----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:17:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.617134090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.562834770000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.313055460000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 4 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 *5 Sm 0.27851924576117 0.25000000000000 0.50330043184195 150.360 6 Sm 0.72148075423883 0.75000000000000 0.49669956815805 150.360 7 Sm 0.77851924576117 0.25000000000000 0.99669956815805 150.360 8 Sm 0.22148075423883 0.75000000000000 0.00330043184195 150.360 *9 Ge 0.90421830835230 0.75000000000000 0.05764334802716 72.640 10 Ge 0.59578169164770 0.25000000000000 0.55764334802716 72.640 11 Ge 0.09578169164770 0.25000000000000 0.94235665197284 72.640 12 Ge 0.40421830835230 0.75000000000000 0.44235665197284 72.640 *13 O 0.32851739680633 0.54459333459541 0.29204877351784 15.999 14 O 0.67148260319367 0.45540666540459 0.70795122648216 15.999 15 O 0.17148260319367 0.04459333459541 0.79204877351784 15.999 *16 O 0.60865338132027 0.25000000000000 0.23192620861848 15.999 17 O 0.89134661867973 0.75000000000000 0.73192620861848 15.999 18 O 0.39134661867973 0.75000000000000 0.76807379138152 15.999 *19 O 0.54395721587466 0.75000000000000 0.31885629678015 15.999 20 O 0.04395721587466 0.75000000000000 0.18114370321985 15.999 21 O 0.17148260319367 0.45540666540459 0.79204877351784 15.999 22 O 0.82851739680633 0.54459333459541 0.20795122648216 15.999 23 O 0.45604278412534 0.25000000000000 0.68114370321985 15.999 24 O 0.32851739680633 0.95540666540459 0.29204877351784 15.999 25 O 0.95604278412534 0.25000000000000 0.81885629678015 15.999 26 O 0.10865338132027 0.25000000000000 0.26807379138152 15.999 27 O 0.82851739680633 0.95540666540459 0.20795122648216 15.999 28 O 0.67148260319367 0.04459333459541 0.70795122648216 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.617134090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.562834770000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.313055460000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 2 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 4 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 4 *5 Sm 0.27851924576117 0.25000000000000 0.50330043184195 150.360 > 5 6 Sm 0.72148075423883 0.75000000000000 0.49669956815805 150.360 > 6 7 Sm 0.77851924576117 0.25000000000000 0.99669956815805 150.360 > 7 8 Sm 0.22148075423883 0.75000000000000 0.00330043184195 150.360 > 8 *9 Ge 0.90421830835230 0.75000000000000 0.05764334802716 72.640 > 9 10 Ge 0.59578169164770 0.25000000000000 0.55764334802716 72.640 > 10 11 Ge 0.09578169164770 0.25000000000000 0.94235665197284 72.640 > 11 12 Ge 0.40421830835230 0.75000000000000 0.44235665197284 72.640 > 12 *13 O 0.32851739680633 0.54459333459541 0.29204877351784 15.999 > 13 14 O 0.67148260319367 0.45540666540459 0.70795122648216 15.999 > 14 15 O 0.17148260319367 0.04459333459541 0.79204877351784 15.999 > 15 *16 O 0.60865338132027 0.25000000000000 0.23192620861848 15.999 > 16 17 O 0.89134661867973 0.75000000000000 0.73192620861848 15.999 > 17 18 O 0.39134661867973 0.75000000000000 0.76807379138152 15.999 > 18 *19 O 0.54395721587466 0.75000000000000 0.31885629678015 15.999 > 19 20 O 0.04395721587466 0.75000000000000 0.18114370321985 15.999 > 20 21 O 0.17148260319367 0.45540666540459 0.79204877351784 15.999 > 21 22 O 0.82851739680633 0.54459333459541 0.20795122648216 15.999 > 22 23 O 0.45604278412534 0.25000000000000 0.68114370321985 15.999 > 23 24 O 0.32851739680633 0.95540666540459 0.29204877351784 15.999 > 24 25 O 0.95604278412534 0.25000000000000 0.81885629678015 15.999 > 25 26 O 0.10865338132027 0.25000000000000 0.26807379138152 15.999 > 26 27 O 0.82851739680633 0.95540666540459 0.20795122648216 15.999 > 27 28 O 0.67148260319367 0.04459333459541 0.70795122648216 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.617134090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.125669540000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.626110920000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 1 2 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 1 4 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 1 5 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 2 6 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 2 7 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 2 8 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 2 9 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 3 10 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 3 11 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 3 12 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 3 13 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 4 14 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 4 15 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 4 16 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 4 *17 Sm 0.27851924576117 0.12500000000000 0.25165021592097 150.360 > 5 18 Sm 0.27851924576117 0.62500000000000 0.25165021592097 150.360 > 5 19 Sm 0.27851924576117 0.12500000000000 0.75165021592097 150.360 > 5 20 Sm 0.27851924576117 0.62500000000000 0.75165021592097 150.360 > 5 21 Sm 0.72148075423883 0.37500000000000 0.24834978407903 150.360 > 6 22 Sm 0.72148075423883 0.87500000000000 0.24834978407903 150.360 > 6 23 Sm 0.72148075423883 0.37500000000000 0.74834978407903 150.360 > 6 24 Sm 0.72148075423883 0.87500000000000 0.74834978407903 150.360 > 6 25 Sm 0.77851924576117 0.12500000000000 0.49834978407903 150.360 > 7 26 Sm 0.77851924576117 0.62500000000000 0.49834978407903 150.360 > 7 27 Sm 0.77851924576117 0.12500000000000 0.99834978407903 150.360 > 7 28 Sm 0.77851924576117 0.62500000000000 0.99834978407903 150.360 > 7 29 Sm 0.22148075423883 0.37500000000000 0.00165021592097 150.360 > 8 30 Sm 0.22148075423883 0.87500000000000 0.00165021592097 150.360 > 8 31 Sm 0.22148075423883 0.37500000000000 0.50165021592097 150.360 > 8 32 Sm 0.22148075423883 0.87500000000000 0.50165021592097 150.360 > 8 *33 Ge 0.90421830835230 0.37500000000000 0.02882167401358 72.640 > 9 34 Ge 0.90421830835230 0.87500000000000 0.02882167401358 72.640 > 9 35 Ge 0.90421830835230 0.37500000000000 0.52882167401358 72.640 > 9 36 Ge 0.90421830835230 0.87500000000000 0.52882167401358 72.640 > 9 37 Ge 0.59578169164770 0.12500000000000 0.27882167401358 72.640 > 10 38 Ge 0.59578169164770 0.62500000000000 0.27882167401358 72.640 > 10 39 Ge 0.59578169164770 0.12500000000000 0.77882167401358 72.640 > 10 40 Ge 0.59578169164770 0.62500000000000 0.77882167401358 72.640 > 10 41 Ge 0.09578169164770 0.12500000000000 0.47117832598642 72.640 > 11 42 Ge 0.09578169164770 0.62500000000000 0.47117832598642 72.640 > 11 43 Ge 0.09578169164770 0.12500000000000 0.97117832598642 72.640 > 11 44 Ge 0.09578169164770 0.62500000000000 0.97117832598642 72.640 > 11 45 Ge 0.40421830835230 0.37500000000000 0.22117832598642 72.640 > 12 46 Ge 0.40421830835230 0.87500000000000 0.22117832598642 72.640 > 12 47 Ge 0.40421830835230 0.37500000000000 0.72117832598642 72.640 > 12 48 Ge 0.40421830835230 0.87500000000000 0.72117832598642 72.640 > 12 *49 O 0.32851739680633 0.27229666729771 0.14602438675892 15.999 > 13 50 O 0.32851739680633 0.77229666729770 0.14602438675892 15.999 > 13 51 O 0.32851739680633 0.27229666729771 0.64602438675892 15.999 > 13 52 O 0.32851739680633 0.77229666729770 0.64602438675892 15.999 > 13 53 O 0.67148260319367 0.22770333270230 0.35397561324108 15.999 > 14 54 O 0.67148260319367 0.72770333270230 0.35397561324108 15.999 > 14 55 O 0.67148260319367 0.22770333270230 0.85397561324108 15.999 > 14 56 O 0.67148260319367 0.72770333270230 0.85397561324108 15.999 > 14 57 O 0.17148260319367 0.02229666729770 0.39602438675892 15.999 > 15 58 O 0.17148260319367 0.52229666729770 0.39602438675892 15.999 > 15 59 O 0.17148260319367 0.02229666729770 0.89602438675892 15.999 > 15 60 O 0.17148260319367 0.52229666729770 0.89602438675892 15.999 > 15 *61 O 0.60865338132027 0.12500000000000 0.11596310430924 15.999 > 16 62 O 0.60865338132027 0.62500000000000 0.11596310430924 15.999 > 16 63 O 0.60865338132027 0.12500000000000 0.61596310430924 15.999 > 16 64 O 0.60865338132027 0.62500000000000 0.61596310430924 15.999 > 16 65 O 0.89134661867973 0.37500000000000 0.36596310430924 15.999 > 17 66 O 0.89134661867973 0.87500000000000 0.36596310430924 15.999 > 17 67 O 0.89134661867973 0.37500000000000 0.86596310430924 15.999 > 17 68 O 0.89134661867973 0.87500000000000 0.86596310430924 15.999 > 17 69 O 0.39134661867973 0.37500000000000 0.38403689569076 15.999 > 18 70 O 0.39134661867973 0.87500000000000 0.38403689569076 15.999 > 18 71 O 0.39134661867973 0.37500000000000 0.88403689569076 15.999 > 18 72 O 0.39134661867973 0.87500000000000 0.88403689569076 15.999 > 18 *73 O 0.54395721587466 0.37500000000000 0.15942814839007 15.999 > 19 74 O 0.54395721587466 0.87500000000000 0.15942814839007 15.999 > 19 75 O 0.54395721587466 0.37500000000000 0.65942814839007 15.999 > 19 76 O 0.54395721587466 0.87500000000000 0.65942814839007 15.999 > 19 77 O 0.04395721587466 0.37500000000000 0.09057185160993 15.999 > 20 78 O 0.04395721587466 0.87500000000000 0.09057185160993 15.999 > 20 79 O 0.04395721587466 0.37500000000000 0.59057185160993 15.999 > 20 80 O 0.04395721587466 0.87500000000000 0.59057185160993 15.999 > 20 81 O 0.17148260319367 0.22770333270230 0.39602438675892 15.999 > 21 82 O 0.17148260319367 0.72770333270230 0.39602438675892 15.999 > 21 83 O 0.17148260319367 0.22770333270230 0.89602438675892 15.999 > 21 84 O 0.17148260319367 0.72770333270230 0.89602438675892 15.999 > 21 85 O 0.82851739680633 0.27229666729771 0.10397561324108 15.999 > 22 86 O 0.82851739680633 0.77229666729770 0.10397561324108 15.999 > 22 87 O 0.82851739680633 0.27229666729771 0.60397561324108 15.999 > 22 88 O 0.82851739680633 0.77229666729770 0.60397561324108 15.999 > 22 89 O 0.45604278412534 0.12500000000000 0.34057185160993 15.999 > 23 90 O 0.45604278412534 0.62500000000000 0.34057185160993 15.999 > 23 91 O 0.45604278412534 0.12500000000000 0.84057185160993 15.999 > 23 92 O 0.45604278412534 0.62500000000000 0.84057185160993 15.999 > 23 93 O 0.32851739680633 0.47770333270229 0.14602438675892 15.999 > 24 94 O 0.32851739680633 0.97770333270230 0.14602438675892 15.999 > 24 95 O 0.32851739680633 0.47770333270229 0.64602438675892 15.999 > 24 96 O 0.32851739680633 0.97770333270230 0.64602438675892 15.999 > 24 97 O 0.95604278412534 0.12500000000000 0.40942814839007 15.999 > 25 98 O 0.95604278412534 0.62500000000000 0.40942814839007 15.999 > 25 99 O 0.95604278412534 0.12500000000000 0.90942814839007 15.999 > 25 100 O 0.95604278412534 0.62500000000000 0.90942814839007 15.999 > 25 101 O 0.10865338132027 0.12500000000000 0.13403689569076 15.999 > 26 102 O 0.10865338132027 0.62500000000000 0.13403689569076 15.999 > 26 103 O 0.10865338132027 0.12500000000000 0.63403689569076 15.999 > 26 104 O 0.10865338132027 0.62500000000000 0.63403689569076 15.999 > 26 105 O 0.82851739680633 0.47770333270229 0.10397561324108 15.999 > 27 106 O 0.82851739680633 0.97770333270230 0.10397561324108 15.999 > 27 107 O 0.82851739680633 0.47770333270229 0.60397561324108 15.999 > 27 108 O 0.82851739680633 0.97770333270230 0.60397561324108 15.999 > 27 109 O 0.67148260319367 0.02229666729770 0.35397561324108 15.999 > 28 110 O 0.67148260319367 0.52229666729770 0.35397561324108 15.999 > 28 111 O 0.67148260319367 0.02229666729770 0.85397561324108 15.999 > 28 112 O 0.67148260319367 0.52229666729770 0.85397561324108 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4522501 0.0000000 0.0000000 0.0000000 3.3132733 0.0000000 0.0000000 0.0000000 3.2311161 -------------------------- Born effective charges -------------------------- 1 Na 1.0510764 -0.1693524 -0.0020167 -0.1163339 0.9920305 -0.0628490 -0.0119922 -0.0396978 1.2057051 2 Na 1.0510764 -0.1693524 0.0020167 -0.1163339 0.9920305 0.0628490 0.0119922 0.0396978 1.2057051 3 Na 1.0510764 0.1693524 -0.0020167 0.1163339 0.9920305 0.0628490 -0.0119922 0.0396978 1.2057051 4 Na 1.0510764 0.1693524 0.0020167 0.1163339 0.9920305 -0.0628490 0.0119922 -0.0396978 1.2057051 5 Sm 4.1637101 -0.0000000 0.1425367 0.0000000 4.0765091 0.0000000 0.0687585 -0.0000000 3.3862536 6 Sm 4.1637101 -0.0000000 0.1425367 0.0000000 4.0765091 0.0000000 0.0687585 -0.0000000 3.3862536 7 Sm 4.1637101 -0.0000000 -0.1425367 0.0000000 4.0765091 0.0000000 -0.0687585 -0.0000000 3.3862536 8 Sm 4.1637101 -0.0000000 -0.1425367 0.0000000 4.0765091 0.0000000 -0.0687585 -0.0000000 3.3862536 9 Ge 3.3272335 -0.0000000 0.1957763 0.0000000 2.9354107 0.0000000 -0.1600164 -0.0000000 2.9267070 10 Ge 3.3272335 -0.0000000 -0.1957763 0.0000000 2.9354107 0.0000000 0.1600164 -0.0000000 2.9267070 11 Ge 3.3272335 -0.0000000 0.1957763 0.0000000 2.9354107 0.0000000 -0.1600164 -0.0000000 2.9267070 12 Ge 3.3272335 -0.0000000 -0.1957763 0.0000000 2.9354107 0.0000000 0.1600164 -0.0000000 2.9267070 13 O -1.7165728 -0.2888852 -0.3414108 -0.3526130 -2.6701686 0.4188952 -0.4228990 0.3289147 -1.8540946 14 O -1.7165728 -0.2888852 -0.3414108 -0.3526130 -2.6701686 0.4188952 -0.4228990 0.3289147 -1.8540946 15 O -1.7165728 0.2888852 0.3414108 0.3526130 -2.6701686 0.4188952 0.4228990 0.3289147 -1.8540946 16 O -1.9085100 -0.0000000 0.5347015 0.0000000 -1.3099022 0.0000000 0.6187480 -0.0000000 -2.4295344 17 O -1.9085100 -0.0000000 -0.5347015 0.0000000 -1.3099022 0.0000000 -0.6187480 -0.0000000 -2.4295344 18 O -1.9085100 -0.0000000 0.5347015 0.0000000 -1.3099022 0.0000000 0.6187480 -0.0000000 -2.4295344 19 O -3.2003643 -0.0000000 -0.0762952 0.0000000 -1.3537109 0.0000000 -0.1559803 -0.0000000 -1.3809420 20 O -3.2003643 -0.0000000 0.0762952 0.0000000 -1.3537109 0.0000000 0.1559803 -0.0000000 -1.3809420 21 O -1.7165728 -0.2888852 0.3414108 -0.3526130 -2.6701686 -0.4188952 0.4228990 -0.3289147 -1.8540946 22 O -1.7165728 -0.2888852 0.3414108 -0.3526130 -2.6701686 -0.4188952 0.4228990 -0.3289147 -1.8540946 23 O -3.2003643 -0.0000000 -0.0762952 0.0000000 -1.3537109 0.0000000 -0.1559803 -0.0000000 -1.3809420 24 O -1.7165728 0.2888852 -0.3414108 0.3526130 -2.6701686 -0.4188952 -0.4228990 -0.3289147 -1.8540946 25 O -3.2003643 -0.0000000 0.0762952 0.0000000 -1.3537109 0.0000000 0.1559803 -0.0000000 -1.3809420 26 O -1.9085100 -0.0000000 -0.5347015 0.0000000 -1.3099022 0.0000000 -0.6187480 -0.0000000 -2.4295344 27 O -1.7165728 0.2888852 0.3414108 0.3526130 -2.6701686 0.4188952 0.4228990 0.3289147 -1.8540946 28 O -1.7165728 0.2888852 -0.3414108 0.3526130 -2.6701686 -0.4188952 -0.4228990 -0.3289147 -1.8540946 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.062 Solver_block: 200 / 480 - Time: 3.083 Solver_block: 300 / 480 - Time: 3.086 Solver_block: 400 / 480 - Time: 3.094 Solver_block: 480 / 480 - Time: 2.499 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.875 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 12:18:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:18:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.617134090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.562834770000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.313055460000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 4 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 5 Sm 0.27851924576117 0.25000000000000 0.50330043184195 150.360 6 Sm 0.72148075423883 0.75000000000000 0.49669956815805 150.360 7 Sm 0.77851924576117 0.25000000000000 0.99669956815805 150.360 8 Sm 0.22148075423883 0.75000000000000 0.00330043184195 150.360 9 Ge 0.90421830835230 0.75000000000000 0.05764334802716 72.640 10 Ge 0.59578169164770 0.25000000000000 0.55764334802716 72.640 11 Ge 0.09578169164770 0.25000000000000 0.94235665197284 72.640 12 Ge 0.40421830835230 0.75000000000000 0.44235665197284 72.640 13 O 0.32851739680633 0.54459333459541 0.29204877351784 15.999 14 O 0.67148260319367 0.45540666540459 0.70795122648216 15.999 15 O 0.17148260319367 0.04459333459541 0.79204877351784 15.999 16 O 0.60865338132027 0.25000000000000 0.23192620861848 15.999 17 O 0.89134661867973 0.75000000000000 0.73192620861848 15.999 18 O 0.39134661867973 0.75000000000000 0.76807379138152 15.999 19 O 0.54395721587466 0.75000000000000 0.31885629678015 15.999 20 O 0.04395721587466 0.75000000000000 0.18114370321985 15.999 21 O 0.17148260319367 0.45540666540459 0.79204877351784 15.999 22 O 0.82851739680633 0.54459333459541 0.20795122648216 15.999 23 O 0.45604278412534 0.25000000000000 0.68114370321985 15.999 24 O 0.32851739680633 0.95540666540459 0.29204877351784 15.999 25 O 0.95604278412534 0.25000000000000 0.81885629678015 15.999 26 O 0.10865338132027 0.25000000000000 0.26807379138152 15.999 27 O 0.82851739680633 0.95540666540459 0.20795122648216 15.999 28 O 0.67148260319367 0.04459333459541 0.70795122648216 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.617134090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.125669540000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.626110920000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 1 2 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 1 4 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 1 5 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 5 6 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 5 7 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 5 8 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 5 9 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 9 10 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 9 11 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 9 12 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 9 13 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 13 14 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 13 15 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 13 16 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 13 17 Sm 0.27851924576117 0.12500000000000 0.25165021592097 150.360 > 17 18 Sm 0.27851924576117 0.62500000000000 0.25165021592097 150.360 > 17 19 Sm 0.27851924576117 0.12500000000000 0.75165021592097 150.360 > 17 20 Sm 0.27851924576117 0.62500000000000 0.75165021592097 150.360 > 17 21 Sm 0.72148075423883 0.37500000000000 0.24834978407903 150.360 > 21 22 Sm 0.72148075423883 0.87500000000000 0.24834978407903 150.360 > 21 23 Sm 0.72148075423883 0.37500000000000 0.74834978407903 150.360 > 21 24 Sm 0.72148075423883 0.87500000000000 0.74834978407903 150.360 > 21 25 Sm 0.77851924576117 0.12500000000000 0.49834978407903 150.360 > 25 26 Sm 0.77851924576117 0.62500000000000 0.49834978407903 150.360 > 25 27 Sm 0.77851924576117 0.12500000000000 0.99834978407903 150.360 > 25 28 Sm 0.77851924576117 0.62500000000000 0.99834978407903 150.360 > 25 29 Sm 0.22148075423883 0.37500000000000 0.00165021592097 150.360 > 29 30 Sm 0.22148075423883 0.87500000000000 0.00165021592097 150.360 > 29 31 Sm 0.22148075423883 0.37500000000000 0.50165021592097 150.360 > 29 32 Sm 0.22148075423883 0.87500000000000 0.50165021592097 150.360 > 29 33 Ge 0.90421830835230 0.37500000000000 0.02882167401358 72.640 > 33 34 Ge 0.90421830835230 0.87500000000000 0.02882167401358 72.640 > 33 35 Ge 0.90421830835230 0.37500000000000 0.52882167401358 72.640 > 33 36 Ge 0.90421830835230 0.87500000000000 0.52882167401358 72.640 > 33 37 Ge 0.59578169164770 0.12500000000000 0.27882167401358 72.640 > 37 38 Ge 0.59578169164770 0.62500000000000 0.27882167401358 72.640 > 37 39 Ge 0.59578169164770 0.12500000000000 0.77882167401358 72.640 > 37 40 Ge 0.59578169164770 0.62500000000000 0.77882167401358 72.640 > 37 41 Ge 0.09578169164770 0.12500000000000 0.47117832598642 72.640 > 41 42 Ge 0.09578169164770 0.62500000000000 0.47117832598642 72.640 > 41 43 Ge 0.09578169164770 0.12500000000000 0.97117832598642 72.640 > 41 44 Ge 0.09578169164770 0.62500000000000 0.97117832598642 72.640 > 41 45 Ge 0.40421830835230 0.37500000000000 0.22117832598642 72.640 > 45 46 Ge 0.40421830835230 0.87500000000000 0.22117832598642 72.640 > 45 47 Ge 0.40421830835230 0.37500000000000 0.72117832598642 72.640 > 45 48 Ge 0.40421830835230 0.87500000000000 0.72117832598642 72.640 > 45 49 O 0.32851739680633 0.27229666729771 0.14602438675892 15.999 > 49 50 O 0.32851739680633 0.77229666729770 0.14602438675892 15.999 > 49 51 O 0.32851739680633 0.27229666729771 0.64602438675892 15.999 > 49 52 O 0.32851739680633 0.77229666729770 0.64602438675892 15.999 > 49 53 O 0.67148260319367 0.22770333270230 0.35397561324108 15.999 > 53 54 O 0.67148260319367 0.72770333270230 0.35397561324108 15.999 > 53 55 O 0.67148260319367 0.22770333270230 0.85397561324108 15.999 > 53 56 O 0.67148260319367 0.72770333270230 0.85397561324108 15.999 > 53 57 O 0.17148260319367 0.02229666729770 0.39602438675892 15.999 > 57 58 O 0.17148260319367 0.52229666729770 0.39602438675892 15.999 > 57 59 O 0.17148260319367 0.02229666729770 0.89602438675892 15.999 > 57 60 O 0.17148260319367 0.52229666729770 0.89602438675892 15.999 > 57 61 O 0.60865338132027 0.12500000000000 0.11596310430924 15.999 > 61 62 O 0.60865338132027 0.62500000000000 0.11596310430924 15.999 > 61 63 O 0.60865338132027 0.12500000000000 0.61596310430924 15.999 > 61 64 O 0.60865338132027 0.62500000000000 0.61596310430924 15.999 > 61 65 O 0.89134661867973 0.37500000000000 0.36596310430924 15.999 > 65 66 O 0.89134661867973 0.87500000000000 0.36596310430924 15.999 > 65 67 O 0.89134661867973 0.37500000000000 0.86596310430924 15.999 > 65 68 O 0.89134661867973 0.87500000000000 0.86596310430924 15.999 > 65 69 O 0.39134661867973 0.37500000000000 0.38403689569076 15.999 > 69 70 O 0.39134661867973 0.87500000000000 0.38403689569076 15.999 > 69 71 O 0.39134661867973 0.37500000000000 0.88403689569076 15.999 > 69 72 O 0.39134661867973 0.87500000000000 0.88403689569076 15.999 > 69 73 O 0.54395721587466 0.37500000000000 0.15942814839007 15.999 > 73 74 O 0.54395721587466 0.87500000000000 0.15942814839007 15.999 > 73 75 O 0.54395721587466 0.37500000000000 0.65942814839007 15.999 > 73 76 O 0.54395721587466 0.87500000000000 0.65942814839007 15.999 > 73 77 O 0.04395721587466 0.37500000000000 0.09057185160993 15.999 > 77 78 O 0.04395721587466 0.87500000000000 0.09057185160993 15.999 > 77 79 O 0.04395721587466 0.37500000000000 0.59057185160993 15.999 > 77 80 O 0.04395721587466 0.87500000000000 0.59057185160993 15.999 > 77 81 O 0.17148260319367 0.22770333270230 0.39602438675892 15.999 > 81 82 O 0.17148260319367 0.72770333270230 0.39602438675892 15.999 > 81 83 O 0.17148260319367 0.22770333270230 0.89602438675892 15.999 > 81 84 O 0.17148260319367 0.72770333270230 0.89602438675892 15.999 > 81 85 O 0.82851739680633 0.27229666729771 0.10397561324108 15.999 > 85 86 O 0.82851739680633 0.77229666729770 0.10397561324108 15.999 > 85 87 O 0.82851739680633 0.27229666729771 0.60397561324108 15.999 > 85 88 O 0.82851739680633 0.77229666729770 0.60397561324108 15.999 > 85 89 O 0.45604278412534 0.12500000000000 0.34057185160993 15.999 > 89 90 O 0.45604278412534 0.62500000000000 0.34057185160993 15.999 > 89 91 O 0.45604278412534 0.12500000000000 0.84057185160993 15.999 > 89 92 O 0.45604278412534 0.62500000000000 0.84057185160993 15.999 > 89 93 O 0.32851739680633 0.47770333270229 0.14602438675892 15.999 > 93 94 O 0.32851739680633 0.97770333270230 0.14602438675892 15.999 > 93 95 O 0.32851739680633 0.47770333270229 0.64602438675892 15.999 > 93 96 O 0.32851739680633 0.97770333270230 0.64602438675892 15.999 > 93 97 O 0.95604278412534 0.12500000000000 0.40942814839007 15.999 > 97 98 O 0.95604278412534 0.62500000000000 0.40942814839007 15.999 > 97 99 O 0.95604278412534 0.12500000000000 0.90942814839007 15.999 > 97 100 O 0.95604278412534 0.62500000000000 0.90942814839007 15.999 > 97 101 O 0.10865338132027 0.12500000000000 0.13403689569076 15.999 > 101 102 O 0.10865338132027 0.62500000000000 0.13403689569076 15.999 > 101 103 O 0.10865338132027 0.12500000000000 0.63403689569076 15.999 > 101 104 O 0.10865338132027 0.62500000000000 0.63403689569076 15.999 > 101 105 O 0.82851739680633 0.47770333270229 0.10397561324108 15.999 > 105 106 O 0.82851739680633 0.97770333270230 0.10397561324108 15.999 > 105 107 O 0.82851739680633 0.47770333270229 0.60397561324108 15.999 > 105 108 O 0.82851739680633 0.97770333270230 0.60397561324108 15.999 > 105 109 O 0.67148260319367 0.02229666729770 0.35397561324108 15.999 > 109 110 O 0.67148260319367 0.52229666729770 0.35397561324108 15.999 > 109 111 O 0.67148260319367 0.02229666729770 0.85397561324108 15.999 > 109 112 O 0.67148260319367 0.52229666729770 0.85397561324108 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4522501 0.0000000 0.0000000 0.0000000 3.3132733 0.0000000 0.0000000 0.0000000 3.2311161 -------------------------- Born effective charges -------------------------- 1 Na 1.0510764 -0.1693524 -0.0020167 -0.1163339 0.9920305 -0.0628490 -0.0119922 -0.0396978 1.2057051 2 Na 1.0510764 -0.1693524 0.0020167 -0.1163339 0.9920305 0.0628490 0.0119922 0.0396978 1.2057051 3 Na 1.0510764 0.1693524 -0.0020167 0.1163339 0.9920305 0.0628490 -0.0119922 0.0396978 1.2057051 4 Na 1.0510764 0.1693524 0.0020167 0.1163339 0.9920305 -0.0628490 0.0119922 -0.0396978 1.2057051 5 Sm 4.1637101 -0.0000000 0.1425367 0.0000000 4.0765091 0.0000000 0.0687585 -0.0000000 3.3862536 6 Sm 4.1637101 -0.0000000 0.1425367 0.0000000 4.0765091 0.0000000 0.0687585 -0.0000000 3.3862536 7 Sm 4.1637101 -0.0000000 -0.1425367 0.0000000 4.0765091 0.0000000 -0.0687585 -0.0000000 3.3862536 8 Sm 4.1637101 -0.0000000 -0.1425367 0.0000000 4.0765091 0.0000000 -0.0687585 -0.0000000 3.3862536 9 Ge 3.3272335 -0.0000000 0.1957763 0.0000000 2.9354107 0.0000000 -0.1600164 -0.0000000 2.9267070 10 Ge 3.3272335 -0.0000000 -0.1957763 0.0000000 2.9354107 0.0000000 0.1600164 -0.0000000 2.9267070 11 Ge 3.3272335 -0.0000000 0.1957763 0.0000000 2.9354107 0.0000000 -0.1600164 -0.0000000 2.9267070 12 Ge 3.3272335 -0.0000000 -0.1957763 0.0000000 2.9354107 0.0000000 0.1600164 -0.0000000 2.9267070 13 O -1.7165728 -0.2888852 -0.3414108 -0.3526130 -2.6701686 0.4188952 -0.4228990 0.3289147 -1.8540946 14 O -1.7165728 -0.2888852 -0.3414108 -0.3526130 -2.6701686 0.4188952 -0.4228990 0.3289147 -1.8540946 15 O -1.7165728 0.2888852 0.3414108 0.3526130 -2.6701686 0.4188952 0.4228990 0.3289147 -1.8540946 16 O -1.9085100 -0.0000000 0.5347015 0.0000000 -1.3099022 0.0000000 0.6187480 -0.0000000 -2.4295344 17 O -1.9085100 -0.0000000 -0.5347015 0.0000000 -1.3099022 0.0000000 -0.6187480 -0.0000000 -2.4295344 18 O -1.9085100 -0.0000000 0.5347015 0.0000000 -1.3099022 0.0000000 0.6187480 -0.0000000 -2.4295344 19 O -3.2003643 -0.0000000 -0.0762952 0.0000000 -1.3537109 0.0000000 -0.1559803 -0.0000000 -1.3809420 20 O -3.2003643 -0.0000000 0.0762952 0.0000000 -1.3537109 0.0000000 0.1559803 -0.0000000 -1.3809420 21 O -1.7165728 -0.2888852 0.3414108 -0.3526130 -2.6701686 -0.4188952 0.4228990 -0.3289147 -1.8540946 22 O -1.7165728 -0.2888852 0.3414108 -0.3526130 -2.6701686 -0.4188952 0.4228990 -0.3289147 -1.8540946 23 O -3.2003643 -0.0000000 -0.0762952 0.0000000 -1.3537109 0.0000000 -0.1559803 -0.0000000 -1.3809420 24 O -1.7165728 0.2888852 -0.3414108 0.3526130 -2.6701686 -0.4188952 -0.4228990 -0.3289147 -1.8540946 25 O -3.2003643 -0.0000000 0.0762952 0.0000000 -1.3537109 0.0000000 0.1559803 -0.0000000 -1.3809420 26 O -1.9085100 -0.0000000 -0.5347015 0.0000000 -1.3099022 0.0000000 -0.6187480 -0.0000000 -2.4295344 27 O -1.7165728 0.2888852 0.3414108 0.3526130 -2.6701686 0.4188952 0.4228990 0.3289147 -1.8540946 28 O -1.7165728 0.2888852 -0.3414108 0.3526130 -2.6701686 -0.4188952 -0.4228990 -0.3289147 -1.8540946 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yxy) 0.00000003 (yxy) 0.00000003 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) 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 12:18:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:18:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.617134090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.562834770000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.313055460000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 4 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 5 Sm 0.27851924576117 0.25000000000000 0.50330043184195 150.360 6 Sm 0.72148075423883 0.75000000000000 0.49669956815805 150.360 7 Sm 