2.370 2.370 0.000) 3.352 4.297 ( 2.219 2.219 0.000) 3.138 4.387 ( -6.215 -6.215 0.000) 8.789 4.466 ( -1.823 -1.823 0.000) 2.579 4.554 ( -1.199 -1.199 0.000) 1.695 4.923 ( 6.773 6.773 0.000) 9.578 5.632 ( 12.590 12.590 0.000) 17.805 5.946 ( 2.797 2.797 0.000) 3.955 5.947 ( -4.026 -4.026 0.000) 5.694 6.210 ( -0.015 -0.015 0.000) 0.021 6.338 ( 7.517 7.517 0.000) 10.631 7.058 ( -1.805 -1.805 0.000) 2.552 7.087 ( 27.339 27.339 0.000) 38.663 7.265 ( -7.563 -7.563 0.000) 10.696 7.282 ( -6.348 -6.348 0.000) 8.977 7.407 ( -2.218 -2.218 0.000) 3.137 7.414 ( 12.412 12.412 0.000) 17.553 7.669 ( -11.604 -11.604 -0.000) 16.411 8.062 ( -3.037 -3.037 0.000) 4.295 8.132 ( -10.268 -10.268 0.000) 14.522 8.317 ( -5.647 -5.647 0.000) 7.986 8.324 ( 6.447 6.447 0.000) 9.118 8.777 ( 9.389 9.389 0.000) 13.278 8.975 ( 8.630 8.630 0.000) 12.205 9.098 ( -14.644 -14.644 0.000) 20.710 9.336 ( 4.350 4.350 0.000) 6.152 9.340 ( -7.278 -7.278 0.000) 10.292 9.840 ( -7.624 -7.624 0.000) 10.781 9.842 ( -1.208 -1.208 0.000) 1.708 10.088 ( -3.367 -3.367 0.000) 4.762 10.096 ( 0.803 0.803 0.000) 1.135 10.372 ( -12.758 -12.758 -0.000) 18.042 10.527 ( -4.441 -4.441 0.000) 6.281 10.673 ( 6.007 6.007 0.000) 8.495 10.772 ( 5.296 5.296 -0.000) 7.489 11.100 ( 3.173 3.173 -0.000) 4.487 11.262 ( 6.224 6.224 0.000) 8.803 11.310 ( -0.213 -0.213 -0.000) 0.301 11.513 ( 2.137 2.137 0.000) 3.022 12.046 ( 12.398 12.398 0.000) 17.534 12.084 ( -8.936 -8.936 0.000) 12.637 12.157 ( -1.378 -1.378 0.000) 1.948 12.182 ( -11.112 -11.112 0.000) 15.715 12.681 ( 19.181 19.181 0.000) 27.126 12.792 ( -6.976 -6.976 0.000) 9.866 13.279 ( 8.628 8.628 0.000) 12.201 13.463 ( 0.563 0.563 0.000) 0.797 13.608 ( -6.486 -6.486 0.000) 9.172 13.925 ( -6.658 -6.658 0.000) 9.416 13.972 ( -3.478 -3.478 0.000) 4.919 13.983 ( -6.932 -6.932 0.000) 9.803 14.447 ( -7.317 -7.317 0.000) 10.347 14.502 ( 4.864 4.864 0.000) 6.879 14.656 ( -3.439 -3.439 0.000) 4.863 15.121 ( 10.209 10.209 0.000) 14.438 15.351 ( -7.606 -7.606 0.000) 10.757 15.570 ( 3.786 3.786 0.000) 5.355 15.733 ( -6.719 -6.719 0.000) 9.502 15.780 ( 0.981 0.981 0.000) 1.388 17.077 ( 0.430 0.430 0.000) 0.609 17.325 ( -4.808 -4.808 0.000) 6.799 17.466 ( 15.791 15.791 0.000) 22.332 17.921 ( 3.100 3.100 0.000) 4.384 18.057 ( 4.507 4.507 0.000) 6.374 18.419 ( 4.259 4.259 0.000) 6.022 18.637 ( -6.250 -6.250 0.000) 8.839 18.913 ( -0.306 -0.306 0.000) 0.433 19.164 ( -0.265 -0.265 0.000) 0.374 19.993 ( -13.678 -13.678 0.000) 19.343 20.434 ( 9.480 9.480 0.000) 13.406 20.435 ( 5.704 5.704 0.000) 8.066 20.751 ( -2.552 -2.552 0.000) 