0.77851924576117 0.25000000000000 0.99669956815805 150.360 8 Sm 0.22148075423883 0.75000000000000 0.00330043184195 150.360 9 Ge 0.90421830835230 0.75000000000000 0.05764334802716 72.640 10 Ge 0.59578169164770 0.25000000000000 0.55764334802716 72.640 11 Ge 0.09578169164770 0.25000000000000 0.94235665197284 72.640 12 Ge 0.40421830835230 0.75000000000000 0.44235665197284 72.640 13 O 0.32851739680633 0.54459333459541 0.29204877351784 15.999 14 O 0.67148260319367 0.45540666540459 0.70795122648216 15.999 15 O 0.17148260319367 0.04459333459541 0.79204877351784 15.999 16 O 0.60865338132027 0.25000000000000 0.23192620861848 15.999 17 O 0.89134661867973 0.75000000000000 0.73192620861848 15.999 18 O 0.39134661867973 0.75000000000000 0.76807379138152 15.999 19 O 0.54395721587466 0.75000000000000 0.31885629678015 15.999 20 O 0.04395721587466 0.75000000000000 0.18114370321985 15.999 21 O 0.17148260319367 0.45540666540459 0.79204877351784 15.999 22 O 0.82851739680633 0.54459333459541 0.20795122648216 15.999 23 O 0.45604278412534 0.25000000000000 0.68114370321985 15.999 24 O 0.32851739680633 0.95540666540459 0.29204877351784 15.999 25 O 0.95604278412534 0.25000000000000 0.81885629678015 15.999 26 O 0.10865338132027 0.25000000000000 0.26807379138152 15.999 27 O 0.82851739680633 0.95540666540459 0.20795122648216 15.999 28 O 0.67148260319367 0.04459333459541 0.70795122648216 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.617134090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.125669540000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.626110920000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 1 2 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 1 4 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 1 5 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 5 6 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 5 7 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 5 8 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 5 9 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 9 10 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 9 11 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 9 12 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 9 13 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 13 14 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 13 15 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 13 16 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 13 17 Sm 0.27851924576117 0.12500000000000 0.25165021592097 150.360 > 17 18 Sm 0.27851924576117 0.62500000000000 0.25165021592097 150.360 > 17 19 Sm 0.27851924576117 0.12500000000000 0.75165021592097 150.360 > 17 20 Sm 0.27851924576117 0.62500000000000 0.75165021592097 150.360 > 17 21 Sm 0.72148075423883 0.37500000000000 0.24834978407903 150.360 > 21 22 Sm 0.72148075423883 0.87500000000000 0.24834978407903 150.360 > 21 23 Sm 0.72148075423883 0.37500000000000 0.74834978407903 150.360 > 21 24 Sm 0.72148075423883 0.87500000000000 0.74834978407903 150.360 > 21 25 Sm 0.77851924576117 0.12500000000000 0.49834978407903 150.360 > 25 26 Sm 0.77851924576117 0.62500000000000 0.49834978407903 150.360 > 25 27 Sm 0.77851924576117 0.12500000000000 0.99834978407903 150.360 > 25 28 Sm 0.77851924576117 0.62500000000000 0.99834978407903 150.360 > 25 29 Sm 0.22148075423883 0.37500000000000 0.00165021592097 150.360 > 29 30 Sm 0.22148075423883 0.87500000000000 0.00165021592097 150.360 > 29 31 Sm 0.22148075423883 0.37500000000000 0.50165021592097 150.360 > 29 32 Sm 0.22148075423883 0.87500000000000 0.50165021592097 150.360 > 29 33 Ge 0.90421830835230 0.37500000000000 0.02882167401358 72.640 > 33 34 Ge 0.90421830835230 0.87500000000000 0.02882167401358 72.640 > 33 35 Ge 0.90421830835230 0.37500000000000 0.52882167401358 72.640 > 33 36 Ge 0.90421830835230 0.87500000000000 0.52882167401358 72.640 > 33 37 Ge 0.59578169164770 0.12500000000000 0.27882167401358 72.640 > 37 38 Ge 0.59578169164770 0.62500000000000 0.27882167401358 72.640 > 37 39 Ge 0.59578169164770 0.12500000000000 0.77882167401358 72.640 > 37 40 Ge 0.59578169164770 0.62500000000000 0.77882167401358 72.640 > 37 41 Ge 0.09578169164770 0.12500000000000 0.47117832598642 72.640 > 41 42 Ge 0.09578169164770 0.62500000000000 0.47117832598642 72.640 > 41 43 Ge 0.09578169164770 0.12500000000000 0.97117832598642 72.640 > 41 44 Ge 0.09578169164770 0.62500000000000 0.97117832598642 72.640 > 41 45 Ge 0.40421830835230 0.37500000000000 0.22117832598642 72.640 > 45 46 Ge 0.40421830835230 0.87500000000000 0.22117832598642 72.640 > 45 47 Ge 0.40421830835230 0.37500000000000 0.72117832598642 72.640 > 45 48 Ge 0.40421830835230 0.87500000000000 0.72117832598642 72.640 > 45 49 O 0.32851739680633 0.27229666729771 0.14602438675892 15.999 > 49 50 O 0.32851739680633 0.77229666729770 0.14602438675892 15.999 > 49 51 O 0.32851739680633 0.27229666729771 0.64602438675892 15.999 > 49 52 O 0.32851739680633 0.77229666729770 0.64602438675892 15.999 > 49 53 O 0.67148260319367 0.22770333270230 0.35397561324108 15.999 > 53 54 O 0.67148260319367 0.72770333270230 0.35397561324108 15.999 > 53 55 O 0.67148260319367 0.22770333270230 0.85397561324108 15.999 > 53 56 O 0.67148260319367 0.72770333270230 0.85397561324108 15.999 > 53 57 O 0.17148260319367 0.02229666729770 0.39602438675892 15.999 > 57 58 O 0.17148260319367 0.52229666729770 0.39602438675892 15.999 > 57 59 O 0.17148260319367 0.02229666729770 0.89602438675892 15.999 > 57 60 O 0.17148260319367 0.52229666729770 0.89602438675892 15.999 > 57 61 O 0.60865338132027 0.12500000000000 0.11596310430924 15.999 > 61 62 O 0.60865338132027 0.62500000000000 0.11596310430924 15.999 > 61 63 O 0.60865338132027 0.12500000000000 0.61596310430924 15.999 > 61 64 O 0.60865338132027 0.62500000000000 0.61596310430924 15.999 > 61 65 O 0.89134661867973 0.37500000000000 0.36596310430924 15.999 > 65 66 O 0.89134661867973 0.87500000000000 0.36596310430924 15.999 > 65 67 O 0.89134661867973 0.37500000000000 0.86596310430924 15.999 > 65 68 O 0.89134661867973 0.87500000000000 0.86596310430924 15.999 > 65 69 O 0.39134661867973 0.37500000000000 0.38403689569076 15.999 > 69 70 O 0.39134661867973 0.87500000000000 0.38403689569076 15.999 > 69 71 O 0.39134661867973 0.37500000000000 0.88403689569076 15.999 > 69 72 O 0.39134661867973 0.87500000000000 0.88403689569076 15.999 > 69 73 O 0.54395721587466 0.37500000000000 0.15942814839007 15.999 > 73 74 O 0.54395721587466 0.87500000000000 0.15942814839007 15.999 > 73 75 O 0.54395721587466 0.37500000000000 0.65942814839007 15.999 > 73 76 O 0.54395721587466 0.87500000000000 0.65942814839007 15.999 > 73 77 O 0.04395721587466 0.37500000000000 0.09057185160993 15.999 > 77 78 O 0.04395721587466 0.87500000000000 0.09057185160993 15.999 > 77 79 O 0.04395721587466 0.37500000000000 0.59057185160993 15.999 > 77 80 O 0.04395721587466 0.87500000000000 0.59057185160993 15.999 > 77 81 O 0.17148260319367 0.22770333270230 0.39602438675892 15.999 > 81 82 O 0.17148260319367 0.72770333270230 0.39602438675892 15.999 > 81 83 O 0.17148260319367 0.22770333270230 0.89602438675892 15.999 > 81 84 O 0.17148260319367 0.72770333270230 0.89602438675892 15.999 > 81 85 O 0.82851739680633 0.27229666729771 0.10397561324108 15.999 > 85 86 O 0.82851739680633 0.77229666729770 0.10397561324108 15.999 > 85 87 O 0.82851739680633 0.27229666729771 0.60397561324108 15.999 > 85 88 O 0.82851739680633 0.77229666729770 0.60397561324108 15.999 > 85 89 O 0.45604278412534 0.12500000000000 0.34057185160993 15.999 > 89 90 O 0.45604278412534 0.62500000000000 0.34057185160993 15.999 > 89 91 O 0.45604278412534 0.12500000000000 0.84057185160993 15.999 > 89 92 O 0.45604278412534 0.62500000000000 0.84057185160993 15.999 > 89 93 O 0.32851739680633 0.47770333270229 0.14602438675892 15.999 > 93 94 O 0.32851739680633 0.97770333270230 0.14602438675892 15.999 > 93 95 O 0.32851739680633 0.47770333270229 0.64602438675892 15.999 > 93 96 O 0.32851739680633 0.97770333270230 0.64602438675892 15.999 > 93 97 O 0.95604278412534 0.12500000000000 0.40942814839007 15.999 > 97 98 O 0.95604278412534 0.62500000000000 0.40942814839007 15.999 > 97 99 O 0.95604278412534 0.12500000000000 0.90942814839007 15.999 > 97 100 O 0.95604278412534 0.62500000000000 0.90942814839007 15.999 > 97 101 O 0.10865338132027 0.12500000000000 0.13403689569076 15.999 > 101 102 O 0.10865338132027 0.62500000000000 0.13403689569076 15.999 > 101 103 O 0.10865338132027 0.12500000000000 0.63403689569076 15.999 > 101 104 O 0.10865338132027 0.62500000000000 0.63403689569076 15.999 > 101 105 O 0.82851739680633 0.47770333270229 0.10397561324108 15.999 > 105 106 O 0.82851739680633 0.97770333270230 0.10397561324108 15.999 > 105 107 O 0.82851739680633 0.47770333270229 0.60397561324108 15.999 > 105 108 O 0.82851739680633 0.97770333270230 0.60397561324108 15.999 > 105 109 O 0.67148260319367 0.02229666729770 0.35397561324108 15.999 > 109 110 O 0.67148260319367 0.52229666729770 0.35397561324108 15.999 > 109 111 O 0.67148260319367 0.02229666729770 0.85397561324108 15.999 > 109 112 O 0.67148260319367 0.52229666729770 0.85397561324108 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4522501 0.0000000 0.0000000 0.0000000 3.3132733 0.0000000 0.0000000 0.0000000 3.2311161 -------------------------- Born effective charges -------------------------- 1 Na 1.0510764 -0.1693524 -0.0020167 -0.1163339 0.9920305 -0.0628490 -0.0119922 -0.0396978 1.2057051 2 Na 1.0510764 -0.1693524 0.0020167 -0.1163339 0.9920305 0.0628490 0.0119922 0.0396978 1.2057051 3 Na 1.0510764 0.1693524 -0.0020167 0.1163339 0.9920305 0.0628490 -0.0119922 0.0396978 1.2057051 4 Na 1.0510764 0.1693524 0.0020167 0.1163339 0.9920305 -0.0628490 0.0119922 -0.0396978 1.2057051 5 Sm 4.1637101 -0.0000000 0.1425367 0.0000000 4.0765091 0.0000000 0.0687585 -0.0000000 3.3862536 6 Sm 4.1637101 -0.0000000 0.1425367 0.0000000 4.0765091 0.0000000 0.0687585 -0.0000000 3.3862536 7 Sm 4.1637101 -0.0000000 -0.1425367 0.0000000 4.0765091 0.0000000 -0.0687585 -0.0000000 3.3862536 8 Sm 4.1637101 -0.0000000 -0.1425367 0.0000000 4.0765091 0.0000000 -0.0687585 -0.0000000 3.3862536 9 Ge 3.3272335 -0.0000000 0.1957763 0.0000000 2.9354107 0.0000000 -0.1600164 -0.0000000 2.9267070 10 Ge 3.3272335 -0.0000000 -0.1957763 0.0000000 2.9354107 0.0000000 0.1600164 -0.0000000 2.9267070 11 Ge 3.3272335 -0.0000000 0.1957763 0.0000000 2.9354107 0.0000000 -0.1600164 -0.0000000 2.9267070 12 Ge 3.3272335 -0.0000000 -0.1957763 0.0000000 2.9354107 0.0000000 0.1600164 -0.0000000 2.9267070 13 O -1.7165728 -0.2888852 -0.3414108 -0.3526130 -2.6701686 0.4188952 -0.4228990 0.3289147 -1.8540946 14 O -1.7165728 -0.2888852 -0.3414108 -0.3526130 -2.6701686 0.4188952 -0.4228990 0.3289147 -1.8540946 15 O -1.7165728 0.2888852 0.3414108 0.3526130 -2.6701686 0.4188952 0.4228990 0.3289147 -1.8540946 16 O -1.9085100 -0.0000000 0.5347015 0.0000000 -1.3099022 0.0000000 0.6187480 -0.0000000 -2.4295344 17 O -1.9085100 -0.0000000 -0.5347015 0.0000000 -1.3099022 0.0000000 -0.6187480 -0.0000000 -2.4295344 18 O -1.9085100 -0.0000000 0.5347015 0.0000000 -1.3099022 0.0000000 0.6187480 -0.0000000 -2.4295344 19 O -3.2003643 -0.0000000 -0.0762952 0.0000000 -1.3537109 0.0000000 -0.1559803 -0.0000000 -1.3809420 20 O -3.2003643 -0.0000000 0.0762952 0.0000000 -1.3537109 0.0000000 0.1559803 -0.0000000 -1.3809420 21 O -1.7165728 -0.2888852 0.3414108 -0.3526130 -2.6701686 -0.4188952 0.4228990 -0.3289147 -1.8540946 22 O -1.7165728 -0.2888852 0.3414108 -0.3526130 -2.6701686 -0.4188952 0.4228990 -0.3289147 -1.8540946 23 O -3.2003643 -0.0000000 -0.0762952 0.0000000 -1.3537109 0.0000000 -0.1559803 -0.0000000 -1.3809420 24 O -1.7165728 0.2888852 -0.3414108 0.3526130 -2.6701686 -0.4188952 -0.4228990 -0.3289147 -1.8540946 25 O -3.2003643 -0.0000000 0.0762952 0.0000000 -1.3537109 0.0000000 0.1559803 -0.0000000 -1.3809420 26 O -1.9085100 -0.0000000 -0.5347015 0.0000000 -1.3099022 0.0000000 -0.6187480 -0.0000000 -2.4295344 27 O -1.7165728 0.2888852 0.3414108 0.3526130 -2.6701686 0.4188952 0.4228990 0.3289147 -1.8540946 28 O -1.7165728 0.2888852 -0.3414108 0.3526130 -2.6701686 -0.4188952 -0.4228990 -0.3289147 -1.8540946 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yxy) 0.00000003 (yxy) 0.00000003 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 4 8 9 ] 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: 0.56, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.534 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 11.748 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 11.967 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.160 ( 0.000 0.000 0.000) 0.000 14.679 ( 0.000 0.000 0.000) 0.000 15.573 ( 0.000 0.000 0.000) 0.000 18.402 ( 0.000 0.000 0.000) 0.000 18.425 ( 0.000 0.000 0.000) 0.000 18.568 ( 0.000 0.000 0.000) 0.000 18.579 ( 0.000 0.000 0.000) 0.000 20.209 ( 0.000 0.000 0.000) 0.000 20.254 ( 0.000 0.000 0.000) 0.000 20.972 ( 0.000 0.000 0.000) 0.000 21.008 ( 0.000 0.000 0.000) 0.000 21.751 ( 0.000 0.000 0.000) 0.000 21.966 ( 0.000 0.000 0.000) 0.000 22.231 ( 0.000 0.000 0.000) 0.000 22.397 ( 0.000 0.000 0.000) 0.000 22.618 ( 0.000 0.000 0.000) 0.000 22.632 ( 0.000 0.000 0.000) 0.000 22.961 ( 0.000 0.000 0.000) 0.000 24.164 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 26.998 0.000 0.000) 26.998 0.647 ( 29.189 0.000 0.000) 29.189 1.200 ( 50.657 0.000 0.000) 50.657 1.544 ( -14.428 0.000 0.000) 14.428 1.770 ( -12.381 0.000 0.000) 12.381 2.526 ( 6.965 0.000 0.000) 6.965 2.900 ( -9.252 0.000 0.000) 9.252 3.047 ( 1.841 0.000 0.000) 1.841 3.117 ( -2.904 0.000 0.000) 2.904 3.273 ( -28.038 0.000 0.000) 28.038 3.356 ( 8.561 0.000 0.000) 8.561 3.432 ( 10.919 0.000 0.000) 10.919 3.684 ( -5.511 0.000 0.000) 5.511 3.764 ( -3.865 0.000 0.000) 3.865 3.789 ( 3.230 0.000 0.000) 3.230 4.034 ( 5.315 0.000 0.000) 5.315 4.057 ( -7.939 0.000 0.000) 7.939 4.400 ( 7.874 0.000 0.000) 7.874 4.408 ( -8.127 0.000 0.000) 8.127 4.583 ( 9.082 0.000 0.000) 9.082 4.732 ( -6.025 0.000 0.000) 6.025 4.843 ( 0.723 0.000 0.000) 0.723 4.857 ( -0.062 0.000 0.000) 0.062 4.929 ( 0.839 0.000 0.000) 0.839 5.035 ( -8.131 0.000 0.000) 8.131 5.043 ( -5.809 0.000 0.000) 5.809 5.347 ( 3.208 0.000 0.000) 3.208 5.425 ( 3.077 0.000 0.000) 3.077 5.516 ( -3.085 0.000 0.000) 3.085 5.528 ( -0.661 0.000 0.000) 0.661 5.832 ( 9.736 0.000 0.000) 9.736 6.045 ( -3.122 0.000 0.000) 3.122 6.345 ( 6.364 0.000 0.000) 6.364 6.618 ( 5.264 0.000 0.000) 5.264 6.621 ( -2.907 0.000 0.000) 2.907 6.901 ( -5.026 0.000 0.000) 5.026 6.936 ( 1.146 0.000 0.000) 1.146 6.965 ( 1.344 0.000 0.000) 1.344 7.143 ( 5.287 0.000 0.000) 5.287 7.581 ( -11.045 0.000 0.000) 11.045 7.775 ( 0.538 0.000 0.000) 0.538 7.787 ( 0.299 0.000 0.000) 0.299 7.973 ( -1.919 0.000 0.000) 1.919 8.017 ( -1.848 0.000 0.000) 1.848 8.265 ( 8.041 0.000 0.000) 8.041 8.450 ( 13.624 0.000 0.000) 13.624 8.547 ( -3.718 0.000 0.000) 3.718 9.121 ( -12.184 0.000 0.000) 12.184 9.124 ( 2.179 0.000 0.000) 2.179 9.245 ( -2.283 0.000 0.000) 2.283 10.314 ( 3.852 0.000 0.000) 3.852 10.341 ( 3.495 0.000 0.000) 3.495 10.579 ( -6.066 0.000 0.000) 6.066 10.604 ( -8.876 0.000 0.000) 8.876 11.050 ( 10.401 0.000 0.000) 10.401 11.199 ( 7.668 0.000 0.000) 7.668 11.497 ( -10.106 0.000 0.000) 10.106 11.603 ( -10.455 0.000 0.000) 10.455 11.920 ( 8.717 0.000 0.000) 8.717 11.995 ( 2.538 0.000 0.000) 2.538 12.069 ( 6.101 0.000 0.000) 6.101 12.207 ( -3.828 0.000 0.000) 3.828 12.245 ( 3.400 0.000 0.000) 3.400 12.598 ( -5.962 0.000 0.000) 5.962 13.115 ( 0.858 0.000 0.000) 0.858 13.153 ( -0.574 0.000 0.000) 0.574 15.530 ( 0.686 0.000 0.000) 0.686 15.566 ( -0.638 0.000 0.000) 0.638 18.406 ( 0.293 0.000 0.000) 0.293 18.422 ( -0.283 0.000 0.000) 0.283 18.570 ( 0.143 0.000 0.000) 0.143 18.578 ( -0.145 0.000 0.000) 0.145 20.217 ( 0.685 0.000 0.000) 0.685 20.249 ( -0.467 0.000 0.000) 0.467 21.023 ( 4.700 0.000 0.000) 4.700 21.388 ( -10.691 0.000 0.000) 10.691 21.889 ( 8.085 0.000 0.000) 8.085 22.176 ( -4.642 0.000 0.000) 4.642 22.412 ( 1.112 0.000 0.000) 1.112 22.451 ( -0.687 0.000 0.000) 0.687 22.685 ( 5.478 0.000 0.000) 5.478 22.923 ( -3.460 0.000 0.000) 3.460 24.166 ( 0.200 0.000 0.000) 0.200 24.180 ( -0.313 0.000 0.000) 0.313 ======================= Grid point 2 (3/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -22.396 0.000 0.000) 22.396 1.140 ( 22.396 0.000 0.000) 22.396 1.234 ( -24.464 0.000 0.000) 24.464 1.234 ( 24.464 0.000 0.000) 24.464 2.398 ( -47.634 0.000 0.000) 47.634 2.398 ( 47.634 0.000 0.000) 47.634 2.701 ( -8.912 0.000 0.000) 8.912 2.701 ( 8.912 0.000 0.000) 8.912 3.084 ( -1.595 0.000 0.000) 1.595 3.084 ( 1.595 0.000 0.000) 1.595 3.535 ( -7.826 0.000 0.000) 7.826 3.535 ( 7.826 0.000 0.000) 7.826 3.662 ( -8.215 0.000 0.000) 8.215 3.662 ( 8.215 0.000 0.000) 8.215 3.898 ( -6.526 0.000 0.000) 6.526 3.898 ( 6.526 0.000 0.000) 6.526 4.196 ( -9.563 0.000 0.000) 9.563 4.196 ( 9.563 0.000 0.000) 9.563 4.570 ( -7.816 0.000 0.000) 7.816 4.570 ( 7.816 0.000 0.000) 7.816 4.819 ( -11.142 0.000 0.000) 11.142 4.819 ( 11.142 0.000 0.000) 11.142 4.855 ( -0.282 0.000 0.000) 0.282 4.855 ( 0.282 0.000 0.000) 0.282 4.961 ( -2.303 0.000 0.000) 2.303 4.961 ( 2.303 0.000 0.000) 2.303 5.427 ( -3.867 0.000 0.000) 3.867 5.427 ( 3.867 0.000 0.000) 3.867 5.496 ( -2.218 0.000 0.000) 2.218 5.496 ( 2.218 0.000 0.000) 2.218 5.968 ( -4.065 0.000 0.000) 4.065 5.968 ( 4.065 0.000 0.000) 4.065 6.511 ( -7.309 0.000 0.000) 7.309 6.511 ( 7.309 0.000 0.000) 7.309 6.761 ( -7.336 0.000 0.000) 7.336 6.761 ( 7.336 0.000 0.000) 7.336 6.964 ( -1.090 0.000 0.000) 1.090 6.964 ( 1.090 0.000 0.000) 1.090 7.331 ( -11.186 0.000 0.000) 11.186 7.331 ( 11.186 0.000 0.000) 11.186 7.787 ( -0.390 0.000 0.000) 0.390 7.787 ( 0.390 0.000 0.000) 0.390 7.973 ( -1.637 0.000 0.000) 1.637 7.973 ( 1.637 0.000 0.000) 1.637 8.432 ( -6.829 0.000 0.000) 6.829 8.432 ( 6.829 0.000 0.000) 6.829 8.792 ( -16.948 0.000 0.000) 16.948 8.792 ( 16.948 0.000 0.000) 16.948 9.184 ( -3.141 0.000 0.000) 3.141 9.184 ( 3.141 0.000 0.000) 3.141 10.432 ( -6.919 0.000 0.000) 6.919 10.432 ( 6.919 0.000 0.000) 6.919 10.444 ( -5.887 0.000 0.000) 5.887 10.444 ( 5.887 0.000 0.000) 5.887 11.276 ( -10.440 0.000 0.000) 10.440 11.276 ( 10.440 0.000 0.000) 10.440 11.389 ( -9.502 0.000 0.000) 9.502 11.389 ( 9.502 0.000 0.000) 9.502 12.064 ( -3.268 0.000 0.000) 3.268 12.064 ( 3.268 0.000 0.000) 3.268 12.090 ( -6.873 0.000 0.000) 6.873 12.090 ( 6.873 0.000 0.000) 6.873 12.423 ( -9.760 0.000 0.000) 9.760 12.423 ( 9.760 0.000 0.000) 9.760 13.136 ( -0.958 0.000 0.000) 0.958 13.136 ( 0.958 0.000 0.000) 0.958 15.548 ( -0.939 0.000 0.000) 0.939 15.548 ( 0.939 0.000 0.000) 0.939 18.414 ( -0.408 0.000 0.000) 0.408 18.414 ( 0.408 0.000 0.000) 0.408 18.574 ( -0.204 0.000 0.000) 0.204 18.574 ( 0.204 0.000 0.000) 0.204 20.235 ( -0.849 0.000 0.000) 0.849 20.235 ( 0.849 0.000 0.000) 0.849 21.171 ( -8.851 0.000 0.000) 8.851 21.171 ( 8.851 0.000 0.000) 8.851 22.050 ( -6.802 0.000 0.000) 6.802 22.050 ( 6.802 0.000 0.000) 6.802 22.435 ( -0.878 0.000 0.000) 0.878 22.435 ( 0.878 0.000 0.000) 0.878 22.818 ( -6.061 0.000 0.000) 6.061 22.818 ( 6.061 0.000 0.000) 6.061 24.172 ( -0.368 0.000 0.000) 0.368 24.172 ( 0.368 0.000 0.000) 0.368 ======================= Grid point 5 (4/75) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 26.181 0.000) 26.181 0.540 ( 0.000 28.066 0.000) 28.066 0.983 ( 0.000 49.954 0.000) 49.954 1.960 ( 0.000 22.749 0.000) 22.749 1.984 ( 0.000 3.457 0.000) 3.457 2.453 ( 0.000 1.564 0.000) 1.564 2.881 ( 0.000 -11.186 0.000) 11.186 2.953 ( 0.000 -6.870 0.000) 6.870 3.075 ( 0.000 -7.687 0.000) 7.687 3.395 ( 0.000 9.091 0.000) 9.091 3.467 ( 0.000 -5.485 0.000) 5.485 3.489 ( 0.000 13.338 0.000) 13.338 3.628 ( 0.000 -8.087 0.000) 8.087 3.802 ( 0.000 3.896 0.000) 3.896 3.910 ( 0.000 -0.628 0.000) 0.628 4.030 ( 0.000 10.683 0.000) 10.683 4.269 ( 0.000 -6.510 0.000) 6.510 4.311 ( 0.000 7.625 0.000) 7.625 4.532 ( 0.000 -10.946 0.000) 10.946 4.688 ( 0.000 -2.779 0.000) 2.779 4.695 ( 0.000 -7.764 0.000) 7.764 4.816 ( 0.000 18.318 0.000) 18.318 4.830 ( 0.000 0.167 0.000) 0.167 4.937 ( 0.000 5.237 0.000) 5.237 4.983 ( 0.000 -12.331 0.000) 12.331 5.103 ( 0.000 -2.146 0.000) 2.146 5.409 ( 0.000 5.057 0.000) 5.057 5.452 ( 0.000 5.791 0.000) 5.791 5.614 ( 0.000 8.176 0.000) 8.176 5.649 ( 0.000 0.445 0.000) 0.445 5.738 ( 0.000 14.114 0.000) 14.114 6.105 ( 0.000 2.557 0.000) 2.557 6.255 ( 0.000 -2.196 0.000) 2.196 6.512 ( 0.000 -4.550 0.000) 4.550 6.613 ( 0.000 -2.195 0.000) 2.195 6.675 ( 0.000 -3.182 0.000) 3.182 6.999 ( 0.000 6.357 0.000) 6.357 7.104 ( 0.000 0.487 0.000) 0.487 7.228 ( 0.000 1.810 0.000) 1.810 7.483 ( 0.000 -5.232 0.000) 5.232 7.732 ( 0.000 -5.416 0.000) 5.416 7.751 ( 0.000 1.796 0.000) 1.796 7.954 ( 0.000 -7.687 0.000) 7.687 7.989 ( 0.000 -3.058 0.000) 3.058 8.210 ( 0.000 -5.888 0.000) 5.888 8.255 ( 0.000 2.400 0.000) 2.400 8.522 ( 0.000 -6.883 0.000) 6.883 8.574 ( 0.000 -3.281 0.000) 3.281 9.274 ( 0.000 0.769 0.000) 0.769 9.545 ( 0.000 1.380 0.000) 1.380 10.327 ( 0.000 -3.659 0.000) 3.659 10.345 ( 0.000 4.232 0.000) 4.232 10.368 ( 0.000 9.160 0.000) 9.160 10.688 ( 0.000 2.781 0.000) 2.781 10.766 ( 0.000 -0.503 0.000) 0.503 10.953 ( 0.000 -14.254 0.000) 14.254 11.706 ( 0.000 1.843 0.000) 1.843 11.760 ( 0.000 1.218 0.000) 1.218 11.862 ( 0.000 -0.825 0.000) 0.825 11.975 ( 0.000 0.777 0.000) 0.777 11.990 ( 0.000 -4.024 0.000) 4.024 12.308 ( 0.000 5.311 0.000) 5.311 12.611 ( 0.000 -5.456 0.000) 5.456 13.055 ( 0.000 -6.435 0.000) 6.435 13.233 ( 0.000 12.649 0.000) 12.649 13.348 ( 0.000 8.590 0.000) 8.590 14.620 ( 0.000 -6.028 0.000) 6.028 15.425 ( 0.000 -14.289 0.000) 14.289 18.514 ( 0.000 9.119 0.000) 9.119 18.573 ( 0.000 16.252 0.000) 16.252 18.651 ( 0.000 7.267 0.000) 7.267 20.158 ( 0.000 -5.308 0.000) 5.308 20.235 ( 0.000 -1.927 0.000) 1.927 20.931 ( 0.000 -4.340 0.000) 4.340 21.020 ( 0.000 1.268 0.000) 1.268 21.365 ( 0.000 -2.582 0.000) 2.582 21.769 ( 0.000 1.741 0.000) 1.741 21.960 ( 0.000 -0.580 0.000) 0.580 22.236 ( 0.000 0.473 0.000) 0.473 22.386 ( 0.000 -1.028 0.000) 1.028 22.617 ( 0.000 -0.084 0.000) 0.084 22.630 ( 0.000 -0.194 0.000) 0.194 22.982 ( 0.000 2.309 0.000) 2.309 24.078 ( 0.000 -8.599 0.000) 8.599 ======================= Grid point 6 (5/75) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 22.488 14.315 0.000) 26.658 0.835 ( 21.686 18.803 0.000) 28.703 1.505 ( 30.203 26.940 0.000) 40.472 1.754 ( -16.338 18.461 0.000) 24.653 1.815 ( -5.146 7.399 0.000) 9.013 2.570 ( 8.223 4.888 0.000) 9.566 2.883 ( -2.378 -4.278 0.000) 4.895 2.978 ( 1.747 -6.707 0.000) 6.930 3.043 ( -2.472 -7.411 0.000) 7.812 3.270 ( -20.811 -0.731 0.000) 20.824 3.351 ( 2.013 4.823 0.000) 5.226 3.572 ( 5.333 8.805 0.000) 10.294 3.702 ( -5.435 -1.814 0.000) 5.729 3.724 ( 0.866 -2.749 0.000) 2.882 3.840 ( -6.921 7.820 0.000) 10.443 3.953 ( 1.634 -2.218 0.000) 2.755 4.216 ( -4.051 9.676 0.000) 10.490 4.314 ( 0.522 -3.169 0.000) 3.212 4.452 ( 2.140 0.649 0.000) 2.237 4.643 ( -4.229 -6.867 0.000) 8.065 4.767 ( 2.506 -7.260 0.000) 7.681 4.811 ( 0.713 14.186 0.000) 14.204 4.888 ( -3.080 -1.495 0.000) 3.424 4.897 ( 2.387 -1.794 0.000) 2.986 4.973 ( -0.546 0.043 0.000) 0.548 5.046 ( -4.746 1.821 0.000) 5.083 5.419 ( 1.814 5.568 0.000) 5.856 5.472 ( 1.462 4.123 0.000) 4.374 5.598 ( -1.070 7.731 0.000) 7.805 5.613 ( -2.826 7.545 0.000) 8.056 5.862 ( 7.211 3.961 0.000) 8.228 6.044 ( -3.618 0.992 0.000) 3.752 6.318 ( 6.000 -2.511 0.000) 6.504 6.565 ( 4.628 -4.975 0.000) 6.795 6.585 ( -2.953 -3.215 0.000) 4.365 6.727 ( 0.754 -8.059 0.000) 8.095 7.029 ( 1.064 5.739 0.000) 5.837 7.091 ( -4.788 5.998 0.000) 7.675 7.147 ( 5.402 0.553 0.000) 5.431 7.558 ( -8.657 -2.641 0.000) 9.051 7.691 ( 2.898 -6.296 0.000) 6.931 7.736 ( 0.257 -5.394 0.000) 5.400 7.957 ( -0.909 -1.433 0.000) 1.697 7.995 ( 0.967 -1.568 0.000) 1.842 8.279 ( 3.370 0.263 0.000) 3.380 8.356 ( 10.340 -8.097 0.000) 13.132 8.493 ( -2.035 -6.350 0.000) 6.668 8.709 ( 3.344 -16.563 0.000) 16.897 9.263 ( -0.711 2.141 0.000) 2.256 9.399 ( -8.771 7.937 0.000) 11.829 10.376 ( 3.245 3.306 0.000) 4.633 10.408 ( 3.575 8.772 0.000) 9.473 10.574 ( 5.540 -5.748 0.000) 7.983 10.604 ( -6.064 2.117 0.000) 6.423 10.774 ( 6.339 -8.539 0.000) 10.634 11.004 ( 2.323 -15.863 0.000) 16.032 11.603 ( -3.168 7.188 0.000) 7.855 11.813 ( -7.314 4.808 0.000) 8.753 11.905 ( 7.151 -0.804 0.000) 7.196 12.012 ( 3.938 1.181 0.000) 4.112 12.031 ( 3.963 -3.395 0.000) 5.218 12.218 ( -6.118 4.120 0.000) 7.376 12.547 ( -5.614 -5.213 0.000) 7.661 12.547 ( -19.614 15.541 0.000) 25.025 13.236 ( 0.191 11.984 0.000) 11.985 13.237 ( -0.492 9.428 0.000) 9.440 15.111 ( 17.665 -26.641 0.000) 31.966 15.404 ( -2.002 -15.360 0.000) 15.490 18.519 ( 0.420 9.012 0.000) 9.022 18.555 ( -1.194 12.125 0.000) 12.184 18.699 ( 4.146 13.733 0.000) 14.345 19.316 ( -41.219 46.689 0.000) 62.280 20.215 ( -0.406 0.980 0.000) 1.061 20.232 ( -0.297 -1.710 0.000) 1.735 20.984 ( 4.881 -4.128 0.000) 6.393 21.356 ( -10.437 -3.307 0.000) 10.948 21.898 ( 7.893 0.950 0.000) 7.950 22.181 ( -4.585 0.555 0.000) 4.618 22.401 ( 0.993 -1.159 0.000) 1.526 22.418 ( 1.257 -3.641 0.000) 3.852 22.688 ( 5.817 0.330 0.000) 5.826 22.942 ( -3.708 2.003 0.000) 4.215 23.579 ( 35.267 -40.464 0.000) 53.676 24.057 ( -2.191 -10.778 0.000) 10.999 ======================= Grid point 7 (6/75) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -10.253 7.190 0.000) 12.523 1.271 ( 10.253 7.190 0.000) 12.523 1.348 ( -10.008 15.685 0.000) 18.606 1.348 ( 10.008 15.685 0.000) 18.606 2.528 ( -40.663 13.600 0.000) 42.876 2.528 ( 40.663 13.600 0.000) 42.876 2.760 ( -6.956 4.480 0.000) 8.274 2.760 ( 6.956 4.480 0.000) 8.274 3.013 ( -1.649 -6.787 0.000) 6.984 3.013 ( 1.649 -6.787 0.000) 6.984 3.500 ( -9.546 -3.747 0.000) 10.255 3.500 ( 9.546 -3.747 0.000) 10.255 3.674 ( -3.947 2.569 0.000) 4.709 3.674 ( 3.947 2.569 0.000) 4.709 3.904 ( -5.254 0.161 0.000) 5.257 3.904 ( 5.254 0.161 0.000) 5.257 4.251 ( -4.906 5.674 0.000) 7.500 4.251 ( 4.906 5.674 0.000) 7.500 4.538 ( -4.978 -3.802 0.000) 6.264 4.538 ( 4.978 -3.802 0.000) 6.264 4.821 ( -2.518 -5.440 0.000) 5.994 4.821 ( 2.518 -5.440 0.000) 5.994 4.886 ( -4.150 4.138 0.000) 5.860 4.886 ( 4.150 4.138 0.000) 5.860 4.965 ( -0.566 5.411 0.000) 5.441 4.965 ( 0.566 5.411 0.000) 5.441 5.473 ( -2.182 3.524 0.000) 4.145 5.473 ( 2.182 3.524 0.000) 4.145 5.576 ( -0.349 8.270 0.000) 8.277 5.576 ( 0.349 8.270 0.000) 8.277 5.968 ( -3.485 0.670 0.000) 3.549 5.968 ( 3.485 0.670 0.000) 3.549 6.476 ( -7.059 -3.257 0.000) 7.774 6.476 ( 7.059 -3.257 0.000) 7.774 6.678 ( -4.766 -6.705 0.000) 8.226 6.678 ( 4.766 -6.705 0.000) 8.226 7.037 ( -0.689 5.153 0.000) 5.199 7.037 ( 0.689 5.153 0.000) 5.199 7.331 ( -10.498 0.197 0.000) 10.500 7.331 ( 10.498 0.197 0.000) 10.500 7.733 ( -0.794 -5.527 0.000) 5.584 7.733 ( 0.794 -5.527 0.000) 5.584 7.974 ( -1.908 0.246 0.000) 1.924 7.974 ( 1.908 0.246 0.000) 1.924 8.381 ( -4.972 -4.820 0.000) 6.925 8.381 ( 4.972 -4.820 0.000) 6.925 8.628 ( -9.676 -13.251 0.000) 16.407 8.628 ( 9.676 -13.251 0.000) 16.407 9.270 ( -2.444 6.458 0.000) 6.905 9.270 ( 2.444 6.458 0.000) 6.905 10.472 ( -5.349 2.660 0.000) 5.973 10.472 ( 5.349 2.660 0.000) 5.973 10.512 ( -5.301 6.796 0.000) 8.619 10.512 ( 5.301 6.796 0.000) 8.619 10.968 ( -6.414 -18.265 0.000) 19.359 10.968 ( 6.414 -18.265 0.000) 19.359 11.634 ( -6.220 11.736 0.000) 13.283 11.634 ( 6.220 11.736 0.000) 13.283 12.018 ( -3.908 -1.513 0.000) 4.190 12.018 ( 3.908 -1.513 0.000) 4.190 12.140 ( -5.606 1.765 0.000) 5.877 12.140 ( 5.606 1.765 0.000) 5.877 12.411 ( -4.449 -1.252 0.000) 4.622 12.411 ( 4.449 -1.252 0.000) 4.622 13.238 ( -0.093 10.367 0.000) 10.368 13.238 ( 0.093 10.367 0.000) 10.368 15.329 ( -5.445 -19.286 0.000) 20.040 15.329 ( 5.445 -19.286 0.000) 20.040 18.532 ( -0.863 9.548 0.000) 9.587 18.532 ( 0.863 9.548 0.000) 9.587 18.845 ( -10.736 25.393 0.000) 27.570 18.845 ( 10.736 25.393 0.000) 27.570 20.222 ( -0.544 -1.055 0.000) 1.187 20.222 ( 0.544 -1.055 0.000) 1.187 21.137 ( -9.107 -3.602 0.000) 9.793 21.137 ( 9.107 -3.602 0.000) 9.793 22.057 ( -6.724 0.732 0.000) 6.763 22.057 ( 6.724 0.732 0.000) 6.763 22.419 ( -0.530 -1.687 0.000) 1.768 22.419 ( 0.530 -1.687 0.000) 1.768 22.829 ( -6.458 1.226 0.000) 6.574 22.829 ( 6.458 1.226 0.000) 6.574 23.961 ( -7.834 -19.309 0.000) 20.838 23.961 ( 7.834 -19.309 0.000) 20.838 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.000 27.934 0.000) 27.934 1.064 ( 0.000 26.806 