3.609 21.362 ( -7.690 -7.690 0.000) 10.876 21.530 ( -4.461 -4.461 0.000) 6.308 21.893 ( -2.918 -2.918 0.000) 4.127 22.214 ( 9.847 9.847 0.000) 13.926 22.650 ( 4.889 4.889 0.000) 6.914 22.674 ( -2.058 -2.058 0.000) 2.911 23.216 ( 4.390 4.390 0.000) 6.208 23.623 ( -1.032 -1.032 0.000) 1.459 24.087 ( -6.533 -6.533 0.000) 9.239 25.663 ( 1.332 1.332 0.000) 1.884 25.773 ( -0.852 -0.852 0.000) 1.205 25.839 ( 1.782 1.782 0.000) 2.521 25.991 ( -1.656 -1.656 0.000) 2.341 26.044 ( 1.894 1.894 0.000) 2.679 26.172 ( 0.894 0.894 0.000) 1.264 26.182 ( 1.377 1.377 0.000) 1.948 26.734 ( -11.610 -11.610 0.000) 16.418 26.975 ( 4.647 4.647 0.000) 6.572 27.379 ( -2.244 -2.244 0.000) 3.174 27.622 ( 1.663 1.663 0.000) 2.352 27.936 ( -6.609 -6.609 0.000) 9.346 28.249 ( 8.444 8.444 0.000) 11.941 28.650 ( 5.954 5.954 0.000) 8.420 28.758 ( 0.982 0.982 0.000) 1.388 28.879 ( -2.328 -2.328 0.000) 3.293 29.019 ( 4.021 4.021 0.000) 5.687 29.892 ( 0.541 0.541 0.000) 0.764 29.905 ( -7.045 -7.045 0.000) 9.963 29.958 ( 0.110 0.110 0.000) 0.155 30.337 ( 0.160 0.160 0.000) 0.227 30.592 ( -2.417 -2.417 0.000) 3.418 30.721 ( 1.766 1.766 0.000) 2.498 30.857 ( -1.595 -1.595 0.000) 2.256 34.642 ( 0.687 0.687 0.000) 0.972 34.649 ( 0.819 0.819 0.000) 1.158 ======================= Grid point 139 (35/36) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 4.666 -6.243 0.000) 7.794 2.472 ( 2.132 1.550 0.000) 2.636 2.488 ( -3.804 -0.071 0.000) 3.804 2.575 ( -7.456 -5.337 0.000) 9.169 2.752 ( 8.364 -2.815 0.000) 8.824 2.899 ( -1.948 1.769 0.000) 2.631 3.015 ( 2.002 4.933 0.000) 5.324 3.104 ( -2.504 9.004 0.000) 9.346 3.530 ( 6.260 -6.671 0.000) 9.148 3.673 ( -4.663 -5.289 0.000) 7.051 3.822 ( 0.862 0.242 0.000) 0.896 3.860 ( -4.914 -4.641 0.000) 6.759 4.018 ( 9.937 3.591 0.000) 10.566 4.223 ( -9.662 -2.041 0.000) 9.875 4.350 ( 3.271 1.985 0.000) 3.826 4.356 ( 4.454 3.921 0.000) 5.934 4.423 ( -1.721 -0.898 0.000) 1.941 4.487 ( -5.006 4.129 0.000) 6.490 5.160 ( 16.667 13.993 0.000) 21.762 5.541 ( -19.542 14.022 0.000) 24.052 5.927 ( 10.213 1.786 0.000) 10.368 6.104 ( -7.374 2.779 0.000) 7.881 6.325 ( 23.364 3.375 0.000) 23.606 6.651 ( 9.073 -7.905 0.000) 12.034 6.924 ( -9.365 1.307 0.000) 9.456 7.106 ( -10.303 -10.681 0.000) 14.841 7.180 ( 4.913 -3.953 0.000) 6.306 7.382 ( -1.389 0.689 0.000) 1.550 7.408 ( -7.633 -7.376 0.000) 10.615 7.461 ( 0.728 2.790 -0.000) 2.883 7.737 ( 13.043 13.994 0.000) 19.130 7.919 ( -4.155 12.897 0.000) 13.550 8.053 ( 7.489 -17.502 0.000) 19.037 8.266 ( -6.367 -12.139 0.000) 13.708 8.529 ( 11.753 8.385 0.000) 14.437 