0.000) 26.806 1.843 ( 0.000 35.437 0.000) 35.437 2.104 ( 0.000 12.297 0.000) 12.297 2.436 ( 0.000 24.159 0.000) 24.159 2.493 ( 0.000 1.794 0.000) 1.794 2.681 ( 0.000 -9.768 0.000) 9.768 2.783 ( 0.000 -9.451 0.000) 9.451 2.879 ( 0.000 -11.695 0.000) 11.695 3.320 ( 0.000 -9.509 0.000) 9.509 3.465 ( 0.000 -8.880 0.000) 8.880 3.610 ( 0.000 12.297 0.000) 12.297 3.681 ( 0.000 5.191 0.000) 5.191 3.890 ( 0.000 4.989 0.000) 4.989 3.932 ( 0.000 3.705 0.000) 3.705 4.232 ( 0.000 1.981 0.000) 1.981 4.258 ( 0.000 12.968 0.000) 12.968 4.308 ( 0.000 -11.116 0.000) 11.116 4.410 ( 0.000 -0.915 0.000) 0.915 4.533 ( 0.000 -8.702 0.000) 8.702 4.612 ( 0.000 -4.491 0.000) 4.491 4.781 ( 0.000 -8.559 0.000) 8.559 4.821 ( 0.000 -1.811 0.000) 1.811 4.953 ( 0.000 0.325 0.000) 0.325 5.140 ( 0.000 8.516 0.000) 8.516 5.225 ( 0.000 19.159 0.000) 19.159 5.506 ( 0.000 5.404 0.000) 5.404 5.592 ( 0.000 8.224 0.000) 8.224 5.692 ( 0.000 4.975 0.000) 4.975 5.797 ( 0.000 9.541 0.000) 9.541 5.984 ( 0.000 10.720 0.000) 10.720 6.200 ( 0.000 7.976 0.000) 7.976 6.209 ( 0.000 -2.154 0.000) 2.154 6.403 ( 0.000 -6.431 0.000) 6.431 6.514 ( 0.000 -7.904 0.000) 7.904 6.638 ( 0.000 -0.428 0.000) 0.428 7.105 ( 0.000 -0.524 0.000) 0.524 7.162 ( 0.000 10.302 0.000) 10.302 7.262 ( 0.000 0.893 0.000) 0.893 7.341 ( 0.000 -9.377 0.000) 9.377 7.576 ( 0.000 -10.655 0.000) 10.655 7.781 ( 0.000 -7.909 0.000) 7.909 7.781 ( 0.000 -0.447 0.000) 0.447 7.917 ( 0.000 -4.098 0.000) 4.098 8.087 ( 0.000 -6.302 0.000) 6.302 8.295 ( 0.000 1.718 0.000) 1.718 8.328 ( 0.000 -13.125 0.000) 13.125 8.492 ( 0.000 -4.936 0.000) 4.936 9.331 ( 0.000 5.942 0.000) 5.942 9.597 ( 0.000 4.364 0.000) 4.364 10.223 ( 0.000 -7.086 0.000) 7.086 10.449 ( 0.000 6.357 0.000) 6.357 10.561 ( 0.000 5.703 0.000) 5.703 10.624 ( 0.000 -15.172 0.000) 15.172 10.752 ( 0.000 3.546 0.000) 3.546 10.754 ( 0.000 -0.797 0.000) 0.797 11.743 ( 0.000 2.131 0.000) 2.131 11.790 ( 0.000 1.786 0.000) 1.786 11.840 ( 0.000 -1.364 0.000) 1.364 11.909 ( 0.000 -4.190 0.000) 4.190 11.995 ( 0.000 1.414 0.000) 1.414 12.427 ( 0.000 6.780 0.000) 6.780 12.469 ( 0.000 -8.977 0.000) 8.977 12.934 ( 0.000 -6.226 0.000) 6.226 13.529 ( 0.000 10.394 0.000) 10.394 13.544 ( 0.000 18.954 0.000) 18.954 14.460 ( 0.000 -10.485 0.000) 10.485 15.090 ( 0.000 -19.534 0.000) 19.534 18.755 ( 0.000 15.658 0.000) 15.658 18.838 ( 0.000 11.729 0.000) 11.729 18.932 ( 0.000 19.061 0.000) 19.061 20.007 ( 0.000 -10.537 0.000) 10.537 20.194 ( 0.000 -1.726 0.000) 1.726 20.807 ( 0.000 -8.668 0.000) 8.668 21.054 ( 0.000 2.293 0.000) 2.293 21.304 ( 0.000 -3.610 0.000) 3.610 21.809 ( 0.000 2.261 0.000) 2.261 21.944 ( 0.000 -1.079 0.000) 1.079 22.249 ( 0.000 0.924 0.000) 0.924 22.361 ( 0.000 -1.598 0.000) 1.598 22.615 ( 0.000 -0.093 0.000) 0.093 22.625 ( 0.000 -0.292 0.000) 0.292 23.051 ( 0.000 5.032 0.000) 5.032 23.862 ( 0.000 -13.319 0.000) 13.319 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 13.084 22.579 0.000) 26.096 1.228 ( 14.603 21.880 0.000) 26.305 1.855 ( -11.699 10.729 0.000) 15.874 2.100 ( -19.421 15.728 0.000) 24.991 2.236 ( 23.369 29.788 0.000) 37.861 2.680 ( 6.156 1.403 0.000) 6.314 2.736 ( 2.876 -10.243 0.000) 10.639 2.831 ( 4.718 -6.001 0.000) 7.633 2.879 ( -0.598 -5.924 0.000) 5.954 3.219 ( -6.389 -4.418 0.000) 7.768 3.518 ( -5.826 10.728 0.000) 12.208 3.582 ( 5.870 -7.517 0.000) 9.538 3.689 ( 0.286 2.578 0.000) 2.593 3.758 ( -12.562 5.270 0.000) 13.623 3.970 ( 1.745 4.151 0.000) 4.503 4.054 ( -9.511 13.086 0.000) 16.177 4.314 ( 1.709 -3.528 0.000) 3.920 4.329 ( 3.782 4.093 0.000) 5.573 4.414 ( 0.292 -1.122 0.000) 1.159 4.500 ( -2.851 -7.784 0.000) 8.290 4.641 ( 2.338 -5.768 0.000) 6.224 4.746 ( -2.284 -6.915 0.000) 7.283 4.831 ( 1.181 -4.429 0.000) 4.584 4.942 ( -1.703 -1.004 0.000) 1.977 5.158 ( 1.182 10.208 0.000) 10.276 5.208 ( -1.306 17.617 0.000) 17.665 5.521 ( 1.302 5.335 0.000) 5.491 5.561 ( -0.857 4.517 0.000) 4.598 5.757 ( 2.093 8.500 0.000) 8.754 5.786 ( -0.871 10.189 0.000) 10.226 5.990 ( 0.830 8.425 0.000) 8.466 6.118 ( -5.525 7.213 0.000) 9.086 6.262 ( 5.123 -3.161 0.000) 6.019 6.454 ( 4.220 -6.082 0.000) 7.402 6.501 ( -2.309 -6.119 0.000) 6.540 6.611 ( -2.006 -3.494 0.000) 4.029 7.092 ( -0.874 -0.643 0.000) 1.085 7.143 ( -4.423 -0.925 0.000) 4.518 7.222 ( 5.242 8.332 0.000) 9.844 7.487 ( 3.823 -5.043 0.000) 6.328 7.579 ( -7.008 -4.488 0.000) 8.322 7.585 ( 0.628 -10.096 0.000) 10.116 7.930 ( 1.899 -1.106 0.000) 2.198 7.958 ( 5.647 -2.806 0.000) 6.306 8.191 ( 8.137 -8.820 0.000) 12.000 8.263 ( -2.138 -1.474 0.000) 2.597 8.306 ( -1.949 -12.480 0.000) 12.631 8.477 ( -2.148 -8.830 0.000) 9.087 9.345 ( 1.513 6.969 0.000) 7.131 9.524 ( -5.625 6.704 0.000) 8.751 10.352 ( 8.131 -10.224 0.000) 13.063 10.498 ( 5.055 4.058 0.000) 6.482 10.563 ( -2.444 -10.333 0.000) 10.618 10.598 ( 0.838 7.005 0.000) 7.055 10.734 ( -1.771 0.286 0.000) 1.794 10.749 ( -1.072 -3.598 0.000) 3.754 11.722 ( 1.047 5.330 0.000) 5.432 11.836 ( -1.097 -0.436 0.000) 1.180 11.906 ( 6.881 0.996 0.000) 6.953 11.961 ( 4.877 -3.708 0.000) 6.127 12.028 ( 3.696 0.486 0.000) 3.728 12.315 ( -9.358 5.689 0.000) 10.952 12.413 ( -4.559 -8.365 0.000) 9.527 12.673 ( -18.374 0.239 0.000) 18.375 13.481 ( -0.555 14.546 0.000) 14.556 13.534 ( -1.005 18.234 0.000) 18.261 14.692 ( 14.186 -18.549 0.000) 23.352 15.054 ( -3.464 -19.999 0.000) 20.297 18.754 ( -0.001 15.201 0.000) 15.201 18.794 ( -2.227 13.308 0.000) 13.493 19.043 ( 8.692 18.570 0.000) 20.503 19.793 ( -22.754 3.337 0.000) 22.997 20.200 ( 0.553 -0.892 0.000) 1.050 20.372 ( -18.307 16.535 0.000) 24.669 20.865 ( 5.399 -8.284 0.000) 9.888 21.264 ( -10.287 -6.295 0.000) 12.060 21.926 ( 7.667 1.969 0.000) 7.916 22.198 ( -4.267 1.294 0.000) 4.459 22.310 ( 7.455 -7.340 0.000) 10.462 22.370 ( 0.497 -2.045 0.000) 2.105 22.698 ( 6.835 0.716 0.000) 6.873 23.002 ( -4.544 4.341 0.000) 6.284 23.028 ( 31.927 -17.572 0.000) 36.443 23.798 ( -6.262 -15.229 0.000) 16.466 ======================= Grid point 12 (9/75) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -12.050 14.374 0.000) 18.757 1.475 ( 12.050 14.374 0.000) 18.757 1.672 ( -15.849 16.892 0.000) 23.163 1.672 ( 15.849 16.892 0.000) 23.163 2.745 ( -5.007 -7.725 0.000) 9.206 2.745 ( 5.007 -7.725 0.000) 9.206 2.770 ( -9.592 -1.860 0.000) 9.771 2.770 ( 9.592 -1.860 0.000) 9.771 2.999 ( -12.544 17.062 0.000) 21.177 2.999 ( 12.544 17.062 0.000) 21.177 3.470 ( -4.440 2.208 0.000) 4.959 3.470 ( 4.440 2.208 0.000) 4.959 3.684 ( -1.213 -2.270 0.000) 2.573 3.684 ( 1.213 -2.270 0.000) 2.573 3.974 ( -0.311 7.929 0.000) 7.935 3.974 ( 0.311 7.929 0.000) 7.935 4.369 ( -1.113 5.191 0.000) 5.309 4.369 ( 1.113 5.191 0.000) 5.309 4.431 ( -2.291 -6.577 0.000) 6.964 4.431 ( 2.291 -6.577 0.000) 6.964 4.696 ( -2.493 -6.470 0.000) 6.933 4.696 ( 2.493 -6.470 0.000) 6.933 4.881 ( -3.271 -3.679 0.000) 4.923 4.881 ( 3.271 -3.679 0.000) 4.923 5.181 ( -1.069 13.889 0.000) 13.930 5.181 ( 1.069 13.889 0.000) 13.930 5.549 ( -0.888 4.075 0.000) 4.170 5.549 ( 0.888 4.075 0.000) 4.170 5.771 ( -0.322 11.027 0.000) 11.032 5.771 ( 0.322 11.027 0.000) 11.032 6.024 ( -2.772 5.790 0.000) 6.420 6.024 ( 2.772 5.790 0.000) 6.420 6.402 ( -6.494 -4.328 0.000) 7.804 6.402 ( 6.494 -4.328 0.000) 7.804 6.550 ( -3.937 -5.968 0.000) 7.149 6.550 ( 3.937 -5.968 0.000) 7.149 7.088 ( -0.902 -0.709 0.000) 1.148 7.088 ( 0.902 -0.709 0.000) 1.148 7.367 ( -7.803 4.329 0.000) 8.923 7.367 ( 7.803 4.329 0.000) 8.923 7.586 ( -1.039 -9.586 0.000) 9.643 7.586 ( 1.039 -9.586 0.000) 9.643 7.989 ( -2.330 1.384 0.000) 2.710 7.989 ( 2.330 1.384 0.000) 2.710 8.257 ( -1.868 -9.167 0.000) 9.356 8.257 ( 1.868 -9.167 0.000) 9.356 8.373 ( -7.460 -11.576 0.000) 13.772 8.373 ( 7.460 -11.576 0.000) 13.772 9.407 ( -4.415 8.366 0.000) 9.460 9.407 ( 4.415 8.366 0.000) 9.460 10.479 ( -4.507 -7.414 0.000) 8.676 10.479 ( 4.507 -7.414 0.000) 8.676 10.620 ( -2.324 2.594 0.000) 3.483 10.620 ( 2.324 2.594 0.000) 3.483 10.704 ( -0.908 -3.255 0.000) 3.379 10.704 ( 0.908 -3.255 0.000) 3.379 11.784 ( -3.554 4.574 0.000) 5.792 11.784 ( 3.554 4.574 0.000) 5.792 12.027 ( -2.985 2.007 0.000) 3.597 12.027 ( 2.985 2.007 0.000) 3.597 12.136 ( -4.423 -1.623 0.000) 4.711 12.136 ( 4.423 -1.623 0.000) 4.711 12.376 ( -5.950 -2.415 0.000) 6.421 12.376 ( 5.950 -2.415 0.000) 6.421 13.503 ( -1.690 16.501 0.000) 16.587 13.503 ( 1.690 16.501 0.000) 16.587 14.933 ( -8.064 -20.836 0.000) 22.342 14.933 ( 8.064 -20.836 0.000) 22.342 18.762 ( -0.820 14.227 0.000) 14.251 18.762 ( 0.820 14.227 0.000) 14.251 19.313 ( -17.339 19.059 0.000) 25.766 19.313 ( 17.339 19.059 0.000) 25.766 20.223 ( -2.045 2.594 0.000) 3.303 20.223 ( 2.045 2.594 0.000) 3.303 21.033 ( -9.881 -7.299 0.000) 12.284 21.033 ( 9.881 -7.299 0.000) 12.284 22.080 ( -6.493 1.839 0.000) 6.749 22.080 ( 6.493 1.839 0.000) 6.749 22.370 ( -0.702 -3.385 0.000) 3.457 22.370 ( 0.702 -3.385 0.000) 3.457 22.865 ( -7.733 2.610 0.000) 8.162 22.865 ( 7.733 2.610 0.000) 8.162 23.563 ( -16.700 -20.085 0.000) 26.121 23.563 ( 16.700 -20.085 0.000) 26.121 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 27.040 0.000) 27.040 1.554 ( 0.000 24.473 0.000) 24.473 2.143 ( 0.000 6.485 0.000) 6.485 2.339 ( 0.000 -6.434 0.000) 6.434 2.398 ( 0.000 -14.916 0.000) 14.916 2.504 ( 0.000 -8.918 0.000) 8.918 2.761 ( 0.000 2.568 0.000) 2.568 2.815 ( 0.000 14.846 0.000) 14.846 2.882 ( 0.000 27.787 0.000) 27.787 3.130 ( 0.000 -9.376 0.000) 9.376 3.292 ( 0.000 -9.226 0.000) 9.226 3.695 ( 0.000 -3.331 0.000) 3.331 3.808 ( 0.000 6.773 0.000) 6.773 3.963 ( 0.000 -4.792 0.000) 4.792 3.993 ( 0.000 6.039 0.000) 6.039 4.159 ( 0.000 -2.914 0.000) 2.914 4.259 ( 0.000 -3.569 0.000) 3.569 4.296 ( 0.000 -6.068 0.000) 6.068 4.426 ( 0.000 1.053 0.000) 1.053 4.506 ( 0.000 11.906 0.000) 11.906 4.554 ( 0.000 -0.776 0.000) 0.776 4.652 ( 0.000 -4.826 0.000) 4.826 4.746 ( 0.000 -6.009 0.000) 6.009 4.904 ( 0.000 -5.473 0.000) 5.473 5.394 ( 0.000 14.701 0.000) 14.701 5.539 ( 0.000 13.089 0.000) 13.089 5.604 ( 0.000 3.803 0.000) 3.803 5.719 ( 0.000 3.781 0.000) 3.781 5.854 ( 0.000 11.303 0.000) 11.303 5.962 ( 0.000 8.332 0.000) 8.332 6.134 ( 0.000 4.824 0.000) 4.824 6.192 ( 0.000 0.635 0.000) 0.635 6.275 ( 0.000 -6.876 0.000) 6.876 6.336 ( 0.000 -10.322 0.000) 10.322 6.404 ( 0.000 12.593 0.000) 12.593 6.653 ( 0.000 1.628 0.000) 1.628 7.092 ( 0.000 -0.192 0.000) 0.192 7.145 ( 0.000 -10.050 0.000) 10.050 7.208 ( 0.000 -7.407 0.000) 7.407 7.320 ( 0.000 -6.706 0.000) 6.706 7.412 ( 0.000 7.296 0.000) 7.296 7.666 ( 0.000 -1.264 0.000) 1.264 7.772 ( 0.000 -2.143 0.000) 2.143 7.841 ( 0.000 -4.585 0.000) 4.585 7.984 ( 0.000 -4.292 0.000) 4.292 8.057 ( 0.000 -13.463 0.000) 13.463 8.322 ( 0.000 1.264 0.000) 1.264 8.404 ( 0.000 -3.887 0.000) 3.887 9.514 ( 0.000 13.256 0.000) 13.256 9.713 ( 0.000 7.692 0.000) 7.692 10.065 ( 0.000 -9.321 0.000) 9.321 10.212 ( 0.000 -21.214 0.000) 21.214 10.572 ( 0.000 6.148 0.000) 6.148 10.730 ( 0.000 -1.951 0.000) 1.951 10.741 ( 0.000 6.526 0.000) 6.526 10.809 ( 0.000 2.024 0.000) 2.024 11.788 ( 0.000 2.469 0.000) 2.469 11.816 ( 0.000 -1.045 0.000) 1.045 11.820 ( 0.000 1.108 0.000) 1.108 11.841 ( 0.000 -2.759 0.000) 2.759 12.036 ( 0.000 3.179 0.000) 3.179 12.288 ( 0.000 -9.451 0.000) 9.451 12.559 ( 0.000 7.020 0.000) 7.020 12.815 ( 0.000 -6.352 0.000) 6.352 13.744 ( 0.000 12.083 0.000) 12.083 13.925 ( 0.000 20.585 0.000) 20.585 14.235 ( 0.000 -12.785 0.000) 12.785 14.708 ( 0.000 -20.354 0.000) 20.354 19.069 ( 0.000 11.601 0.000) 11.601 19.087 ( 0.000 18.569 0.000) 18.569 19.216 ( 0.000 8.774 0.000) 8.774 19.761 ( 0.000 -15.117 0.000) 15.117 20.207 ( 0.000 4.302 0.000) 4.302 20.606 ( 0.000 -12.083 0.000) 12.083 21.105 ( 0.000 2.978 0.000) 2.978 21.234 ( 0.000 -3.661 0.000) 3.661 21.851 ( 0.000 2.116 0.000) 2.116 21.920 ( 0.000 -1.476 0.000) 1.476 22.270 ( 0.000 1.295 0.000) 1.295 22.329 ( 0.000 -1.687 0.000) 1.687 22.614 ( 0.000 -0.007 0.000) 0.007 22.619 ( 0.000 -0.261 0.000) 0.261 23.176 ( 0.000 8.117 0.000) 8.117 23.600 ( 0.000 -13.576 0.000) 13.576 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 7.194 24.286 0.000) 25.330 1.651 ( 9.102 22.138 0.000) 23.936 2.063 ( -8.106 11.461 0.000) 14.038 2.337 ( -11.782 5.561 0.000) 13.029 2.392 ( 6.092 -12.520 0.000) 13.923 2.492 ( -5.729 -10.813 0.000) 12.237 2.524 ( 0.971 -11.492 0.000) 11.533 2.832 ( -9.409 -6.902 0.000) 11.669 3.071 ( 16.166 28.427 0.000) 32.702 3.197 ( 10.282 4.286 0.000) 11.140 3.445 ( 8.412 -6.845 0.000) 10.845 3.692 ( -2.942 -0.576 0.000) 2.998 3.696 ( -6.236 5.768 0.000) 8.494 3.908 ( -8.029 9.650 0.000) 12.554 4.031 ( 5.359 -3.104 0.000) 6.193 4.189 ( 2.312 -4.606 0.000) 5.154 4.264 ( -2.634 0.312 0.000) 2.652 4.347 ( -5.904 2.541 0.000) 6.427 4.360 ( 5.125 -3.999 0.000) 6.501 4.480 ( -0.247 7.750 0.000) 7.754 4.559 ( 0.705 -1.288 0.000) 1.468 4.638 ( -1.420 -4.333 0.000) 4.560 4.746 ( 0.224 -5.262 0.000) 5.267 4.865 ( -3.677 -6.828 0.000) 7.755 5.397 ( 0.548 13.004 0.000) 13.015 5.497 ( -3.339 11.657 0.000) 12.126 5.608 ( 0.157 2.781 0.000) 2.785 5.635 ( -3.410 2.959 0.000) 4.515 5.930 ( 2.942 8.515 0.000) 9.009 5.960 ( -0.062 8.505 0.000) 8.505 6.138 ( -1.536 3.691 0.000) 3.998 6.216 ( 5.807 1.106 0.000) 5.911 6.251 ( -5.578 -0.165 0.000) 5.580 6.355 ( 5.387 -3.730 0.000) 6.552 6.412 ( -0.998 3.089 0.000) 3.247 6.593 ( -4.806 0.685 0.000) 4.855 7.068 ( -1.649 -0.344 0.000) 1.685 7.070 ( -2.605 -4.635 0.000) 5.317 7.313 ( 4.386 -12.389 0.000) 13.143 7.336 ( 1.231 -8.132 0.000) 8.224 7.444 ( 2.648 7.178 0.000) 7.650 7.589 ( -4.246 4.706 0.000) 6.339 7.866 ( 5.427 -6.992 0.000) 8.851 7.912 ( 6.170 -3.657 0.000) 7.172 7.994 ( -0.147 -9.807 0.000) 9.808 8.098 ( 4.372 -7.412 0.000) 8.605 8.250 ( -6.308 0.589 0.000) 6.336 8.353 ( -4.510 -4.634 0.000) 6.466 9.538 ( 2.242 13.320 0.000) 13.507 9.678 ( -2.928 9.656 0.000) 10.090 10.125 ( 4.348 -12.589 0.000) 13.318 10.215 ( 0.050 -20.180 0.000) 20.180 10.600 ( 2.671 5.436 0.000) 6.057 10.731 ( 0.120 -1.000 0.000) 1.007 10.737 ( -0.513 5.195 0.000) 5.220 10.774 ( -2.908 2.205 0.000) 3.649 11.815 ( 2.769 4.616 0.000) 5.383 11.828 ( 1.069 -0.020 0.000) 1.070 11.894 ( 4.663 -3.242 0.000) 5.679 11.929 ( 8.348 0.414 0.000) 8.358 12.042 ( 0.934 1.636 0.000) 1.884 12.248 ( -2.650 -8.416 0.000) 8.823 12.428 ( -11.061 5.963 0.000) 12.566 12.629 ( -14.625 -3.976 0.000) 15.156 13.765 ( 2.507 15.189 0.000) 15.394 13.902 ( -2.154 19.968 0.000) 20.084 14.365 ( 9.275 -16.397 0.000) 18.838 14.669 ( -3.646 -20.234 0.000) 20.560 19.053 ( -0.723 13.210 0.000) 13.230 19.074 ( -1.082 17.668 0.000) 17.701 19.294 ( 6.556 5.902 0.000) 8.821 19.678 ( -7.496 -11.655 0.000) 13.857 20.241 ( 3.305 6.300 0.000) 7.114 20.672 ( 6.046 -11.801 0.000) 13.260 20.690 ( -21.207 14.896 0.000) 25.916 21.120 ( -11.768 -8.644 0.000) 14.602 21.974 ( 8.099 3.221 0.000) 8.716 22.166 ( 10.753 -7.082 0.000) 12.875 22.231 ( -3.430 2.087 0.000) 4.015 22.326 ( -0.576 -2.544 0.000) 2.609 22.717 ( 8.630 1.275 0.000) 8.724 22.825 ( 18.433 -5.974 0.000) 19.377 23.110 ( -5.996 7.165 0.000) 9.343 23.513 ( -8.163 -13.980 0.000) 16.189 ======================= Grid point 17 (12/75) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -7.079 18.207 0.000) 19.535 1.793 ( 7.079 18.207 0.000) 19.535 1.993 ( -13.132 17.003 0.000) 21.484 1.993 ( 13.132 17.003 0.000) 21.484 2.482 ( -0.132 -16.403 0.000) 16.403 2.482 ( 0.132 -16.403 0.000) 16.403 2.612 ( -9.170 -13.109 0.000) 15.998 2.612 ( 9.170 -13.109 0.000) 15.998 3.374 ( -0.354 14.634 0.000) 14.639 3.374 ( 0.354 14.634 0.000) 14.639 3.568 ( -1.126 3.178 0.000) 3.372 3.568 ( 1.126 3.178 0.000) 3.372 3.674 ( -5.527 7.513 0.000) 9.327 3.674 ( 5.527 7.513 0.000) 9.327 4.145 ( -4.997 6.968 0.000) 8.574 4.145 ( 4.997 6.968 0.000) 8.574 4.262 ( -4.063 -8.260 0.000) 9.206 4.262 ( 4.063 -8.260 0.000) 9.206 4.463 ( -2.939 2.382 0.000) 3.783 4.463 ( 2.939 2.382 0.000) 3.783 4.591 ( -2.363 -3.564 0.000) 4.277 4.591 ( 2.363 -3.564 0.000) 4.277 4.777 ( -3.180 -6.532 0.000) 7.265 4.777 ( 3.180 -6.532 0.000) 7.265 5.428 ( -2.459 11.041 0.000) 11.312 5.428 ( 2.459 11.041 0.000) 11.312 5.606 ( -0.034 1.397 0.000) 1.398 5.606 ( 0.034 1.397 0.000) 1.398 5.960 ( -0.261 8.430 0.000) 8.434 5.960 ( 0.261 8.430 0.000) 8.434 6.150 ( -3.017 3.084 0.000) 4.314 6.150 ( 3.017 3.084 0.000) 4.314 6.346 ( -5.056 1.342 0.000) 5.231 6.346 ( 5.056 1.342 0.000) 5.231 6.477 ( -5.662 -1.665 0.000) 5.902 6.477 ( 5.662 -1.665 0.000) 5.902 7.046 ( -0.100 -1.466 0.000) 1.469 7.046 ( 0.100 -1.466 0.000) 1.469 7.356 ( -0.078 -12.114 0.000) 12.114 7.356 ( 0.078 -12.114 0.000) 12.114 7.510 ( -3.272 8.083 0.000) 8.721 7.510 ( 3.272 8.083 0.000) 8.721 7.960 ( -3.038 -10.922 0.000) 11.337 7.960 ( 3.038 -10.922 0.000) 11.337 8.080 ( -8.662 -0.878 0.000) 8.706 8.080 ( 8.662 -0.878 0.000) 8.706 8.227 ( -6.687 -5.395 0.000) 8.592 8.227 ( 6.687 -5.395 0.000) 8.592 9.604 ( -3.599 12.455 0.000) 12.965 9.604 ( 3.599 12.455 0.000) 12.965 10.199 ( -1.979 -17.254 0.000) 17.367 10.199 ( 1.979 -17.254 0.000) 17.367 10.680 ( -4.279 3.719 0.000) 5.669 10.680 ( 4.279 3.719 0.000) 5.669 10.737 ( -0.488 1.676 0.000) 1.746 10.737 ( 0.488 1.676 0.000) 1.746 11.849 ( -0.248 3.172 0.000) 3.182 11.849 ( 0.248 3.172 0.000) 3.182 12.013 ( -5.012 -4.150 0.000) 6.507 12.013 ( 5.012 -4.150 0.000) 6.507 12.155 ( -12.423 4.165 0.000) 13.103 12.155 ( 12.423 4.165 0.000) 13.103 12.320 ( -11.339 -3.470 0.000) 11.858 12.320 ( 11.339 -3.470 0.000) 11.858 13.837 ( -3.611 18.210 0.000) 18.565 13.837 ( 3.611 18.210 0.000) 18.565 14.551 ( -7.284 -19.406 0.000) 20.728 14.551 ( 7.284 -19.406 0.000) 20.728 19.052 ( -0.637 15.587 0.000) 15.600 19.052 ( 0.637 15.587 0.000) 15.600 19.476 ( -9.895 -1.591 0.000) 10.023 19.476 ( 9.895 -1.591 0.000) 10.023 20.368 ( -9.331 12.177 0.000) 15.341 20.368 ( 9.331 12.177 0.000) 15.341 20.860 ( -11.090 -10.837 0.000) 15.506 20.860 ( 11.090 -10.837 0.000) 15.506 22.129 ( -6.002 3.281 0.000) 6.840 22.129 ( 6.002 3.281 0.000) 6.840 22.293 ( -2.826 -4.587 0.000) 5.387 22.293 ( 2.826 -4.587 0.000) 5.387 22.932 ( -10.067 4.492 0.000) 11.024 22.932 ( 10.067 4.492 0.000) 11.024 23.242 ( -17.053 -13.387 0.000) 21.680 23.242 ( 17.053 -13.387 0.000) 21.680 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.000 -19.978 0.000) 19.978 1.984 ( 0.000 19.978 0.000) 19.978 2.012 ( 0.000 -23.719 0.000) 23.719 2.012 ( 0.000 23.719 0.000) 23.719 2.342 ( 0.000 -7.769 0.000) 7.769 2.342 ( 0.000 7.769 0.000) 7.769 2.883 ( 0.000 -7.289 0.000) 7.289 2.883 ( 0.000 7.289 0.000) 7.289 3.116 ( 0.000 -8.701 0.000) 8.701 3.116 ( 0.000 8.701 0.000) 8.701 3.439 ( 0.000 -24.891 0.000) 24.891 3.439 ( 0.000 24.891 0.000) 24.891 3.859 ( 0.000 -1.630 0.000) 1.630 3.859 ( 0.000 1.630 0.000) 1.630 4.126 ( 0.000 -7.798 0.000) 7.798 4.126 ( 0.000 7.798 0.000) 7.798 4.205 ( 0.000 -5.132 0.000) 5.132 4.205 ( 0.000 5.132 0.000) 5.132 4.519 ( 0.000 -5.820 0.000) 5.820 4.519 ( 0.000 5.820 0.000) 5.820 4.615 ( 0.000 -6.557 0.000) 6.557 4.615 ( 0.000 6.557 0.000) 6.557 4.752 ( 0.000 -10.054 0.000) 10.054 4.752 ( 0.000 10.054 0.000) 10.054 5.598 ( 0.000 -5.472 0.000) 5.472 5.598 ( 0.000 5.472 0.000) 5.472 5.710 ( 0.000 -4.756 0.000) 4.756 5.710 ( 0.000 4.756 0.000) 4.756 6.071 ( 0.000 -10.184 0.000) 10.184 6.071 ( 0.000 10.184 0.000) 10.184 6.137 ( 0.000 -10.150 0.000) 10.150 6.137 ( 0.000 10.150 0.000) 10.150 6.217 ( 0.000 -0.777 0.000) 0.777 6.217 ( 0.000 0.777 0.000) 0.777 6.621 ( 0.000 -7.703 0.000) 7.703 6.621 ( 0.000 7.703 0.000) 7.703 7.060 ( 0.000 -3.847 0.000) 3.847 7.060 ( 0.000 3.847 0.000) 3.847 7.143 ( 0.000 -6.583 0.000) 6.583 7.143 ( 0.000 6.583 0.000) 6.583 7.657 ( 0.000 -13.809 0.000) 13.809 7.657 ( 0.000 13.809 0.000) 13.809 7.708 ( 0.000 -3.952 0.000) 3.952 7.708 ( 0.000 3.952 0.000) 3.952 7.934 ( 0.000 -0.184 0.000) 0.184 7.934 ( 0.000 0.184 0.000) 0.184 8.350 ( 0.000 -1.914 0.000) 1.914 8.350 ( 0.000 1.914 0.000) 1.914 9.825 ( 0.000 -18.901 0.000) 18.901 9.825 ( 0.000 18.901 0.000) 18.901 9.881 ( 0.000 -9.580 0.000) 9.580 9.881 ( 0.000 9.580 0.000) 9.580 10.672 ( 0.000 -4.219 0.000) 4.219 10.672 ( 0.000 4.219 0.000) 4.219 10.817 ( 0.000 -1.508 0.000) 1.508 10.817 ( 0.000 1.508 0.000) 1.508 11.809 ( 0.000 -0.554 0.000) 0.554 11.809 ( 0.000 0.554 0.000) 0.554 11.824 ( 0.000 -0.909 0.000) 0.909 11.824 ( 0.000 0.909 0.000) 0.909 12.129 ( 0.000 -6.804 0.000) 6.804 12.129 ( 0.000 6.804 0.000) 6.804 12.691 ( 0.000 -6.727 0.000) 6.727 12.691 ( 0.000 6.727 0.000) 6.727 13.985 ( 0.000 -13.122 0.000) 13.122 13.985 ( 0.000 13.122 0.000) 13.122 14.318 ( 0.000 -20.554 0.000) 20.554 14.318 ( 0.000 20.554 0.000) 20.554 19.241 ( 0.000 -5.236 0.000) 5.236 19.241 ( 0.000 5.236 0.000) 5.236 19.441 ( 0.000 -18.117 0.000) 18.117 19.441 ( 0.000 18.117 0.000) 18.117 20.369 ( 0.000 -11.771 0.000) 11.771 20.369 ( 0.000 11.771 0.000) 11.771 21.166 ( 0.000 -3.399 0.000) 3.399 21.166 ( 0.000 3.399 0.000) 3.399 21.888 ( 0.000 -1.811 0.000) 1.811 21.888 ( 0.000 1.811 0.000) 1.811 22.298 ( 0.000 -1.548 0.000) 1.548 22.298 ( 0.000 1.548 0.000) 1.548 22.616 ( 0.000 -0.135 0.000) 0.135 22.616 ( 0.000 0.135 0.000) 0.135 23.361 ( 0.000 -11.241 0.000) 11.241 23.361 ( 0.000 11.241 0.000) 11.241 ======================= Grid point 22 (14/75) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 3.658 -22.123 0.000) 22.423 2.053 ( 3.658 22.123 0.000) 22.423 2.056 ( 6.411 -19.707 0.000) 20.724 2.056 ( 6.411 19.707 0.000) 20.724 2.298 ( -3.531 -11.862 0.000) 12.376 2.298 ( -3.531 11.862 0.000) 12.376 2.629 ( -15.655 -12.305 0.000) 19.912 2.629 ( -15.655 12.305 0.000) 19.912 3.317 ( 11.239 -6.764 0.000) 13.118 3.317 ( 11.239 6.764 0.000) 13.118 3.557 ( 7.513 -17.470 0.000) 19.017 3.557 ( 7.513 17.470 0.000) 19.017 3.816 ( -1.179 -9.643 0.000) 9.715 3.816 ( -1.179 9.643 0.000) 9.715 4.102 ( -2.797 -10.361 0.000) 10.732 4.102 ( -2.797 10.361 0.000) 10.732 4.254 ( 3.942 -6.731 0.000) 7.800 4.254 ( 3.942 6.731 0.000) 7.800 4.498 ( -3.214 -6.613 0.000) 7.352 4.498 ( -3.214 6.613 0.000) 7.352 4.625 ( 0.839 -6.586 0.000) 6.639 4.625 ( 0.839 6.586 0.000) 6.639 4.699 ( -3.713 -9.661 0.000) 10.350 4.699 ( -3.713 9.661 0.000) 10.350 5.586 ( -0.850 -5.727 0.000) 5.790 5.586 ( -0.850 5.727 0.000) 5.790 5.639 ( -4.508 -3.356 0.000) 5.620 5.639 ( -4.508 3.356 0.000) 5.620 6.072 ( 0.531 -6.486 0.000) 6.508 6.072 ( 0.531 6.486 0.000) 6.508 6.123 ( -1.182 -8.621 0.000) 8.702 6.123 ( -1.182 8.621 0.000) 8.702 6.303 ( 6.124 -3.236 0.000) 6.926 6.303 ( 6.124 3.236 0.000) 6.926 6.559 ( -4.987 -6.232 0.000) 7.982 6.559 ( -4.987 6.232 0.000) 7.982 7.089 ( 1.919 -8.352 0.000) 8.569 7.089 ( 1.919 8.352 0.000) 8.569 7.137 ( -0.490 -8.297 0.000) 8.311 7.137 ( -0.490 8.297 0.000) 8.311 7.674 ( 1.527 -14.115 0.000) 14.197 7.674 ( 1.527 14.115 0.000) 14.197 7.716 ( 0.420 -7.925 0.000) 7.936 7.716 ( 0.420 7.925 0.000) 7.936 7.995 ( 5.210 -3.844 0.000) 6.474 7.995 ( 5.210 3.844 0.000) 6.474 8.285 ( -5.663 -2.794 0.000) 6.315 8.285 ( -5.663 2.794 0.000) 6.315 9.843 ( 1.553 -18.271 0.000) 18.337 9.843 ( 1.553 18.271 0.000) 18.337 9.887 ( 0.247 -12.029 0.000) 12.032 9.887 ( 0.247 12.029 0.000) 12.032 10.688 ( 1.507 -3.547 0.000) 3.854 10.688 ( 1.507 3.547 0.000) 3.854 10.792 ( -2.140 -0.700 0.000) 2.252 10.792 ( -2.140 0.700 0.000) 2.252 11.844 ( 3.103 -1.803 0.000) 3.589 11.844 ( 3.103 1.803 0.000) 3.589 11.897 ( 5.431 -3.553 0.000) 6.490 11.897 ( 5.431 3.553 0.000) 6.490 12.111 ( -0.375 -5.595 0.000) 5.607 12.111 ( -0.375 5.595 0.000) 5.607 12.537 ( -12.547 -5.437 0.000) 13.675 12.537 ( -12.547 5.437 0.000) 13.675 14.059 ( 5.794 -15.740 0.000) 16.773 14.059 ( 5.794 15.740 0.000) 16.773 14.285 ( -3.092 -20.127 0.000) 20.363 14.285 ( -3.092 20.127 0.000) 20.363 19.264 ( 2.067 -7.748 0.000) 8.019 19.264 ( 2.067 7.748 0.000) 8.019 19.404 ( -3.147 -16.440 0.000) 16.739 19.404 ( -3.147 16.440 0.000) 16.739 20.433 ( 5.911 -12.529 0.000) 13.853 20.433 ( 5.911 12.529 0.000) 13.853 20.934 ( -15.755 -11.039 0.000) 19.238 20.934 ( -15.755 11.039 0.000) 19.238 22.051 ( 9.524 -4.949 0.000) 10.733 22.051 ( 9.524 4.949 0.000) 10.733 22.276 ( -2.062 -2.575 0.000) 3.299 22.276 ( -2.062 2.575 0.000) 3.299 22.751 ( 11.792 -2.463 0.000) 12.047 22.751 ( 11.792 2.463 0.000) 12.047 23.278 ( -7.601 -10.556 0.000) 13.008 23.278 ( -7.601 10.556 0.000) 13.008 ======================= Grid point 24 (15/75) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -3.134 -18.054 0.000) 18.324 2.144 ( 3.134 -18.054 0.000) 18.324 2.144 ( -3.134 18.054 0.000) 18.324 2.144 ( 3.134 18.054 0.000) 18.324 2.321 ( -10.840 -16.426 0.000) 19.680 2.321 ( 10.840 -16.426 0.000) 19.680 2.321 ( -10.840 16.426 0.000) 19.680 2.321 ( 10.840 16.426 0.000) 19.680 3.530 ( -7.964 -4.401 0.000) 9.100 3.530 ( 7.964 -4.401 0.000) 9.100 3.530 ( -7.964 4.401 0.000) 9.100 3.530 ( 7.964 4.401 0.000) 9.100 3.965 ( -10.289 -16.477 0.000) 19.426 3.965 ( 10.289 -16.477 0.000) 19.426 3.965 ( -10.289 16.477 0.000) 19.426 3.965 ( 10.289 16.477 0.000) 19.426 4.367 ( -6.818 -9.581 0.000) 11.759 4.367 ( 6.818 -9.581 0.000) 11.759 4.367 ( -6.818 9.581 0.000) 11.759 4.367 ( 6.818 9.581 0.000) 11.759 4.648 ( -1.320 -6.660 0.000) 6.790 4.648 ( 1.320 -6.660 0.000) 6.790 4.648 ( -1.320 6.660 0.000) 6.790 4.648 ( 1.320 6.660 0.000) 6.790 5.580 ( -0.812 -4.632 0.000) 4.703 5.580 ( 0.812 -4.632 0.000) 4.703 5.580 ( -0.812 4.632 0.000) 4.703 5.580 ( 0.812 4.632 0.000) 4.703 6.094 ( -1.369 -5.839 0.000) 5.998 6.094 ( 1.369 -5.839 0.000) 5.998 6.094 ( -1.369 5.839 0.000) 5.998 6.094 ( 1.369 5.839 0.000) 5.998 6.437 ( -6.054 -4.217 0.000) 7.377 6.437 ( 6.054 -4.217 0.000) 7.377 6.437 ( -6.054 4.217 0.000) 7.377 6.437 ( 6.054 4.217 0.000) 7.377 7.122 ( -1.053 -10.018 0.000) 10.073 7.122 ( 1.053 -10.018 0.000) 10.073 7.122 ( -1.053 10.018 0.000) 10.073 7.122 ( 1.053 10.018 0.000) 10.073 7.709 ( -1.209 -12.418 0.000) 12.477 7.709 ( 1.209 -12.418 0.000) 12.477 7.709 ( -1.209 12.418 0.000) 12.477 7.709 ( 1.209 12.418 0.000) 12.477 8.136 ( -7.365 -4.265 0.000) 8.511 8.136 ( 7.365 -4.265 0.000) 8.511 8.136 ( -7.365 4.265 0.000) 8.511 8.136 ( 7.365 4.265 0.000) 8.511 9.877 ( -1.249 -15.987 0.000) 16.036 9.877 ( 1.249 -15.987 0.000) 16.036 9.877 ( -1.249 15.987 0.000) 16.036 9.877 ( 1.249 15.987 0.000) 16.036 10.736 ( -2.729 -1.746 0.000) 3.240 10.736 ( 2.729 -1.746 0.000) 3.240 10.736 ( -2.729 1.746 0.000) 3.240 10.736 ( 2.729 1.746 0.000) 3.240 11.923 ( -3.180 -4.621 0.000) 5.609 11.923 ( 3.180 -4.621 0.000) 5.609 11.923 ( -3.180 4.621 0.000) 5.609 11.923 ( 3.180 4.621 0.000) 5.609 12.243 ( -12.550 -4.512 0.000) 13.336 12.243 ( -12.550 4.512 0.000) 13.336 12.243 ( 12.550 -4.512 0.000) 13.336 12.243 ( 12.550 4.512 0.000) 13.336 14.189 ( -5.602 -18.676 0.000) 19.498 14.189 ( 5.602 -18.676 0.000) 19.498 14.189 ( -5.602 18.676 0.000) 19.498 14.189 ( 5.602 18.676 0.000) 19.498 19.326 ( -3.590 -12.340 0.000) 12.851 19.326 ( 3.590 -12.340 0.000) 12.851 19.326 ( -3.590 12.340 0.000) 12.851 19.326 ( 3.590 12.340 0.000) 12.851 20.625 ( -11.959 -13.530 0.000) 18.058 20.625 ( 11.959 -13.530 0.000) 18.058 20.625 ( -11.959 13.530 0.000) 18.058 20.625 ( 11.959 13.530 0.000) 18.058 22.204 ( -4.861 -4.486 0.000) 6.614 22.204 ( 4.861 -4.486 0.000) 6.614 22.204 ( -4.861 4.486 0.000) 6.614 22.204 ( 4.861 4.486 0.000) 6.614 23.045 ( -13.521 -7.734 0.000) 15.576 23.045 ( 13.521 -7.734 0.000) 15.576 23.045 ( -13.521 7.734 0.000) 15.576 23.045 ( 13.521 7.734 0.000) 15.576 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 0.000 26.092) 26.092 0.592 ( 0.000 0.000 27.693) 27.693 1.045 ( 0.000 0.000 48.079) 48.079 1.770 ( 0.000 0.000 5.196) 5.196 2.018 ( 0.000 0.000 6.150) 6.150 2.398 ( 0.000 0.000 -3.513) 3.513 2.974 ( 0.000 0.000 -3.717) 3.717 3.016 ( 0.000 0.000 -3.148) 3.148 3.064 ( 0.000 0.000 -4.956) 4.956 3.170 ( 0.000 0.000 -4.225) 4.225 3.365 ( 0.000 0.000 1.128) 1.128 3.514 ( 0.000 0.000 -1.258) 1.258 3.639 ( 0.000 0.000 -8.582) 8.582 3.650 ( 0.000 0.000 -8.498) 8.498 3.744 ( 0.000 0.000 -1.887) 1.887 4.190 ( 0.000 0.000 13.666) 13.666 4.210 ( 0.000 0.000 -1.774) 1.774 4.229 ( 0.000 0.000 0.144) 0.144 4.509 ( 0.000 0.000 2.393) 2.393 4.596 ( 0.000 0.000 -0.063) 0.063 4.669 ( 0.000 0.000 -10.935) 10.935 4.742 ( 0.000 0.000 1.759) 1.759 4.773 ( 0.000 0.000 -2.584) 2.584 4.958 ( 0.000 0.000 2.582) 2.582 5.001 ( 0.000 0.000 -9.580) 9.580 5.113 ( 0.000 0.000 -3.830) 3.830 5.345 ( 0.000 0.000 1.569) 1.569 5.474 ( 0.000 0.000 5.199) 5.199 5.547 ( 0.000 0.000 2.370) 2.370 5.577 ( 0.000 0.000 2.764) 2.764 5.659 ( 0.000 0.000 0.579) 0.579 6.066 ( 0.000 0.000 -1.450) 1.450 6.474 ( 0.000 0.000 -6.651) 6.651 6.655 ( 0.000 0.000 1.218) 1.218 6.684 ( 0.000 0.000 -1.017) 1.017 6.686 ( 0.000 0.000 -2.860) 2.860 6.832 ( 0.000 0.000 -2.935) 2.935 7.050 ( 0.000 0.000 -4.172) 4.172 7.092 ( 0.000 0.000 8.954) 8.954 7.522 ( 0.000 0.000 -1.081) 1.081 7.773 ( 0.000 0.000 3.563) 3.563 7.853 ( 0.000 0.000 -8.340) 8.340 8.028 ( 0.000 0.000 0.565) 0.565 8.089 ( 0.000 0.000 1.385) 1.385 8.147 ( 0.000 0.000 -0.375) 0.375 8.553 ( 0.000 0.000 -4.766) 4.766 8.574 ( 0.000 0.000 -1.518) 1.518 8.660 ( 0.000 0.000 -2.053) 2.053 9.104 ( 0.000 0.000 0.753) 0.753 9.264 ( 0.000 0.000 -0.403) 0.403 10.245 ( 0.000 0.000 -2.299) 2.299 10.317 ( 0.000 0.000 1.158) 1.158 10.343 ( 0.000 0.000 -1.372) 1.372 10.708 ( 0.000 0.000 4.030) 4.030 10.718 ( 0.000 0.000 -4.906) 4.906 10.912 ( 0.000 0.000 4.155) 4.155 11.389 ( 0.000 0.000 -5.958) 5.958 11.699 ( 0.000 0.000 1.501) 1.501 11.734 ( 0.000 0.000 -1.388) 1.388 11.736 ( 0.000 0.000 -5.529) 5.529 11.876 ( 0.000 0.000 -12.563) 12.563 12.166 ( 0.000 0.000 11.698) 11.698 12.235 ( 0.000 0.000 -1.370) 1.370 12.759 ( 0.000 0.000 6.806) 6.806 13.255 ( 0.000 0.000 8.734) 8.734 14.664 ( 0.000 0.000 -1.439) 1.439 15.295 ( 0.000 0.000 -0.283) 0.283 15.550 ( 0.000 0.000 -2.308) 2.308 18.408 ( 0.000 0.000 0.497) 0.497 18.430 ( 0.000 0.000 0.481) 0.481 18.564 ( 0.000 0.000 -0.449) 0.449 18.576 ( 0.000 0.000 -0.308) 0.308 20.213 ( 0.000 0.000 0.363) 0.363 20.258 ( 0.000 0.000 0.442) 0.442 20.968 ( 0.000 0.000 -3.586) 3.586 21.220 ( 0.000 0.000 -1.932) 1.932 21.759 ( 0.000 0.000 0.740) 0.740 21.953 ( 0.000 0.000 -0.848) 0.848 22.382 ( 0.000 0.000 -0.941) 0.941 22.594 ( 0.000 0.000 -2.247) 2.247 22.721 ( 0.000 0.000 7.500) 7.500 23.022 ( 0.000 0.000 5.534) 5.534 23.366 ( 0.000 0.000 0.365) 0.365 24.429 ( 0.000 0.000 -8.084) 8.084 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 19.432 0.000 16.920) 25.766 0.943 ( 20.933 0.000 21.163) 29.767 1.490 ( 29.742 0.000 24.011) 38.225 1.612 ( -13.379 0.000 6.151) 14.725 1.885 ( -4.431 0.000 11.715) 12.525 2.485 ( 6.906 0.000 -3.554) 7.767 2.860 ( -9.510 0.000 -3.648) 10.186 2.992 ( 1.750 0.000 -4.753) 5.065 3.098 ( -1.119 0.000 -2.507) 2.746 3.172 ( -13.805 0.000 -4.662) 14.571 3.313 ( 8.334 0.000 -4.236) 9.348 3.554 ( 0.217 0.000 6.686) 6.690 3.602 ( -4.315 0.000 -7.744) 8.865 3.733 ( 2.658 0.000 -3.271) 4.214 3.781 ( 3.644 0.000 -0.822) 3.736 4.054 ( -7.697 0.000 -0.138) 7.698 4.058 ( -4.405 0.000 4.456) 6.266 4.378 ( 7.074 0.000 -2.023) 7.357 4.451 ( -10.540 0.000 1.312) 10.622 4.587 ( 6.448 0.000 -0.956) 6.518 4.629 ( -3.319 0.000 -7.825) 8.500 4.802 ( 4.539 0.000 -4.922) 6.695 4.831 ( 2.637 0.000 -0.592) 2.703 4.932 ( -5.974 0.000 -8.150) 10.105 4.946 ( -0.812 0.000 2.967) 3.076 5.038 ( -5.231 0.000 -1.342) 5.401 5.365 ( 1.611 0.000 0.745) 1.775 5.466 ( -1.448 0.000 1.224) 1.897 5.532 ( -0.017 0.000 4.550) 4.550 5.578 ( -0.295 0.000 3.570) 3.582 5.797 ( 7.770 0.000 -2.103) 8.050 5.968 ( -4.637 0.000 -2.560) 5.297 6.469 ( 2.216 0.000 5.109) 5.569 6.581 ( 4.658 0.000 -3.016) 5.549 6.642 ( -1.753 0.000 1.191) 2.119 6.829 ( -1.863 0.000 -5.897) 6.184 6.869 ( 2.907 0.000 -2.911) 4.114 6.999 ( -2.756 0.000 -1.453) 3.116 7.191 ( 7.196 0.000 5.770) 9.224 7.619 ( 4.406 0.000 -6.691) 8.011 7.627 ( -10.625 0.000 3.918) 11.324 7.761 ( -5.080 0.000 -5.710) 7.643 7.988 ( -0.768 0.000 1.037) 1.290 8.076 ( -1.767 0.000 1.941) 2.625 8.261 ( 7.871 0.000 -0.522) 7.889 8.482 ( 9.107 0.000 1.845) 9.292 8.535 ( -3.635 0.000 -1.418) 3.902 8.959 ( -1.566 0.000 -12.053) 12.155 9.128 ( 2.061 0.000 0.644) 2.159 9.241 ( -2.077 0.000 -0.180) 2.084 10.289 ( 3.937 0.000 -2.260) 4.539 10.351 ( 3.394 0.000 0.766) 3.479 10.542 ( -1.304 0.000 -3.935) 4.145 10.580 ( -8.534 0.000 -2.546) 8.905 10.960 ( 23.452 0.000 -12.513) 26.581 11.064 ( 9.889 0.000 1.629) 10.022 11.464 ( 2.372 0.000 -10.391) 10.658 11.503 ( -10.048 0.000 0.553) 10.063 11.704 ( 0.062 0.000 -7.941) 7.941 11.858 ( -1.473 0.000 -14.441) 14.516 11.915 ( 8.587 0.000 -0.497) 8.601 12.195 ( -3.706 0.000 -1.236) 3.906 12.216 ( 5.708 0.000 9.531) 11.109 12.663 ( -8.527 0.000 4.430) 9.609 13.313 ( 5.238 0.000 13.022) 14.036 13.932 ( -32.234 0.000 31.860) 45.322 15.448 ( 4.267 0.000 -5.691) 7.113 15.544 ( -0.902 0.000 -2.447) 2.608 18.411 ( 0.287 0.000 0.490) 0.567 18.427 ( -0.283 0.000 0.478) 0.556 18.565 ( 0.167 0.000 -0.423) 0.455 18.574 ( -0.162 0.000 -0.323) 0.362 20.212 ( 1.093 0.000 -0.144) 1.102 20.281 ( -0.553 0.000 2.396) 2.458 20.974 ( 4.339 0.000 -4.300) 6.108 21.302 ( -5.125 0.000 -6.531) 8.302 21.854 ( 9.281 0.000 -1.691) 9.434 22.120 ( 7.513 0.000 -4.460) 8.737 22.312 ( -5.116 0.000 -3.438) 6.164 22.461 ( -7.758 0.000 -1.897) 7.987 22.762 ( 5.393 0.000 6.569) 8.499 22.949 ( -2.456 0.000 4.084) 4.766 23.792 ( 19.901 0.000 -10.851) 22.667 24.314 ( -8.529 0.000 -3.504) 9.221 ======================= Grid point 47 (18/75) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -19.703 0.000 9.556) 21.898 1.246 ( 19.703 0.000 9.556) 21.898 1.388 ( -19.536 0.000 13.596) 23.801 1.388 ( 19.536 0.000 13.596) 23.801 2.514 ( -39.347 0.000 9.458) 40.467 2.514 ( 39.347 0.000 9.458) 40.467 2.659 ( -8.913 0.000 -3.736) 9.664 2.659 ( 8.913 0.000 -3.736) 9.664 3.073 ( -3.420 0.000 -0.636) 3.479 3.073 ( 3.420 0.000 -0.636) 3.479 3.479 ( -6.887 0.000 -5.606) 8.880 3.479 ( 6.887 0.000 -5.606) 8.880 3.637 ( -6.847 0.000 -1.733) 7.063 3.637 ( 6.847 0.000 -1.733) 7.063 3.896 ( -6.700 0.000 -0.122) 6.701 3.896 ( 6.700 0.000 -0.122) 6.701 4.202 ( -11.818 0.000 0.458) 11.827 4.202 ( 11.818 0.000 0.458) 11.827 4.520 ( -5.966 0.000 -4.663) 7.572 4.520 ( 5.966 0.000 -4.663) 7.572 4.767 ( -8.752 0.000 -4.567) 9.871 4.767 ( 8.752 0.000 -4.567) 9.871 4.867 ( -0.441 0.000 -0.676) 0.807 4.867 ( 0.441 0.000 -0.676) 0.807 4.946 ( -2.232 0.000 -0.499) 2.287 4.946 ( 2.232 0.000 -0.499) 2.287 5.412 ( -2.730 0.000 -0.420) 2.763 5.412 ( 2.730 0.000 -0.420) 2.763 5.557 ( -1.530 0.000 4.625) 4.871 5.557 ( 1.530 0.000 4.625) 4.871 5.899 ( -2.699 0.000 -3.721) 4.596 5.899 ( 2.699 0.000 -3.721) 4.596 6.568 ( -5.010 0.000 3.580) 6.158 6.568 ( 5.010 0.000 3.580) 6.158 6.719 ( -6.880 0.000 -4.001) 7.959 6.719 ( 6.880 0.000 -4.001) 7.959 6.937 ( -3.115 0.000 -2.315) 3.881 6.937 ( 3.115 0.000 -2.315) 3.881 7.388 ( -10.743 0.000 4.995) 11.848 7.388 ( 10.743 0.000 4.995) 11.848 7.683 ( -2.512 0.000 -7.083) 7.516 7.683 ( 2.512 0.000 -7.083) 7.516 8.020 ( -2.845 0.000 2.142) 3.561 8.020 ( 2.845 0.000 2.142) 3.561 8.423 ( -6.620 0.000 -1.053) 6.704 8.423 ( 6.620 0.000 -1.053) 6.704 8.754 ( -13.623 0.000 -3.593) 14.089 8.754 ( 13.623 0.000 -3.593) 14.089 9.184 ( -2.906 0.000 0.286) 2.920 9.184 ( 2.906 0.000 0.286) 2.920 10.409 ( -7.007 0.000 -2.196) 7.343 10.409 ( 7.007 0.000 -2.196) 7.343 10.448 ( -5.227 0.000 0.258) 5.234 10.448 ( 5.227 0.000 0.258) 5.234 11.284 ( -10.298 0.000 0.886) 10.336 11.284 ( 10.298 0.000 0.886) 10.336 11.332 ( -12.017 0.000 -6.401) 13.615 11.332 ( 12.017 0.000 -6.401) 13.615 11.796 ( -4.673 0.000 -16.990) 17.621 11.796 ( 4.673 0.000 -16.990) 17.621 12.081 ( -6.688 0.000 -0.893) 6.747 12.081 ( 6.688 0.000 -0.893) 6.747 12.425 ( -12.243 0.000 4.166) 12.932 12.425 ( 12.243 0.000 4.166) 12.932 13.490 ( -12.214 0.000 22.743) 25.815 13.490 ( 12.214 0.000 22.743) 25.815 15.510 ( -2.150 0.000 -3.504) 4.111 15.510 ( 2.150 0.000 -3.504) 4.111 18.419 ( -0.403 0.000 0.479) 0.626 18.419 ( 0.403 0.000 0.479) 0.626 18.570 ( -0.233 0.000 -0.369) 0.436 18.570 ( 0.233 0.000 -0.369) 0.436 20.248 ( -1.961 0.000 1.301) 2.353 20.248 ( 1.961 0.000 1.301) 2.353 21.125 ( -8.820 0.000 -4.202) 9.770 21.125 ( 8.820 0.000 -4.202) 9.770 22.059 ( -9.086 0.000 0.429) 9.096 22.059 ( 9.086 0.000 0.429) 9.096 22.335 ( -4.934 0.000 -7.204) 8.732 22.335 ( 4.934 0.000 -7.204) 8.732 22.879 ( -4.565 0.000 5.079) 6.829 22.879 ( 4.565 0.000 5.079) 6.829 24.106 ( -11.051 0.000 -5.453) 12.323 24.106 ( 11.051 0.000 -5.453) 12.323 ======================= Grid point 50 (19/75) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 16.505 20.556) 26.362 0.785 ( 0.000 17.640 19.377) 26.203 1.394 ( 0.000 31.884 31.882) 45.089 2.006 ( 0.000 11.219 3.452) 11.738 2.033 ( 0.000 13.700 6.954) 15.364 2.433 ( 0.000 3.538 -1.413) 3.810 2.882 ( 0.000 -8.726 0.046) 8.726 2.895 ( 0.000 -6.954 -3.763) 7.906 3.077 ( 0.000 -4.044 -0.635) 4.094 3.289 ( 0.000 8.160 -7.088) 10.809 3.467 ( 0.000 10.079 -4.527) 11.049 3.494 ( 0.000 -0.760 0.559) 0.943 3.567 ( 0.000 -4.177 -5.535) 6.935 3.709 ( 0.000 -1.913 -5.263) 5.600 3.755 ( 0.000 5.802 -7.265) 9.297 4.179 ( 0.000 2.169 5.257) 5.687 4.303 ( 0.000 -1.642 -7.807) 7.977 4.327 ( 0.000 -5.410 1.836) 5.714 4.345 ( 0.000 8.133 4.791) 9.440 4.602 ( 0.000 -3.570 -7.051) 7.903 4.687 ( 0.000 -5.569 -0.701) 5.613 4.763 ( 0.000 4.706 -3.190) 5.686 4.891 ( 0.000 5.971 -2.970) 6.669 4.946 ( 0.000 5.337 2.290) 5.808 4.950 ( 0.000 -4.013 -3.362) 5.235 5.058 ( 0.000 -3.813 -2.975) 4.836 5.398 ( 0.000 3.937 -1.017) 4.067 5.532 ( 0.000 5.761 6.435) 8.637 5.595 ( 0.000 4.280 0.170) 4.283 5.702 ( 0.000 4.985 3.320) 5.989 5.714 ( 0.000 11.418 -1.800) 11.559 6.090 ( 0.000 3.040 -0.481) 3.078 6.445 ( 0.000 -3.077 -5.739) 6.512 6.448 ( 0.000 -11.889 8.930) 14.869 6.617 ( 0.000 -3.533 -0.016) 3.533 6.650 ( 0.000 -3.449 -2.877) 4.491 6.919 ( 0.000 6.065 -4.923) 7.812 7.073 ( 0.000 1.862 -2.750) 3.321 7.250 ( 0.000 8.755 3.783) 9.537 7.465 ( 0.000 -5.742 -1.576) 5.955 7.724 ( 0.000 -10.684 -4.228) 11.490 7.788 ( 0.000 1.364 3.210) 3.488 7.998 ( 0.000 -6.812 2.609) 7.295 7.999 ( 0.000 -2.879 0.738) 2.972 8.187 ( 0.000 0.600 -0.992) 1.160 8.350 ( 0.000 -11.636 5.585) 12.907 8.495 ( 0.000 -6.270 -3.290) 7.081 8.537 ( 0.000 -3.531 -2.703) 4.447 9.270 ( 0.000 1.073 -0.117) 1.079 9.399 ( 0.000 10.310 -9.215) 13.828 10.313 ( 0.000 -3.350 -1.130) 3.535 10.335 ( 0.000 5.364 -2.060) 5.746 10.355 ( 0.000 6.474 -0.306) 6.481 10.643 ( 0.000 -2.800 -4.147) 5.003 10.800 ( 0.000 4.561 2.798) 5.351 10.928 ( 0.000 -9.719 -0.716) 9.745 11.552 ( 0.000 10.839 -13.818) 17.562 11.705 ( 0.000 0.745 -7.326) 7.364 11.737 ( 0.000 0.177 -2.370) 2.377 11.857 ( 0.000 -1.557 -10.378) 10.494 12.028 ( 0.000 19.425 -10.230) 21.954 12.194 ( 0.000 9.397 5.838) 11.063 12.266 ( 0.000 2.646 -2.848) 3.887 12.723 ( 0.000 -3.466 7.831) 8.564 13.297 ( 0.000 4.477 8.506) 9.612 14.597 ( 0.000 -37.308 35.457) 51.469 14.608 ( 0.000 -5.720 -1.146) 5.834 15.413 ( 0.000 -13.232 -1.265) 13.292 18.516 ( 0.000 8.817 0.201) 8.819 18.569 ( 0.000 15.444 -0.355) 15.448 18.648 ( 0.000 7.437 -0.284) 7.443 19.553 ( 0.000 53.712 -50.653) 73.828 20.183 ( 0.000 -2.067 -0.548) 2.139 20.238 ( 0.000 -2.048 0.349) 2.078 20.976 ( 0.000 0.818 -3.936) 4.020 21.188 ( 0.000 -3.264 -2.552) 4.143 21.762 ( 0.000 0.474 0.744) 0.882 21.948 ( 0.000 -0.580 -0.801) 0.989 22.380 ( 0.000 -0.264 -0.543) 0.604 22.583 ( 0.000 -1.276 -2.130) 2.483 22.720 ( 0.000 -0.212 7.670) 7.673 23.037 ( 0.000 1.667 4.975) 5.247 23.113 ( 0.000 -19.762 19.314) 27.633 24.164 ( 0.000 -17.496 1.403) 17.552 ======================= Grid point 51 (20/75) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 18.481 13.084 15.215) 27.280 1.063 ( 18.093 12.501 17.922) 28.370 1.675 ( 10.227 15.863 13.675) 23.307 1.821 ( -15.147 17.898 5.854) 24.167 1.953 ( 7.807 10.915 14.312) 19.620 2.549 ( 8.091 6.679 -1.522) 10.601 2.874 ( -3.680 -1.124 -1.522) 4.138 2.927 ( 2.236 -6.450 -3.442) 7.646 3.041 ( -2.864 -5.882 -1.219) 6.655 3.158 ( -10.125 1.025 -6.205) 11.919 3.376 ( -1.758 3.894 -1.197) 4.437 3.558 ( 2.866 3.249 -1.041) 4.455 3.654 ( -5.678 2.204 -5.412) 8.148 3.715 ( 2.982 -1.184 -2.709) 4.199 3.786 ( 4.247 0.963 -2.223) 4.890 4.016 ( -7.773 1.484 4.854) 9.284 4.186 ( -5.856 7.219 -1.223) 9.375 4.333 ( -1.013 -4.999 0.739) 5.154 4.416 ( 3.869 0.875 -2.258) 4.564 4.579 ( -2.634 -3.853 -5.776) 7.426 4.703 ( 2.693 -1.582 -5.626) 6.435 4.773 ( 1.888 2.376 -2.229) 3.766 4.885 ( -3.687 1.548 -1.867) 4.413 4.923 ( 0.524 1.339 -0.218) 1.454 4.953 ( -0.010 2.585 0.121) 2.588 5.004 ( -4.039 -0.062 -3.265) 5.194 5.413 ( 1.491 3.990 -0.731) 4.322 5.509 ( -1.614 3.777 2.514) 4.816 5.618 ( 0.591 5.740 1.927) 6.084 5.646 ( -2.012 8.456 2.800) 9.132 5.842 ( 6.258 4.869 -0.874) 7.977 5.997 ( -4.873 3.475 -1.163) 6.097 6.419 ( 2.676 -4.712 4.835) 7.262 6.526 ( 4.758 -4.998 -3.041) 7.541 6.598 ( -1.899 -4.026 0.730) 4.511 6.697 ( 0.456 -7.676 -3.162) 8.314 6.955 ( 2.196 5.741 -4.288) 7.495 7.061 ( -1.905 3.242 -2.698) 4.628 7.245 ( 3.375 4.812 6.981) 9.126 7.536 ( 0.728 -5.626 -3.682) 6.763 7.649 ( -6.292 -1.681 -0.031) 6.513 7.695 ( -3.160 -5.515 -4.012) 7.517 7.972 ( 0.061 -1.442 1.086) 1.806 8.049 ( 0.601 -2.218 2.703) 3.548 8.251 ( 5.323 -1.449 -1.663) 5.762 8.394 ( 6.573 -7.771 2.285) 10.431 8.479 ( -2.164 -6.319 -1.593) 6.866 8.665 ( 3.748 -15.166 -4.068) 16.143 9.259 ( -0.732 2.234 -0.119) 2.354 9.337 ( -4.774 9.148 -4.592) 11.295 10.372 ( 3.865 5.471 -2.101) 7.020 10.383 ( 2.758 4.974 -0.596) 5.719 10.493 ( 4.211 -3.510 -4.218) 6.916 10.650 ( -6.294 2.468 -4.913) 8.357 10.712 ( 8.148 -9.125 1.371) 12.310 11.017 ( 2.689 -13.170 0.899) 13.472 11.543 ( 0.184 10.558 -6.561) 12.432 11.716 ( 2.408 1.784 -9.904) 10.348 11.770 ( -1.587 5.143 -8.178) 9.790 11.880 ( 1.528 3.365 -11.742) 12.310 12.015 ( -1.276 16.476 -6.725) 17.841 12.187 ( 4.039 -1.598 5.650) 7.127 12.233 ( -2.722 2.379 0.278) 3.626 12.631 ( -8.230 -3.061 5.082) 10.145 13.360 ( 5.608 5.120 12.074) 14.263 13.904 ( -25.032 -1.700 29.124) 38.441 15.126 ( 14.262 -23.843 1.033) 27.802 15.391 ( -2.066 -14.236 -1.312) 14.445 18.520 ( 0.379 8.804 0.160) 8.814 18.553 ( -1.067 11.916 -0.143) 11.965 18.689 ( 3.551 12.943 -0.872) 13.449 19.107 ( -21.482 40.210 -14.526) 47.847 20.197 ( 1.351 -1.203 -0.662) 1.927 20.265 ( -0.390 -1.348 2.157) 2.574 20.943 ( 3.624 -3.241 -3.681) 6.098 21.269 ( -5.215 -3.363 -6.655) 9.099 21.864 ( 9.123 0.985 -1.755) 9.342 22.112 ( 7.977 -0.817 -4.810) 9.350 22.308 ( -5.417 -0.437 -2.663) 6.052 22.448 ( -7.462 -1.344 -1.433) 7.716 22.767 ( 5.691 0.494 6.812) 8.890 22.958 ( -2.091 0.952 3.644) 4.308 23.588 ( 22.959 -18.747 0.400) 29.643 24.108 ( -5.125 -16.062 0.497) 16.867 ======================= Grid point 52 (21/75) ======================= q-point: (-0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -14.070 9.323 10.646) 19.955 1.399 ( 14.070 9.323 10.646) 19.955 1.468 ( -11.389 12.249 11.439) 20.263 1.468 ( 11.389 12.249 11.439) 20.263 2.580 ( -29.651 8.271 3.109) 30.939 2.580 ( 29.651 8.271 3.109) 30.939 2.751 ( -8.608 6.620 -0.260) 10.862 2.751 ( 8.608 6.620 -0.260) 10.862 3.014 ( -3.937 -5.314 0.717) 6.653 3.014 ( 3.937 -5.314 0.717) 6.653 3.468 ( -8.910 -2.680 -2.779) 9.711 3.468 ( 8.910 -2.680 -2.779) 9.711 3.635 ( -4.355 3.243 -3.683) 6.561 3.635 ( 4.355 3.243 -3.683) 6.561 3.917 ( -5.631 0.376 0.970) 5.727 3.917 ( 5.631 0.376 0.970) 5.727 4.228 ( -7.360 3.494 -1.522) 8.289 4.228 ( 7.360 3.494 -1.522) 8.289 4.502 ( -4.013 -2.426 -3.740) 5.998 4.502 ( 4.013 -2.426 -3.740) 5.998 4.789 ( -4.505 -3.110 -3.908) 6.726 4.789 ( 4.505 -3.110 -3.908) 6.726 4.860 ( -5.105 2.755 -1.365) 5.959 4.860 ( 5.105 2.755 -1.365) 5.959 4.959 ( -0.486 3.610 -1.029) 3.785 4.959 ( 0.486 3.610 -1.029) 3.785 5.460 ( -2.659 3.806 -0.645) 4.688 5.460 ( 2.659 3.806 -0.645) 4.688 5.623 ( -0.362 6.748 3.548) 7.633 5.623 ( 0.362 6.748 3.548) 7.633 5.926 ( -2.486 3.194 -1.775) 4.419 5.926 ( 2.486 3.194 -1.775) 4.419 6.520 ( -5.002 -4.598 2.586) 7.269 6.520 ( 5.002 -4.598 2.586) 7.269 6.643 ( -4.809 -6.244 -3.343) 8.561 6.643 ( 4.809 -6.244 -3.343) 8.561 7.005 ( -2.637 4.889 -2.480) 6.083 7.005 ( 2.637 4.889 -2.480) 6.083 7.393 ( -8.985 0.706 5.219) 10.415 7.393 ( 8.985 0.706 5.219) 10.415 7.639 ( -1.979 -4.640 -6.826) 8.488 7.639 ( 1.979 -4.640 -6.826) 8.488 8.013 ( -2.834 -0.471 2.025) 3.515 8.013 ( 2.834 -0.471 2.025) 3.515 8.374 ( -5.386 -4.772 -0.821) 7.242 8.374 ( 5.386 -4.772 -0.821) 7.242 8.603 ( -8.217 -12.505 -2.369) 15.150 8.603 ( 8.217 -12.505 -2.369) 15.150 9.260 ( -1.485 5.926 -0.719) 6.152 9.260 ( 1.485 5.926 -0.719) 6.152 10.458 ( -3.640 2.636 -1.560) 4.758 10.458 ( 3.640 2.636 -1.560) 4.758 10.489 ( -6.691 5.037 -2.034) 8.619 10.489 ( 6.691 5.037 -2.034) 8.619 10.954 ( -8.522 -17.410 -1.244) 19.424 10.954 ( 8.522 -17.410 -1.244) 19.424 11.625 ( -6.925 12.484 -1.487) 14.353 11.625 ( 6.925 12.484 -1.487) 14.353 11.820 ( -4.159 3.464 -15.292) 16.222 11.820 ( 4.159 3.464 -15.292) 16.222 12.108 ( -6.586 2.426 -2.086) 7.322 12.108 ( 6.586 2.426 -2.086) 7.322 12.401 ( -11.862 -2.409 3.793) 12.684 12.401 ( 11.862 -2.409 3.793) 12.684 13.536 ( -11.231 4.966 20.184) 23.626 13.536 ( 11.231 4.966 20.184) 23.626 15.316 ( -5.283 -17.445 -1.343) 18.277 15.316 ( 5.283 -17.445 -1.343) 18.277 18.533 ( -0.789 9.446 0.047) 9.479 18.533 ( 0.789 9.446 0.047) 9.479 18.809 ( -8.253 22.823 -3.089) 24.466 18.809 ( 8.253 22.823 -3.089) 24.466 20.234 ( -1.910 -1.234 1.188) 2.565 20.234 ( 1.910 -1.234 1.188) 2.565 21.090 ( -8.911 -3.632 -4.224) 10.509 21.090 ( 8.911 -3.632 -4.224) 10.509 22.064 ( -8.878 0.594 0.354) 8.905 22.064 ( 8.878 0.594 0.354) 8.905 22.324 ( -5.000 -1.183 -6.918) 8.618 22.324 ( 5.000 -1.183 -6.918) 8.618 22.889 ( -4.715 1.077 5.039) 6.984 22.889 ( 4.715 1.077 5.039) 6.984 23.940 ( -10.967 -15.525 -2.033) 19.116 23.940 ( 10.967 -15.525 -2.033) 19.116 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 22.667 12.330) 25.804 1.178 ( 0.000 22.219 10.231) 24.461 1.975 ( 0.000 18.814 8.401) 20.604 2.203 ( 0.000 21.632 11.770) 24.627 2.471 ( 0.000 21.413 3.060) 21.631 2.512 ( 0.000 2.892 1.928) 3.476 2.709 ( 0.000 -8.492 2.941) 8.986 2.742 ( 0.000 -6.332 -2.144) 6.685 2.932 ( 0.000 -9.703 4.099) 10.533 3.336 ( 0.000 -3.731 -0.093) 3.732 3.462 ( 0.000 -6.786 -0.871) 6.842 3.593 ( 0.000 10.829 -1.065) 10.881 3.637 ( 0.000 -0.880 -5.560) 5.629 3.706 ( 0.000 9.792 -10.997) 14.725 3.890 ( 0.000 6.935 -5.181) 8.657 4.202 ( 0.000 -9.046 -7.618) 11.827 4.234 ( 0.000 -0.987 0.493) 1.104 4.269 ( 0.000 5.778 -1.494) 5.968 4.457 ( 0.000 1.694 4.587) 4.890 4.526 ( 0.000 -5.154 -1.504) 5.369 4.566 ( 0.000 -5.709 -2.364) 6.179 4.792 ( 0.000 -1.642 -2.152) 2.707 4.854 ( 0.000 -6.560 4.749) 8.099 4.904 ( 0.000 -0.066 -3.798) 3.799 5.074 ( 0.000 8.105 -5.624) 9.865 5.206 ( 0.000 15.750 -3.807) 16.203 5.474 ( 0.000 4.229 -2.987) 5.178 5.668 ( 0.000 7.259 6.314) 9.621 5.706 ( 0.000 8.019 1.346) 8.131 5.826 ( 0.000 6.930 2.027) 7.220 5.929 ( 0.000 10.231 -4.786) 11.295 6.187 ( 0.000 5.179 1.672) 5.442 6.306 ( 0.000 -1.688 5.486) 5.740 6.361 ( 0.000 -5.458 -3.595) 6.536 6.520 ( 0.000 -6.828 -0.109) 6.829 6.591 ( 0.000 -1.873 -4.290) 4.681 7.050 ( 0.000 6.782 -5.853) 8.958 7.099 ( 0.000 0.563 -0.615) 0.834 7.316 ( 0.000 -9.456 -2.221) 9.714 7.381 ( 0.000 5.302 5.756) 7.826 7.496 ( 0.000 -12.618 -4.686) 13.460 7.810 ( 0.000 0.492 2.495) 2.543 7.851 ( 0.000 -7.966 4.121) 8.969 7.928 ( 0.000 -4.157 0.864) 4.246 8.106 ( 0.000 -6.707 1.882) 6.966 8.277 ( 0.000 0.555 -1.579) 1.673 8.318 ( 0.000 -11.836 -1.193) 11.896 8.453 ( 0.000 -4.944 -3.413) 6.008 9.331 ( 0.000 5.944 0.132) 5.946 9.533 ( 0.000 6.153 -5.361) 8.161 10.211 ( 0.000 -7.318 -1.219) 7.419 10.388 ( 0.000 -0.775 -4.603) 4.668 10.539 ( 0.000 9.609 -2.080) 9.832 10.611 ( 0.000 -0.557 -6.513) 6.537 10.666 ( 0.000 -12.538 3.351) 12.978 10.875 ( 0.000 2.911 4.385) 5.264 11.697 ( 0.000 4.891 -4.464) 6.622 11.727 ( 0.000 2.294 -7.686) 8.022 11.731 ( 0.000 -0.895 -5.124) 5.202 11.841 ( 0.000 0.359 -4.988) 5.001 12.086 ( 0.000 -1.894 5.152) 5.489 12.301 ( 0.000 -0.188 -5.444) 5.447 12.578 ( 0.000 16.332 -15.957) 22.833 12.655 ( 0.000 -2.456 9.962) 10.261 13.438 ( 0.000 10.753 6.235) 12.430 14.184 ( 0.000 -8.581 28.720) 29.975 14.455 ( 0.000 -10.046 -0.412) 10.054 15.100 ( 0.000 -18.383 0.640) 18.394 18.750 ( 0.000 15.173 -0.492) 15.181 18.839 ( 0.000 11.880 0.022) 11.880 18.916 ( 0.000 18.756 -1.471) 18.814 19.942 ( 0.000 -6.047 -10.667) 12.262 20.192 ( 0.000 -2.213 -0.102) 2.216 20.334 ( 0.000 14.351 -28.554) 31.958 20.996 ( 0.000 1.243 -5.078) 5.228 21.110 ( 0.000 -4.274 -5.441) 6.919 21.780 ( 0.000 1.477 0.311) 1.509 21.931 ( 0.000 -1.198 -0.740) 1.408 22.375 ( 0.000 -0.150 0.580) 0.599 22.537 ( 0.000 -3.776 0.643) 3.830 22.713 ( 0.000 -0.432 8.017) 8.029 22.821 ( 0.000 -9.525 22.558) 24.486 23.091 ( 0.000 4.164 3.655) 5.541 23.863 ( 0.000 -14.763 -0.487) 14.771 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 13.258 18.069 11.133) 25.024 1.374 ( 14.229 18.916 11.662) 26.387 1.910 ( -9.515 10.250 5.570) 15.054 2.159 ( -17.811 15.527 5.385) 24.234 2.352 ( 16.563 22.924 9.563) 29.855 2.667 ( 4.760 -1.577 -0.816) 5.080 2.775 ( 3.840 -6.948 3.217) 8.566 2.825 ( 7.226 1.021 0.889) 7.351 2.894 ( -3.650 -7.477 0.960) 8.375 3.191 ( -8.658 0.983 -3.403) 9.354 3.450 ( -2.744 4.470 -2.541) 5.829 3.642 ( 1.757 -0.027 -4.212) 4.563 3.669 ( 3.718 -2.663 2.695) 5.309 3.696 ( -6.212 6.610 -3.689) 9.793 3.854 ( 1.238 6.401 -7.516) 9.950 4.121 ( -9.204 7.076 0.730) 11.633 4.243 ( 1.384 -0.676 -3.140) 3.497 4.309 ( 3.708 2.308 -1.339) 4.568 4.412 ( -0.635 -1.945 -0.285) 2.066 4.497 ( -2.737 -4.020 -1.603) 5.121 4.599 ( 3.213 -5.636 -2.873) 7.095 4.753 ( -2.678 -4.288 -0.347) 5.068 4.860 ( -0.184 -5.422 2.729) 6.073 4.902 ( -0.791 -0.399 -2.327) 2.490 5.089 ( 1.479 10.347 -5.937) 12.021 5.182 ( -2.054 14.641 -4.193) 15.368 5.490 ( 1.457 3.955 -2.647) 4.977 5.588 ( -3.377 4.317 1.912) 5.805 5.760 ( 1.287 8.862 0.825) 8.993 5.817 ( -1.325 8.210 0.897) 8.364 5.977 ( 3.408 9.010 0.006) 9.633 6.117 ( -4.422 8.629 1.883) 9.877 6.318 ( 2.619 -5.044 3.032) 6.442 6.418 ( 3.991 -5.772 -2.422) 7.424 6.512 ( -1.682 -5.032 0.126) 5.307 6.572 ( -1.455 -4.773 -3.648) 6.181 7.047 ( -0.129 2.173 -4.025) 4.576 7.090 ( -1.202 0.020 -1.305) 1.774 7.335 ( 3.208 3.176 5.674) 7.251 7.432 ( 2.591 -4.082 -3.889) 6.204 7.498 ( -0.302 -10.778 -5.126) 11.939 7.642 ( -7.884 -1.744 3.477) 8.792 7.943 ( 2.419 -1.416 0.928) 2.953 7.999 ( 5.050 -3.373 2.895) 6.727 8.182 ( 5.174 -6.706 -0.709) 8.500 8.259 ( 0.003 -4.406 -0.480) 4.432 8.302 ( -1.758 -11.451 -0.646) 11.603 8.447 ( -1.410 -8.476 -2.740) 9.018 9.341 ( 1.124 6.787 -0.246) 6.883 9.480 ( -4.260 7.278 -3.716) 9.216 10.329 ( 7.878 -10.394 -2.164) 13.221 10.422 ( 2.920 -3.196 -5.032) 6.638 10.547 ( 0.666 7.053 -2.938) 7.669 10.613 ( 0.007 -0.414 -6.424) 6.438 10.637 ( -1.300 -5.441 3.475) 6.586 10.837 ( -3.747 -1.734 3.305) 5.289 11.707 ( 2.383 6.394 -2.838) 7.390 11.759 ( 2.282 2.663 -4.164) 5.444 11.786 ( 2.934 1.009 -9.289) 9.793 11.912 ( 6.452 0.720 -4.130) 7.694 12.139 ( 5.135 -3.146 5.819) 8.374 12.246 ( -4.936 0.929 -4.159) 6.521 12.372 ( -14.113 11.333 -8.445) 19.973 12.573 ( -8.590 -1.730 4.262) 9.744 13.516 ( 6.458 11.357 8.564) 15.621 13.921 ( -13.336 4.388 20.588) 24.919 14.721 ( 13.552 -18.571 2.682) 23.146 15.064 ( -3.433 -18.893 0.656) 19.213 18.750 ( 0.100 14.801 -0.386) 14.806 18.793 ( -2.257 13.396 -0.090) 13.585 19.018 ( 7.757 18.190 -2.212) 19.898 19.651 ( -21.486 12.244 -13.186) 28.025 20.188 ( 0.781 0.042 -1.603) 1.783 20.286 ( -3.109 7.044 -3.861) 8.614 20.851 ( 1.233 -6.275 -1.872) 6.663 21.176 ( -5.989 -6.296 -6.937) 11.119 21.891 ( 8.775 1.888 -1.957) 9.187 22.088 ( 8.995 -1.808 -5.335) 10.613 22.299 ( -6.097 -0.338 -0.689) 6.145 22.411 ( -6.568 -2.421 -0.130) 7.001 22.780 ( 6.695 0.982 7.378) 10.011 22.981 ( 1.405 0.854 3.443) 3.815 23.250 ( 17.470 -13.185 11.238) 24.603 23.802 ( -5.718 -15.657 0.092) 16.669 ======================= Grid point 57 (24/75) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -11.910 12.577 10.233) 20.119 1.589 ( 11.910 12.577 10.233) 20.119 1.767 ( -14.791 15.931 8.433) 23.317 1.767 ( 14.791 15.931 8.433) 23.317 2.723 ( -9.012 -3.965 -2.056) 10.058 2.723 ( 9.012 -3.965 -2.056) 10.058 2.780 ( -3.150 -2.311 0.842) 3.997 2.780 ( 3.150 -2.311 0.842) 3.997 3.006 ( -8.510 10.050 0.767) 13.191 3.006 ( 8.510 10.050 0.767) 13.191 3.476 ( -7.642 6.276 0.418) 9.898 3.476 ( 7.642 6.276 0.418) 9.898 3.682 ( -1.968 -1.600 -0.794) 2.658 3.682 ( 1.968 -1.600 -0.794) 2.658 3.953 ( -6.020 5.667 -1.800) 8.461 3.953 ( 6.020 5.667 -1.800) 8.461 4.310 ( -3.416 3.206 -3.394) 5.785 4.310 ( 3.416 3.206 -3.394) 5.785 4.439 ( -2.212 -2.684 -1.036) 3.629 4.439 ( 2.212 -2.684 -1.036) 3.629 4.683 ( -3.932 -6.152 -1.665) 7.489 4.683 ( 3.932 -6.152 -1.665) 7.489 4.869 ( -1.488 -2.614 0.142) 3.011 4.869 ( 1.488 -2.614 0.142) 3.011 5.132 ( -2.315 12.614 -5.166) 13.826 5.132 ( 2.315 12.614 -5.166) 13.826 5.531 ( -2.207 3.443 -1.505) 4.357 5.531 ( 2.207 3.443 -1.505) 4.357 5.783 ( -1.365 8.967 0.523) 9.085 5.783 ( 1.365 8.967 0.523) 9.085 6.038 ( -2.860 8.445 2.412) 9.237 6.038 ( 2.860 8.445 2.412) 9.237 6.418 ( -4.991 -5.533 0.598) 7.475 6.418 ( 4.991 -5.533 0.598) 7.475 6.521 ( -3.315 -5.860 -2.606) 7.219 6.521 ( 3.315 -5.860 -2.606) 7.219 7.058 ( -1.227 -0.222 -2.045) 2.395 7.058 ( 1.227 -0.222 -2.045) 2.395 7.429 ( -3.929 2.910 3.892) 6.250 7.429 ( 3.929 2.910 3.892) 6.250 7.513 ( -3.395 -7.675 -4.851) 9.693 7.513 ( 3.395 -7.675 -4.851) 9.693 8.014 ( -3.039 0.743 1.485) 3.463 8.014 ( 3.039 0.743 1.485) 3.463 8.246 ( -2.873 -9.340 -0.891) 9.813 8.246 ( 2.873 -9.340 -0.891) 9.813 8.363 ( -6.213 -10.928 -1.087) 12.618 8.363 ( 6.213 -10.928 -1.087) 12.618 9.389 ( -3.475 8.061 -1.465) 8.900 9.389 ( 3.475 8.061 -1.465) 8.900 10.441 ( -2.535 -8.383 -3.235) 9.336 10.441 ( 2.535 -8.383 -3.235) 9.336 10.576 ( -1.980 3.116 -4.264) 5.640 10.576 ( 1.980 3.116 -4.264) 5.640 10.717 ( -6.628 -3.847 1.400) 7.790 10.717 ( 6.628 -3.847 1.400) 7.790 11.756 ( -1.599 3.742 -3.872) 5.617 11.756 ( 1.599 3.742 -3.872) 5.617 11.944 ( -8.671 7.183 -5.655) 12.600 11.944 ( 8.671 7.183 -5.655) 12.600 12.150 ( -4.053 1.384 -1.681) 4.601 12.150 ( 4.053 1.384 -1.681) 4.601 12.342 ( -11.043 -3.419 2.224) 11.772 12.342 ( 11.043 -3.419 2.224) 11.772 13.686 ( -9.107 10.716 13.937) 19.799 13.686 ( 9.107 10.716 13.937) 19.799 14.947 ( -7.656 -19.890 1.040) 21.338 14.947 ( 7.656 -19.890 1.040) 21.338 18.759 ( -0.917 14.049 -0.189) 14.081 18.759 ( 0.917 14.049 -0.189) 14.081 19.250 ( -14.412 19.216 -5.527) 24.648 19.250 ( 14.412 19.216 -5.527) 24.648 20.225 ( -2.432 1.500 0.358) 2.880 20.225 ( 2.432 1.500 0.358) 2.880 20.986 ( -9.249 -7.342 -4.269) 12.557 20.986 ( 9.249 -7.342 -4.269) 12.557 22.083 ( -8.346 1.425 0.007) 8.466 22.083 ( 8.346 1.425 0.007) 8.466 22.290 ( -5.279 -2.370 -5.973) 8.316 22.290 ( 5.279 -2.370 -5.973) 8.316 22.923 ( -5.435 2.573 5.026) 7.838 22.923 ( 5.435 2.573 5.026) 7.838 23.605 ( -13.026 -17.663 3.078) 22.162 23.605 ( 13.026 -17.663 3.078) 22.162 ======================= Grid point 60 (25/75) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 23.976 5.964) 24.706 1.601 ( 0.000 21.698 4.665) 22.194 2.179 ( 0.000 6.150 3.307) 6.983 2.359 ( 0.000 -8.544 1.534) 8.681 2.381 ( 0.000 -15.132 -0.006) 15.132 2.614 ( 0.000 -7.580 9.176) 11.902 2.794 ( 0.000 15.813 -0.248) 15.815 2.822 ( 0.000 2.738 4.450) 5.225 2.978 ( 0.000 25.128 7.942) 26.353 3.231 ( 0.000 -5.362 7.466) 9.192 3.311 ( 0.000 -8.564 2.108) 8.819 3.611 ( 0.000 -1.686 -8.005) 8.180 3.785 ( 0.000 6.901 -1.604) 7.085 3.877 ( 0.000 5.889 -6.580) 8.830 3.971 ( 0.000 -0.223 -3.126) 3.134 4.058 ( 0.000 -4.348 -7.587) 8.745 4.232 ( 0.000 -0.909 -2.829) 2.972 4.288 ( 0.000 -2.285 -1.418) 2.689 4.449 ( 0.000 -4.096 -3.157) 5.171 4.452 ( 0.000 -1.068 1.919) 2.196 4.553 ( 0.000 8.107 1.340) 8.217 4.717 ( 0.000 -5.374 -2.972) 6.141 4.732 ( 0.000 -5.616 4.575) 7.243 4.864 ( 0.000 -4.579 -3.102) 5.531 5.322 ( 0.000 14.712 -6.168) 15.953 5.489 ( 0.000 13.041 -5.279) 14.069 5.553 ( 0.000 3.174 -4.680) 5.655 5.750 ( 0.000 0.463 1.742) 1.802 5.889 ( 0.000 9.602 2.320) 9.879 5.975 ( 0.000 9.976 0.851) 10.012 6.090 ( 0.000 5.651 -3.837) 6.830 6.188 ( 0.000 -0.961 0.123) 0.969 6.248 ( 0.000 -6.024 -1.602) 6.234 6.370 ( 0.000 -8.558 1.915) 8.769 6.447 ( 0.000 11.150 3.889) 11.809 6.586 ( 0.000 1.309 -5.741) 5.888 7.073 ( 0.000 -5.700 -1.448) 5.881 7.086 ( 0.000 -6.120 -7.327) 9.546 7.149 ( 0.000 -4.320 -0.132) 4.322 7.284 ( 0.000 -6.681 -5.450) 8.622 7.484 ( 0.000 5.869 6.748) 8.943 7.750 ( 0.000 -1.127 5.945) 6.051 7.785 ( 0.000 -3.893 1.187) 4.070 7.856 ( 0.000 -3.191 1.335) 3.459 7.996 ( 0.000 -4.510 1.017) 4.623 8.080 ( 0.000 -11.575 1.838) 11.720 8.294 ( 0.000 0.975 -2.482) 2.667 8.366 ( 0.000 -3.697 -3.350) 4.989 9.509 ( 0.000 12.769 -0.384) 12.775 9.669 ( 0.000 8.311 -3.963) 9.207 10.044 ( 0.000 -9.839 -1.983) 10.037 10.170 ( 0.000 -18.550 -3.593) 18.894 10.578 ( 0.000 1.851 0.996) 2.102 10.612 ( 0.000 0.314 -6.121) 6.129 10.727 ( 0.000 7.828 -1.680) 8.007 10.898 ( 0.000 -0.732 3.173) 3.256 11.715 ( 0.000 -0.407 -4.699) 4.717 11.723 ( 0.000 0.028 -4.188) 4.188 11.828 ( 0.000 5.792 -1.592) 6.007 11.865 ( 0.000 1.722 -1.553) 2.319 12.050 ( 0.000 -1.063 1.937) 2.210 12.230 ( 0.000 -6.698 -4.333) 7.978 12.660 ( 0.000 2.655 7.805) 8.244 12.740 ( 0.000 2.186 -4.852) 5.321 13.696 ( 0.000 15.224 1.632) 15.311 14.186 ( 0.000 7.264 16.183) 17.738 14.237 ( 0.000 -12.623 0.373) 12.628 14.744 ( 0.000 -18.538 2.886) 18.761 19.070 ( 0.000 11.498 0.073) 11.498 19.070 ( 0.000 17.658 -1.526) 17.724 19.204 ( 0.000 9.797 -1.098) 9.858 19.730 ( 0.000 -14.289 -3.442) 14.698 20.187 ( 0.000 2.774 -1.711) 3.259 20.438 ( 0.000 -2.793 -14.942) 15.201 21.019 ( 0.000 1.087 -7.178) 7.260 21.052 ( 0.000 -1.567 -10.207) 10.327 21.817 ( 0.000 2.287 -0.468) 2.334 21.902 ( 0.000 -1.827 -0.781) 1.987 22.378 ( 0.000 0.553 2.265) 2.332 22.456 ( 0.000 -3.914 4.818) 6.207 22.705 ( 0.000 -0.351 8.496) 8.503 22.722 ( 0.000 -2.192 13.692) 13.866 23.199 ( 0.000 7.260 2.151) 7.572 23.595 ( 0.000 -13.180 -0.488) 13.189 ======================= Grid point 61 (26/75) ======================= q-point: ( 0.25 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 8.093 20.713 5.721) 22.962 1.754 ( 10.548 20.368 7.058) 23.998 2.117 ( -6.792 11.255 4.934) 14.041 2.368 ( -3.175 -6.388 1.742) 7.343 2.388 ( -0.526 -5.026 1.492) 5.269 2.530 ( -4.731 -4.094 3.636) 7.237 2.613 ( -2.607 -12.333 7.067) 14.451 2.843 ( -8.769 -4.642 0.593) 9.940 3.055 ( 9.027 19.260 1.360) 21.314 3.279 ( 7.497 10.328 3.078) 13.128 3.465 ( 7.534 -3.774 2.851) 8.895 3.611 ( -0.440 -2.301 -6.633) 7.035 3.673 ( -6.038 4.379 -1.202) 7.555 3.868 ( -4.217 9.625 -3.269) 11.005 3.974 ( 3.100 2.864 -5.594) 7.007 4.121 ( 3.015 -3.589 -6.385) 7.921 4.250 ( 2.077 -5.020 0.125) 5.435 4.363 ( 1.504 -0.140 -1.372) 2.041 4.403 ( -3.479 3.602 3.497) 6.108 4.432 ( 0.149 1.094 -3.356) 3.534 4.538 ( 1.168 1.327 0.290) 1.792 4.667 ( -3.214 -4.336 -0.026) 5.397 4.756 ( 0.615 -5.313 1.614) 5.586 4.841 ( -2.246 -5.704 -1.399) 6.288 5.333 ( 1.104 13.442 -5.773) 14.671 5.447 ( -3.415 11.937 -5.097) 13.421 5.556 ( 0.443 2.406 -4.154) 4.821 5.653 ( -5.207 1.571 0.766) 5.493 5.919 ( 1.275 6.676 -1.736) 7.015 5.963 ( -0.874 8.379 -0.440) 8.436 6.138 ( -0.794 1.638 0.448) 1.875 6.208 ( 7.030 3.625 0.051) 7.910 6.283 ( -5.185 -2.184 1.518) 5.827 6.323 ( 4.146 -3.037 -1.227) 5.283 6.459 ( -0.512 3.261 3.049) 4.494 6.540 ( -3.817 1.194 -4.494) 6.016 7.007 ( -1.211 -4.563 -3.486) 5.868 7.079 ( -3.338 -0.181 -0.399) 3.366 7.222 ( 5.117 -12.496 -5.965) 14.762 7.311 ( 0.970 -8.520 -4.539) 9.702 7.493 ( 1.582 7.949 5.395) 9.736 7.659 ( -4.511 4.182 4.983) 7.917 7.894 ( 5.703 -8.091 2.087) 10.117 7.917 ( 5.203 -2.746 0.739) 5.930 8.021 ( 0.687 -7.990 1.867) 8.233 8.104 ( 3.189 -7.663 0.588) 8.321 8.225 ( -5.878 0.383 -2.182) 6.282 8.326 ( -3.712 -4.576 -2.427) 6.372 9.528 ( 1.761 12.857 -0.891) 13.008 9.642 ( -2.345 9.949 -3.249) 10.726 10.100 ( 4.079 -12.866 -2.402) 13.709 10.176 ( 0.365 -18.333 -3.399) 18.649 10.600 ( 2.081 2.412 0.225) 3.194 10.622 ( 0.905 1.222 -5.594) 5.798 10.710 ( -1.274 5.675 -2.709) 6.416 10.834 ( -5.185 -0.617 1.569) 5.452 11.764 ( 3.568 1.587 -3.711) 5.387 11.821 ( 8.274 0.868 -3.474) 9.015 11.853 ( 1.464 6.465 0.309) 6.636 11.933 ( 6.051 2.241 -2.803) 7.035 12.074 ( 3.654 -3.484 3.172) 5.962 12.186 ( -3.666 -6.348 -4.268) 8.482 12.494 ( -13.961 3.770 3.915) 14.981 12.579 ( -12.663 0.514 -1.146) 12.725 13.778 ( 6.561 15.329 4.056) 17.160 14.074 ( -5.944 11.063 10.900) 16.629 14.397 ( 9.141 -15.670 3.378) 18.454 14.701 ( -3.878 -18.717 2.682) 19.302 19.050 ( -0.849 13.557 -0.453) 13.591 19.062 ( -0.882 16.608 -0.883) 16.654 19.274 ( 5.843 6.747 -1.852) 9.115 19.634 ( -8.039 -9.485 -4.391) 13.187 20.222 ( 3.425 5.035 -1.680) 6.317 20.471 ( -0.230 5.322 -11.815) 12.960 20.743 ( -8.597 -1.633 -0.175) 8.752 21.035 ( -8.561 -8.441 -7.063) 13.943 21.934 ( 8.607 2.599 -2.423) 9.312 22.044 ( 9.397 -2.731 -4.789) 10.895 22.300 ( -6.299 0.545 1.063) 6.411 22.362 ( -5.735 -2.499 1.107) 6.353 22.806 ( 8.565 1.772 8.096) 11.918 22.936 ( 13.613 -5.069 8.935) 17.054 23.168 ( -2.102 3.650 5.128) 6.635 23.523 ( -6.730 -13.380 0.808) 14.999 ======================= Grid point 62 (27/75) ======================= q-point: (-0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -9.994 16.380 7.347) 20.546 1.871 ( 9.994 16.380 7.347) 20.546 2.066 ( -13.382 15.699 6.111) 21.515 2.066 ( 13.382 15.699 6.111) 21.515 2.502 ( -6.330 -14.764 2.262) 16.222 2.502 ( 6.330 -14.764 2.262) 16.222 2.639 ( -8.118 -12.013 1.883) 14.620 2.639 ( 8.118 -12.013 1.883) 14.620 3.271 ( -8.230 13.059 -6.273) 16.662 3.271 ( 8.230 13.059 -6.273) 16.662 3.596 ( -0.954 -6.005 -0.863) 6.142 3.596 ( 0.954 -6.005 -0.863) 6.142 3.698 ( -10.339 15.038 3.112) 18.513 3.698 ( 10.339 15.038 3.112) 18.513 4.081 ( -5.692 4.120 -5.512) 8.931 4.081 ( 5.692 4.120 -5.512) 8.931 4.289 ( -2.695 -2.610 1.731) 4.132 4.289 ( 2.695 -2.610 1.731) 4.132 4.449 ( -1.234 0.961 -1.409) 2.105 4.449 ( 1.234 0.961 -1.409) 2.105 4.586 ( -3.500 -2.296 -0.699) 4.244 4.586 ( 3.500 -2.296 -0.699) 4.244 4.782 ( -2.383 -6.059 1.247) 6.629 4.782 ( 2.383 -6.059 1.247) 6.629 5.374 ( -2.807 11.645 -5.206) 13.061 5.374 ( 2.807 11.645 -5.206) 13.061 5.579 ( -1.920 0.978 -2.510) 3.308 5.579 ( 1.920 0.978 -2.510) 3.308 5.943 ( -0.997 7.711 -1.796) 7.980 5.943 ( 0.997 7.711 -1.796) 7.980 6.165 ( -3.522 0.286 1.324) 3.774 6.165 ( 3.522 0.286 1.324) 3.774 6.361 ( -3.490 2.276 0.990) 4.282 6.361 ( 3.490 2.276 0.990) 4.282 6.452 ( -2.680 -0.762 -1.840) 3.339 6.452 ( 2.680 -0.762 -1.840) 3.339 7.018 ( -1.918 -1.889 -1.949) 3.324 7.018 ( 1.918 -1.889 -1.949) 3.324 7.299 ( -2.035 -11.853 -5.138) 13.078 7.299 ( 2.035 -11.853 -5.138) 13.078 7.563 ( -4.302 8.196 4.646) 10.357 7.563 ( 4.302 8.196 4.646) 10.357 7.990 ( -3.026 -11.126 2.311) 11.760 7.990 ( 3.026 -11.126 2.311) 11.760 8.067 ( -7.803 0.090 -1.101) 7.880 8.067 ( 7.803 0.090 -1.101) 7.880 8.217 ( -5.890 -5.560 -0.933) 8.153 8.217 ( 5.890 -5.560 -0.933) 8.153 9.581 ( -2.959 12.237 -2.001) 12.747 9.581 ( 2.959 12.237 -2.001) 12.747 10.168 ( -1.628 -16.852 -2.901) 17.177 10.168 ( 1.628 -16.852 -2.901) 17.177 10.641 ( -0.563 3.643 -3.379) 5.000 10.641 ( 0.563 3.643 -3.379) 5.000 10.719 ( -4.005 0.451 -1.209) 4.208 10.719 ( 4.005 0.451 -1.209) 4.208 11.834 ( -2.459 4.842 -2.297) 5.896 11.834 ( 2.459 4.842 -2.297) 5.896 12.016 ( -4.331 -0.889 -1.294) 4.607 12.016 ( 4.331 -0.889 -1.294) 4.607 12.170 ( -10.656 2.107 1.160) 10.924 12.170 ( 10.656 2.107 1.160) 10.924 12.285 ( -12.662 -2.627 0.014) 12.932 12.285 ( 12.662 -2.627 0.014) 12.932 13.933 ( -7.180 14.864 7.973) 18.332 13.933 ( 7.180 14.864 7.973) 18.332 14.580 ( -7.333 -18.592 2.473) 20.139 14.580 ( 7.333 -18.592 2.473) 20.139 19.045 ( -0.437 15.261 -0.630) 15.281 19.045 ( 0.437 15.261 -0.630) 15.281 19.438 ( -9.035 0.073 -3.587) 9.722 19.438 ( 9.035 0.073 -3.587) 9.722 20.340 ( -7.491 10.658 -2.239) 13.218 20.340 ( 7.491 10.658 -2.239) 13.218 20.812 ( -9.911 -10.816 -4.254) 15.274 20.812 ( 9.911 -10.816 -4.254) 15.274 22.120 ( -7.642 2.422 -0.870) 8.064 22.120 ( 7.642 2.422 -0.870) 8.064 22.236 ( -5.925 -3.189 -4.331) 8.002 22.236 ( 5.925 -3.189 -4.331) 8.002 22.991 ( -7.141 4.767 5.254) 10.066 22.991 ( 7.141 4.767 5.254) 10.066 23.310 ( -12.488 -12.947 5.450) 18.796 23.310 ( 12.488 -12.947 5.450) 18.796 ======================= Grid point 65 (28/75) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.000 -4.419 0.703) 4.475 1.961 ( 0.000 4.419 0.703) 4.475 2.054 ( 0.000 -7.334 2.635) 7.793 2.054 ( 0.000 7.334 2.635) 7.793 2.422 ( 0.000 -10.252 6.774) 12.287 2.422 ( 0.000 10.252 6.774) 12.287 2.926 ( 0.000 -3.153 2.232) 3.863 2.926 ( 0.000 3.153 2.232) 3.863 3.164 ( 0.000 -5.003 6.071) 7.867 3.164 ( 0.000 5.003 6.071) 7.867 3.463 ( 0.000 -17.466 0.389) 17.471 3.463 ( 0.000 17.466 0.389) 17.471 3.842 ( 0.000 -2.865 -1.019) 3.040 3.842 ( 0.000 2.865 -1.019) 3.040 4.015 ( 0.000 -3.452 -7.325) 8.098 4.015 ( 0.000 3.452 -7.325) 8.098 4.239 ( 0.000 -3.281 -0.075) 3.281 4.239 ( 0.000 3.281 -0.075) 3.281 4.440 ( 0.000 -2.316 -3.697) 4.363 4.440 ( 0.000 2.316 -3.697) 4.363 4.654 ( 0.000 -0.641 0.648) 0.912 4.654 ( 0.000 0.641 0.648) 0.912 4.734 ( 0.000 -8.591 -0.991) 8.648 4.734 ( 0.000 8.591 -0.991) 8.648 5.533 ( 0.000 -6.033 -5.978) 8.493 5.533 ( 0.000 6.033 -5.978) 8.493 5.686 ( 0.000 -6.976 -2.800) 7.517 5.686 ( 0.000 6.976 -2.800) 7.517 6.053 ( 0.000 -7.752 -0.920) 7.806 6.053 ( 0.000 7.752 -0.920) 7.806 6.178 ( 0.000 -6.663 2.235) 7.028 6.178 ( 0.000 6.663 2.235) 7.028 6.205 ( 0.000 -4.926 -1.044) 5.036 6.205 ( 0.000 4.926 -1.044) 5.036 6.603 ( 0.000 -2.643 -1.630) 3.105 6.603 ( 0.000 2.643 -1.630) 3.105 6.966 ( 0.000 -0.317 -5.054) 5.063 6.966 ( 0.000 0.317 -5.054) 5.063 7.174 ( 0.000 -4.895 -0.086) 4.895 7.174 ( 0.000 4.895 -0.086) 4.895 7.645 ( 0.000 -9.793 1.112) 9.856 7.645 ( 0.000 9.793 1.112) 9.856 7.792 ( 0.000 -3.873 5.313) 6.575 7.792 ( 0.000 3.873 5.313) 6.575 7.953 ( 0.000 -1.059 1.580) 1.902 7.953 ( 0.000 1.059 1.580) 1.902 8.317 ( 0.000 -1.638 -2.926) 3.353 8.317 ( 0.000 1.638 -2.926) 3.353 9.800 ( 0.000 -14.020 -2.527) 14.246 9.800 ( 0.000 14.020 -2.527) 14.246 9.857 ( 0.000 -6.123 -1.882) 6.405 9.857 ( 0.000 6.123 -1.882) 6.405 10.610 ( 0.000 -0.881 -3.540) 3.648 10.610 ( 0.000 0.881 -3.540) 3.648 10.846 ( 0.000 -4.583 0.477) 4.608 10.846 ( 0.000 4.583 0.477) 4.608 11.717 ( 0.000 -0.414 -3.485) 3.509 11.717 ( 0.000 0.414 -3.485) 3.509 11.889 ( 0.000 -0.030 0.747) 0.747 11.889 ( 0.000 0.030 0.747) 0.747 12.093 ( 0.000 -6.132 -2.526) 6.632 12.093 ( 0.000 6.132 -2.526) 6.632 12.722 ( 0.000 -2.965 2.950) 4.183 12.722 ( 0.000 2.965 2.950) 4.183 13.980 ( 0.000 -14.276 0.667) 14.292 13.980 ( 0.000 14.276 0.667) 14.292 14.413 ( 0.000 -15.516 7.313) 17.153 14.413 ( 0.000 15.516 7.313) 17.153 19.234 ( 0.000 -4.191 -0.732) 4.254 19.234 ( 0.000 4.191 -0.732) 4.254 19.424 ( 0.000 -17.132 -1.678) 17.214 19.424 ( 0.000 17.132 -1.678) 17.214 20.307 ( 0.000 -8.617 -5.644) 10.301 20.307 ( 0.000 8.617 -5.644) 10.301 21.035 ( 0.000 -0.624 -9.892) 9.912 21.035 ( 0.000 0.624 -9.892) 9.912 21.862 ( 0.000 -2.311 -0.820) 2.452 21.862 ( 0.000 2.311 -0.820) 2.452 22.400 ( 0.000 -1.963 4.180) 4.618 22.400 ( 0.000 1.963 4.180) 4.618 22.703 ( 0.000 -0.253 9.755) 9.758 22.703 ( 0.000 0.253 9.755) 9.758 23.368 ( 0.000 -10.462 0.697) 10.485 23.368 ( 0.000 10.462 0.697) 10.485 ======================= Grid point 67 (29/75) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 5.837 -16.874 1.823) 17.948 2.020 ( 5.837 16.874 1.823) 17.948 2.140 ( 7.032 -16.315 3.353) 18.080 2.140 ( 7.032 16.315 3.353) 18.080 2.370 ( -4.721 -12.433 6.422) 14.769 2.370 ( -4.721 12.433 6.422) 14.769 2.677 ( -15.564 -10.766 3.931) 19.328 2.677 ( -15.564 10.766 3.931) 19.328 3.313 ( 7.787 -8.628 1.245) 11.689 3.313 ( 7.787 8.628 1.245) 11.689 3.531 ( 2.249 -7.708 -4.273) 9.096 3.531 ( 2.249 7.708 -4.273) 9.096 3.832 ( 2.825 -12.554 2.039) 13.028 3.832 ( 2.825 12.554 2.039) 13.028 4.035 ( 0.340 -7.097 -5.263) 8.842 4.035 ( 0.340 7.097 -5.263) 8.842 4.259 ( 2.341 -6.001 -0.819) 6.493 4.259 ( 2.341 6.001 -0.819) 6.493 4.462 ( -0.120 -2.360 -2.095) 3.158 4.462 ( -0.120 2.360 -2.095) 3.158 4.631 ( -1.241 -2.891 0.102) 3.147 4.631 ( -1.241 2.891 0.102) 3.147 4.708 ( -2.124 -5.799 0.800) 6.227 4.708 ( -2.124 5.799 0.800) 6.227 5.528 ( -0.261 -5.510 -5.412) 7.728 5.528 ( -0.261 5.510 -5.412) 7.728 5.621 ( -4.744 -5.066 -2.020) 7.229 5.621 ( -4.744 5.066 -2.020) 7.229 6.034 ( 0.300 -5.761 -3.270) 6.631 6.034 ( 0.300 5.761 -3.270) 6.631 6.147 ( -2.749 -8.298 1.521) 8.873 6.147 ( -2.749 8.298 1.521) 8.873 6.304 ( 6.507 -2.066 -0.157) 6.828 6.304 ( 6.507 2.066 -0.157) 6.828 6.548 ( -4.351 -3.003 -0.812) 5.349 6.548 ( -4.351 3.003 -0.812) 5.349 7.009 ( 3.209 -7.168 -4.767) 9.187 7.009 ( 3.209 7.168 -4.767) 9.187 7.143 ( -2.486 -7.294 -1.197) 7.798 7.143 ( -2.486 7.294 -1.197) 7.798 7.683 ( 3.087 -10.733 1.980) 11.343 7.683 ( 3.087 10.733 1.980) 11.343 7.790 ( -0.655 -7.106 4.956) 8.688 7.790 ( -0.655 7.106 4.956) 8.688 8.002 ( 4.399 -3.346 0.565) 5.555 8.002 ( 4.399 3.346 0.565) 5.555 8.258 ( -5.060 -2.732 -2.310) 6.197 8.258 ( -5.060 2.732 -2.310) 6.197 9.818 ( 1.476 -14.656 -2.490) 14.939 9.818 ( 1.476 14.656 -2.490) 14.939 9.862 ( 0.163 -9.737 -2.121) 9.966 9.862 ( 0.163 9.737 -2.121) 9.966 10.631 ( 2.087 -0.525 -3.473) 4.085 10.631 ( 2.087 0.525 -3.473) 4.085 10.796 ( -4.067 -3.304 -0.936) 5.323 10.796 ( -4.067 3.304 -0.936) 5.323 11.802 ( 6.491 -2.078 -1.988) 7.099 11.802 ( 6.491 2.078 -1.988) 7.099 11.961 ( 6.560 -2.905 2.548) 7.613 11.961 ( 6.560 2.905 2.548) 7.613 12.057 ( -2.614 -4.885 -3.869) 6.757 12.057 ( -2.614 4.885 -3.869) 6.757 12.557 ( -13.530 -2.619 2.306) 13.972 12.557 ( -13.530 2.619 2.306) 13.972 14.073 ( 7.304 -14.944 1.930) 16.745 14.073 ( 7.304 14.944 1.930) 16.745 14.367 ( -4.226 -15.629 6.472) 17.436 14.367 ( -4.226 15.629 6.472) 17.436 19.253 ( 1.823 -6.676 -0.989) 6.991 19.253 ( 1.823 6.676 -0.989) 6.991 19.386 ( -3.189 -15.199 -1.769) 15.631 19.386 ( -3.189 15.199 -1.769) 15.631 20.380 ( 6.610 -9.875 -4.731) 12.790 20.380 ( 6.610 9.875 -4.731) 12.790 20.860 ( -13.038 -9.624 -6.076) 17.307 20.860 ( -13.038 9.624 -6.076) 17.307 21.988 ( 8.936 -2.975 -3.420) 10.020 21.988 ( 8.936 2.975 -3.420) 10.020 22.322 ( -5.824 -1.690 1.543) 6.258 22.322 ( -5.824 1.690 1.543) 6.258 22.853 ( 11.448 -3.313 9.079) 14.982 22.853 ( 11.448 3.313 9.079) 14.982 23.302 ( -6.110 -9.588 2.129) 11.567 23.302 ( -6.110 9.588 2.129) 11.567 ======================= Grid point 69 (30/75) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -7.677 -16.053 4.513) 18.357 2.188 ( 7.368 -16.017 4.513) 18.198 2.188 ( -7.368 16.017 4.513) 18.198 2.188 ( 7.677 16.053 4.513) 18.357 2.373 ( -10.689 -14.581 4.029) 18.522 2.373 ( 9.308 -14.342 4.029) 17.566 2.373 ( -9.308 14.342 4.029) 17.566 2.373 ( 10.689 14.581 4.029) 18.522 3.466 ( -5.059 -7.698 -4.360) 10.192 3.466 ( 1.964 -7.337 -4.360) 8.758 3.466 ( -1.964 7.337 -4.360) 8.758 3.466 ( 5.059 7.698 -4.360) 10.192 3.976 ( -6.408 -12.559 -0.444) 14.106 3.976 ( 6.407 -12.559 -0.444) 14.106 3.976 ( -6.407 12.559 -0.444) 14.106 3.976 ( 6.408 12.559 -0.444) 14.106 4.362 ( -6.788 -7.601 -0.544) 10.205 4.362 ( 6.034 -7.440 -0.544) 9.595 4.362 ( -6.034 7.440 -0.544) 9.595 4.362 ( 6.788 7.601 -0.544) 10.205 4.654 ( -1.368 -6.672 1.008) 6.885 4.654 ( 0.516 -6.642 1.008) 6.738 4.654 ( -0.516 6.642 1.008) 6.738 4.654 ( 1.368 6.672 1.008) 6.885 5.541 ( -1.765 -5.383 -3.620) 6.723 5.541 ( 1.511 -5.364 -3.620) 6.646 5.541 ( -1.511 5.364 -3.620) 6.646 5.541 ( 1.765 5.383 -3.620) 6.723 6.077 ( -2.837 -6.456 -1.778) 7.273 6.077 ( 2.268 -6.400 -1.778) 7.019 6.077 ( -2.268 6.400 -1.778) 7.019 6.077 ( 2.837 6.456 -1.778) 7.273 6.438 ( -4.869 -2.582 0.154) 5.513 6.438 ( -2.791 -1.639 0.154) 3.240 6.438 ( 2.791 1.639 0.154) 3.240 6.438 ( 4.869 2.582 0.154) 5.513 7.080 ( -3.123 -9.108 -3.280) 10.172 7.080 ( 3.025 -9.100 -3.280) 10.135 7.080 ( -3.025 9.100 -3.280) 10.135 7.080 ( 3.123 9.108 -3.280) 10.172 7.752 ( -2.589 -11.595 3.512) 12.389 7.752 ( 2.473 -11.588 3.512) 12.359 7.752 ( -2.473 11.588 3.512) 12.359 7.752 ( 2.589 11.595 3.512) 12.389 8.126 ( -6.555 -4.167 -0.923) 7.822 8.126 ( 5.563 -3.790 -0.923) 6.795 8.126 ( -5.563 3.790 -0.923) 6.795 8.126 ( 6.555 4.167 -0.923) 7.822 9.851 ( -1.088 -15.815 -2.397) 16.033 9.851 ( 1.064 -15.815 -2.397) 16.031 9.851 ( -1.064 15.815 -2.397) 16.031 9.851 ( 1.088 15.815 -2.397) 16.033 10.701 ( -3.573 -1.998 -2.785) 4.952 10.701 ( -1.883 -1.298 -2.785) 3.604 10.701 ( 1.883 1.298 -2.785) 3.604 10.701 ( 3.573 1.998 -2.785) 4.952 11.938 ( -5.392 -5.614 -0.274) 7.788 11.938 ( 3.632 -5.248 -0.274) 6.388 11.938 ( -3.632 5.248 -0.274) 6.388 11.938 ( 5.392 5.614 -0.274) 7.788 12.230 ( -14.943 -3.277 0.382) 15.302 12.230 ( -14.816 3.129 0.382) 15.147 12.230 ( 14.816 -3.129 0.382) 15.147 12.230 ( 14.943 3.277 0.382) 15.302 14.239 ( -6.877 -17.048 4.359) 18.893 14.239 ( 6.317 -16.994 4.359) 18.647 14.239 ( -6.317 16.994 4.359) 18.647 14.239 ( 6.877 17.048 4.359) 18.893 19.310 ( -3.230 -11.610 -1.521) 12.147 19.310 ( 3.132 -11.604 -1.521) 12.115 19.310 ( -3.132 11.604 -1.521) 12.115 19.310 ( 3.230 11.610 -1.521) 12.147 20.580 ( -11.005 -13.006 -3.898) 17.477 20.580 ( 7.773 -12.409 -3.898) 15.152 20.580 ( -7.773 12.409 -3.898) 15.152 20.580 ( 11.005 13.006 -3.898) 17.477 22.174 ( -7.647 -3.044 -2.411) 8.577 22.174 ( -4.685 0.369 -2.411) 5.282 22.174 ( 4.685 -0.369 -2.411) 5.282 22.174 ( 7.647 3.044 -2.411) 8.577 23.111 ( -10.738 -7.918 5.663) 14.494 23.111 ( 3.767 -6.117 5.663) 9.147 23.111 ( -3.767 6.117 5.663) 9.147 23.111 ( 10.738 7.918 5.663) 14.494 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 0.000 25.370) 25.370 1.150 ( 0.000 0.000 25.607) 25.607 1.912 ( 0.000 0.000 7.817) 7.817 1.918 ( 0.000 0.000 30.037) 30.037 2.225 ( 0.000 0.000 16.365) 16.365 2.318 ( 0.000 0.000 -3.484) 3.484 2.908 ( 0.000 0.000 -7.259) 7.259 2.912 ( 0.000 0.000 -1.140) 1.140 2.988 ( 0.000 0.000 -2.160) 2.160 3.053 ( 0.000 0.000 -6.716) 6.716 3.227 ( 0.000 0.000 -10.221) 10.221 3.400 ( 0.000 0.000 -14.547) 14.547 3.473 ( 0.000 0.000 -1.864) 1.864 3.616 ( 0.000 0.000 2.339) 2.339 3.701 ( 0.000 0.000 -2.042) 2.042 4.155 ( 0.000 0.000 -4.119) 4.119 4.229 ( 0.000 0.000 -0.148) 0.148 4.437 ( 0.000 0.000 -9.126) 9.126 4.484 ( 0.000 0.000 12.694) 12.694 4.512 ( 0.000 0.000 -3.377) 3.377 4.535 ( 0.000 0.000 -5.358) 5.358 4.725 ( 0.000 0.000 -3.186) 3.186 4.759 ( 0.000 0.000 0.490) 0.490 4.789 ( 0.000 0.000 -10.265) 10.265 4.977 ( 0.000 0.000 -0.499) 0.499 5.070 ( 0.000 0.000 1.397) 1.397 5.359 ( 0.000 0.000 1.310) 1.310 5.543 ( 0.000 0.000 1.925) 1.925 5.637 ( 0.000 0.000 5.433) 5.433 5.676 ( 0.000 0.000 5.924) 5.924 5.697 ( 0.000 0.000 3.118) 3.118 6.039 ( 0.000 0.000 -0.620) 0.620 6.306 ( 0.000 0.000 -9.083) 9.083 6.563 ( 0.000 0.000 -8.942) 8.942 6.649 ( 0.000 0.000 -2.608) 2.608 6.668 ( 0.000 0.000 -0.641) 0.641 6.791 ( 0.000 0.000 -1.490) 1.490 6.942 ( 0.000 0.000 -5.814) 5.814 7.295 ( 0.000 0.000 10.224) 10.224 7.496 ( 0.000 0.000 -1.056) 1.056 7.686 ( 0.000 0.000 -6.760) 6.760 7.854 ( 0.000 0.000 3.681) 3.681 8.037 ( 0.000 0.000 0.145) 0.145 8.089 ( 0.000 0.000 -1.041) 1.041 8.135 ( 0.000 0.000 -0.665) 0.665 8.434 ( 0.000 0.000 -5.869) 5.869 8.508 ( 0.000 0.000 -5.053) 5.053 8.587 ( 0.000 0.000 -4.971) 4.971 9.142 ( 0.000 0.000 3.047) 3.047 9.271 ( 0.000 0.000 1.257) 1.257 10.189 ( 0.000 0.000 -2.743) 2.743 10.319 ( 0.000 0.000 -0.787) 0.787 10.337 ( 0.000 0.000 0.545) 0.545 10.580 ( 0.000 0.000 -7.886) 7.886 10.801 ( 0.000 0.000 4.364) 4.364 11.029 ( 0.000 0.000 6.796) 6.796 11.238 ( 0.000 0.000 -7.431) 7.431 11.616 ( 0.000 0.000 -10.709) 10.709 11.658 ( 0.000 0.000 -2.803) 2.803 11.689 ( 0.000 0.000 -2.987) 2.987 11.742 ( 0.000 0.000 2.483) 2.483 12.187 ( 0.000 0.000 -3.288) 3.288 12.415 ( 0.000 0.000 11.917) 11.917 12.888 ( 0.000 0.000 4.995) 4.995 13.499 ( 0.000 0.000 13.973) 13.973 14.619 ( 0.000 0.000 -2.972) 2.972 15.283 ( 0.000 0.000 -0.933) 0.933 15.476 ( 0.000 0.000 -4.608) 4.608 18.423 ( 0.000 0.000 0.925) 0.925 18.445 ( 0.000 0.000 0.938) 0.938 18.550 ( 0.000 0.000 -0.842) 0.842 18.566 ( 0.000 0.000 -0.653) 0.653 20.224 ( 0.000 0.000 0.697) 0.697 20.273 ( 0.000 0.000 0.915) 0.915 20.879 ( 0.000 0.000 -4.181) 4.181 21.159 ( 0.000 0.000 -3.916) 3.916 21.781 ( 0.000 0.000 1.356) 1.356 21.938 ( 0.000 0.000 -0.692) 0.692 22.365 ( 0.000 0.000 -0.732) 0.732 22.529 ( 0.000 0.000 -3.734) 3.734 22.913 ( 0.000 0.000 10.498) 10.498 23.165 ( 0.000 0.000 7.370) 7.370 23.378 ( 0.000 0.000 0.753) 0.753 24.210 ( 0.000 0.000 -12.095) 12.095 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 11.186 0.000 21.334) 24.089 1.397 ( 17.309 0.000 21.663) 27.729 1.782 ( -10.605 0.000 9.579) 14.291 1.942 ( -3.630 0.000 16.388) 16.785 2.287 ( 11.848 0.000 22.909) 25.792 2.401 ( 6.453 0.000 -3.916) 7.548 2.757 ( -9.229 0.000 -5.935) 10.973 2.839 ( -3.429 0.000 -8.555) 9.217 3.024 ( -2.521 0.000 -3.527) 4.336 3.173 ( 1.381 0.000 4.552) 4.757 3.175 ( 6.679 0.000 -8.935) 11.155 3.373 ( -2.463 0.000 -13.585) 13.807 3.624 ( 2.423 0.000 -0.466) 2.467 3.642 ( 5.738 0.000 -3.296) 6.617 3.757 ( 4.965 0.000 -1.250) 5.120 4.053 ( -6.761 0.000 -0.127) 6.762 4.281 ( -15.019 0.000 14.697) 21.013 4.305 ( 4.333 0.000 -5.635) 7.108 4.436 ( -8.238 0.000 -0.569) 8.258 4.436 ( -0.774 0.000 -7.233) 7.274 4.543 ( 3.197 0.000 -5.400) 6.276 4.675 ( 2.735 0.000 -7.414) 7.903 4.744 ( -3.900 0.000 -9.265) 10.052 4.820 ( 2.066 0.000 -1.698) 2.674 4.963 ( -2.389 0.000 -2.061) 3.155 5.031 ( -3.195 0.000 1.796) 3.665 5.378 ( 1.716 0.000 1.619) 2.360 5.504 ( -3.140 0.000 2.377) 3.938 5.647 ( 0.691 0.000 5.491) 5.534 5.674 ( -0.281 0.000 5.341) 5.349 5.789 ( 5.637 0.000 1.617) 5.864 5.964 ( -4.599 0.000 1.750) 4.921 6.418 ( 8.378 0.000 -7.994) 11.580 6.549 ( 0.580 0.000 -3.244) 3.295 6.632 ( -0.513 0.000 -2.807) 2.853 6.700 ( -0.800 0.000 -4.744) 4.811 6.819 ( 2.290 0.000 -2.176) 3.159 6.922 ( -1.697 0.000 -4.973) 5.254 7.357 ( 5.595 0.000 9.243) 10.805 7.516 ( 1.238 0.000 -3.364) 3.585 7.627 ( -4.431 0.000 -5.864) 7.350 7.724 ( -9.236 0.000 4.944) 10.476 8.006 ( -0.206 0.000 0.663) 0.694 8.079 ( -0.930 0.000 -0.771) 1.208 8.238 ( 6.883 0.000 -1.732) 7.097 8.474 ( -3.147 0.000 -4.625) 5.594 8.479 ( 5.919 0.000 -2.520) 6.433 8.710 ( 3.097 0.000 -11.145) 11.567 9.163 ( 1.757 0.000 2.850) 3.348 9.253 ( -1.568 0.000 1.584) 2.229 10.230 ( 3.742 0.000 -3.042) 4.822 10.363 ( 3.481 0.000 0.203) 3.486 10.453 ( 5.733 0.000 -3.362) 6.646 10.492 ( -6.700 0.000 -5.716) 8.807 10.855 ( 8.092 0.000 -0.400) 8.102 11.128 ( 7.710 0.000 4.440) 8.897 11.256 ( -0.066 0.000 -9.447) 9.447 11.516 ( -9.249 0.000 0.540) 9.264 11.581 ( -2.451 0.000 -8.168) 8.528 11.631 ( -2.272 0.000 -4.045) 4.639 11.899 ( 7.800 0.000 -0.974) 7.860 12.151 ( -3.307 0.000 -2.991) 4.459 12.438 ( 2.878 0.000 11.059) 11.428 12.773 ( -9.161 0.000 5.522) 10.697 13.616 ( 9.882 0.000 15.065) 18.017 14.325 ( -21.013 0.000 9.742) 23.161 15.335 ( 3.551 0.000 -4.900) 6.051 15.466 ( -1.435 0.000 -4.901) 5.107 18.426 ( 0.273 0.000 0.915) 0.955 18.441 ( -0.296 0.000 0.921) 0.967 18.553 ( 0.227 0.000 -0.800) 0.832 18.564 ( -0.196 0.000 -0.669) 0.697 20.220 ( 1.774 0.000 1.056) 2.064 20.335 ( 1.056 0.000 2.581) 2.789 20.866 ( 2.517 0.000 -5.344) 5.907 21.162 ( -3.472 0.000 -6.665) 7.515 21.842 ( 6.846 0.000 0.292) 6.852 22.032 ( 7.298 0.000 -3.638) 8.155 22.274 ( -8.182 0.000 -0.920) 8.233 22.405 ( -9.300 0.000 -3.038) 9.783 22.933 ( 3.064 0.000 9.530) 10.010 23.078 ( -3.061 0.000 7.278) 7.896 23.668 ( 16.870 0.000 -3.121) 17.156 24.156 ( -5.187 0.000 -9.881) 11.160 ======================= Grid point 92 (33/75) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -14.080 0.000 14.541) 20.241 1.507 ( 14.080 0.000 14.541) 20.241 1.735 ( -13.369 0.000 18.073) 22.480 1.735 ( 13.369 0.000 18.073) 22.480 2.564 ( -8.446 0.000 -4.898) 9.764 2.564 ( 8.446 0.000 -4.898) 9.764 2.653 ( -15.221 0.000 -0.095) 15.221 2.653 ( 15.221 0.000 -0.095) 15.221 3.100 ( -8.936 0.000 4.926) 10.203 3.100 ( 8.936 0.000 4.926) 10.203 3.297 ( -4.600 0.000 -11.553) 12.435 3.297 ( 4.600 0.000 -11.553) 12.435 3.645 ( -2.730 0.000 2.909) 3.990 3.645 ( 2.730 0.000 2.909) 3.990 3.896 ( -7.396 0.000 0.179) 7.399 3.896 ( 7.396 0.000 0.179) 7.399 4.226 ( -8.684 0.000 3.338) 9.303 4.226 ( 8.684 0.000 3.338) 9.303 4.390 ( -3.335 0.000 -7.232) 7.964 4.390 ( 3.335 0.000 -7.232) 7.964 4.640 ( -5.243 0.000 -7.304) 8.991 4.640 ( 5.243 0.000 -7.304) 8.991 4.783 ( -5.571 0.000 -6.305) 8.414 4.783 ( 5.571 0.000 -6.305) 8.414 4.957 ( -2.917 0.000 0.548) 2.968 4.957 ( 2.917 0.000 0.548) 2.968 5.431 ( -3.142 0.000 2.355) 3.927 5.431 ( 3.142 0.000 2.355) 3.927 5.663 ( -0.685 0.000 5.211) 5.256 5.663 ( 0.685 0.000 5.211) 5.256 5.882 ( -3.368 0.000 1.986) 3.910 5.882 ( 3.368 0.000 1.986) 3.910 6.566 ( -2.500 0.000 -7.280) 7.697 6.566 ( 2.500 0.000 -7.280) 7.697 6.634 ( -3.109 0.000 -1.178) 3.324 6.634 ( 3.109 0.000 -1.178) 3.324 6.875 ( -2.570 0.000 -3.546) 4.380 6.875 ( 2.570 0.000 -3.546) 4.380 7.520 ( -9.056 0.000 7.210) 11.575 7.520 ( 9.056 0.000 7.210) 11.575 7.549 ( -2.337 0.000 -5.113) 5.621 7.549 ( 2.337 0.000 -5.113) 5.621 8.040 ( -2.400 0.000 0.201) 2.409 8.040 ( 2.400 0.000 0.201) 2.409 8.377 ( -5.666 0.000 -3.419) 6.618 8.377 ( 5.666 0.000 -3.419) 6.618 8.643 ( -7.478 0.000 -6.817) 10.119 8.643 ( 7.478 0.000 -6.817) 10.119 9.209 ( -2.324 0.000 2.282) 3.258 9.209 ( 2.324 0.000 2.282) 3.258 10.343 ( -6.486 0.000 -3.913) 7.575 10.343 ( 6.486 0.000 -3.913) 7.575 10.450 ( -3.811 0.000 -0.123) 3.813 10.450 ( 3.811 0.000 -0.123) 3.813 11.128 ( -12.285 0.000 -10.463) 16.136 11.128 ( 12.285 0.000 -10.463) 16.136 11.316 ( -9.267 0.000 2.165) 9.517 11.316 ( 9.267 0.000 2.165) 9.517 11.575 ( -2.188 0.000 -5.297) 5.731 11.575 ( 2.188 0.000 -5.297) 5.731 12.049 ( -6.023 0.000 -2.181) 6.406 12.049 ( 6.023 0.000 -2.181) 6.406 12.564 ( -8.765 0.000 8.008) 11.873 12.564 ( 8.765 0.000 8.008) 11.873 13.903 ( -16.746 0.000 16.190) 23.293 13.903 ( 16.746 0.000 16.190) 23.293 15.412 ( -3.314 0.000 -5.629) 6.532 15.412 ( 3.314 0.000 -5.629) 6.532 18.433 ( -0.400 0.000 0.905) 0.990 18.433 ( 0.400 0.000 0.905) 0.990 18.559 ( -0.298 0.000 -0.722) 0.781 18.559 ( 0.298 0.000 -0.722) 0.781 20.289 ( -3.843 0.000 2.638) 4.661 20.289 ( 3.843 0.000 2.638) 4.661 21.009 ( -8.830 0.000 -6.525) 10.979 21.009 ( 8.830 0.000 -6.525) 10.979 22.045 ( -10.879 0.000 -1.949) 11.052 22.045 ( 10.879 0.000 -1.949) 11.052 22.214 ( -8.491 0.000 -3.616) 9.229 22.214 ( 8.491 0.000 -3.616) 9.229 23.014 ( -3.537 0.000 7.669) 8.445 23.014 ( 3.537 0.000 7.669) 8.445 23.978 ( -11.454 0.000 -6.397) 13.120 23.978 ( 11.454 0.000 -6.397) 13.120 ======================= Grid point 95 (34/75) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 11.262 23.069) 25.671 1.233 ( 0.000 8.496 22.256) 23.823 1.997 ( 0.000 9.017 18.627) 20.695 2.123 ( 0.000 15.991 7.109) 17.500 2.299 ( 0.000 10.766 20.368) 23.038 2.415 ( 0.000 8.956 -0.118) 8.956 2.849 ( 0.000 -5.808 0.354) 5.818 2.889 ( 0.000 -3.150 0.666) 3.220 3.008 ( 0.000 1.681 -6.223) 6.446 3.141 ( 0.000 8.120 -6.796) 10.589 3.247 ( 0.000 2.513 -12.113) 12.371 3.440 ( 0.000 3.283 -10.886) 11.370 3.476 ( 0.000 1.233 -1.501) 1.943 3.624 ( 0.000 0.833 -1.212) 1.471 3.669 ( 0.000 -2.089 -1.677) 2.679 4.135 ( 0.000 -2.946 -7.299) 7.871 4.214 ( 0.000 -1.126 -0.358) 1.182 4.413 ( 0.000 -6.222 2.804) 6.825 4.448 ( 0.000 1.048 -6.234) 6.321 4.515 ( 0.000 3.049 7.815) 8.389 4.642 ( 0.000 -5.985 -1.316) 6.128 4.645 ( 0.000 7.189 -7.442) 10.348 4.821 ( 0.000 4.595 -3.992) 6.087 4.827 ( 0.000 2.490 -8.265) 8.631 4.949 ( 0.000 -1.561 -1.152) 1.940 5.039 ( 0.000 -3.243 1.718) 3.669 5.377 ( 0.000 1.291 -0.128) 1.297 5.620 ( 0.000 1.386 1.678) 2.176 5.640 ( 0.000 9.109 0.798) 9.144 5.722 ( 0.000 3.995 5.283) 6.624 5.782 ( 0.000 5.406 4.146) 6.812 6.100 ( 0.000 6.635 1.649) 6.836 6.295 ( 0.000 -1.084 -8.206) 8.277 6.534 ( 0.000 -2.881 -8.309) 8.794 6.542 ( 0.000 -8.920 0.787) 8.955 6.597 ( 0.000 -5.786 -2.331) 6.238 6.844 ( 0.000 4.902 -2.531) 5.517 7.002 ( 0.000 4.688 -3.856) 6.070 7.374 ( 0.000 6.326 7.419) 9.750 7.428 ( 0.000 -6.777 -1.594) 6.962 7.606 ( 0.000 -7.821 -5.423) 9.518 7.863 ( 0.000 0.749 3.495) 3.574 8.010 ( 0.000 -2.693 0.134) 2.697 8.020 ( 0.000 -5.456 -0.176) 5.459 8.166 ( 0.000 1.573 -1.078) 1.907 8.392 ( 0.000 -4.443 -5.567) 7.123 8.414 ( 0.000 -12.634 0.155) 12.635 8.466 ( 0.000 -4.130 -4.612) 6.191 9.271 ( 0.000 8.808 -2.624) 9.190 9.281 ( 0.000 1.408 1.348) 1.949 10.261 ( 0.000 5.768 -4.072) 7.060 10.288 ( 0.000 -3.616 -1.238) 3.822 10.358 ( 0.000 2.737 0.019) 2.737 10.529 ( 0.000 -3.454 -6.254) 7.144 10.860 ( 0.000 4.379 2.458) 5.022 10.952 ( 0.000 -9.377 2.436) 9.688 11.343 ( 0.000 11.152 -5.758) 12.551 11.594 ( 0.000 -1.751 -3.562) 3.969 11.615 ( 0.000 0.174 -8.156) 8.158 11.702 ( 0.000 1.284 -3.960) 4.163 11.946 ( 0.000 14.456 -0.530) 14.465 12.197 ( 0.000 0.754 -3.819) 3.893 12.411 ( 0.000 0.297 11.453) 11.456 12.870 ( 0.000 -1.650 5.722) 5.955 13.533 ( 0.000 3.505 13.372) 13.824 14.572 ( 0.000 -4.822 -2.432) 5.400 15.004 ( 0.000 -22.414 9.291) 24.263 15.365 ( 0.000 -10.934 -3.373) 11.442 18.524 ( 0.000 8.148 0.614) 8.171 18.563 ( 0.000 13.586 -0.152) 13.586 18.639 ( 0.000 7.830 -0.628) 7.855 18.946 ( 0.000 32.245 -15.211) 35.652 