8.732 ( -9.228 3.963 0.000) 10.043 8.952 ( 0.595 6.414 0.000) 6.441 9.042 ( -9.054 9.391 0.000) 13.045 9.249 ( 8.418 -4.680 0.000) 9.631 9.434 ( -2.729 -3.679 0.000) 4.581 9.619 ( -4.061 -5.362 0.000) 6.726 9.763 ( -10.206 -13.625 0.000) 17.024 10.035 ( -0.275 -0.718 0.000) 0.769 10.101 ( -6.632 -5.110 -0.000) 8.373 10.218 ( 9.012 -4.116 0.000) 9.908 10.404 ( -8.386 -4.663 0.000) 9.595 10.823 ( 7.475 9.828 0.000) 12.347 10.912 ( 0.829 8.645 -0.000) 8.684 11.144 ( 6.158 2.154 -0.000) 6.524 11.267 ( -3.513 4.391 0.000) 5.623 11.444 ( 11.649 11.021 0.000) 16.036 11.577 ( 2.286 -2.532 0.000) 3.411 11.729 ( -15.029 -7.397 0.000) 16.751 11.826 ( -16.264 10.312 0.000) 19.258 12.278 ( 13.587 -1.271 0.000) 13.646 12.567 ( -13.850 -3.685 0.000) 14.332 12.636 ( 29.585 -8.210 0.000) 30.703 13.094 ( 18.111 10.381 0.000) 20.875 13.238 ( -23.025 -8.361 0.000) 24.496 13.430 ( -0.943 -0.652 0.000) 1.146 13.512 ( 2.409 3.229 0.000) 4.028 13.672 ( -12.660 -1.239 0.000) 12.720 13.880 ( -0.504 -6.825 0.000) 6.844 13.934 ( -3.436 -10.621 0.000) 11.163 14.414 ( 2.743 -9.295 0.000) 9.691 14.495 ( -4.492 -0.973 0.000) 4.596 14.755 ( 12.474 -0.431 0.000) 12.481 15.059 ( -16.788 -0.377 0.000) 16.792 15.343 ( 10.753 6.160 0.000) 12.392 15.541 ( -8.624 2.843 0.000) 9.081 15.725 ( 5.274 -0.966 0.000) 5.362 15.790 ( -0.980 -0.109 0.000) 0.986 17.122 ( 3.685 -1.482 0.000) 3.971 17.215 ( -5.422 -2.968 -0.000) 6.181 17.815 ( 16.864 15.815 0.000) 23.120 17.972 ( 0.672 10.484 0.000) 10.505 18.112 ( 2.544 6.039 0.000) 6.553 18.331 ( -17.767 6.166 0.000) 18.807 18.625 ( 13.340 -2.576 0.000) 13.587 18.875 ( -9.073 -7.439 0.000) 11.733 19.300 ( 15.533 -8.731 0.000) 17.818 19.662 ( -18.547 -14.871 0.000) 23.773 20.519 ( 3.919 9.580 0.000) 10.350 20.584 ( -0.876 7.844 0.000) 7.893 20.807 ( 12.721 -0.011 0.000) 12.721 21.112 ( -15.266 -1.818 0.000) 15.374 21.572 ( 6.731 -11.304 0.000) 13.156 21.746 ( -9.500 -10.113 0.000) 13.875 22.411 ( 8.607 6.126 0.000) 10.564 22.558 ( -6.259 5.788 0.000) 8.525 22.892 ( 14.482 7.362 0.000) 16.246 23.159 ( -10.228 9.341 0.000) 13.851 23.707 ( 9.161 -6.726 0.000) 11.365 23.914 ( -10.238 -6.637 0.000) 12.201 25.699 ( 2.141 0.838 0.000) 2.299 25.742 ( -1.995 0.197 0.000) 2.005 25.890 ( 2.903 -0.107 0.000) 2.905 25.946 ( -2.634 -1.035 0.000) 2.830 26.090 ( 2.528 2.018 0.000) 3.235 26.139 ( -2.242 2.715 0.000) 3.521 26.291 ( 7.765 -2.573 0.000) 8.181 26.488 ( -11.714 -5.687 0.000) 13.022 27.103 ( 7.770 3.974 0.000) 8.727 27.266 ( -7.843 2.585 0.000) 8.258 27.694 ( 4.908 -6.916 0.000) 8.481 27.805 ( -6.101 -7.403 0.000) 9.593 28.450 ( 10.519 11.768 0.000) 15.784 28.632 ( -6.610 12.307 0.000) 13.970 28.785 ( 1.738 0.279 0.000) 1.761 28.832 ( -2.600 -1.335 0.000) 2.923 29.247 ( 17.419 -4.637 0.000) 18.026 29.621 ( -18.142 -6.265 0.000) 19.194 29.936 ( 1.927 -2.503 0.000) 3.159 29.960 ( -0.332 -1.527 0.000) 1.563 30.403 ( 5.348 2.590 0.000) 5.942 30.513 ( -5.123 0.381 0.000) 5.137 30.763 ( 2.377 0.095 0.000) 2.379 30.814 ( -2.542 -0.836 0.000) 2.676 34.657 ( 0.639 0.517 0.000) 0.822 34.661 ( 0.267 0.567 0.000) 0.627 ======================= Grid point 149 (36/36) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -0.677 -0.677 0.000) 0.957 2.374 ( -5.910 -5.910 0.000) 8.359 2.537 ( 3.666 3.666 0.000) 5.184 2.591 ( 0.149 0.149 0.000) 0.210 2.708 ( 1.668 1.668 -0.000) 2.359 2.816 ( -6.569 -6.569 0.000) 9.290 3.181 ( 6.745 6.745 0.000) 9.539 3.222 ( 2.260 2.260 0.000) 3.196 3.465 ( -0.019 -0.019 0.000) 0.027 3.524 ( -6.390 -6.390 0.000) 9.037 3.833 ( 0.525 0.525 0.000) 0.742 3.834 ( 0.191 0.191 0.000) 0.270 4.057 ( 2.158 2.158 0.000) 3.052 4.138 ( -5.286 -5.286 0.000) 7.476 4.370 ( 1.007 1.007 -0.000) 1.424 4.394 ( -1.323 -1.323 0.000) 1.870 4.482 ( 5.563 5.563 0.000) 7.868 4.541 ( 0.097 0.097 0.000) 0.138 5.511 ( 18.763 18.763 0.000) 26.536 5.802 ( -2.140 -2.140 0.000) 3.026 5.881 ( 5.315 5.315 0.000) 7.517 6.080 ( -6.595 -6.595 0.000) 9.326 6.525 ( 13.146 13.146 0.000) 18.591 6.587 ( 2.135 2.135 -0.000) 3.019 6.895 ( -6.895 -6.895 0.000) 9.751 6.965 ( -5.726 -5.726 0.000) 8.098 7.169 ( 9.222 9.222 0.000) 13.042 7.280 ( -1.834 -1.834 0.000) 2.593 7.306 ( -4.343 -4.343 0.000) 6.142 7.544 ( -6.198 -6.198 0.000) 8.766 7.549 ( -11.055 -11.055 0.000) 15.635 7.773 ( -16.622 -16.622 0.000) 23.507 8.195 ( 22.761 22.761 0.000) 32.189 8.476 ( 13.012 13.012 0.000) 18.402 8.714 ( -1.219 -1.219 -0.000) 1.724 8.761 ( 11.099 11.099 0.000) 15.696 8.933 ( -4.180 -4.180 0.000) 5.911 9.083 ( -10.325 -10.325 0.000) 14.602 9.266 ( 4.238 4.238 0.000) 5.993 9.372 ( -10.601 -10.601 0.000) 14.993 9.397 ( -0.482 -0.482 0.000) 0.682 9.513 ( -9.229 -9.229 0.000) 13.051 10.032 ( 1.653 1.653 0.000) 2.337 10.060 ( -0.334 -0.334 -0.000) 0.472 10.234 ( 3.802 3.802 0.000) 5.377 10.323 ( -4.313 -4.313 0.000) 6.099 10.995 ( 5.196 5.196 0.000) 7.348 11.027 ( 1.660 1.660 -0.000) 2.348 11.191 ( 6.422 6.422 -0.000) 9.083 11.334 ( 0.996 0.996 0.000) 1.408 11.456 ( -5.810 -5.810 -0.000) 8.217 11.540 ( -9.054 -9.054 0.000) 12.804 11.756 ( 14.936 14.936 0.000) 21.122 11.942 ( -1.262 -1.262 0.000) 1.784 12.465 ( 0.051 0.051 0.000) 0.072 