20.188 ( 0.000 -3.509 0.652) 3.569 20.250 ( 0.000 -2.350 0.764) 2.471 20.879 ( 0.000 -0.036 -4.563) 4.563 21.123 ( 0.000 -3.713 -3.853) 5.350 21.785 ( 0.000 0.513 1.404) 1.494 21.935 ( 0.000 -0.380 -0.563) 0.679 22.366 ( 0.000 0.185 -0.678) 0.703 22.520 ( 0.000 -1.008 -3.659) 3.796 22.916 ( 0.000 0.279 10.636) 10.639 23.168 ( 0.000 0.484 6.922) 6.939 23.309 ( 0.000 -6.646 4.373) 7.955 24.077 ( 0.000 -12.119 -8.066) 14.558 ======================= Grid point 96 (35/75) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 11.847 10.975 19.853) 25.592 1.463 ( 16.313 6.898 19.344) 26.227 1.943 ( -9.055 10.037 9.730) 16.655 2.004 ( -8.083 10.665 12.460) 18.284 2.333 ( 8.305 7.611 15.537) 19.191 2.540 ( 7.590 10.905 1.797) 13.408 2.804 ( -1.835 -0.675 -4.624) 5.020 2.830 ( -7.656 3.749 -5.924) 10.381 2.989 ( -1.114 -3.008 -2.364) 3.985 3.136 ( 1.875 -2.231 4.772) 5.591 3.273 ( 2.849 7.817 -7.755) 11.374 3.427 ( -0.705 4.602 -12.280) 13.134 3.582 ( -3.085 -3.296 -0.300) 4.525 3.596 ( 4.858 -1.852 -6.626) 8.422 3.769 ( 7.993 0.212 -0.609) 8.019 4.072 ( -5.512 1.146 -0.534) 5.655 4.227 ( -1.902 -2.629 0.538) 3.289 4.363 ( -7.992 1.564 7.603) 11.141 4.392 ( -3.251 -1.524 -0.608) 3.642 4.436 ( -2.015 -0.585 -6.612) 6.937 4.600 ( 3.344 -0.474 -4.275) 5.448 4.664 ( 1.607 5.684 -7.579) 9.609 4.783 ( -3.382 2.406 -7.672) 8.723 4.873 ( 0.026 5.053 -4.189) 6.563 4.924 ( -1.179 -2.980 -1.836) 3.693 5.004 ( -2.631 -2.646 1.856) 4.168 5.401 ( 2.091 1.769 0.415) 2.770 5.555 ( -4.330 3.660 1.938) 5.992 5.656 ( 1.178 3.274 1.141) 3.662 5.710 ( -0.853 3.290 3.215) 4.679 5.874 ( 5.230 7.304 4.129) 9.887 6.030 ( -4.286 7.123 3.834) 9.155 6.376 ( 6.295 -3.808 -7.126) 10.243 6.508 ( 0.516 -4.131 -1.711) 4.501 6.583 ( 0.359 -4.660 -4.652) 6.594 6.595 ( -0.720 -7.950 -3.409) 8.680 6.881 ( 2.912 5.322 -2.943) 6.743 6.993 ( -1.196 5.011 -3.736) 6.364 7.407 ( 3.702 4.395 8.230) 10.038 7.448 ( 1.346 -6.463 -3.571) 7.505 7.557 ( -3.791 -6.877 -5.473) 9.571 7.730 ( -8.669 0.115 4.219) 9.642 7.991 ( 0.677 -1.487 0.597) 1.739 8.070 ( -0.085 -0.935 -0.272) 0.977 8.217 ( 5.338 -2.112 -1.789) 6.013 8.408 ( 3.551 -6.911 -2.701) 8.226 8.421 ( -1.834 -5.820 -2.848) 6.734 8.550 ( 3.640 -11.566 -6.554) 13.783 9.262 ( -0.601 5.668 -0.657) 5.737 9.274 ( -0.783 3.669 0.668) 3.810 10.298 ( 3.313 5.657 -4.196) 7.784 10.375 ( 3.594 0.886 -1.002) 3.835 10.419 ( 5.899 -3.309 -2.697) 7.282 10.491 ( -3.170 -1.002 -7.194) 7.925 10.788 ( -0.418 -3.102 3.641) 4.802 11.023 ( 0.650 -10.987 -0.820) 11.036 11.383 ( 3.999 12.234 -5.631) 14.049 11.547 ( -1.650 2.029 -6.080) 6.619 11.608 ( -0.473 3.229 -6.001) 6.831 11.744 ( 0.208 7.377 -2.649) 7.840 11.963 ( 2.282 8.035 -1.328) 8.458 12.152 ( -3.690 -0.164 -3.527) 5.107 12.424 ( 2.155 -1.239 11.039) 11.316 12.754 ( -9.310 -1.845 6.015) 11.237 13.646 ( 9.557 3.269 14.336) 17.537 14.291 ( -18.762 -3.045 10.296) 21.617 15.137 ( 7.433 -17.340 -0.157) 18.867 15.342 ( -2.203 -11.741 -3.451) 12.434 18.527 ( 0.278 8.299 0.553) 8.322 18.552 ( -0.775 11.216 0.089) 11.243 18.666 ( 2.326 11.391 -1.303) 11.699 18.855 ( -6.309 26.289 -8.978) 28.488 20.198 ( 2.238 -2.186 0.828) 3.236 20.313 ( 1.537 -2.164 2.275) 3.496 20.846 ( 1.353 -2.164 -5.030) 5.640 21.127 ( -3.529 -3.658 -6.714) 8.421 21.850 ( 6.868 0.793 0.222) 6.917 22.026 ( 7.191 -0.608 -3.362) 7.962 22.276 ( -8.137 0.169 -0.917) 8.190 22.397 ( -9.151 -0.872 -2.959) 9.656 22.942 ( 3.320 0.968 9.603) 10.207 23.081 ( -2.680 0.404 7.138) 7.635 23.591 ( 15.897 -7.488 -0.118) 17.573 24.034 ( -4.304 -11.447 -6.548) 13.872 ======================= Grid point 97 (36/75) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -15.035 11.781 13.320) 23.287 1.655 ( 15.035 11.781 13.320) 23.287 1.787 ( -12.502 6.590 17.156) 22.227 1.787 ( 12.502 6.590 17.156) 22.227 2.584 ( -10.735 3.885 -2.293) 11.645 2.584 ( 10.735 3.885 -2.293) 11.645 2.721 ( -5.654 4.259 -4.557) 8.418 2.721 ( 5.654 4.259 -4.557) 8.418 3.088 ( -8.122 -0.766 6.605) 10.497 3.088 ( 8.122 -0.766 6.605) 10.497 3.361 ( -4.875 4.983 -8.948) 11.343 3.361 ( 4.875 4.983 -8.948) 11.343 3.577 ( -4.650 -3.118 -0.134) 5.601 3.577 ( 4.650 -3.118 -0.134) 5.601 3.933 ( -7.026 1.494 0.526) 7.203 3.933 ( 7.026 1.494 0.526) 7.203 4.232 ( -6.384 1.268 3.261) 7.280 4.232 ( 6.384 1.268 3.261) 7.280 4.387 ( -2.468 -0.598 -6.488) 6.968 4.387 ( 2.468 -0.598 -6.488) 6.968 4.691 ( -4.258 2.871 -6.129) 7.996 4.691 ( 4.258 2.871 -6.129) 7.996 4.769 ( -6.358 0.880 -5.887) 8.710 4.769 ( 6.358 0.880 -5.887) 8.710 4.952 ( -2.085 -0.251 -0.160) 2.106 4.952 ( 2.085 -0.251 -0.160) 2.106 5.465 ( -3.763 2.509 1.408) 4.737 5.465 ( 3.763 2.509 1.408) 4.737 5.685 ( -1.392 2.724 2.021) 3.666 5.685 ( 1.392 2.724 2.021) 3.666 5.957 ( -2.888 7.478 4.458) 9.172 5.957 ( 2.888 7.478 4.458) 9.172 6.503 ( -3.775 -5.994 -6.338) 9.505 6.503 ( 3.775 -5.994 -6.338) 9.505 6.571 ( -0.535 -5.075 -1.778) 5.404 6.571 ( 0.535 -5.075 -1.778) 5.404 6.947 ( -2.858 5.433 -3.125) 6.889 6.947 ( 2.858 5.433 -3.125) 6.889 7.478 ( -2.165 -4.900 -2.667) 5.984 7.478 ( 2.165 -4.900 -2.667) 5.984 7.548 ( -7.439 0.606 4.111) 8.521 7.548 ( 7.439 0.606 4.111) 8.521 8.034 ( -2.555 -0.545 0.174) 2.619 8.034 ( 2.555 -0.545 0.174) 2.619 8.336 ( -4.963 -4.210 -3.009) 7.170 8.336 ( 4.963 -4.210 -3.009) 7.170 8.527 ( -4.937 -10.265 -4.871) 12.388 8.527 ( 4.937 -10.265 -4.871) 12.388 9.258 ( -0.386 4.274 0.846) 4.374 9.258 ( 0.386 4.274 0.846) 4.374 10.390 ( -4.801 4.166 -4.841) 7.991 10.390 ( 4.801 4.166 -4.841) 7.991 10.448 ( -2.952 -0.898 -1.512) 3.436 10.448 ( 2.952 -0.898 -1.512) 3.436 10.919 ( -8.850 -12.658 -1.977) 15.571 10.919 ( 8.850 -12.658 -1.977) 15.571 11.492 ( -4.491 7.798 -8.063) 12.083 11.492 ( 4.491 7.798 -8.063) 12.083 11.662 ( -5.535 10.603 -1.173) 12.018 11.662 ( 5.535 10.603 -1.173) 12.018 12.055 ( -5.144 0.457 -3.050) 5.997 12.055 ( 5.144 0.457 -3.050) 5.997 12.542 ( -8.771 -2.243 8.281) 12.269 12.542 ( 8.771 -2.243 8.281) 12.269 13.915 ( -15.227 1.546 15.324) 21.658 13.915 ( 15.227 1.546 15.324) 21.658 15.268 ( -4.732 -13.578 -3.342) 14.762 15.268 ( 4.732 -13.578 -3.342) 14.762 18.536 ( -0.598 9.101 0.374) 9.128 18.536 ( 0.598 9.101 0.374) 9.128 18.737 ( -4.363 17.662 -3.428) 18.513 18.737 ( 4.363 17.662 -3.428) 18.513 20.272 ( -3.892 -1.611 2.471) 4.883 20.272 ( 3.892 -1.611 2.471) 4.883 20.974 ( -8.634 -3.625 -6.483) 11.389 20.974 ( 8.634 -3.625 -6.483) 11.389 22.051 ( -10.720 0.559 -1.877) 10.898 22.051 ( 10.720 0.559 -1.877) 10.898 22.206 ( -8.508 -0.779 -3.547) 9.251 22.206 ( 8.508 -0.779 -3.547) 9.251 23.024 ( -3.348 1.073 7.640) 8.411 23.024 ( 3.348 1.073 7.640) 8.411 23.879 ( -10.338 -9.641 -3.756) 14.626 23.879 ( 10.338 -9.641 -3.756) 14.626 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 14.407 15.794) 21.377 1.468 ( 0.000 15.108 18.760) 24.087 2.142 ( 0.000 7.078 8.248) 10.869 2.473 ( 0.000 15.697 8.422) 17.814 2.553 ( 0.000 6.911 4.355) 8.169 2.567 ( 0.000 2.323 3.127) 3.896 2.803 ( 0.000 9.758 9.966) 13.948 2.812 ( 0.000 -1.059 5.976) 6.069 2.991 ( 0.000 -4.994 0.634) 5.035 3.291 ( 0.000 5.993 -3.305) 6.844 3.310 ( 0.000 3.634 -12.945) 13.445 3.513 ( 0.000 -1.283 -4.155) 4.348 3.563 ( 0.000 2.397 -4.481) 5.082 3.567 ( 0.000 8.971 -1.747) 9.140 3.757 ( 0.000 7.504 -6.105) 9.674 4.043 ( 0.000 -6.473 -6.870) 9.439 4.202 ( 0.000 -0.036 -4.049) 4.050 4.284 ( 0.000 -6.386 4.206) 7.647 4.471 ( 0.000 0.999 -2.797) 2.970 4.521 ( 0.000 -4.976 -2.192) 5.438 4.581 ( 0.000 1.220 6.733) 6.842 4.724 ( 0.000 -1.525 -4.660) 4.903 4.835 ( 0.000 -1.280 -2.567) 2.868 4.918 ( 0.000 7.122 -4.721) 8.544 4.952 ( 0.000 -4.194 0.516) 4.225 5.052 ( 0.000 12.063 -9.626) 15.433 5.399 ( 0.000 1.267 -3.508) 3.729 5.714 ( 0.000 8.142 -1.380) 8.258 5.776 ( 0.000 1.275 -1.527) 1.989 5.846 ( 0.000 10.351 1.905) 10.524 5.872 ( 0.000 4.323 2.572) 5.030 6.252 ( 0.000 4.560 3.140) 5.537 6.268 ( 0.000 -1.834 -5.111) 5.430 6.407 ( 0.000 -0.561 4.340) 4.377 6.471 ( 0.000 -2.689 -6.133) 6.697 6.488 ( 0.000 -5.551 -3.698) 6.670 6.949 ( 0.000 5.053 -4.006) 6.449 7.076 ( 0.000 2.340 -1.829) 2.970 7.263 ( 0.000 -9.707 -2.429) 10.006 7.357 ( 0.000 -11.589 -4.220) 12.334 7.540 ( 0.000 4.680 5.748) 7.412 7.869 ( 0.000 -0.734 2.632) 2.732 7.907 ( 0.000 -5.512 1.300) 5.663 7.943 ( 0.000 -3.874 0.330) 3.888 8.152 ( 0.000 -5.603 1.759) 5.872 8.237 ( 0.000 -2.955 -1.974) 3.554 8.270 ( 0.000 -7.953 -3.252) 8.593 8.370 ( 0.000 -5.388 -4.210) 6.837 9.342 ( 0.000 5.489 1.033) 5.586 9.420 ( 0.000 7.348 -4.429) 8.580 10.172 ( 0.000 -8.365 -2.540) 8.742 10.284 ( 0.000 -4.618 -5.191) 6.948 10.486 ( 0.000 9.431 -2.598) 9.783 10.495 ( 0.000 0.044 -4.316) 4.317 10.746 ( 0.000 -9.782 4.067) 10.594 10.920 ( 0.000 1.265 -0.047) 1.266 11.563 ( 0.000 9.196 -6.707) 11.382 11.596 ( 0.000 2.758 -4.600) 5.363 11.632 ( 0.000 1.586 -3.327) 3.686 11.735 ( 0.000 2.278 -5.029) 5.521 12.147 ( 0.000 3.462 1.024) 3.610 12.199 ( 0.000 -1.114 -4.433) 4.571 12.493 ( 0.000 9.822 5.007) 11.024 12.838 ( 0.000 -1.383 7.077) 7.211 13.635 ( 0.000 7.264 11.445) 13.555 14.442 ( 0.000 -8.567 -0.959) 8.621 14.633 ( 0.000 -14.305 14.786) 20.573 15.101 ( 0.000 -15.733 -0.890) 15.758 18.740 ( 0.000 13.971 -0.316) 13.975 18.837 ( 0.000 12.215 -0.235) 12.217 18.879 ( 0.000 17.782 -1.810) 17.874 19.484 ( 0.000 19.269 -22.627) 29.720 20.117 ( 0.000 -2.459 -1.287) 2.775 20.192 ( 0.000 -3.314 0.131) 3.317 20.875 ( 0.000 -0.498 -5.664) 5.686 21.023 ( 0.000 -6.418 -3.906) 7.513 21.801 ( 0.000 1.163 1.406) 1.825 21.922 ( 0.000 -0.931 -0.232) 0.960 22.373 ( 0.000 0.551 -0.597) 0.813 22.492 ( 0.000 -1.826 -3.227) 3.708 22.923 ( 0.000 0.431 11.136) 11.144 23.162 ( 0.000 -7.813 10.377) 12.989 23.192 ( 0.000 2.236 5.564) 5.997 23.820 ( 0.000 -13.702 -3.715) 14.197 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 11.080 12.869 17.302) 24.243 1.650 ( 13.683 12.333 13.871) 23.059 2.074 ( -6.772 7.535 8.924) 13.501 2.306 ( -13.147 14.777 8.254) 21.432 2.518 ( 3.464 2.939 3.270) 5.597 2.671 ( 3.252 3.175 1.927) 4.937 2.835 ( 0.529 -2.317 2.047) 3.137 2.850 ( -0.501 6.213 0.304) 6.241 2.965 ( -0.174 -0.759 3.707) 3.788 3.128 ( -4.787 3.458 2.033) 6.246 3.404 ( 1.448 6.514 -3.488) 7.530 3.515 ( 3.024 0.555 -6.573) 7.256 3.567 ( 1.986 6.819 -7.078) 10.028 3.657 ( -5.404 6.792 -7.548) 11.502 3.757 ( 8.840 -0.810 0.854) 8.918 4.056 ( -1.861 -3.498 -4.012) 5.639 4.213 ( 1.000 1.784 -2.429) 3.176 4.319 ( 2.962 -2.606 1.972) 4.410 4.414 ( -6.071 0.772 0.644) 6.154 4.433 ( -4.607 0.205 -1.822) 4.959 4.574 ( 2.232 -0.866 0.663) 2.485 4.719 ( -1.578 -3.787 -2.922) 5.036 4.846 ( -0.159 1.999 -2.549) 3.243 4.924 ( -1.911 -1.190 -1.757) 2.856 4.947 ( 2.041 4.465 -3.063) 5.787 5.025 ( -2.025 11.711 -9.718) 15.352 5.428 ( 2.514 1.169 -2.642) 3.830 5.622 ( -6.380 3.666 0.999) 7.426 5.770 ( -0.777 5.647 -0.253) 5.706 5.776 ( -0.616 4.631 -3.939) 6.111 6.037 ( 7.083 9.355 4.979) 12.747 6.203 ( -2.901 8.068 4.823) 9.837 6.296 ( 2.241 -3.932 -4.480) 6.368 6.415 ( 1.202 -4.471 1.465) 4.856 6.455 ( -1.823 -4.903 -5.942) 7.917 6.494 ( -0.007 -4.019 -2.886) 4.948 6.973 ( 1.876 2.870 -3.168) 4.668 7.063 ( -1.409 1.880 -1.545) 2.812 7.295 ( 2.671 -9.046 -5.012) 10.681 7.361 ( 0.017 -10.898 -5.275) 12.107 7.521 ( -0.435 5.161 6.722) 8.486 7.725 ( -7.278 -0.056 4.185) 8.396 7.955 ( 2.664 -2.092 0.111) 3.389 8.041 ( 3.823 -2.499 0.804) 4.638 8.161 ( 0.880 -3.876 -1.485) 4.243 8.242 ( 1.479 -8.652 -1.365) 8.883 8.272 ( -0.416 -8.630 -2.069) 8.885 8.373 ( -0.374 -7.218 -3.984) 8.253 9.343 ( 0.256 5.974 0.516) 6.001 9.401 ( -1.706 7.290 -3.028) 8.075 10.261 ( 6.513 -10.715 -4.358) 13.275 10.312 ( 2.270 -6.004 -5.454) 8.423 10.481 ( -0.254 6.873 -2.805) 7.428 10.492 ( -0.397 2.130 -4.484) 4.980 10.714 ( -1.455 -5.580 3.721) 6.863 10.873 ( -4.540 -3.119 0.292) 5.516 11.576 ( 1.251 7.761 -7.166) 10.637 11.592 ( 1.232 2.931 -7.778) 8.403 11.731 ( 6.207 8.921 -0.404) 10.876 11.820 ( 7.364 1.503 -3.665) 8.361 12.129 ( -2.882 -1.475 -3.655) 4.882 12.168 ( -3.008 7.744 -3.149) 8.884 12.417 ( -3.751 2.288 9.312) 10.297 12.713 ( -10.111 -2.182 6.976) 12.477 13.745 ( 8.983 7.170 12.043) 16.647 14.240 ( -12.450 -1.400 9.816) 15.915 14.794 ( 8.982 -17.172 3.872) 19.762 15.065 ( -3.271 -16.253 -0.807) 16.599 18.742 ( 0.297 13.801 -0.212) 13.806 18.791 ( -2.184 13.493 -0.122) 13.669 18.961 ( 5.559 17.039 -3.029) 18.177 19.331 ( -10.895 19.215 -14.958) 26.677 20.155 ( 3.396 -1.481 -0.592) 3.752 20.268 ( 3.197 -1.760 0.649) 3.707 20.784 ( -2.040 -4.239 -4.056) 6.211 21.026 ( -4.017 -6.797 -6.912) 10.494 21.872 ( 6.879 1.497 -0.004) 7.040 22.009 ( 6.942 -1.223 -2.660) 7.534 22.282 ( -8.007 0.488 -0.932) 8.076 22.374 ( -8.745 -1.444 -2.638) 9.248 22.969 ( 4.261 1.785 9.909) 10.934 23.098 ( -1.331 1.454 6.784) 7.064 23.421 ( 12.592 -9.142 5.294) 16.436 23.783 ( -3.621 -13.706 -2.206) 14.347 ======================= Grid point 102 (39/75) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -11.148 9.895 12.809) 19.654 1.846 ( 11.148 9.895 12.809) 19.654 1.991 ( -14.426 12.077 12.199) 22.423 1.991 ( 14.426 12.077 12.199) 22.423 2.654 ( -7.640 -1.424 -4.930) 9.204 2.654 ( 7.640 -1.424 -4.930) 9.204 2.795 ( -4.798 4.255 0.544) 6.436 2.795 ( 4.798 4.255 0.544) 6.436 3.052 ( -5.298 -1.728 4.310) 7.045 3.052 ( 5.298 -1.728 4.310) 7.045 3.475 ( -5.418 9.400 -1.932) 11.021 3.475 ( 5.418 9.400 -1.932) 11.021 3.612 ( -3.603 3.652 -5.544) 7.553 3.612 ( 3.603 3.652 -5.544) 7.553 3.926 ( -7.591 -0.886 -0.251) 7.647 3.926 ( 7.591 -0.886 -0.251) 7.647 4.283 ( -5.305 3.014 0.391) 6.114 4.283 ( 5.305 3.014 0.391) 6.114 4.378 ( -1.318 0.815 -2.566) 2.998 4.378 ( 1.318 0.815 -2.566) 2.998 4.650 ( -4.304 -4.734 -1.186) 6.507 4.650 ( 4.304 -4.734 -1.186) 6.507 4.865 ( -2.743 2.631 -2.651) 4.634 4.865 ( 2.743 2.631 -2.651) 4.634 4.989 ( -1.608 7.592 -6.487) 10.115 4.989 ( 1.608 7.592 -6.487) 10.115 5.503 ( -4.439 1.456 -0.719) 4.727 5.503 ( 4.439 1.456 -0.719) 4.727 5.767 ( -0.383 5.393 -2.065) 5.788 5.767 ( 0.383 5.393 -2.065) 5.788 6.138 ( -3.166 10.016 6.203) 12.199 6.138 ( 3.166 10.016 6.203) 12.199 6.378 ( -4.302 -6.169 -4.845) 8.946 6.378 ( 4.302 -6.169 -4.845) 8.946 6.467 ( -2.204 -4.913 -1.936) 5.722 6.467 ( 2.204 -4.913 -1.936) 5.722 7.020 ( -2.309 1.109 -1.746) 3.100 7.020 ( 2.309 1.109 -1.746) 3.100 7.344 ( -1.586 -8.661 -6.791) 11.119 7.344 ( 1.586 -8.661 -6.791) 11.119 7.580 ( -5.691 3.062 6.433) 9.119 7.580 ( 5.691 3.062 6.433) 9.119 8.028 ( -3.424 0.170 -0.113) 3.430 8.028 ( 3.424 0.170 -0.113) 3.430 8.216 ( -3.192 -8.647 -2.283) 9.495 8.216 ( 3.192 -8.647 -2.283) 9.495 8.326 ( -3.806 -9.265 -2.297) 10.276 8.326 ( 3.806 -9.265 -2.297) 10.276 9.362 ( -1.547 6.926 -0.799) 7.142 9.362 ( 1.547 6.926 -0.799) 7.142 10.347 ( -0.566 -10.302 -5.770) 11.822 10.347 ( 0.566 -10.302 -5.770) 11.822 10.481 ( -0.360 4.553 -3.595) 5.812 10.481 ( 0.360 4.553 -3.595) 5.812 10.752 ( -5.191 -4.301 1.690) 6.950 10.752 ( 5.191 -4.301 1.690) 6.950 11.602 ( -0.671 5.638 -8.416) 10.152 11.602 ( 0.671 5.638 -8.416) 10.152 11.898 ( -5.967 10.717 0.380) 12.272 11.898 ( 5.967 10.717 0.380) 12.272 12.066 ( -2.863 1.336 -4.833) 5.774 12.066 ( 2.863 1.336 -4.833) 5.774 12.484 ( -9.119 -3.763 8.848) 13.251 12.484 ( 9.119 -3.763 8.848) 13.251 13.975 ( -11.850 5.131 12.647) 18.075 13.975 ( 11.850 5.131 12.647) 18.075 14.961 ( -6.362 -17.308 0.003) 18.440 14.961 ( 6.362 -17.308 0.003) 18.440 18.756 ( -1.065 13.548 -0.057) 13.590 18.756 ( 1.065 13.548 -0.057) 13.590 19.112 ( -8.687 18.375 -6.965) 21.485 19.112 ( 8.687 18.375 -6.965) 21.485 20.245 ( -4.136 -0.478 1.566) 4.449 20.245 ( 4.136 -0.478 1.566) 4.449 20.871 ( -8.151 -7.243 -6.306) 12.596 20.871 ( 8.151 -7.243 -6.306) 12.596 22.067 ( -10.296 1.098 -1.755) 10.502 22.067 ( 10.296 1.098 -1.755) 10.502 22.186 ( -8.594 -1.374 -3.276) 9.299 22.186 ( 8.594 -1.374 -3.276) 9.299 23.058 ( -3.103 2.607 7.518) 8.541 23.058 ( 3.103 2.607 7.518) 8.541 23.654 ( -8.492 -12.772 1.167) 15.382 23.654 ( 8.492 -12.772 1.167) 15.382 ======================= Grid point 105 (40/75) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.000 16.322 10.075) 19.181 1.784 ( 0.000 17.603 12.857) 21.798 2.261 ( 0.000 0.501 4.045) 4.076 2.423 ( 0.000 -13.518 3.914) 14.074 2.425 ( 0.000 -2.673 5.328) 5.961 2.799 ( 0.000 11.322 0.410) 11.329 2.817 ( 0.000 -12.133 4.888) 13.081 2.907 ( 0.000 6.136 6.318) 8.807 3.155 ( 0.000 19.456 6.520) 20.519 3.363 ( 0.000 1.843 4.491) 4.855 3.385 ( 0.000 2.509 -2.368) 3.450 3.411 ( 0.000 -3.000 -1.921) 3.562 3.720 ( 0.000 8.087 -8.384) 11.648 3.763 ( 0.000 8.983 -1.728) 9.147 3.857 ( 0.000 1.688 -6.836) 7.041 3.904 ( 0.000 -6.932 -5.273) 8.710 4.191 ( 0.000 -2.813 0.413) 2.844 4.219 ( 0.000 2.140 -4.832) 5.285 4.420 ( 0.000 -5.555 -0.549) 5.582 4.493 ( 0.000 0.198 2.447) 2.455 4.607 ( 0.000 2.902 3.718) 4.716 4.631 ( 0.000 -4.590 -4.555) 6.467 4.800 ( 0.000 -3.379 -2.762) 4.365 4.814 ( 0.000 -7.442 3.669) 8.297 5.162 ( 0.000 13.760 -8.672) 16.265 5.311 ( 0.000 12.583 -11.224) 16.861 5.432 ( 0.000 2.587 -6.040) 6.570 5.737 ( 0.000 -5.176 -3.499) 6.248 5.913 ( 0.000 12.004 -3.482) 12.499 5.959 ( 0.000 4.886 0.162) 4.889 5.996 ( 0.000 4.531 -5.108) 6.828 6.207 ( 0.000 -3.267 1.205) 3.482 6.218 ( 0.000 -3.667 -1.592) 3.997 6.372 ( 0.000 -6.889 -2.841) 7.452 6.475 ( 0.000 3.440 -2.664) 4.351 6.557 ( 0.000 8.937 6.216) 10.886 6.954 ( 0.000 -6.471 -5.120) 8.251 7.034 ( 0.000 -7.644 -2.273) 7.975 7.137 ( 0.000 -1.519 -0.858) 1.744 7.171 ( 0.000 -4.071 -4.627) 6.163 7.618 ( 0.000 2.950 5.572) 6.305 7.812 ( 0.000 -5.151 1.087) 5.264 7.860 ( 0.000 1.256 3.926) 4.122 7.889 ( 0.000 -1.502 1.511) 2.130 8.022 ( 0.000 -5.861 1.330) 6.010 8.114 ( 0.000 -7.757 1.158) 7.843 8.233 ( 0.000 0.517 -2.936) 2.981 8.283 ( 0.000 -3.319 -4.179) 5.336 9.501 ( 0.000 11.220 -0.282) 11.224 9.572 ( 0.000 8.869 -4.520) 9.955 9.986 ( 0.000 -10.617 -3.233) 11.098 10.086 ( 0.000 -14.849 -4.057) 15.394 10.520 ( 0.000 2.285 -2.519) 3.401 10.618 ( 0.000 -2.076 2.429) 3.195 10.672 ( 0.000 7.287 -2.907) 7.845 10.901 ( 0.000 -3.090 -2.257) 3.827 11.620 ( 0.000 2.010 -5.224) 5.598 11.659 ( 0.000 0.722 -1.517) 1.680 11.749 ( 0.000 7.791 -5.239) 9.389 11.795 ( 0.000 3.870 -4.308) 5.791 12.123 ( 0.000 -3.554 4.795) 5.968 12.146 ( 0.000 -4.126 -2.833) 5.005 12.697 ( 0.000 8.882 1.051) 8.944 12.823 ( 0.000 -0.372 6.872) 6.882 13.809 ( 0.000 10.839 7.882) 13.402 14.254 ( 0.000 -10.959 1.164) 11.021 14.484 ( 0.000 -1.400 11.617) 11.701 14.801 ( 0.000 -14.941 2.063) 15.083 19.031 ( 0.000 15.769 -1.907) 15.884 19.069 ( 0.000 11.121 -0.210) 11.123 19.171 ( 0.000 11.269 -1.989) 11.443 19.586 ( 0.000 -6.576 -10.505) 12.394 20.147 ( 0.000 -0.733 -1.904) 2.040 20.148 ( 0.000 3.833 -9.328) 10.085 20.859 ( 0.000 -1.080 -7.087) 7.169 20.902 ( 0.000 -5.359 -5.056) 7.367 21.829 ( 0.000 1.746 1.159) 2.096 21.899 ( 0.000 -1.550 0.205) 1.563 22.389 ( 0.000 1.123 -0.708) 1.327 22.454 ( 0.000 -2.103 -2.268) 3.093 22.935 ( 0.000 0.938 11.951) 11.988 23.036 ( 0.000 -5.144 12.961) 13.944 23.261 ( 0.000 5.124 3.541) 6.228 23.578 ( 0.000 -11.433 -1.138) 11.490 ======================= Grid point 106 (41/75) ======================= q-point: ( 0.25 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 8.821 15.115 12.686) 21.615 1.915 ( 10.222 14.986 8.164) 19.893 2.243 ( -3.809 8.688 5.924) 11.184 2.400 ( 1.840 -9.245 1.673) 9.574 2.460 ( -1.122 -4.367 4.920) 6.674 2.619 ( -8.755 0.390 4.282) 9.754 2.774 ( -5.094 -9.872 5.482) 12.388 2.855 ( -8.267 -2.988 1.416) 8.904 3.130 ( 0.295 16.357 4.835) 17.059 3.266 ( -1.999 8.436 -1.866) 8.868 3.477 ( 4.855 -2.851 -4.326) 7.100 3.562 ( 7.233 2.923 3.909) 8.726 3.665 ( -2.199 4.344 -1.175) 5.009 3.786 ( -2.561 6.837 -4.808) 8.742 3.821 ( 3.118 6.895 -6.644) 10.071 3.977 ( 3.174 -3.623 -6.339) 7.961 4.233 ( 4.538 -2.670 -1.705) 5.535 4.297 ( 3.151 2.417 -3.868) 5.544 4.378 ( -1.535 -4.278 -0.376) 4.561 4.490 ( -2.044 4.330 3.748) 6.080 4.564 ( -0.595 -0.566 0.428) 0.926 4.634 ( -1.626 -1.348 -0.512) 2.173 4.810 ( 0.215 -5.188 1.892) 5.526 4.821 ( 0.862 -5.884 0.167) 5.949 5.176 ( 1.384 13.551 -8.659) 16.141 5.281 ( -2.593 13.005 -10.362) 16.829 5.452 ( 1.772 1.358 -5.142) 5.606 5.655 ( -7.586 -1.710 -0.996) 7.840 5.841 ( 0.364 4.312 -5.173) 6.744 5.904 ( -1.966 6.688 -5.439) 8.842 6.161 ( -1.027 -5.816 -0.018) 5.906 6.196 ( 9.482 5.924 -0.074) 11.181 6.285 ( -3.972 -3.129 -2.662) 5.715 6.328 ( 3.570 -3.506 0.628) 5.043 6.440 ( -2.875 3.075 -2.298) 4.796 6.541 ( -2.310 6.572 4.101) 8.084 6.944 ( 0.522 -4.881 -2.536) 5.525 7.065 ( -4.071 -1.886 -0.854) 4.567 7.098 ( 4.026 -9.479 -5.322) 11.592 7.200 ( 0.219 -5.831 -5.229) 7.835 7.619 ( 0.978 5.351 5.905) 8.028 7.757 ( -3.618 3.359 3.981) 6.343 7.915 ( 4.285 -2.911 0.377) 5.194 7.953 ( 4.261 -5.614 1.594) 7.226 8.048 ( 1.496 -6.061 0.589) 6.271 8.120 ( 0.906 -7.109 0.665) 7.197 8.170 ( -4.850 0.273 -2.659) 5.537 8.264 ( -2.211 -4.305 -3.213) 5.809 9.508 ( 0.733 11.393 -0.916) 11.453 9.563 ( -0.946 9.996 -3.604) 10.668 10.029 ( 3.288 -12.979 -3.975) 13.967 10.092 ( 0.391 -15.358 -4.240) 15.937 10.531 ( 1.065 2.756 -2.722) 4.017 10.611 ( -1.063 2.861 -0.539) 3.099 10.654 ( -0.403 1.591 -0.922) 1.883 10.828 ( -5.788 -2.986 -1.565) 6.698 11.662 ( 3.792 4.252 -6.341) 8.524 11.710 ( 2.167 5.994 -5.174) 8.209 11.829 ( 5.986 0.333 -5.463) 8.111 11.891 ( 9.912 6.580 0.082) 11.898 12.068 ( -4.068 -3.608 -1.725) 5.705 12.189 ( 3.848 -3.866 3.791) 6.643 12.535 ( -13.085 7.306 3.332) 15.353 12.678 ( -11.872 -1.609 6.684) 13.719 13.919 ( 8.685 10.924 8.348) 16.262 14.250 ( -2.586 1.260 5.524) 6.228 14.510 ( 3.750 -11.323 6.760) 13.710 14.756 ( -4.060 -15.520 2.041) 16.172 19.027 ( -0.268 14.966 -1.473) 15.040 19.049 ( -1.276 13.194 -0.466) 13.264 19.221 ( 4.103 8.303 -3.080) 9.759 19.490 ( -7.169 -2.270 -8.940) 11.682 20.172 ( 4.485 3.297 -3.028) 6.337 20.278 ( 6.951 2.336 -5.388) 9.099 20.702 ( -7.706 -3.091 -3.063) 8.850 20.878 ( -5.994 -8.368 -7.071) 12.488 21.905 ( 6.806 1.948 -0.414) 7.091 21.980 ( 6.734 -1.745 -1.806) 7.187 22.295 ( -7.879 0.922 -1.058) 8.003 22.345 ( -8.255 -1.573 -2.047) 8.649 23.010 ( 6.038 2.638 10.369) 12.286 23.122 ( 4.407 -0.276 8.061) 9.191 23.295 ( 3.750 -2.285 6.109) 7.524 23.540 ( -3.643 -11.458 0.599) 12.038 ======================= Grid point 107 (42/75) ======================= q-point: (-0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -9.053 13.130 9.973) 18.810 2.068 ( 9.053 13.130 9.973) 18.810 2.208 ( -14.253 10.864 6.873) 19.194 2.208 ( 14.253 10.864 6.873) 19.194 2.544 ( -8.810 -8.384 0.041) 12.162 2.544 ( 8.810 -8.384 0.041) 12.162 2.691 ( -5.005 -12.486 3.710) 13.954 2.691 ( 5.005 -12.486 3.710) 13.954 3.191 ( -4.185 12.651 -0.080) 13.325 3.191 ( 4.185 12.651 -0.080) 13.325 3.583 ( -4.232 -5.860 0.105) 7.229 3.583 ( 4.232 -5.860 0.105) 7.229 3.708 ( -4.121 12.337 -3.174) 13.388 3.708 ( 4.121 12.337 -3.174) 13.388 3.948 ( -5.924 1.995 -5.904) 8.598 3.948 ( 5.924 1.995 -5.904) 8.598 4.300 ( -2.147 0.059 -1.811) 2.809 4.300 ( 2.147 0.059 -1.811) 2.809 4.427 ( -4.265 0.245 1.006) 4.389 4.427 ( 4.265 0.245 1.006) 4.389 4.581 ( -2.321 0.838 0.613) 2.542 4.581 ( 2.321 0.838 0.613) 2.542 4.822 ( -0.756 -5.215 1.714) 5.541 4.822 ( 0.756 -5.215 1.714) 5.541 5.220 ( -2.607 13.453 -8.970) 16.378 5.220 ( 2.607 13.453 -8.970) 16.378 5.514 ( -4.525 -0.894 -3.309) 5.677 5.514 ( 4.525 -0.894 -3.309) 5.677 5.876 ( -1.520 6.064 -4.551) 7.733 5.876 ( 1.520 6.064 -4.551) 7.733 6.175 ( -3.374 -7.189 -1.389) 8.062 6.175 ( 3.374 -7.189 -1.389) 8.062 6.357 ( -5.108 3.610 -1.169) 6.363 6.357 ( 5.108 3.610 -1.169) 6.363 6.448 ( -5.845 3.214 1.930) 6.943 6.448 ( 5.845 3.214 1.930) 6.943 6.985 ( -3.068 -2.914 -1.050) 4.359 6.985 ( 3.068 -2.914 -1.050) 4.359 7.172 ( -2.574 -9.007 -6.246) 11.259 7.172 ( 2.574 -9.007 -6.246) 11.259 7.674 ( -3.733 6.690 5.364) 9.352 7.674 ( 3.733 6.690 5.364) 9.352 8.019 ( -1.588 -9.865 -0.431) 10.001 8.019 ( 1.588 -9.865 -0.431) 10.001 8.049 ( -2.506 1.005 -0.015) 2.700 8.049 ( 2.506 1.005 -0.015) 2.700 8.190 ( -4.157 -5.603 -1.550) 7.146 8.190 ( 4.157 -5.603 -1.550) 7.146 9.534 ( -1.553 11.321 -2.135) 11.625 9.534 ( 1.553 11.321 -2.135) 11.625 10.086 ( -1.389 -15.636 -4.506) 16.331 10.086 ( 1.389 -15.636 -4.506) 16.331 10.568 ( -2.239 4.445 -3.019) 5.821 10.568 ( 2.239 4.445 -3.019) 5.821 10.703 ( -4.748 -2.215 -0.158) 5.241 10.703 ( 4.748 -2.215 -0.158) 5.241 11.725 ( -1.223 7.158 -7.054) 10.124 11.725 ( 1.223 7.158 -7.054) 10.124 11.960 ( -5.740 -2.936 -4.361) 7.784 11.960 ( 5.740 -2.936 -4.361) 7.784 12.171 ( -13.727 8.080 1.299) 15.981 12.171 ( 13.727 8.080 1.299) 15.981 12.404 ( -10.491 -4.541 8.493) 14.241 12.404 ( 10.491 -4.541 8.493) 14.241 14.118 ( -8.702 9.860 8.806) 15.827 14.118 ( 8.702 9.860 8.806) 15.827 14.636 ( -6.609 -16.430 2.530) 17.889 14.636 ( 6.609 -16.430 2.530) 17.889 19.028 ( -0.547 14.282 -0.896) 14.321 19.028 ( 0.547 14.282 -0.896) 14.321 19.336 ( -6.526 3.660 -5.765) 9.446 19.336 ( 6.526 3.660 -5.765) 9.446 20.297 ( -5.462 6.831 -1.427) 8.862 20.297 ( 5.462 6.831 -1.427) 8.862 20.701 ( -7.694 -10.408 -5.844) 14.201 20.701 ( 7.694 -10.408 -5.844) 14.201 22.092 ( -9.742 1.517 -1.803) 10.023 22.092 ( 9.742 1.517 -1.803) 10.023 22.156 ( -8.816 -1.690 -2.759) 9.391 22.156 ( 8.816 -1.690 -2.759) 9.391 23.127 ( -3.560 4.824 7.211) 9.377 23.127 ( 3.560 4.824 7.211) 9.377 23.424 ( -6.742 -10.937 4.740) 13.694 23.424 ( 6.742 -10.937 4.740) 13.694 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.000 -10.438 7.249) 12.709 2.050 ( 0.000 10.438 7.249) 12.709 2.135 ( 0.000 -12.597 5.650) 13.806 2.135 ( 0.000 12.597 5.650) 13.806 2.574 ( 0.000 -12.344 6.246) 13.834 2.574 ( 0.000 12.344 6.246) 13.834 2.939 ( 0.000 -3.254 -0.152) 3.258 2.939 ( 0.000 3.254 -0.152) 3.258 3.370 ( 0.000 -0.310 10.849) 10.853 3.370 ( 0.000 0.310 10.849) 10.853 3.408 ( 0.000 -5.130 -3.791) 6.378 3.408 ( 0.000 5.130 -3.791) 6.378 3.807 ( 0.000 -1.008 -3.332) 3.481 3.807 ( 0.000 1.008 -3.332) 3.481 3.856 ( 0.000 -0.664 -7.662) 7.691 3.856 ( 0.000 0.664 -7.662) 7.691 4.215 ( 0.000 -4.344 -0.668) 4.395 4.215 ( 0.000 4.344 -0.668) 4.395 4.402 ( 0.000 -6.053 -1.004) 6.136 4.402 ( 0.000 6.053 -1.004) 6.136 4.663 ( 0.000 -4.060 2.485) 4.761 4.663 ( 0.000 4.060 2.485) 4.761 4.713 ( 0.000 -3.491 -1.470) 3.788 4.713 ( 0.000 3.491 -1.470) 3.788 5.361 ( 0.000 -5.653 -10.034) 11.517 5.361 ( 0.000 5.653 -10.034) 11.517 5.587 ( 0.000 -10.243 -6.155) 11.950 5.587 ( 0.000 10.243 -6.155) 11.950 6.026 ( 0.000 -1.272 -3.678) 3.891 6.026 ( 0.000 1.272 -3.678) 3.891 6.121 ( 0.000 -7.307 -4.723) 8.700 6.121 ( 0.000 7.307 -4.723) 8.700 6.225 ( 0.000 -6.620 0.718) 6.658 6.225 ( 0.000 6.620 0.718) 6.658 6.582 ( 0.000 -6.043 0.238) 6.048 6.582 ( 0.000 6.043 0.238) 6.048 6.903 ( 0.000 -4.362 -1.025) 4.481 6.903 ( 0.000 4.362 -1.025) 4.481 7.136 ( 0.000 -1.075 -2.769) 2.971 7.136 ( 0.000 1.075 -2.769) 2.971 7.697 ( 0.000 -5.879 3.021) 6.609 7.697 ( 0.000 5.879 3.021) 6.609 7.889 ( 0.000 -0.656 3.373) 3.436 7.889 ( 0.000 0.656 3.373) 3.436 7.991 ( 0.000 -4.191 1.807) 4.564 7.991 ( 0.000 4.191 1.807) 4.564 8.245 ( 0.000 -0.952 -3.413) 3.543 8.245 ( 0.000 0.952 -3.413) 3.543 9.722 ( 0.000 -2.134 -4.303) 4.804 9.722 ( 0.000 2.134 -4.303) 4.804 9.821 ( 0.000 -2.904 -1.492) 3.265 9.821 ( 0.000 2.904 -1.492) 3.265 10.570 ( 0.000 -2.638 -0.198) 2.646 10.570 ( 0.000 2.638 -0.198) 2.646 10.811 ( 0.000 -6.222 -3.267) 7.028 10.811 ( 0.000 6.222 -3.267) 7.028 11.653 ( 0.000 -1.213 -3.402) 3.611 11.653 ( 0.000 1.213 -3.402) 3.611 11.843 ( 0.000 -0.745 -4.886) 4.943 11.843 ( 0.000 0.745 -4.886) 4.943 12.081 ( 0.000 -0.882 2.504) 2.654 12.081 ( 0.000 0.882 2.504) 2.654 12.802 ( 0.000 -2.609 4.199) 4.944 12.802 ( 0.000 2.609 4.199) 4.944 14.032 ( 0.000 -12.096 3.982) 12.735 14.032 ( 0.000 12.096 3.982) 12.735 14.564 ( 0.000 -9.093 6.295) 11.059 14.564 ( 0.000 9.093 6.295) 11.059 19.210 ( 0.000 -1.655 -1.457) 2.205 19.210 ( 0.000 1.655 -1.457) 2.205 19.369 ( 0.000 -13.560 -3.621) 14.035 19.369 ( 0.000 13.560 -3.621) 14.035 20.167 ( 0.000 -1.645 -6.579) 6.782 20.167 ( 0.000 1.645 -6.579) 6.782 20.847 ( 0.000 -0.479 -7.229) 7.245 20.847 ( 0.000 0.479 -7.229) 7.245 21.865 ( 0.000 -1.905 0.699) 2.029 21.865 ( 0.000 1.905 0.699) 2.029 22.416 ( 0.000 -1.750 -1.261) 2.158 22.416 ( 0.000 1.750 -1.261) 2.158 22.965 ( 0.000 -2.459 12.816) 13.050 22.965 ( 0.000 2.459 12.816) 13.050 23.389 ( 0.000 -8.347 1.241) 8.438 23.389 ( 0.000 8.347 1.241) 8.438 ======================= Grid point 112 (44/75) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 7.177 -13.504 7.065) 16.846 2.129 ( 7.177 13.504 7.065) 16.846 2.208 ( 6.633 -14.626 4.205) 16.601 2.208 ( 6.633 14.626 4.205) 16.601 2.512 ( -5.690 -12.038 5.550) 14.425 2.512 ( -5.690 12.038 5.550) 14.425 2.759 ( -13.961 -6.092 3.450) 15.618 2.759 ( -13.961 6.092 3.450) 15.618 3.396 ( 1.144 -4.640 -0.564) 4.813 3.396 ( 1.144 4.640 -0.564) 4.813 3.419 ( 0.798 -11.966 2.532) 12.257 3.419 ( 0.798 11.966 2.532) 12.257 3.835 ( 3.281 -6.984 -2.987) 8.274 3.835 ( 3.281 6.984 -2.987) 8.274 3.905 ( 2.345 -4.662 -7.072) 8.788 3.905 ( 2.345 4.662 -7.072) 8.788 4.240 ( 2.979 -4.716 0.276) 5.585 4.240 ( 2.979 4.716 0.276) 5.585 4.419 ( -0.132 -6.249 -2.478) 6.723 4.419 ( -0.132 6.249 -2.478) 6.723 4.662 ( 0.587 -5.444 3.545) 6.523 4.662 ( 0.587 5.444 3.545) 6.523 4.715 ( -0.238 -3.773 -0.221) 3.787 4.715 ( -0.238 3.773 -0.221) 3.787 5.371 ( 1.290 -5.130 -9.107) 10.531 5.371 ( 1.290 5.130 -9.107) 10.531 5.548 ( -4.286 -8.484 -4.793) 10.645 5.548 ( -4.286 8.484 -4.793) 10.645 5.936 ( -0.985 -4.651 -6.122) 7.751 5.936 ( -0.985 4.651 -6.122) 7.751 6.155 ( -5.368 -6.727 -1.500) 8.736 6.155 ( -5.368 6.727 -1.500) 8.736 6.288 ( 8.352 -3.524 -0.986) 9.119 6.288 ( 8.352 3.524 -0.986) 9.119 6.544 ( -3.310 -5.912 0.575) 6.800 6.544 ( -3.310 5.912 0.575) 6.800 6.936 ( 2.836 -5.301 -1.943) 6.318 6.936 ( 2.836 5.301 -1.943) 6.318 7.097 ( -3.265 -4.260 -2.658) 5.989 7.097 ( -3.265 4.260 -2.658) 5.989 7.742 ( 3.673 -6.885 3.013) 8.364 7.742 ( 3.673 6.885 3.013) 8.364 7.883 ( -1.159 -3.593 3.491) 5.142 7.883 ( -1.159 3.593 3.491) 5.142 8.015 ( 2.654 -3.044 0.581) 4.080 8.015 ( 2.654 3.044 0.581) 4.080 8.201 ( -3.805 -2.499 -2.776) 5.332 8.201 ( -3.805 2.499 -2.776) 5.332 9.744 ( 1.863 -4.908 -4.028) 6.617 9.744 ( 1.863 4.908 -4.028) 6.617 9.815 ( -0.639 -4.431 -2.134) 4.959 9.815 ( -0.639 4.431 -2.134) 4.959 10.585 ( 1.613 -2.629 -0.752) 3.174 10.585 ( 1.613 2.629 -0.752) 3.174 10.750 ( -4.746 -5.119 -2.905) 7.561 10.750 ( -4.746 5.119 -2.905) 7.561 11.736 ( 6.147 -2.785 -4.576) 8.154 11.736 ( 6.147 2.785 -4.576) 8.154 11.894 ( 2.830 -5.299 -6.868) 9.125 11.894 ( 2.830 5.299 -6.868) 9.125 12.089 ( 3.042 -5.475 5.787) 8.527 12.089 ( 3.042 5.475 5.787) 8.527 12.636 ( -13.620 -3.292 4.708) 14.782 12.636 ( -13.620 3.292 4.708) 14.782 14.143 ( 8.786 -11.595 4.358) 15.187 14.143 ( 8.786 11.595 4.358) 15.187 14.505 ( -5.332 -9.611 6.010) 12.527 14.505 ( -5.332 9.611 6.010) 12.527 19.223 ( 1.246 -4.243 -1.797) 4.773 19.223 ( 1.246 4.243 -1.797) 4.773 19.330 ( -2.985 -11.537 -3.392) 12.390 19.330 ( -2.985 11.537 -3.392) 12.390 20.262 ( 8.197 -4.659 -5.664) 10.999 20.262 ( 8.197 4.659 -5.664) 10.999 20.730 ( -9.754 -6.042 -5.576) 12.756 20.730 ( -9.754 6.042 -5.576) 12.756 21.944 ( 6.706 -2.024 -1.023) 7.079 21.944 ( 6.706 2.024 -1.023) 7.079 22.317 ( -7.929 -1.337 -1.434) 8.167 22.317 ( -7.929 1.337 -1.434) 8.167 23.071 ( 8.104 -3.666 10.435) 13.712 23.071 ( 8.104 3.666 10.435) 13.712 23.357 ( -3.164 -7.336 2.863) 8.486 23.357 ( -3.164 7.336 2.863) 8.486 ======================= Grid point 114 (45/75) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -6.977 -9.926 5.782) 13.440 2.314 ( 6.953 -9.922 5.782) 13.425 2.314 ( -6.953 9.922 5.782) 13.425 2.314 ( 6.977 9.926 5.782) 13.440 2.453 ( -9.100 -8.887 3.677) 13.240 2.453 ( 0.196 -7.634 3.677) 8.476 2.453 ( -0.196 7.634 3.677) 8.476 2.453 ( 9.100 8.887 3.677) 13.240 3.418 ( -0.766 -10.629 0.761) 10.684 3.418 ( 0.763 -10.629 0.761) 10.683 3.418 ( -0.763 10.629 0.761) 10.683 3.418 ( 0.766 10.629 0.761) 10.684 3.907 ( -2.228 -7.197 -5.753) 9.479 3.907 ( 2.227 -7.197 -5.753) 9.479 3.907 ( -2.227 7.197 -5.753) 9.479 3.907 ( 2.228 7.197 -5.753) 9.479 4.348 ( -5.493 -5.040 -0.624) 7.481 4.348 ( 3.111 -4.503 -0.624) 5.509 4.348 ( -3.111 4.503 -0.624) 5.509 4.348 ( 5.493 5.040 -0.624) 7.481 4.693 ( -1.214 -7.674 2.306) 8.104 4.693 ( 1.014 -7.667 2.306) 8.070 4.693 ( -1.014 7.667 2.306) 8.070 4.693 ( 1.214 7.674 2.306) 8.104 5.434 ( -3.684 -7.879 -6.386) 10.790 5.434 ( 1.944 -7.723 -6.386) 10.208 5.434 ( -1.944 7.723 -6.386) 10.208 5.434 ( 3.684 7.879 -6.386) 10.790 6.013 ( -4.796 -8.152 -4.237) 10.364 6.013 ( 1.018 -7.808 -4.237) 8.941 6.013 ( -1.018 7.808 -4.237) 8.941 6.013 ( 4.796 8.152 -4.237) 10.364 6.445 ( -5.868 -4.443 0.408) 7.372 6.445 ( 4.607 -4.055 0.408) 6.151 6.445 ( -4.607 4.055 0.408) 6.151 6.445 ( 5.868 4.443 0.408) 7.372 7.014 ( -3.754 -6.405 -2.667) 7.888 7.014 ( 2.985 -6.303 -2.667) 7.467 7.014 ( -2.985 6.303 -2.667) 7.467 7.014 ( 3.754 6.405 -2.667) 7.888 7.828 ( -3.117 -9.238 3.219) 10.268 7.828 ( 2.483 -9.190 3.219) 10.049 7.828 ( -2.483 9.190 3.219) 10.049 7.828 ( 3.117 9.238 3.219) 10.268 8.102 ( -4.835 -3.711 -1.270) 6.226 8.102 ( 3.675 -3.363 -1.270) 5.141 8.102 ( -3.675 3.363 -1.270) 5.141 8.102 ( 4.835 3.711 -1.270) 6.226 9.788 ( -0.867 -14.995 -3.256) 15.368 9.788 ( 0.673 -14.992 -3.256) 15.356 9.788 ( -0.673 14.992 -3.256) 15.356 9.788 ( 0.867 14.995 -3.256) 15.368 10.647 ( -3.980 -3.663 -1.932) 5.744 10.647 ( 2.594 -3.337 -1.932) 4.647 10.647 ( -2.594 3.337 -1.932) 4.647 10.647 ( 3.980 3.663 -1.932) 5.744 11.861 ( -3.864 -6.542 -6.150) 9.775 11.861 ( 1.806 -6.315 -6.150) 8.998 11.861 ( -1.806 6.315 -6.150) 8.998 11.861 ( 3.864 6.542 -6.150) 9.775 12.306 ( -14.579 -5.659 5.988) 16.746 12.306 ( -9.229 0.418 5.988) 11.009 12.306 ( 9.229 -0.418 5.988) 11.009 12.306 ( 14.579 5.659 5.988) 16.746 14.346 ( -7.818 -13.663 5.235) 16.589 14.346 ( 5.165 -13.344 5.235) 15.236 14.346 ( -5.165 13.344 5.235) 15.236 14.346 ( 7.818 13.663 5.235) 16.589 19.266 ( -2.301 -9.490 -2.624) 10.111 19.266 ( 2.063 -9.476 -2.624) 10.047 19.266 ( -2.063 9.476 -2.624) 10.047 19.266 ( 2.301 9.490 -2.624) 10.111 20.486 ( -9.603 -11.115 -4.580) 15.386 20.486 ( 1.535 -10.053 -4.580) 11.154 20.486 ( -1.535 10.053 -4.580) 11.154 20.486 ( 9.603 11.115 -4.580) 15.386 22.123 ( -9.298 -1.718 -2.173) 9.702 22.123 ( -9.273 1.684 -2.173) 9.672 22.123 ( 9.273 -1.684 -2.173) 9.672 22.123 ( 9.298 1.718 -2.173) 9.702 23.246 ( -6.055 -7.492 6.486) 11.613 23.246 ( 2.186 -6.939 6.486) 9.747 23.246 ( -2.186 6.939 6.486) 9.747 23.246 ( 6.055 7.492 6.486) 11.613 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.000 0.000 23.908) 23.908 1.660 ( 0.000 0.000 23.010) 23.010 2.076 ( 0.000 0.000 7.453) 7.453 2.250 ( 0.000 0.000 8.877) 8.877 2.272 ( 0.000 0.000 -0.815) 0.815 2.615 ( 0.000 0.000 12.659) 12.659 2.719 ( 0.000 0.000 -10.383) 10.383 2.900 ( 0.000 0.000 -7.609) 7.609 2.919 ( 0.000 0.000 -0.904) 0.904 2.962 ( 0.000 0.000 -1.004) 1.004 3.036 ( 0.000 0.000 -7.738) 7.738 3.072 ( 0.000 0.000 -16.072) 16.072 3.524 ( 0.000 0.000 8.244) 8.244 3.651 ( 0.000 0.000 1.004) 1.004 3.678 ( 0.000 0.000 0.322) 0.322 4.022 ( 0.000 0.000 -7.745) 7.745 4.221 ( 0.000 0.000 -0.605) 0.605 4.331 ( 0.000 0.000 -1.612) 1.612 4.377 ( 0.000 0.000 -8.129) 8.129 4.426 ( 0.000 0.000 -3.954) 3.954 4.471 ( 0.000 0.000 -8.736) 8.736 4.583 ( 0.000 0.000 -9.107) 9.107 4.771 ( 0.000 0.000 1.966) 1.966 4.839 ( 0.000 0.000 8.677) 8.677 4.959 ( 0.000 0.000 -0.688) 0.688 5.184 ( 0.000 0.000 9.056) 9.056 5.423 ( 0.000 0.000 4.285) 4.285 5.569 ( 0.000 0.000 0.467) 0.467 5.754 ( 0.000 0.000 5.503) 5.503 5.784 ( 0.000 0.000 5.001) 5.001 5.798 ( 0.000 0.000 5.272) 5.272 6.051 ( 0.000 0.000 1.521) 1.521 6.104 ( 0.000 0.000 -10.036) 10.036 6.320 ( 0.000 0.000 -13.219) 13.219 6.563 ( 0.000 0.000 -5.531) 5.531 6.618 ( 0.000 0.000 -4.167) 4.167 6.754 ( 0.000 0.000 -2.149) 2.149 6.819 ( 0.000 0.000 -5.560) 5.560 7.490 ( 0.000 0.000 0.599) 0.599 7.514 ( 0.000 0.000 10.638) 10.638 7.588 ( 0.000 0.000 -2.783) 2.783 7.908 ( 0.000 0.000 1.080) 1.080 8.033 ( 0.000 0.000 -0.385) 0.385 8.061 ( 0.000 0.000 -1.302) 1.302 8.126 ( 0.000 0.000 0.016) 0.016 8.330 ( 0.000 0.000 -3.736) 3.736 8.369 ( 0.000 0.000 -7.683) 7.683 8.459 ( 0.000 0.000 -6.799) 6.799 9.227 ( 0.000 0.000 4.619) 4.619 9.312 ( 0.000 0.000 2.244) 2.244 10.146 ( 0.000 0.000 -1.027) 1.027 10.312 ( 0.000 0.000 0.089) 0.089 10.338 ( 0.000 0.000 -0.370) 0.370 10.406 ( 0.000 0.000 -8.315) 8.315 10.877 ( 0.000 0.000 2.890) 2.890 11.101 ( 0.000 0.000 -5.534) 5.534 11.185 ( 0.000 0.000 7.815) 7.815 11.467 ( 0.000 0.000 -3.331) 3.331 11.597 ( 0.000 0.000 -3.209) 3.209 11.608 ( 0.000 0.000 -4.695) 4.695 11.802 ( 0.000 0.000 3.327) 3.327 12.099 ( 0.000 0.000 -4.996) 4.996 12.653 ( 0.000 0.000 10.544) 10.544 12.957 ( 0.000 0.000 1.480) 1.480 13.813 ( 0.000 0.000 15.446) 15.446 14.533 ( 0.000 0.000 -5.545) 5.545 15.259 ( 0.000 0.000 -1.182) 1.182 15.368 ( 0.000 0.000 -5.266) 5.266 18.446 ( 0.000 0.000 1.235) 1.235 18.468 ( 0.000 0.000 1.277) 1.277 18.529 ( 0.000 0.000 -1.158) 1.158 18.549 ( 0.000 0.000 -1.001) 1.001 20.242 ( 0.000 0.000 0.995) 0.995 20.289 ( 0.000 0.000 0.415) 0.415 20.820 ( 0.000 0.000 -1.017) 1.017 21.059 ( 0.000 0.000 -5.473) 5.473 21.814 ( 0.000 0.000 1.727) 1.727 21.919 ( 0.000 0.000 -1.203) 1.203 22.353 ( 0.000 0.000 -0.273) 0.273 22.450 ( 0.000 0.000 -3.600) 3.600 23.148 ( 0.000 0.000 11.529) 11.529 23.306 ( 0.000 0.000 5.957) 5.957 23.394 ( 0.000 0.000 0.593) 0.593 23.948 ( 0.000 0.000 -12.619) 12.619 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 5.688 0.000 21.165) 21.916 1.834 ( 13.248 0.000 19.737) 23.771 1.991 ( -6.662 0.000 10.016) 12.029 2.219 ( -3.126 0.000 10.310) 10.774 2.338 ( 5.076 0.000 -2.072) 5.483 2.544 ( -4.209 0.000 0.992) 4.324 2.620 ( -6.920 0.000 -7.091) 9.908 2.677 ( -10.267 0.000 -7.436) 12.677 2.957 ( 3.462 0.000 -11.003) 11.534 3.053 ( 6.679 0.000 6.360) 9.223 3.063 ( -1.058 0.000 -15.297) 15.334 3.274 ( 8.824 0.000 1.234) 8.910 3.596 ( 4.978 0.000 2.834) 5.728 3.659 ( 1.505 0.000 1.970) 2.479 3.745 ( 5.984 0.000 0.559) 6.010 4.030 ( -1.529 0.000 -3.008) 3.375 4.170 ( -1.268 0.000 -5.061) 5.217 4.319 ( -3.041 0.000 -6.044) 6.766 4.374 ( -2.721 0.000 0.791) 2.834 4.407 ( 3.413 0.000 -5.143) 6.172 4.493 ( 0.449 0.000 -8.350) 8.362 4.556 ( -2.422 0.000 -8.321) 8.667 4.689 ( -8.241 0.000 14.287) 16.494 4.776 ( -3.109 0.000 0.938) 3.247 4.923 ( -1.929 0.000 -1.130) 2.236 5.081 ( -6.810 0.000 3.528) 7.670 5.444 ( 1.858 0.000 4.088) 4.490 5.548 ( -1.872 0.000 1.502) 2.400 5.759 ( 0.434 0.000 5.222) 5.240 5.788 ( -0.779 0.000 5.162) 5.221 5.843 ( 4.405 0.000 2.218) 4.932 6.019 ( -2.750 0.000 2.327) 3.603 6.224 ( 8.315 0.000 -9.089) 12.318 6.355 ( 2.294 0.000 -12.125) 12.340 6.560 ( 0.220 0.000 -4.532) 4.537 6.619 ( -0.431 0.000 -4.365) 4.386 6.767 ( 1.034 0.000 -2.832) 3.015 6.812 ( -0.668 0.000 -5.180) 5.223 7.478 ( -0.740 0.000 -0.297) 0.798 7.544 ( -3.385 0.000 -2.169) 4.020 7.559 ( 4.003 0.000 9.771) 10.559 7.820 ( -6.433 0.000 3.831) 7.487 8.018 ( 0.297 0.000 0.604) 0.674 8.062 ( -0.357 0.000 -0.750) 0.831 8.192 ( 4.517 0.000 -2.407) 5.119 8.347 ( -2.045 0.000 -7.011) 7.303 8.394 ( 4.486 0.000 -4.681) 6.484 8.500 ( 1.990 0.000 -8.814) 9.035 9.241 ( 1.265 0.000 4.288) 4.471 9.301 ( -0.941 0.000 2.617) 2.781 10.176 ( 2.709 0.000 -1.823) 3.265 10.357 ( -4.109 0.000 -6.698) 7.858 10.364 ( 3.947 0.000 0.119) 3.949 10.407 ( 5.043 0.000 -1.410) 5.236 10.872 ( 0.851 0.000 1.485) 1.712 11.084 ( -2.592 0.000 -6.659) 7.146 11.241 ( 4.817 0.000 6.059) 7.741 11.466 ( 0.442 0.000 -2.571) 2.609 11.516 ( -6.485 0.000 -0.849) 6.540 11.567 ( -2.580 0.000 -2.998) 3.955 11.883 ( 5.397 0.000 -0.248) 5.403 12.072 ( -2.539 0.000 -4.470) 5.141 12.658 ( 1.034 0.000 9.586) 9.642 12.869 ( -6.879 0.000 3.231) 7.600 13.925 ( 9.484 0.000 14.226) 17.097 14.430 ( -9.252 0.000 1.149) 9.323 15.245 ( 0.135 0.000 -3.513) 3.516 15.350 ( -2.076 0.000 -5.746) 6.110 18.448 ( 0.251 0.000 1.214) 1.240 18.464 ( -0.340 0.000 1.223) 1.270 18.533 ( 0.310 0.000 -1.089) 1.132 18.547 ( -0.216 0.000 -0.998) 1.021 20.257 ( 3.090 0.000 2.383) 3.902 20.379 ( 4.011 0.000 1.224) 4.193 20.777 ( -1.154 0.000 -2.563) 2.811 21.021 ( -4.634 0.000 -6.858) 8.277 21.857 ( 4.583 0.000 1.012) 4.693 21.967 ( 4.124 0.000 -2.636) 4.895 22.263 ( -7.595 0.000 -0.232) 7.599 22.342 ( -8.470 0.000 -2.885) 8.947 23.147 ( 1.052 0.000 10.499) 10.551 23.229 ( -2.212 0.000 6.734) 7.088 23.619 ( 12.536 0.000 -1.922) 12.683 23.938 ( -1.650 0.000 -10.610) 10.737 ======================= Grid point 137 (48/75) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -8.103 0.000 15.351) 17.358 1.825 ( 8.103 0.000 15.351) 17.358 2.093 ( -9.098 0.000 15.136) 17.660 2.093 ( 9.098 0.000 15.136) 17.660 2.468 ( -6.819 0.000 -4.146) 7.980 2.468 ( 6.819 0.000 -4.146) 7.980 2.527 ( -3.362 0.000 -8.619) 9.252 2.527 ( 3.362 0.000 -8.619) 9.252 3.023 ( -2.576 0.000 -13.684) 13.925 3.023 ( 2.576 0.000 -13.684) 13.925 3.242 ( -9.015 0.000 6.241) 10.965 3.242 ( 9.015 0.000 6.241) 10.965 3.691 ( -1.812 0.000 0.564) 1.897 3.691 ( 1.812 0.000 0.564) 1.897 3.906 ( -8.014 0.000 0.942) 8.069 3.906 ( 8.014 0.000 0.942) 8.069 4.228 ( -4.698 0.000 -8.141) 9.399 4.228 ( 4.698 0.000 -8.141) 9.399 4.391 ( -5.776 0.000 8.458) 10.242 4.391 ( 5.776 0.000 8.458) 10.242 4.488 ( -3.719 0.000 -6.411) 7.412 4.488 ( 3.719 0.000 -6.411) 7.412 4.670 ( -5.558 0.000 -0.144) 5.560 4.670 ( 5.558 0.000 -0.144) 5.560 4.953 ( -4.507 0.000 -0.686) 4.559 4.953 ( 4.507 0.000 -0.686) 4.559 5.496 ( -2.680 0.000 3.201) 4.175 5.496 ( 2.680 0.000 3.201) 4.175 5.771 ( -0.671 0.000 5.003) 5.048 5.771 ( 0.671 0.000 5.003) 5.048 5.941 ( -4.326 0.000 1.691) 4.645 5.941 ( 4.326 0.000 1.691) 4.645 6.358 ( -3.060 0.000 -10.102) 10.556 6.358 ( 3.060 0.000 -10.102) 10.556 6.589 ( -2.098 0.000 -3.843) 4.378 6.589 ( 2.098 0.000 -3.843) 4.378 6.792 ( -1.143 0.000 -4.151) 4.305 6.792 ( 1.143 0.000 -4.151) 4.305 7.483 ( -1.615 0.000 -1.312) 2.081 7.483 ( 1.615 0.000 -1.312) 2.081 7.675 ( -6.464 0.000 7.319) 9.765 7.675 ( 6.464 0.000 7.319) 9.765 8.043 ( -1.367 0.000 0.227) 1.385 8.043 ( 1.367 0.000 0.227) 1.385 8.284 ( -3.724 0.000 -5.164) 6.367 8.284 ( 3.724 0.000 -5.164) 6.367 8.486 ( -3.242 0.000 -7.525) 8.194 8.486 ( 3.242 0.000 -7.525) 8.194 9.274 ( -1.540 0.000 3.475) 3.801 9.274 ( 1.540 0.000 3.475) 3.801 10.257 ( -4.609 0.000 -3.932) 6.059 10.257 ( 4.609 0.000 -3.932) 6.059 10.445 ( -2.240 0.000 -0.267) 2.256 10.445 ( 2.240 0.000 -0.267) 2.256 10.968 ( -7.122 0.000 -4.784) 8.579 10.968 ( 7.122 0.000 -4.784) 8.579 11.370 ( -6.746 0.000 2.785) 7.299 11.370 ( 6.746 0.000 2.785) 7.299 11.503 ( -2.840 0.000 -2.329) 3.673 11.503 ( 2.840 0.000 -2.329) 3.673 11.994 ( -4.587 0.000 -2.936) 5.446 11.994 ( 4.587 0.000 -2.936) 5.446 12.725 ( -5.399 0.000 6.684) 8.592 12.725 ( 5.399 0.000 6.684) 8.592 14.177 ( -12.924 0.000 10.273) 16.510 14.177 ( 12.924 0.000 10.273) 16.510 15.287 ( -3.189 0.000 -5.950) 6.751 15.287 ( 3.189 0.000 -5.950) 6.751 18.456 ( -0.402 0.000 1.188) 1.255 18.456 ( 0.402 0.000 1.188) 1.255 18.540 ( -0.357 0.000 -1.013) 1.074 18.540 ( 0.357 0.000 -1.013) 1.074 20.357 ( -4.894 0.000 3.722) 6.149 20.357 ( 4.894 0.000 3.722) 6.149 20.866 ( -8.104 0.000 -6.726) 10.532 20.866 ( 8.104 0.000 -6.726) 10.532 21.997 ( -6.063 0.000 -2.100) 6.417 21.997 ( 6.063 0.000 -2.100) 6.417 22.170 ( -4.858 0.000 -1.190) 5.001 22.170 ( 4.858 0.000 -1.190) 5.001 23.188 ( -2.042 0.000 8.531) 8.772 23.188 ( 2.042 0.000 8.531) 8.772 23.843 ( -7.568 0.000 -6.430) 9.930 23.843 ( 7.568 0.000 -6.430) 9.930 ======================= Grid point 140 (49/75) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 7.689 21.971) 23.277 1.691 ( 0.000 3.735 21.152) 21.479 2.214 ( 0.000 8.552 6.181) 10.551 2.300 ( 0.000 9.255 8.866) 12.817 2.426 ( 0.000 13.591 0.873) 13.619 2.647 ( 0.000 2.471 8.962) 9.296 2.798 ( 0.000 6.999 -10.502) 12.621 2.895 ( 0.000 -0.051 0.677) 0.679 2.933 ( 0.000 -3.152 -0.298) 3.166 3.013 ( 0.000 10.147 -5.203) 11.403 3.025 ( 0.000 1.322 -8.890) 8.988 3.171 ( 0.000 8.590 -12.456) 15.131 3.508 ( 0.000 -1.060 5.779) 5.876 3.614 ( 0.000 -3.929 -0.381) 3.948 3.661 ( 0.000 -0.946 1.061) 1.422 3.985 ( 0.000 -3.132 -7.059) 7.723 4.186 ( 0.000 -3.370 -2.191) 4.020 4.337 ( 0.000 -0.132 -5.311) 5.313 4.423 ( 0.000 5.605 -2.907) 6.314 4.467 ( 0.000 0.322 -5.692) 5.701 4.513 ( 0.000 6.663 -2.139) 6.998 4.633 ( 0.000 4.294 -9.048) 10.015 4.752 ( 0.000 -1.469 -0.403) 1.523 4.798 ( 0.000 -3.764 8.129) 8.958 4.928 ( 0.000 -2.720 -0.520) 2.769 5.134 ( 0.000 -4.404 7.460) 8.663 5.414 ( 0.000 -1.626 3.557) 3.911 5.627 ( 0.000 4.578 -1.090) 4.706 5.661 ( 0.000 -3.394 2.602) 4.277 5.845 ( 0.000 3.888 4.455) 5.912 5.871 ( 0.000 3.866 4.352) 5.821 6.113 ( 0.000 1.237 -8.929) 9.014 6.143 ( 0.000 8.515 1.282) 8.611 6.311 ( 0.000 -0.596 -12.119) 12.134 6.512 ( 0.000 -4.271 -2.742) 5.076 6.526 ( 0.000 -6.559 -3.729) 7.545 6.796 ( 0.000 3.911 -2.241) 4.508 6.911 ( 0.000 6.644 -4.841) 8.220 7.413 ( 0.000 -7.615 0.329) 7.622 7.492 ( 0.000 -6.732 -0.048) 6.733 7.579 ( 0.000 3.170 6.539) 7.266 7.916 ( 0.000 0.545 1.140) 1.263 8.002 ( 0.000 -3.065 -0.759) 3.157 8.007 ( 0.000 -4.584 -0.780) 4.650 8.147 ( 0.000 1.333 -0.569) 1.449 8.288 ( 0.000 -3.964 -4.324) 5.866 8.348 ( 0.000 -2.411 -5.993) 6.460 8.367 ( 0.000 -8.249 -3.977) 9.158 9.274 ( 0.000 4.184 2.161) 4.709 9.321 ( 0.000 1.193 2.106) 2.420 10.186 ( 0.000 2.921 -2.835) 4.071 10.253 ( 0.000 -5.742 -2.410) 6.227 10.353 ( 0.000 2.015 -0.326) 2.041 10.410 ( 0.000 0.585 -4.339) 4.378 10.896 ( 0.000 1.269 1.197) 1.745 10.988 ( 0.000 -8.265 0.243) 8.269 11.301 ( 0.000 8.593 1.667) 8.754 11.500 ( 0.000 3.440 -2.626) 4.328 11.542 ( 0.000 -2.828 -1.806) 3.355 11.616 ( 0.000 0.775 -4.528) 4.594 11.949 ( 0.000 11.612 0.537) 11.625 12.108 ( 0.000 0.849 -4.460) 4.540 12.645 ( 0.000 -0.544 10.497) 10.511 12.951 ( 0.000 -0.606 1.789) 1.889 13.831 ( 0.000 1.905 14.619) 14.742 14.499 ( 0.000 -3.467 -4.840) 5.954 15.112 ( 0.000 -13.334 2.475) 13.562 15.278 ( 0.000 -8.928 -4.549) 10.020 18.543 ( 0.000 7.656 1.234) 7.755 18.566 ( 0.000 11.846 0.516) 11.857 18.622 ( 0.000 8.217 -0.977) 8.275 18.741 ( 0.000 18.683 -6.305) 19.718 20.207 ( 0.000 -3.557 1.059) 3.711 20.263 ( 0.000 -2.724 0.249) 2.735 20.812 ( 0.000 -0.823 -1.379) 1.606 21.027 ( 0.000 -3.338 -5.186) 6.168 21.818 ( 0.000 0.520 1.701) 1.778 21.918 ( 0.000 -0.104 -1.082) 1.087 22.354 ( 0.000 0.121 -0.349) 0.370 22.442 ( 0.000 -0.730 -3.448) 3.525 23.149 ( 0.000 0.098 11.182) 11.183 23.304 ( 0.000 -0.188 5.788) 5.791 23.368 ( 0.000 -2.541 1.713) 3.065 23.877 ( 0.000 -6.880 -10.425) 12.491 ======================= Grid point 141 (50/75) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 6.536 8.244 19.391) 22.061 1.856 ( 12.886 2.601 17.779) 22.112 2.123 ( -7.295 9.368 8.033) 14.336 2.263 ( -3.409 7.064 10.841) 13.381 2.456 ( 1.393 9.601 0.426) 9.711 2.564 ( -3.549 3.327 -1.839) 5.201 2.676 ( -9.969 1.421 -7.652) 12.647 2.725 ( -6.319 8.878 -4.772) 11.896 3.016 ( 7.397 1.240 -0.667) 7.530 3.089 ( 4.364 7.951 -3.058) 9.571 3.139 ( -0.349 7.387 -13.696) 15.565 3.272 ( 7.751 0.308 1.763) 7.955 3.515 ( 1.949 -6.175 1.660) 6.685 3.594 ( -1.480 -5.290 1.098) 5.602 3.763 ( 8.146 0.730 0.379) 8.187 4.022 ( 1.023 -1.203 -4.471) 4.741 4.153 ( -1.119 -1.591 -4.338) 4.754 4.303 ( -3.237 -0.933 -6.910) 7.688 4.416 ( -2.332 2.770 2.734) 4.537 4.469 ( 2.919 5.792 -4.039) 7.641 4.525 ( 0.786 3.531 -4.285) 5.608 4.602 ( -2.894 4.531 -8.019) 9.655 4.664 ( -6.385 -1.977 12.053) 13.783 4.790 ( -1.960 1.173 -1.238) 2.599 4.895 ( -1.332 -2.619 -0.941) 3.085 5.051 ( -5.883 -2.756 3.337) 7.304 5.445 ( 2.620 -0.642 3.461) 4.388 5.588 ( -2.944 3.115 1.064) 4.416 5.678 ( 1.364 -3.305 1.302) 3.805 5.776 ( -2.809 -0.541 2.801) 4.004 5.973 ( 4.651 8.636 3.719) 10.490 6.112 ( -2.249 8.399 2.088) 8.942 6.204 ( 6.577 -1.677 -8.013) 10.501 6.335 ( 1.354 -1.744 -11.196) 11.412 6.512 ( 0.187 -4.209 -2.762) 5.038 6.529 ( -0.037 -6.403 -3.570) 7.331 6.820 ( 2.100 4.737 -2.939) 5.957 6.904 ( -0.794 6.691 -4.691) 8.211 7.404 ( -0.460 -7.321 -0.531) 7.354 7.469 ( -2.524 -7.465 -2.130) 8.163 7.594 ( 2.355 3.090 8.541) 9.383 7.815 ( -6.268 -0.564 3.478) 7.190 7.999 ( 1.035 -2.013 0.278) 2.280 8.056 ( 0.139 -0.509 -0.868) 1.016 8.171 ( 3.311 -2.213 -2.532) 4.719 8.297 ( -0.825 -4.813 -6.098) 7.812 8.359 ( 1.946 -3.853 -3.712) 5.694 8.411 ( 2.261 -7.689 -6.252) 10.165 9.280 ( 0.532 3.436 2.293) 4.165 9.314 ( -0.678 1.484 2.240) 2.771 10.215 ( 2.519 2.933 -3.341) 5.110 10.308 ( 2.621 -5.022 -5.524) 7.913 10.377 ( 1.514 0.897 -0.704) 1.895 10.404 ( 1.169 0.544 -1.429) 1.925 10.850 ( -1.900 -1.851 2.303) 3.513 10.983 ( -2.394 -7.722 -2.503) 8.463 11.334 ( 2.605 6.709 0.357) 7.206 11.458 ( -3.523 -1.002 -2.481) 4.424 11.544 ( 3.466 7.548 -0.845) 8.348 11.690 ( 2.679 6.358 -2.848) 7.464 11.941 ( -0.105 6.879 -0.656) 6.911 12.068 ( -3.377 -0.352 -4.209) 5.408 12.645 ( 0.686 -1.239 9.662) 9.766 12.858 ( -7.228 -1.117 3.463) 8.093 13.940 ( 9.151 1.661 13.481) 16.378 14.407 ( -8.291 -2.235 1.593) 8.733 15.121 ( 1.515 -11.708 -1.029) 11.850 15.253 ( -2.417 -9.432 -4.777) 10.845 18.545 ( 0.153 7.887 1.169) 7.974 18.560 ( -0.470 10.338 0.695) 10.372 18.637 ( 1.248 10.174 -1.463) 10.355 18.716 ( -1.957 16.827 -4.886) 17.631 20.231 ( 3.464 -2.634 2.233) 4.892 20.350 ( 4.357 -2.860 0.959) 5.300 20.760 ( -1.974 -1.755 -2.496) 3.634 20.987 ( -4.714 -3.452 -6.623) 8.832 21.864 ( 4.658 0.675 0.967) 4.804 21.967 ( 4.210 -0.065 -2.423) 4.858 22.263 ( -7.687 0.033 -0.319) 7.694 22.335 ( -8.418 -0.667 -2.771) 8.887 23.154 ( 1.305 0.706 10.181) 10.288 23.229 ( -1.867 0.148 6.618) 6.878 23.581 ( 11.605 -3.748 -0.794) 12.221 23.870 ( -1.348 -6.655 -8.614) 10.969 ======================= Grid point 142 (51/75) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -8.912 8.994 13.456) 18.477 1.939 ( 8.912 8.994 13.456) 18.477 2.125 ( -9.958 3.972 14.077) 17.695 2.125 ( 9.958 3.972 14.077) 17.695 2.495 ( -4.036 1.671 -6.428) 7.772 2.495 ( 4.036 1.671 -6.428) 7.772 2.605 ( -3.808 9.033 -4.162) 10.650 2.605 ( 3.808 9.033 -4.162) 10.650 3.114 ( -1.830 8.627 -12.354) 15.179 3.114 ( 1.830 8.627 -12.354) 15.179 3.239 ( -8.224 -0.160 5.764) 10.044 3.239 ( 8.224 -0.160 5.764) 10.044 3.583 ( -1.787 -7.905 0.065) 8.104 3.583 ( 1.787 -7.905 0.065) 8.104 3.938 ( -7.087 1.271 -0.267) 7.205 3.938 ( 7.087 1.271 -0.267) 7.205 4.211 ( -4.658 -1.291 -7.590) 8.999 4.211 ( 4.658 -1.291 -7.590) 8.999 4.433 ( -4.953 3.427 9.533) 11.276 4.433 ( 4.953 3.427 9.533) 11.276 4.544 ( -2.462 6.015 -5.846) 8.741 4.544 ( 2.462 6.015 -5.846) 8.741 4.675 ( -6.384 0.182 -0.572) 6.412 4.675 ( 6.384 0.182 -0.572) 6.412 4.937 ( -4.249 -1.343 -1.102) 4.591 4.937 ( 4.249 -1.343 -1.102) 4.591 5.515 ( -3.605 1.137 2.836) 4.726 5.515 ( 3.605 1.137 2.836) 4.726 5.720 ( -2.430 -2.694 1.537) 3.940 5.720 ( 2.430 -2.694 1.537) 3.940 6.054 ( -3.139 9.305 2.701) 10.185 6.054 ( 3.139 9.305 2.701) 10.185 6.322 ( -3.287 -3.371 -8.843) 10.018 6.322 ( 3.287 -3.371 -8.843) 10.018 6.521 ( -0.577 -5.178 -3.067) 6.046 6.521 ( 0.577 -5.178 -3.067) 6.046 6.871 ( -2.226 6.167 -4.012) 7.687 6.871 ( 2.226 6.167 -4.012) 7.687 7.414 ( -1.703 -6.950 -1.667) 7.347 7.414 ( 1.703 -6.950 -1.667) 7.347 7.684 ( -5.577 0.807 6.728) 8.776 7.684 ( 5.577 0.807 6.728) 8.776 8.033 ( -1.726 -0.859 -0.021) 1.928 8.033 ( 1.726 -0.859 -0.021) 1.928 8.249 ( -3.259 -3.679 -5.050) 7.047 8.249 ( 3.259 -3.679 -5.050) 7.047 8.412 ( -1.991 -6.755 -5.513) 8.944 8.412 ( 1.991 -6.755 -5.513) 8.944 9.295 ( -0.883 2.215 2.444) 3.415 9.295 ( 0.883 2.215 2.444) 3.415 10.281 ( -3.206 1.462 -4.999) 6.116 10.281 ( 3.206 1.462 -4.999) 6.116 10.426 ( -1.294 -1.709 -0.590) 2.224 10.426 ( 1.294 -1.709 -0.590) 2.224 10.885 ( -4.990 -6.322 -1.100) 8.129 10.885 ( 4.990 -6.322 -1.100) 8.129 11.393 ( -2.734 2.517 -2.040) 4.239 11.393 ( 2.734 2.517 -2.040) 4.239 11.655 ( -5.306 13.308 0.113) 14.327 11.655 ( 5.306 13.308 0.113) 14.327 11.984 ( -3.846 -1.014 -3.462) 5.273 11.984 ( 3.846 -1.014 -3.462) 5.273 12.708 ( -5.461 -1.753 6.876) 8.954 12.708 ( 5.461 -1.753 6.876) 8.954 14.177 ( -11.903 0.255 9.899) 15.484 14.177 ( 11.903 0.255 9.899) 15.484 15.182 ( -3.656 -10.127 -4.473) 11.659 15.182 ( 3.656 -10.127 -4.473) 11.659 18.550 ( -0.356 8.703 0.976) 8.765 18.550 ( 0.356 8.703 0.976) 8.765 18.672 ( -1.945 13.376 -2.780) 13.799 18.672 ( 1.945 13.376 -2.780) 13.799 20.336 ( -4.897 -2.095 3.476) 6.360 20.336 ( 4.897 -2.095 3.476) 6.360 20.834 ( -7.803 -3.360 -6.527) 10.713 20.834 ( 7.803 -3.360 -6.527) 10.713 22.004 ( -5.967 0.740 -2.021) 6.344 22.004 ( 5.967 0.740 -2.021) 6.344 22.164 ( -4.806 -0.673 -1.145) 4.986 22.164 ( 4.806 -0.673 -1.145) 4.986 23.195 ( -1.862 0.777 8.290) 8.532 23.195 ( 1.862 0.777 8.290) 8.532 23.787 ( -6.826 -5.595 -4.894) 10.092 23.787 ( 6.826 -5.595 -4.894) 10.092 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.000 8.512 17.198) 19.189 1.859 ( 0.000 9.748 17.840) 20.329 2.301 ( 0.000 3.920 6.400) 7.505 2.586 ( 0.000 11.972 3.974) 12.614 2.630 ( 0.000 2.549 2.054) 3.274 2.639 ( 0.000 -1.088 4.071) 4.214 2.821 ( 0.000 -3.109 -7.142) 7.789 2.970 ( 0.000 6.861 -4.071) 7.978 2.997 ( 0.000 10.793 4.741) 11.789 3.128 ( 0.000 8.533 -1.335) 8.636 3.241 ( 0.000 11.854 -0.901) 11.889 3.349 ( 0.000 8.226 -7.782) 11.324 3.526 ( 0.000 4.245 -1.621) 4.544 3.539 ( 0.000 -1.474 -0.473) 1.548 3.674 ( 0.000 2.861 -1.276) 3.133 3.921 ( 0.000 -3.428 -5.387) 6.385 4.113 ( 0.000 -3.458 -4.129) 5.386 4.318 ( 0.000 -2.315 -3.475) 4.175 4.465 ( 0.000 -1.612 -2.617) 3.073 4.532 ( 0.000 4.290 10.198) 11.064 4.608 ( 0.000 1.244 -5.096) 5.246 4.722 ( 0.000 -3.352 5.468) 6.414 4.754 ( 0.000 2.064 -6.378) 6.704 4.756 ( 0.000 9.014 -7.952) 12.020 4.900 ( 0.000 2.413 -2.358) 3.374 5.036 ( 0.000 -5.746 5.771) 8.144 5.361 ( 0.000 -2.990 0.676) 3.065 5.656 ( 0.000 2.533 -3.229) 4.104 5.686 ( 0.000 0.718 -4.378) 4.437 5.885 ( 0.000 -0.555 -2.121) 2.193 5.939 ( 0.000 3.649 3.744) 5.228 6.151 ( 0.000 1.927 -5.872) 6.180 6.257 ( 0.000 -0.291 -3.065) 3.079 6.326 ( 0.000 2.034 -8.467) 8.707 6.425 ( 0.000 -2.954 0.119) 2.956 6.506 ( 0.000 6.980 4.769) 8.453 6.876 ( 0.000 3.452 -2.891) 4.503 7.015 ( 0.000 3.325 -3.918) 5.139 7.232 ( 0.000 -10.033 -0.327) 10.038 7.293 ( 0.000 -12.586 -1.894) 12.727 7.665 ( 0.000 4.382 6.104) 7.514 7.902 ( 0.000 -3.339 0.222) 3.346 7.917 ( 0.000 -3.887 -0.150) 3.890 7.939 ( 0.000 -2.104 -0.559) 2.177 8.162 ( 0.000 -0.947 -0.489) 1.065 8.204 ( 0.000 -4.268 -2.735) 5.069 8.204 ( 0.000 -6.793 -1.242) 6.906 8.280 ( 0.000 -4.393 -4.176) 6.061 9.369 ( 0.000 5.898 -0.531) 5.922 9.370 ( 0.000 4.376 1.418) 4.600 10.112 ( 0.000 -8.828 -2.790) 9.258 10.178 ( 0.000 -4.996 -4.753) 6.896 10.437 ( 0.000 2.357 -1.403) 2.743 10.443 ( 0.000 7.290 -1.417) 7.426 10.827 ( 0.000 -7.943 3.391) 8.636 10.899 ( 0.000 -1.326 -1.191) 1.783 11.462 ( 0.000 6.479 -2.643) 6.997 11.531 ( 0.000 2.778 -1.663) 3.237 11.584 ( 0.000 4.275 -2.134) 4.778 11.636 ( 0.000 1.598 -4.349) 4.633 12.126 ( 0.000 0.838 -2.171) 2.327 12.155 ( 0.000 8.146 -0.230) 8.149 12.657 ( 0.000 2.736 8.989) 9.396 12.939 ( 0.000 -0.568 2.381) 2.448 13.887 ( 0.000 4.096 12.249) 12.916 14.406 ( 0.000 -6.090 -2.813) 6.709 14.844 ( 0.000 -12.850 6.440) 14.373 15.060 ( 0.000 -12.985 -2.776) 13.278 18.743 ( 0.000 12.716 0.726) 12.737 18.827 ( 0.000 12.492 -0.736) 12.513 18.850 ( 0.000 16.429 -0.781) 16.448 19.123 ( 0.000 18.339 -12.531) 22.211 20.119 ( 0.000 -5.032 0.912) 5.114 20.192 ( 0.000 -4.393 -0.304) 4.404 20.787 ( 0.000 -1.826 -2.340) 2.968 20.935 ( 0.000 -6.064 -4.444) 7.518 21.833 ( 0.000 0.978 1.543) 1.827 21.913 ( 0.000 -0.445 -0.727) 0.853 22.359 ( 0.000 0.331 -0.587) 0.674 22.424 ( 0.000 -1.137 -2.997) 3.205 23.153 ( 0.000 0.355 10.363) 10.369 23.306 ( 0.000 0.670 5.093) 5.137 23.306 ( 0.000 -3.652 4.261) 5.612 23.715 ( 0.000 -9.311 -6.035) 11.096 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 6.177 8.227 14.160) 17.503 1.943 ( 11.059 6.929 15.117) 19.971 2.233 ( -5.853 4.695 5.881) 9.534 2.485 ( -7.956 9.722 7.343) 14.551 2.507 ( -3.931 -1.373 -1.789) 4.531 2.701 ( -6.207 3.064 -2.569) 7.384 2.748 ( -0.727 6.865 -3.194) 7.607 2.904 ( -4.287 5.746 -1.991) 7.440 3.030 ( 6.461 4.583 6.689) 10.367 3.261 ( -0.659 5.117 2.079) 5.562 3.289 ( 7.718 5.273 -4.269) 10.276 3.358 ( 0.093 13.168 -6.731) 14.789 3.444 ( 0.336 -0.081 -2.628) 2.651 3.552 ( -2.951 3.941 -2.589) 5.563 3.771 ( 8.540 0.451 0.382) 8.560 3.977 ( 2.072 -3.608 -3.981) 5.759 4.124 ( 1.305 -0.598 -5.239) 5.432 4.287 ( -2.854 -1.026 -5.257) 6.069 4.444 ( -0.069 -0.368 2.391) 2.420 4.547 ( -0.395 2.022 10.477) 10.677 4.591 ( -0.238 -0.456 -2.501) 2.553 4.668 ( -1.726 2.772 1.729) 3.696 4.738 ( -1.278 9.977 -6.429) 11.937 4.827 ( 1.052 4.181 -7.601) 8.739 4.851 ( -1.782 -0.191 -0.809) 1.967 4.988 ( -3.737 -3.719 2.870) 6.003 5.408 ( 3.837 -2.654 1.103) 4.794 5.616 ( -3.843 0.555 -1.592) 4.196 