12.478 ( 6.802 6.802 0.000) 9.620 12.483 ( 2.797 2.797 0.000) 3.956 12.919 ( -21.131 -21.131 0.000) 29.883 13.319 ( 9.645 9.645 0.000) 13.641 13.413 ( -0.206 -0.206 0.000) 0.292 13.550 ( -0.682 -0.682 -0.000) 0.965 13.597 ( -5.979 -5.979 0.000) 8.456 13.762 ( -1.388 -1.388 0.000) 1.963 13.805 ( -3.489 -3.489 0.000) 4.935 14.348 ( 2.831 2.831 0.000) 4.004 14.455 ( -4.966 -4.966 0.000) 7.022 14.742 ( 3.436 3.436 0.000) 4.859 14.908 ( -10.958 -10.958 0.000) 15.496 15.509 ( 8.566 8.566 0.000) 12.114 15.625 ( -0.314 -0.314 0.000) 0.444 15.705 ( 2.021 2.021 0.000) 2.858 15.773 ( -2.244 -2.244 0.000) 3.173 17.115 ( 0.798 0.798 0.000) 1.128 17.152 ( -2.764 -2.764 -0.000) 3.909 18.157 ( 15.691 15.691 -0.000) 22.191 18.174 ( 7.942 7.942 -0.000) 11.232 18.234 ( 4.100 4.100 0.000) 5.798 18.415 ( -4.188 -4.188 0.000) 5.923 18.603 ( 3.484 3.484 0.000) 4.927 18.719 ( -6.141 -6.141 -0.000) 8.685 19.152 ( -1.802 -1.802 0.000) 2.548 19.328 ( -16.230 -16.230 0.000) 22.953 20.703 ( 6.721 6.721 0.000) 9.505 20.769 ( 5.266 5.266 0.000) 7.447 20.808 ( 5.118 5.118 0.000) 7.237 21.019 ( -8.654 -8.654 0.000) 12.239 21.423 ( -1.170 -1.170 0.000) 1.655 21.526 ( -9.810 -9.810 0.000) 13.874 22.528 ( 4.759 4.759 0.000) 6.730 22.592 ( -1.443 -1.443 0.000) 2.040 23.133 ( 14.406 14.406 0.000) 20.373 23.330 ( 1.306 1.306 0.000) 1.846 23.571 ( -1.117 -1.117 0.000) 1.580 23.732 ( -10.862 -10.862 0.000) 15.361 25.721 ( 1.163 1.163 0.000) 1.645 25.740 ( -0.579 -0.579 0.000) 0.819 25.896 ( 0.805 0.805 0.000) 1.138 25.920 ( -1.417 -1.417 0.000) 2.004 26.146 ( 3.390 3.390 -0.000) 4.795 26.207 ( 0.616 0.616 0.000) 0.871 26.238 ( 1.006 1.006 0.000) 1.423 26.354 ( -7.067 -7.067 0.000) 9.995 27.206 ( 5.731 5.731 0.000) 8.104 27.292 ( -1.478 -1.478 0.000) 2.090 27.597 ( -1.046 -1.046 0.000) 1.479 27.660 ( -6.162 -6.162 0.000) 8.715 28.701 ( 10.629 10.629 0.000) 15.032 28.760 ( 0.497 0.497 0.000) 0.703 28.811 ( 1.211 1.211 0.000) 1.713 28.892 ( 3.470 3.470 0.000) 4.908 29.165 ( 2.361 2.361 0.000) 3.339 29.399 ( -14.515 -14.515 0.000) 20.527 29.922 ( 0.611 0.611 0.000) 0.864 29.937 ( -0.798 -0.798 0.000) 1.129 30.460 ( 2.748 2.748 0.000) 3.886 30.503 ( -1.422 -1.422 0.000) 2.011 30.772 ( 0.771 0.771 0.000) 1.090 30.792 ( -1.189 -1.189 -0.000) 1.681 34.668 ( 0.440 0.440 0.000) 0.622 34.670 ( 0.220 0.220 0.000) 0.312 =================== 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 10.0 667.992 667.992 1098.773 0.000 0.000 0.000 3/30000 20.0 468.880 468.880 452.820 0.000 0.000 0.000 3/30000 30.0 186.467 186.467 198.826 0.000 0.000 0.000 3/30000 40.0 97.226 97.226 116.356 0.000 0.000 0.000 3/30000 50.0 60.488 60.488 76.148 0.000 0.000 0.000 3/30000 60.0 42.058 42.058 53.894 0.000 0.000 0.000 3/30000 70.0 31.554 31.554 40.594 0.000 0.000 0.000 3/30000 80.0 25.000 25.000 32.115 0.000 0.000 0.000 3/30000 90.0 20.621 20.621 26.400 0.000 0.000 0.000 3/30000 100.0 17.532 17.532 22.359 0.000 0.000 0.000 3/30000 110.0 15.257 15.257 19.386 0.000 0.000 0.000 3/30000 120.0 13.519 13.519 17.123 0.000 0.000 0.000 3/30000 130.0 12.153 12.153 15.350 0.000 0.000 0.000 3/30000 140.0 11.052 11.052 13.926 0.000 0.000 0.000 3/30000 150.0 10.147 10.147 12.759 0.000 0.000 0.000 3/30000 160.0 9.388 9.388 11.785 0.000 0.000 0.000 3/30000 170.0 8.744 8.744 10.960 0.000 0.000 0.000 3/30000 180.0 8.189 8.189 10.252 0.000 0.000 0.000 3/30000 190.0 7.705 7.705 9.636 0.000 0.000 0.000 3/30000 200.0 7.280 7.280 9.096 0.000 0.000 0.000 3/30000 210.0 6.903 6.903 8.618 0.000 0.000 0.000 3/30000 220.0 6.567 6.567 8.192 0.000 0.000 0.000 3/30000 230.0 6.264 6.264 7.809 0.000 0.000 0.000 3/30000 240.0 5.990 5.990 7.463 0.000 0.000 0.000 3/30000 250.0 5.740 5.740 7.149 0.000 0.000 0.000 3/30000 260.0 5.512 5.512 6.862 0.000 0.000 0.000 3/30000 270.0 5.303 5.303 6.599 0.000 0.000 0.000 3/30000 280.0 5.110 5.110 6.356 0.000 0.000 0.000 3/30000 290.0 4.931 4.931 6.132 0.000 0.000 0.000 3/30000 300.0 4.765 4.765 5.924 0.000 0.000 0.000 3/30000 310.0 4.611 4.611 5.731 0.000 0.000 0.000 3/30000 320.0 4.467 4.467 5.550 0.000 0.000 0.000 3/30000 330.0 4.332 4.332 5.381 0.000 0.000 0.000 3/30000 340.0 4.205 4.205 5.223 0.000 0.000 0.000 3/30000 350.0 4.086 4.086 5.074 0.000 0.000 0.000 3/30000 360.0 3.973 3.973 4.934 0.000 0.000 0.000 3/30000 370.0 3.867 3.867 4.802 0.000 0.000 0.000 3/30000 380.0 3.767 3.767 4.677 0.000 0.000 0.000 3/30000 390.0 3.672 3.672 4.558 0.000 0.000 0.000 3/30000 400.0 3.582 3.582 4.446 0.000 0.000 0.000 3/30000 410.0 3.496 3.496 4.339 0.000 0.000 0.000 3/30000 420.0 3.414 3.414 4.238 0.000 0.000 0.000 3/30000 430.0 3.336 3.336 4.141 0.000 0.000 0.000 3/30000 440.0 3.262 3.262 4.048 0.000 0.000 0.000 3/30000 450.0 3.191 3.191 3.960 0.000 0.000 0.000 3/30000 460.0 3.123 3.123 3.876 0.000 0.000 0.000 3/30000 470.0 3.058 3.058 3.795 0.000 0.000 0.000 3/30000 480.0 2.996 2.996 3.718 0.000 0.000 0.000 3/30000 490.0 2.936 2.936 3.644 0.000 0.000 0.000 3/30000 500.0 2.879 2.879 3.572 0.000 0.000 0.000 3/30000 510.0 2.824 2.824 3.504 0.000 0.000 0.000 3/30000 520.0 2.770 2.770 3.438 0.000 0.000 0.000 3/30000 530.0 2.719 2.719 3.375 0.000 0.000 0.000 3/30000 540.0 2.670 2.670 3.314 0.000 0.000 0.000 3/30000 550.0 2.623 2.623 3.255 0.000 0.000 0.000 3/30000 560.0 2.577 2.577 3.198 0.000 0.000 0.000 3/30000 570.0 2.533 2.533 3.143 0.000 0.000 0.000 3/30000 580.0 2.490 2.490 3.090 0.000 0.000 0.000 3/30000 590.0 2.449 2.449 3.039 0.000 0.000 0.000 3/30000 600.0 2.409 2.409 2.990 0.000 0.000 0.000 3/30000 610.0 2.370 2.370 2.942 0.000 0.000 0.000 3/30000 620.0 2.333 2.333 2.895 0.000 0.000 0.000 3/30000 630.0 2.297 2.297 2.851 0.000 0.000 0.000 3/30000 640.0 2.262 2.262 2.807 0.000 0.000 0.000 3/30000 650.0 2.228 2.228 2.765 0.000 0.000 0.000 3/30000 660.0 2.194 2.194 2.724 0.000 0.000 0.000 3/30000 670.0 2.162 2.162 2.684 0.000 0.000 0.000 3/30000 680.0 2.131 2.131 2.645 0.000 0.000 0.000 3/30000 690.0 2.101 2.101 2.608 0.000 0.000 0.000 3/30000 700.0 2.072 2.072 2.572 0.000 0.000 0.000 3/30000 710.0 2.043 2.043 2.536 0.000 0.000 0.000 3/30000 720.0 2.015 2.015 2.502 0.000 0.000 0.000 3/30000 730.0 1.988 1.988 2.468 0.000 0.000 0.000 3/30000 740.0 1.962 1.962 2.435 0.000 0.000 0.000 3/30000 750.0 1.936 1.936 2.404 0.000 0.000 0.000 3/30000 760.0 1.911 1.911 2.373 0.000 0.000 0.000 3/30000 770.0 1.887 1.887 2.342 0.000 0.000 0.000 3/30000 780.0 1.863 1.863 2.313 0.000 0.000 0.000 3/30000 790.0 1.840 1.840 2.284 0.000 0.000 0.000 3/30000 800.0 1.817 1.817 2.256 0.000 0.000 0.000 3/30000 810.0 1.795 1.795 2.229 0.000 0.000 0.000 3/30000 820.0 1.774 1.774 2.202 0.000 0.000 0.000 3/30000 830.0 1.753 1.753 2.176 0.000 0.000 0.000 3/30000 840.0 1.732 1.732 2.151 0.000 0.000 0.000 3/30000 850.0 1.712 1.712 2.126 0.000 0.000 0.000 3/30000 860.0 1.693 1.693 2.102 0.000 0.000 0.000 3/30000 870.0 1.673 1.673 2.078 0.000 0.000 0.000 3/30000 880.0 1.655 1.655 2.055 0.000 0.000 0.000 3/30000 890.0 1.636 1.636 2.032 0.000 0.000 0.000 3/30000 900.0 1.619 1.619 2.010 0.000 0.000 0.000 3/30000 910.0 1.601 1.601 1.988 0.000 0.000 0.000 3/30000 920.0 1.584 1.584 1.967 0.000 0.000 0.000 3/30000 930.0 1.567 1.567 1.946 0.000 0.000 0.000 3/30000 940.0 1.551 1.551 1.926 0.000 0.000 0.000 3/30000 950.0 1.535 1.535 1.906 0.000 0.000 0.000 3/30000 960.0 1.519 1.519 1.886 0.000 0.000 0.000 3/30000 970.0 1.503 1.503 1.867 0.000 0.000 0.000 3/30000 980.0 1.488 1.488 1.849 0.000 0.000 0.000 3/30000 990.0 1.474 1.474 1.830 0.000 0.000 0.000 3/30000 1000.0 1.459 1.459 1.812 0.000 0.000 0.000 3/30000 Thermal conductivity related properties were written into "kappa-m5510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:54:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|