5.690 ( 0.271 2.349 -3.577) 4.288 5.764 ( -3.909 -0.696 -0.913) 4.074 6.112 ( 8.468 4.235 0.591) 9.487 6.179 ( 2.043 0.117 -6.243) 6.569 6.241 ( -1.247 0.669 -2.083) 2.518 6.324 ( -0.661 1.514 -6.697) 6.897 6.420 ( 0.233 -3.837 0.093) 3.845 6.488 ( -1.740 4.814 3.462) 6.180 6.907 ( 2.661 3.221 -3.004) 5.146 7.011 ( -0.695 3.846 -3.542) 5.274 7.223 ( -0.384 -10.918 -1.501) 11.028 7.275 ( -1.617 -11.737 -2.689) 12.149 7.663 ( 0.566 3.744 6.528) 7.546 7.804 ( -4.911 -0.200 3.016) 5.766 7.949 ( 2.737 -2.840 -0.587) 3.987 8.034 ( 3.643 -2.532 -1.549) 4.699 8.122 ( -1.840 -2.166 -1.733) 3.329 8.187 ( -1.196 -6.246 -3.438) 7.229 8.236 ( 1.677 -7.059 -1.471) 7.403 8.291 ( 0.319 -5.225 -3.619) 6.364 9.358 ( -0.253 4.985 0.745) 5.047 9.374 ( -0.302 5.258 0.424) 5.283 10.164 ( 3.961 -9.649 -4.204) 11.246 10.200 ( 1.731 -6.024 -4.919) 7.968 10.435 ( -0.095 3.575 -1.255) 3.790 10.440 ( -0.167 5.053 -1.155) 5.186 10.787 ( -2.281 -5.140 3.045) 6.396 10.864 ( -3.502 -3.949 -0.722) 5.327 11.461 ( 0.183 6.362 -3.589) 7.306 11.476 ( -1.136 3.220 -3.415) 4.830 11.711 ( 7.916 6.875 -1.629) 10.611 11.761 ( 9.832 2.700 -2.276) 10.447 12.063 ( -5.227 0.309 -1.910) 5.573 12.126 ( -3.728 10.381 -1.434) 11.123 12.621 ( -1.738 -0.793 9.325) 9.519 12.830 ( -8.475 -1.733 3.817) 9.455 13.993 ( 8.568 4.018 11.339) 14.769 14.359 ( -4.818 -2.337 2.158) 5.773 14.864 ( 2.287 -13.852 2.627) 14.283 15.027 ( -3.016 -13.372 -2.724) 13.976 18.746 ( 0.373 12.717 0.710) 12.742 18.790 ( -1.761 13.251 0.155) 13.368 18.901 ( 3.152 15.708 -2.514) 16.217 19.071 ( -4.053 17.608 -9.770) 20.541 20.167 ( 4.687 -3.503 1.578) 6.060 20.280 ( 5.472 -4.087 0.066) 6.830 20.710 ( -4.273 -3.427 -2.320) 5.949 20.891 ( -5.076 -6.476 -5.965) 10.163 21.882 ( 4.842 1.196 0.787) 5.049 21.963 ( 4.461 -0.341 -1.838) 4.837 22.265 ( -7.889 0.202 -0.581) 7.913 22.318 ( -8.299 -0.999 -2.455) 8.712 23.175 ( 2.135 1.495 9.370) 9.726 23.238 ( -0.888 0.934 6.175) 6.308 23.490 ( 9.103 -5.343 1.734) 10.696 23.711 ( -0.914 -9.275 -4.495) 10.347 ======================= Grid point 147 (54/75) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -7.439 6.396 9.074) 13.363 2.080 ( 7.439 6.396 9.074) 13.363 2.237 ( -14.048 6.111 10.019) 18.305 2.237 ( 14.048 6.111 10.019) 18.305 2.527 ( -5.446 1.169 -5.521) 7.842 2.527 ( 5.446 1.169 -5.521) 7.842 2.808 ( -3.704 8.171 0.034) 8.971 2.808 ( 3.704 8.171 0.034) 8.971 3.180 ( -6.108 -1.277 6.396) 8.936 3.180 ( 6.108 -1.277 6.396) 8.936 3.352 ( -0.365 11.726 -6.970) 13.646 3.352 ( 0.365 11.726 -6.970) 13.646 3.512 ( -2.675 2.340 -3.696) 5.128 3.512 ( 2.675 2.340 -3.696) 5.128 3.930 ( -5.447 -1.859 -0.144) 5.757 3.930 ( 5.447 -1.859 -0.144) 5.757 4.198 ( -4.763 0.302 -6.833) 8.335 4.198 ( 4.763 0.302 -6.833) 8.335 4.488 ( -3.623 1.877 8.025) 9.003 4.488 ( 3.623 1.877 8.025) 9.003 4.638 ( -3.037 -1.115 2.479) 4.076 4.638 ( 3.037 -1.115 2.479) 4.076 4.737 ( -3.233 10.830 -6.659) 13.118 4.737 ( 3.233 10.830 -6.659) 13.118 4.912 ( -3.182 -1.197 -2.399) 4.160 4.912 ( 3.182 -1.197 -2.399) 4.160 5.508 ( -5.267 -1.907 0.949) 5.681 5.508 ( 5.267 -1.907 0.949) 5.681 5.713 ( -1.762 1.760 -2.754) 3.713 5.713 ( 1.762 1.760 -2.754) 3.713 6.202 ( -1.780 0.951 -3.913) 4.403 6.202 ( 1.780 0.951 -3.913) 4.403 6.277 ( -4.295 1.786 -2.181) 5.137 6.277 ( 4.295 1.786 -2.181) 5.137 6.444 ( -1.853 -0.893 0.870) 2.233 6.444 ( 1.853 -0.893 0.870) 2.233 6.972 ( -2.853 3.475 -2.903) 5.352 6.972 ( 2.853 3.475 -2.903) 5.352 7.235 ( -1.586 -11.002 -3.165) 11.558 7.235 ( 1.586 -11.002 -3.165) 11.558 7.709 ( -3.611 2.071 5.552) 6.939 7.709 ( 3.611 2.071 5.552) 6.939 8.019 ( -3.320 -0.458 -0.476) 3.385 8.019 ( 3.320 -0.458 -0.476) 3.385 8.147 ( -2.521 -6.648 -4.045) 8.180 8.147 ( 2.521 -6.648 -4.045) 8.180 8.275 ( -1.711 -6.897 -2.470) 7.523 8.275 ( 1.711 -6.897 -2.470) 7.523 9.362 ( -0.551 5.116 0.747) 5.200 9.362 ( 0.551 5.116 0.747) 5.200 10.223 ( -0.543 -8.683 -5.417) 10.248 10.223 ( 0.543 -8.683 -5.417) 10.248 10.437 ( -0.203 3.549 -0.976) 3.686 10.437 ( 0.203 3.549 -0.976) 3.686 10.783 ( -2.516 -4.141 1.290) 5.014 10.783 ( 2.516 -4.141 1.290) 5.014 11.468 ( -0.241 5.360 -4.193) 6.809 11.468 ( 0.241 5.360 -4.193) 6.809 11.905 ( -8.670 5.476 -0.748) 10.282 11.905 ( 8.670 5.476 -0.748) 10.282 11.980 ( -8.991 6.762 -2.522) 11.529 11.980 ( 8.991 6.762 -2.522) 11.529 12.658 ( -5.756 -3.506 7.149) 9.825 12.658 ( 5.756 -3.506 7.149) 9.825 14.199 ( -9.448 2.377 8.618) 13.007 14.199 ( 9.448 2.377 8.618) 13.007 14.942 ( -4.395 -14.096 -1.705) 14.863 14.942 ( 4.395 -14.096 -1.705) 14.863 18.761 ( -1.001 12.864 0.580) 12.916 18.761 ( 1.001 12.864 0.580) 12.916 18.979 ( -4.105 16.486 -5.508) 17.859 18.979 ( 4.105 16.486 -5.508) 17.859 20.289 ( -4.950 -2.179 2.591) 5.997 20.289 ( 4.950 -2.179 2.591) 5.997 20.739 ( -6.991 -6.644 -5.930) 11.322 20.739 ( 6.991 -6.644 -5.930) 11.322 22.024 ( -5.697 1.362 -1.803) 6.129 22.024 ( 5.697 1.362 -1.803) 6.129 22.145 ( -4.721 -1.194 -1.063) 4.984 22.145 ( 4.721 -1.194 -1.063) 4.984 23.220 ( -1.467 1.954 7.562) 7.947 23.220 ( 1.467 1.954 7.562) 7.947 23.650 ( -5.186 -8.197 -1.485) 9.813 23.650 ( 5.186 -8.197 -1.485) 9.813 ======================= Grid point 150 (55/75) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.000 10.975 12.408) 16.565 2.060 ( 0.000 11.329 12.227) 16.668 2.349 ( 0.000 -1.641 4.290) 4.593 2.515 ( 0.000 -10.597 3.650) 11.208 2.548 ( 0.000 -0.539 5.074) 5.103 2.757 ( 0.000 -5.177 -6.668) 8.442 2.821 ( 0.000 8.443 2.125) 8.706 3.062 ( 0.000 -1.569 3.623) 3.948 3.214 ( 0.000 9.738 0.182) 9.740 3.228 ( 0.000 4.733 -4.490) 6.524 3.432 ( 0.000 8.637 3.174) 9.201 3.537 ( 0.000 12.546 -4.594) 13.361 3.578 ( 0.000 2.665 6.463) 6.991 3.648 ( 0.000 5.663 -7.193) 9.155 3.732 ( 0.000 0.892 -4.278) 4.370 3.859 ( 0.000 -2.974 -2.266) 3.739 4.109 ( 0.000 4.285 -4.775) 6.415 4.249 ( 0.000 -3.842 3.092) 4.931 4.403 ( 0.000 -4.115 -0.689) 4.172 4.527 ( 0.000 -8.077 -2.464) 8.445 4.609 ( 0.000 4.560 5.076) 6.823 4.672 ( 0.000 -1.298 1.573) 2.039 4.770 ( 0.000 -0.653 1.361) 1.510 4.907 ( 0.000 -5.457 4.525) 7.089 4.982 ( 0.000 10.638 -7.300) 12.902 5.064 ( 0.000 10.862 -10.989) 15.452 5.339 ( 0.000 1.845 -1.695) 2.506 5.638 ( 0.000 -5.951 -4.853) 7.679 5.738 ( 0.000 5.386 -10.183) 11.519 5.850 ( 0.000 -1.900 -9.131) 9.326 6.012 ( 0.000 3.964 3.282) 5.146 6.160 ( 0.000 -1.333 -3.346) 3.601 6.209 ( 0.000 -1.948 -1.365) 2.379 6.295 ( 0.000 -4.082 -4.240) 5.886 6.471 ( 0.000 5.084 1.679) 5.354 6.670 ( 0.000 4.627 2.993) 5.511 6.875 ( 0.000 -2.772 -1.841) 3.328 6.985 ( 0.000 -5.335 -2.134) 5.746 7.102 ( 0.000 -4.856 -1.997) 5.250 7.116 ( 0.000 -2.018 -1.098) 2.297 7.713 ( 0.000 1.024 3.592) 3.735 7.821 ( 0.000 -4.242 -0.324) 4.255 7.908 ( 0.000 3.188 0.982) 3.336 7.911 ( 0.000 -0.860 0.576) 1.035 8.045 ( 0.000 -6.617 0.809) 6.666 8.124 ( 0.000 -4.940 -0.355) 4.953 8.187 ( 0.000 0.453 -1.352) 1.426 8.208 ( 0.000 -2.150 -2.684) 3.438 9.498 ( 0.000 9.059 -0.021) 9.059 9.504 ( 0.000 8.315 -1.767) 8.500 9.927 ( 0.000 -10.223 -2.045) 10.426 10.006 ( 0.000 -12.053 -3.537) 12.562 10.501 ( 0.000 4.272 0.307) 4.283 10.596 ( 0.000 8.017 -2.680) 8.453 10.698 ( 0.000 -5.722 3.508) 6.712 10.844 ( 0.000 -4.290 -2.472) 4.952 11.526 ( 0.000 2.533 -3.392) 4.234 11.610 ( 0.000 -0.781 -3.156) 3.251 11.642 ( 0.000 5.948 -4.296) 7.337 11.697 ( 0.000 3.284 -5.122) 6.085 12.143 ( 0.000 1.216 2.448) 2.734 12.221 ( 0.000 -0.536 3.792) 3.830 12.761 ( 0.000 7.079 4.407) 8.339 12.925 ( 0.000 -1.190 2.602) 2.861 13.988 ( 0.000 6.380 8.631) 10.733 14.274 ( 0.000 -7.582 0.337) 7.590 14.668 ( 0.000 -5.037 6.163) 7.960 14.820 ( 0.000 -11.327 -0.192) 11.329 19.001 ( 0.000 13.463 -0.804) 13.487 19.059 ( 0.000 10.678 -0.793) 10.708 19.131 ( 0.000 11.512 -1.569) 11.618 19.347 ( 0.000 3.685 -10.688) 11.305 20.051 ( 0.000 -1.191 -1.323) 1.780 20.111 ( 0.000 -3.628 -1.544) 3.943 20.748 ( 0.000 -1.972 -3.378) 3.911 20.813 ( 0.000 -6.073 -3.705) 7.114 21.855 ( 0.000 1.260 1.132) 1.694 21.900 ( 0.000 -0.927 -0.173) 0.943 22.368 ( 0.000 0.614 -1.006) 1.178 22.402 ( 0.000 -1.140 -2.324) 2.589 23.164 ( 0.000 0.907 9.444) 9.487 23.239 ( 0.000 -3.158 6.722) 7.427 23.337 ( 0.000 2.781 3.559) 4.516 23.546 ( 0.000 -8.078 -2.016) 8.326 ======================= Grid point 151 (56/75) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 6.810 8.332 8.180) 13.516 2.118 ( 5.632 10.471 11.141) 16.293 2.319 ( -2.479 2.234 1.568) 3.687 2.439 ( -3.551 -2.834 1.155) 4.688 2.559 ( -1.647 -3.057 3.081) 4.642 2.689 ( -6.770 -3.202 1.625) 7.663 2.796 ( -2.555 -0.488 -0.163) 2.606 2.879 ( -11.197 -3.937 0.099) 11.869 3.231 ( 2.627 11.012 3.436) 11.831 3.292 ( 2.254 2.674 2.641) 4.382 3.453 ( 2.540 6.571 2.483) 7.470 3.553 ( 0.645 10.968 -5.423) 12.253 3.570 ( 1.247 6.461 -3.669) 7.534 3.681 ( -0.945 6.612 -3.311) 7.455 3.791 ( 5.599 1.574 1.085) 5.917 3.889 ( 1.890 -5.301 -1.956) 5.958 4.164 ( 3.596 5.090 -4.797) 7.865 4.259 ( 0.170 -1.154 -0.315) 1.208 4.396 ( 0.884 -4.255 1.318) 4.541 4.514 ( -0.923 -7.099 -2.544) 7.597 4.598 ( -0.209 3.827 5.508) 6.710 4.682 ( -0.167 0.944 3.406) 3.539 4.795 ( 1.581 -2.905 -0.418) 3.334 4.881 ( -2.067 -4.014 2.934) 5.384 4.998 ( 1.363 11.481 -7.542) 13.804 5.050 ( -1.060 13.207 -10.413) 16.852 5.373 ( 2.460 -0.451 -1.603) 2.971 5.586 ( -6.353 -5.078 -5.749) 9.960 5.733 ( 0.914 2.709 -4.944) 5.711 5.768 ( -0.611 1.489 -6.489) 6.686 6.119 ( 0.818 -3.172 -2.181) 3.936 6.173 ( -1.402 -2.287 -5.412) 6.040 6.216 ( 4.086 1.429 -0.378) 4.345 6.309 ( 2.857 -1.614 -2.813) 4.322 6.454 ( -0.807 4.541 2.749) 5.369 6.623 ( -4.175 3.876 2.673) 6.293 6.901 ( 2.380 -2.775 -1.275) 3.871 7.006 ( 1.764 -6.636 -3.150) 7.554 7.052 ( -3.290 -2.500 -0.506) 4.162 7.110 ( -1.518 -4.494 -3.331) 5.796 7.727 ( 1.411 3.191 4.235) 5.487 7.815 ( -1.101 0.671 1.474) 1.958 7.919 ( 2.355 0.541 0.122) 2.419 7.961 ( 3.183 -3.979 -0.597) 5.131 8.051 ( 0.301 -5.353 -0.089) 5.363 8.114 ( -2.463 -3.420 -1.345) 4.424 8.138 ( -1.507 -1.458 -0.233) 2.110 8.203 ( -1.327 -3.556 -2.447) 4.516 9.492 ( 0.065 9.277 -0.507) 9.291 9.512 ( 0.005 9.204 -1.197) 9.281 9.954 ( 2.197 -11.950 -2.774) 12.463 10.008 ( 0.061 -12.952 -3.641) 13.455 10.504 ( 0.467 4.352 -0.094) 4.378 10.568 ( -2.129 6.917 -2.094) 7.534 10.689 ( -0.331 -4.826 2.627) 5.505 10.792 ( -4.102 -4.311 -1.479) 6.132 11.546 ( 2.168 4.775 -4.188) 6.711 11.600 ( -0.018 6.696 -4.892) 8.293 11.729 ( 6.203 -1.775 -3.833) 7.505 11.816 ( 7.500 -0.603 -5.707) 9.444 12.115 ( -0.510 5.405 4.745) 7.210 12.259 ( 2.555 2.280 2.241) 4.093 12.642 ( -9.015 3.418 6.040) 11.377 12.791 ( -10.680 -2.569 3.632) 11.570 14.096 ( 8.518 6.707 8.086) 13.525 14.323 ( 2.600 -2.060 1.768) 3.759 14.638 ( -1.541 -8.469 4.986) 9.948 14.777 ( -3.862 -12.057 -0.076) 12.661 19.002 ( 0.196 13.222 -0.648) 13.239 19.039 ( -1.386 11.981 -0.500) 12.071 19.156 ( 2.087 9.260 -2.799) 9.896 19.297 ( -3.792 4.585 -8.591) 10.450 20.128 ( 6.681 0.225 -0.631) 6.715 20.214 ( 7.891 -2.537 -1.957) 8.517 20.642 ( -7.529 -3.011 -2.154) 8.390 20.753 ( -6.294 -7.531 -4.922) 10.980 21.907 ( 5.011 1.403 0.393) 5.219 21.953 ( 4.788 -0.808 -1.042) 4.966 22.271 ( -8.055 0.475 -0.995) 8.130 22.299 ( -8.194 -0.966 -2.004) 8.490 23.210 ( 3.607 2.213 8.310) 9.326 23.265 ( 1.576 1.501 5.611) 6.018 23.399 ( 4.678 -3.318 3.701) 6.825 23.540 ( -0.873 -8.222 -0.673) 8.295 ======================= Grid point 152 (57/75) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -5.602 8.117 3.802) 10.570 2.218 ( 5.602 8.117 3.802) 10.570 2.334 ( -10.966 4.130 3.419) 12.206 2.334 ( 10.966 4.130 3.419) 12.206 2.524 ( -5.435 -1.028 0.918) 5.607 2.524 ( 5.435 -1.028 0.918) 5.607 2.760 ( -1.449 -10.318 1.799) 10.573 2.760 ( 1.449 -10.318 1.799) 10.573 3.288 ( -2.010 10.472 7.641) 13.119 3.288 ( 2.010 10.472 7.641) 13.119 3.532 ( -2.812 3.698 -5.343) 7.080 3.532 ( 2.812 3.698 -5.343) 7.080 3.626 ( -3.923 8.849 -2.704) 10.051 3.626 ( 3.923 8.849 -2.704) 10.051 3.888 ( -2.805 -2.305 0.471) 3.661 3.888 ( 2.805 -2.305 0.471) 3.661 4.229 ( -2.603 3.305 -4.175) 5.927 4.229 ( 2.603 3.305 -4.175) 5.927 4.464 ( -3.999 -5.125 0.651) 6.533 4.464 ( 3.999 -5.125 0.651) 6.533 4.639 ( -3.424 3.077 5.582) 7.236 4.639 ( 3.424 3.077 5.582) 7.236 4.831 ( -2.174 -3.686 -0.774) 4.349 4.831 ( 2.174 -3.686 -0.774) 4.349 5.028 ( -1.159 14.472 -8.567) 16.858 5.028 ( 1.159 14.472 -8.567) 16.858 5.444 ( -5.004 -5.247 -3.517) 8.059 5.444 ( 5.004 -5.247 -3.517) 8.059 5.777 ( -1.547 5.288 -4.099) 6.867 5.777 ( 1.547 5.288 -4.099) 6.867 6.106 ( -1.618 -8.487 -4.278) 9.641 6.106 ( 1.618 -8.487 -4.278) 9.641 6.327 ( -3.057 3.944 -2.073) 5.404 6.327 ( 3.057 3.944 -2.073) 5.404 6.507 ( -5.731 2.695 3.095) 7.049 6.507 ( 5.731 2.695 3.095) 7.049 6.971 ( -3.803 -3.224 -0.447) 5.005 6.971 ( 3.803 -3.224 -0.447) 5.005 7.059 ( -2.736 -5.637 -4.250) 7.571 7.059 ( 2.736 -5.637 -4.250) 7.571 7.772 ( -2.482 4.582 3.781) 6.438 7.772 ( 2.482 4.582 3.781) 6.438 7.995 ( -2.919 -4.883 -1.266) 5.828 7.995 ( 2.919 -4.883 -1.266) 5.828 8.044 ( -0.467 -0.827 -0.697) 1.178 8.044 ( 0.467 -0.827 -0.697) 1.178 8.159 ( -2.202 -5.236 -1.357) 5.840 8.159 ( 2.202 -5.236 -1.357) 5.840 9.502 ( -0.701 9.768 -0.804) 9.826 9.502 ( 0.701 9.768 -0.804) 9.826 9.997 ( -1.319 -13.816 -3.627) 14.345 9.997 ( 1.319 -13.816 -3.627) 14.345 10.526 ( -1.539 5.204 -1.064) 5.530 10.526 ( 1.539 5.204 -1.064) 5.530 10.710 ( -2.680 -4.001 0.655) 4.860 10.710 ( 2.680 -4.001 0.655) 4.860 11.591 ( -1.321 7.276 -5.091) 8.978 11.591 ( 1.321 7.276 -5.091) 8.978 11.854 ( -4.023 -5.309 -4.978) 8.316 11.854 ( 4.023 -5.309 -4.978) 8.316 12.222 ( -8.042 12.686 2.690) 15.260 12.222 ( 8.042 12.686 2.690) 15.260 12.571 ( -6.405 -5.816 6.738) 10.966 12.571 ( 6.405 -5.816 6.738) 10.966 14.280 ( -6.882 6.323 6.389) 11.321 14.280 ( 6.882 6.323 6.389) 11.321 14.674 ( -4.680 -13.543 0.978) 14.362 14.674 ( 4.680 -13.543 0.978) 14.362 19.013 ( -0.892 12.780 -0.441) 12.819 19.013 ( 0.892 12.780 -0.441) 12.819 19.216 ( -3.415 6.606 -5.325) 9.146 19.216 ( 3.415 6.606 -5.325) 9.146 20.287 ( -5.126 2.836 0.318) 5.867 20.287 ( 5.126 2.836 0.318) 5.867 20.585 ( -6.051 -9.221 -4.881) 12.061 20.585 ( 6.051 -9.221 -4.881) 12.061 22.054 ( -5.315 1.714 -1.503) 5.784 22.054 ( 5.315 1.714 -1.503) 5.784 22.119 ( -4.742 -1.546 -1.059) 5.099 22.119 ( 4.742 -1.546 -1.059) 5.099 23.273 ( -1.399 3.694 6.323) 7.455 23.273 ( 1.399 3.694 6.323) 7.455 23.494 ( -3.514 -7.755 1.904) 8.724 23.494 ( 3.514 -7.755 1.904) 8.724 ======================= Grid point 155 (58/75) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 0.000 -8.842 6.754) 11.127 2.204 ( 0.000 8.842 6.754) 11.127 2.296 ( 0.000 -10.826 8.289) 13.635 2.296 ( 0.000 10.826 8.289) 13.635 2.633 ( 0.000 -6.981 -0.275) 6.986 2.633 ( 0.000 6.981 -0.275) 6.986 2.958 ( 0.000 -6.733 1.977) 7.017 2.958 ( 0.000 6.733 1.978) 7.017 3.307 ( 0.000 -0.712 -3.895) 3.960 3.307 ( 0.000 0.712 -3.895) 3.960 3.563 ( 0.000 -4.317 3.356) 5.468 3.563 ( 0.000 4.317 3.356) 5.468 3.704 ( 0.000 -1.815 -5.465) 5.758 3.704 ( 0.000 1.815 -5.465) 5.758 3.762 ( 0.000 -8.690 0.745) 8.722 3.762 ( 0.000 8.690 0.745) 8.722 4.210 ( 0.000 -2.332 0.669) 2.426 4.210 ( 0.000 2.332 0.669) 2.426 4.375 ( 0.000 -4.534 -1.201) 4.690 4.375 ( 0.000 4.534 -1.201) 4.690 4.670 ( 0.000 -0.220 -2.528) 2.538 4.670 ( 0.000 0.220 -2.528) 2.538 4.789 ( 0.000 -4.714 7.768) 9.086 4.789 ( 0.000 4.714 7.768) 9.086 5.142 ( 0.000 -3.557 -10.004) 10.617 5.142 ( 0.000 3.557 -10.004) 10.617 5.472 ( 0.000 -10.345 -3.442) 10.902 5.472 ( 0.000 10.345 -3.442) 10.902 5.820 ( 0.000 -2.324 -13.162) 13.366 5.820 ( 0.000 2.324 -13.162) 13.366 6.095 ( 0.000 -4.799 0.721) 4.853 6.095 ( 0.000 4.799 0.721) 4.853 6.221 ( 0.000 -2.990 -1.025) 3.161 6.221 ( 0.000 2.990 -1.025) 3.161 6.582 ( 0.000 -7.587 -1.272) 7.693 6.582 ( 0.000 7.587 -1.272) 7.693 6.911 ( 0.000 -3.298 1.608) 3.669 6.911 ( 0.000 3.298 1.608) 3.669 7.081 ( 0.000 -1.343 -2.295) 2.659 7.081 ( 0.000 1.343 -2.295) 2.659 7.748 ( 0.000 -3.079 1.640) 3.488 7.748 ( 0.000 3.079 1.640) 3.488 7.933 ( 0.000 -3.057 1.259) 3.306 7.933 ( 0.000 3.057 1.259) 3.306 8.016 ( 0.000 -5.528 0.282) 5.535 8.016 ( 0.000 5.528 0.282) 5.535 8.193 ( 0.000 -0.201 -1.465) 1.478 8.193 ( 0.000 0.201 -1.465) 1.478 9.648 ( 0.000 -1.368 -2.439) 2.796 9.648 ( 0.000 1.368 -2.439) 2.796 9.794 ( 0.000 -4.076 -1.088) 4.219 9.794 ( 0.000 4.076 -1.088) 4.219 10.592 ( 0.000 -5.152 2.040) 5.541 10.592 ( 0.000 5.152 2.040) 5.541 10.740 ( 0.000 -6.541 -3.032) 7.210 10.740 ( 0.000 6.541 -3.032) 7.210 11.576 ( 0.000 -2.523 -3.442) 4.267 11.576 ( 0.000 2.523 -3.442) 4.267 11.717 ( 0.000 -1.541 -6.186) 6.375 11.717 ( 0.000 1.541 -6.186) 6.375 12.181 ( 0.000 -2.679 5.725) 6.321 12.181 ( 0.000 2.679 5.725) 6.321 12.876 ( 0.000 -4.342 2.571) 5.046 12.876 ( 0.000 4.342 2.571) 5.046 14.125 ( 0.000 -7.802 4.351) 8.933 14.125 ( 0.000 7.802 4.351) 8.933 14.663 ( 0.000 -4.432 3.168) 5.448 14.663 ( 0.000 4.432 3.168) 5.448 19.175 ( 0.000 -0.883 -1.786) 1.992 19.175 ( 0.000 0.883 -1.786) 1.992 19.285 ( 0.000 -7.225 -3.825) 8.175 19.285 ( 0.000 7.225 -3.825) 8.175 20.063 ( 0.000 -1.619 -3.184) 3.572 20.063 ( 0.000 1.619 -3.184) 3.572 20.736 ( 0.000 -1.483 -3.629) 3.920 20.736 ( 0.000 1.483 -3.629) 3.920 21.879 ( 0.000 -1.252 0.502) 1.348 21.879 ( 0.000 1.252 0.502) 1.348 22.382 ( 0.000 -0.908 -1.607) 1.846 22.382 ( 0.000 0.908 -1.607) 1.846 23.191 ( 0.000 -1.945 8.375) 8.598 23.191 ( 0.000 1.945 8.375) 8.598 23.416 ( 0.000 -5.490 1.159) 5.611 23.416 ( 0.000 5.490 1.159) 5.611 ======================= Grid point 157 (59/75) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 3.490 -6.749 3.501) 8.366 2.233 ( 3.490 6.749 3.501) 8.366 2.336 ( 3.352 -9.514 5.253) 11.373 2.336 ( 3.352 9.514 5.253) 11.373 2.579 ( -4.185 -6.591 1.934) 8.044 2.579 ( -4.185 6.591 1.934) 8.044 2.814 ( -12.501 -2.551 1.758) 12.879 2.814 ( -12.501 2.551 1.758) 12.879 3.340 ( 5.034 -0.879 -0.774) 5.169 3.340 ( 5.034 0.879 -0.774) 5.169 3.557 ( -1.768 -5.278 2.813) 6.237 3.557 ( -1.768 5.278 2.813) 6.237 3.762 ( 2.091 -8.515 -3.029) 9.276 3.762 ( 2.091 8.515 -3.029) 9.276 3.784 ( 2.809 -3.189 -0.715) 4.310 3.784 ( 2.809 3.189 -0.715) 4.310 4.260 ( 3.856 -2.359 1.184) 4.673 4.260 ( 3.856 2.359 1.184) 4.673 4.364 ( -0.807 -5.808 -2.237) 6.276 4.364 ( -0.807 5.808 -2.237) 6.276 4.679 ( 1.225 -3.581 -1.843) 4.210 4.679 ( 1.225 3.581 -1.843) 4.210 4.784 ( -1.028 -4.095 5.568) 6.987 4.784 ( -1.028 4.095 5.568) 6.987 5.172 ( 3.137 -3.452 -9.099) 10.225 5.172 ( 3.137 3.452 -9.099) 10.225 5.442 ( -4.842 -8.266 -4.717) 10.678 5.442 ( -4.842 8.266 -4.717) 10.678 5.780 ( 1.698 -1.685 -8.004) 8.354 5.780 ( 1.698 1.685 -8.004) 8.354 6.100 ( -5.343 -2.944 -2.636) 6.646 6.100 ( -5.343 2.944 -2.636) 6.646 6.279 ( 7.698 -3.179 -0.222) 8.332 6.279 ( 7.698 3.179 -0.222) 8.332 6.549 ( -3.099 -6.864 -0.760) 7.569 6.549 ( -3.099 6.864 -0.760) 7.569 6.923 ( 1.332 -3.062 0.516) 3.379 6.923 ( 1.332 3.062 0.516) 3.379 7.047 ( -2.899 -2.104 -2.011) 4.108 7.047 ( -2.899 2.104 -2.011) 4.108 7.792 ( 3.633 -3.176 1.571) 5.075 7.792 ( 3.633 3.176 1.571) 5.075 7.929 ( -0.906 -0.758 1.184) 1.673 7.929 ( -0.906 0.758 1.184) 1.673 8.023 ( 1.206 -3.750 0.104) 3.940 8.023 ( 1.206 3.750 0.104) 3.940 8.156 ( -3.143 -1.749 -1.420) 3.867 8.156 ( -3.143 1.749 -1.420) 3.867 9.673 ( 2.177 -2.938 -2.434) 4.393 9.673 ( 2.177 2.938 -2.434) 4.393 9.777 ( -1.572 -4.134 -1.500) 4.670 9.777 ( -1.572 4.134 -1.500) 4.670 10.594 ( 0.434 -4.799 1.327) 4.999 10.594 ( 0.434 4.799 1.327) 4.999 10.695 ( -3.471 -5.856 -2.146) 7.137 10.695 ( -3.471 5.856 -2.146) 7.137 11.636 ( 4.620 -3.850 -4.308) 7.398 11.636 ( 4.620 3.850 -4.308) 7.398 11.750 ( 1.698 -4.895 -6.243) 8.113 11.750 ( 1.698 4.895 -6.243) 8.113 12.224 ( 5.101 -4.815 6.200) 9.362 12.224 ( 5.101 4.815 6.200) 9.362 12.726 ( -12.333 -4.319 3.395) 13.501 12.726 ( -12.333 4.319 3.395) 13.501 14.236 ( 8.840 -7.143 4.066) 12.071 14.236 ( 8.840 7.143 4.066) 12.071 14.603 ( -5.402 -4.922 3.332) 8.031 14.603 ( -5.402 4.922 3.332) 8.031 19.182 ( 0.709 -2.310 -1.978) 3.123 19.182 ( 0.709 2.310 -1.978) 3.123 19.256 ( -2.269 -6.135 -3.360) 7.353 19.256 ( -2.269 6.135 -3.360) 7.353 20.168 ( 8.982 -2.821 -3.103) 9.912 20.168 ( 8.982 2.821 -3.103) 9.912 20.638 ( -8.563 -3.404 -3.196) 9.754 20.638 ( -8.563 3.404 -3.196) 9.754 21.933 ( 5.011 -1.238 -0.242) 5.167 21.933 ( 5.011 1.238 -0.242) 5.167 22.283 ( -8.134 -0.750 -1.494) 8.304 22.283 ( -8.134 0.750 -1.494) 8.304 23.257 ( 5.138 -2.338 6.961) 8.963 23.257 ( 5.138 2.338 6.961) 8.963 23.413 ( -0.758 -4.659 2.232) 5.221 23.413 ( -0.758 4.659 2.232) 5.221 ======================= Grid point 159 (60/75) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -3.182 -3.498 -1.534) 4.971 2.351 ( -2.103 -3.287 -1.534) 4.193 2.351 ( 2.103 3.287 -1.534) 4.193 2.351 ( 3.182 3.498 -1.534) 4.971 2.564 ( -5.279 -7.141 6.143) 10.798 2.564 ( 0.461 -6.639 6.143) 9.057 2.564 ( -0.461 6.639 6.143) 9.057 2.564 ( 5.279 7.141 6.143) 10.798 3.472 ( -4.376 -7.505 2.078) 8.932 3.472 ( 1.318 -7.209 2.078) 7.618 3.472 ( -1.318 7.209 2.078) 7.618 3.472 ( 4.376 7.505 2.078) 8.932 3.803 ( -1.241 -7.558 -1.732) 7.852 3.803 ( 1.215 -7.557 -1.732) 7.847 3.803 ( -1.215 7.557 -1.732) 7.847 3.803 ( 1.241 7.558 -1.732) 7.852 4.334 ( -1.918 -7.198 -0.837) 7.496 4.334 ( 1.528 -7.175 -0.837) 7.383 4.334 ( -1.528 7.175 -0.837) 7.383 4.334 ( 1.918 7.198 -0.837) 7.496 4.732 ( -2.717 -5.723 1.186) 6.446 4.732 ( 1.739 -5.627 1.186) 6.008 4.732 ( -1.739 5.627 1.186) 6.008 4.732 ( 2.717 5.723 1.186) 6.446 5.287 ( -4.483 -11.021 -7.200) 13.907 5.287 ( 0.518 -10.794 -7.200) 12.985 5.287 ( -0.518 10.794 -7.200) 12.985 5.287 ( 4.483 11.021 -7.200) 13.907 5.923 ( -5.835 -8.889 -3.671) 11.249 5.923 ( -1.895 -8.450 -3.671) 9.406 5.923 ( 1.895 8.450 -3.671) 9.406 5.923 ( 5.835 8.889 -3.671) 11.249 6.445 ( -5.361 -6.991 -0.498) 8.824 6.445 ( 1.487 -6.499 -0.498) 6.686 6.445 ( -1.487 6.499 -0.498) 6.686 6.445 ( 5.361 6.991 -0.498) 8.824 6.975 ( -2.722 -3.581 -1.136) 4.640 6.975 ( 0.903 -3.343 -1.136) 3.645 6.975 ( -0.903 3.343 -1.136) 3.645 6.975 ( 2.722 3.581 -1.136) 4.640 7.877 ( -2.452 -6.088 1.506) 6.734 7.877 ( 0.776 -5.976 1.506) 6.212 7.877 ( -0.776 5.976 1.506) 6.212 7.877 ( 2.452 6.088 1.506) 6.734 8.078 ( -3.229 -3.114 -0.906) 4.576 8.078 ( 1.250 -2.735 -0.906) 3.141 8.078 ( -1.250 2.735 -0.906) 3.141 8.078 ( 3.229 3.114 -0.906) 4.576 9.729 ( -1.034 -13.548 -2.168) 13.759 9.729 ( 0.557 -13.541 -2.168) 13.725 9.729 ( -0.557 13.541 -2.168) 13.725 9.729 ( 1.034 13.548 -2.168) 13.759 10.624 ( -2.463 -4.973 -0.353) 5.560 10.624 ( 2.352 -4.959 -0.353) 5.500 10.624 ( -2.352 4.959 -0.353) 5.500 10.624 ( 2.463 4.973 -0.353) 5.560 11.732 ( -2.717 -7.112 -5.428) 9.350 11.732 ( 1.903 -7.045 -5.428) 9.095 11.732 ( -1.903 7.045 -5.428) 9.095 11.732 ( 2.717 7.112 -5.428) 9.350 12.430 ( -11.096 -8.338 5.128) 14.797 12.430 ( -2.829 -6.384 5.128) 8.663 12.430 ( 2.829 6.384 5.128) 8.663 12.430 ( 11.096 8.338 5.128) 14.797 14.441 ( -7.142 -10.150 3.676) 12.944 14.441 ( 1.464 -9.529 3.676) 10.318 14.441 ( -1.464 9.529 3.676) 10.318 14.441 ( 7.142 10.150 3.676) 12.944 19.209 ( -1.276 -6.535 -2.551) 7.130 19.209 ( 0.990 -6.522 -2.551) 7.073 19.209 ( -0.990 6.522 -2.551) 7.073 19.209 ( 1.276 6.535 -2.551) 7.130 20.405 ( -9.409 -8.062 -2.905) 12.727 20.405 ( -2.875 -6.703 -2.905) 7.851 20.405 ( 2.875 6.703 -2.905) 7.851 20.405 ( 9.409 8.062 -2.905) 12.727 22.088 ( -8.610 -1.312 -1.218) 8.794 22.088 ( -8.228 0.338 -1.218) 8.325 22.088 ( 8.228 -0.338 -1.218) 8.325 22.088 ( 8.610 1.312 -1.218) 8.794 23.363 ( -2.886 -5.671 4.492) 7.789 23.363 ( 0.957 -5.505 4.492) 7.170 23.363 ( -0.957 5.505 4.492) 7.170 23.363 ( 2.886 5.671 4.492) 7.789 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.000 0.000 19.799) 19.799 2.096 ( 0.000 0.000 17.860) 17.860 2.218 ( 0.000 0.000 6.584) 6.584 2.262 ( 0.000 0.000 -1.447) 1.447 2.337 ( 0.000 0.000 -3.027) 3.027 2.476 ( 0.000 0.000 -13.857) 13.857 2.760 ( 0.000 0.000 -4.606) 4.606 2.779 ( 0.000 0.000 5.202) 5.202 2.785 ( 0.000 0.000 -8.726) 8.726 2.864 ( 0.000 0.000 -0.453) 0.453 2.892 ( 0.000 0.000 -6.088) 6.088 2.921 ( 0.000 0.000 -3.368) 3.368 3.669 ( 0.000 0.000 2.651) 2.651 3.671 ( 0.000 0.000 1.001) 1.001 3.730 ( 0.000 0.000 4.740) 4.740 3.863 ( 0.000 0.000 -7.364) 7.364 4.208 ( 0.000 0.000 -0.344) 0.344 4.236 ( 0.000 0.000 -3.886) 3.886 4.334 ( 0.000 0.000 -2.787) 2.787 4.341 ( 0.000 0.000 2.048) 2.048 4.355 ( 0.000 0.000 -3.406) 3.406 4.423 ( 0.000 0.000 -5.906) 5.906 4.936 ( 0.000 0.000 1.671) 1.671 4.938 ( 0.000 0.000 4.735) 4.735 4.982 ( 0.000 0.000 12.264) 12.264 5.286 ( 0.000 0.000 -5.987) 5.987 5.509 ( 0.000 0.000 3.441) 3.441 5.560 ( 0.000 0.000 -1.388) 1.388 5.854 ( 0.000 0.000 3.473) 3.473 5.876 ( 0.000 0.000 1.616) 1.616 5.905 ( 0.000 0.000 6.603) 6.603 5.956 ( 0.000 0.000 -0.136) 0.136 6.051 ( 0.000 0.000 -3.365) 3.365 6.074 ( 0.000 0.000 -9.502) 9.502 6.465 ( 0.000 0.000 -1.797) 1.797 6.513 ( 0.000 0.000 -4.985) 4.985 6.713 ( 0.000 0.000 -1.202) 1.202 6.727 ( 0.000 0.000 -2.759) 2.759 7.517 ( 0.000 0.000 1.659) 1.659 7.549 ( 0.000 0.000 -1.432) 1.432 7.729 ( 0.000 0.000 9.396) 9.396 7.879 ( 0.000 0.000 -4.332) 4.332 8.029 ( 0.000 0.000 0.195) 0.195 8.040 ( 0.000 0.000 -0.746) 0.746 8.143 ( 0.000 0.000 1.876) 1.876 8.220 ( 0.000 0.000 -5.754) 5.754 8.287 ( 0.000 0.000 -0.170) 0.170 8.333 ( 0.000 0.000 -4.550) 4.550 9.313 ( 0.000 0.000 3.123) 3.123 9.343 ( 0.000 0.000 0.295) 0.295 10.158 ( 0.000 0.000 2.421) 2.421 10.250 ( 0.000 0.000 -6.239) 6.239 10.318 ( 0.000 0.000 0.398) 0.398 10.328 ( 0.000 0.000 -0.507) 0.507 10.933 ( 0.000 0.000 2.810) 2.810 11.003 ( 0.000 0.000 -3.963) 3.963 11.347 ( 0.000 0.000 7.528) 7.528 11.461 ( 0.000 0.000 2.016) 2.016 11.493 ( 0.000 0.000 -6.310) 6.310 11.524 ( 0.000 0.000 -3.579) 3.579 11.883 ( 0.000 0.000 4.476) 4.476 11.988 ( 0.000 0.000 -5.389) 5.389 12.841 ( 0.000 0.000 7.149) 7.149 12.945 ( 0.000 0.000 -2.742) 2.742 14.124 ( 0.000 0.000 13.831) 13.831 14.374 ( 0.000 0.000 -9.805) 9.805 15.245 ( 0.000 0.000 0.147) 0.147 15.277 ( 0.000 0.000 -3.090) 3.090 18.473 ( 0.000 0.000 1.386) 1.386 18.497 ( 0.000 0.000 1.394) 1.394 18.502 ( 0.000 0.000 -1.355) 1.355 18.525 ( 0.000 0.000 -1.279) 1.279 20.265 ( 0.000 0.000 1.148) 1.148 20.286 ( 0.000 0.000 -0.730) 0.730 20.844 ( 0.000 0.000 3.224) 3.224 20.940 ( 0.000 0.000 -5.532) 5.532 21.851 ( 0.000 0.000 1.823) 1.823 21.888 ( 0.000 0.000 -1.680) 1.680 22.357 ( 0.000 0.000 0.736) 0.736 22.388 ( 0.000 0.000 -2.225) 2.225 23.346 ( 0.000 0.000 5.196) 5.196 23.395 ( 0.000 0.000 -0.701) 0.701 23.449 ( 0.000 0.000 9.773) 9.773 23.688 ( 0.000 0.000 -12.124) 12.124 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.799 0.000 16.358) 16.378 2.182 ( -2.904 0.000 7.250) 7.810 2.196 ( 7.229 0.000 13.967) 15.727 2.304 ( 3.419 0.000 -1.006) 3.564 2.354 ( 0.748 0.000 1.187) 1.403 2.450 ( -2.253 0.000 -9.950) 10.202 2.501 ( -14.027 0.000 -2.901) 14.323 2.536 ( -9.965 0.000 -4.615) 10.982 2.765 ( 0.439 0.000 -5.904) 5.920 2.786 ( -0.127 0.000 -8.877) 8.878 3.171 ( 10.851 0.000 3.839) 11.510 3.231 ( 11.313 0.000 -2.830) 11.662 3.665 ( 0.586 0.000 2.257) 2.331 3.689 ( 1.709 0.000 0.099) 1.712 3.794 ( 5.673 0.000 4.305) 7.122 3.916 ( 4.495 0.000 -6.693) 8.062 4.130 ( -6.028 0.000 0.604) 6.058 4.187 ( -4.483 0.000 -4.938) 6.669 4.343 ( 1.243 0.000 -2.234) 2.556 4.365 ( 1.555 0.000 0.351) 1.594 4.371 ( 0.894 0.000 -3.930) 4.030 4.416 ( -0.641 0.000 -4.681) 4.725 4.887 ( -2.975 0.000 3.637) 4.699 4.911 ( -3.434 0.000 0.491) 3.469 4.947 ( -1.360 0.000 14.889) 14.951 5.177 ( -8.922 0.000 0.215) 8.924 5.522 ( 1.038 0.000 2.882) 3.063 5.558 ( -0.241 0.000 -0.589) 0.637 5.814 ( -1.189 0.000 -1.778) 2.139 5.853 ( -0.016 0.000 3.158) 3.158 5.868 ( -0.604 0.000 1.913) 2.006 5.943 ( -4.924 0.000 -10.210) 11.335 6.144 ( 9.019 0.000 2.600) 9.387 6.209 ( 6.517 0.000 -2.004) 6.819 6.469 ( 0.422 0.000 -2.092) 2.135 6.515 ( -0.215 0.000 -4.960) 4.965 6.715 ( 0.150 0.000 -1.530) 1.537 6.725 ( -0.206 0.000 -2.620) 2.628 7.492 ( -1.655 0.000 1.236) 2.066 7.516 ( -2.468 0.000 -0.965) 2.650 7.751 ( 1.955 0.000 8.005) 8.240 7.857 ( -1.960 0.000 -1.302) 2.353 8.034 ( 0.732 0.000 0.813) 1.094 8.049 ( 0.428 0.000 -0.611) 0.746 8.157 ( 1.126 0.000 -0.212) 1.146 8.210 ( -0.872 0.000 -5.213) 5.285 8.322 ( 2.426 0.000 -1.436) 2.819 8.355 ( 1.369 0.000 -4.614) 4.813 9.320 ( 0.562 0.000 2.705) 2.763 9.341 ( -0.214 0.000 0.713) 0.745 10.167 ( 0.831 0.000 1.236) 1.490 10.232 ( -1.550 0.000 -4.849) 5.091 10.371 ( 4.178 0.000 0.521) 4.210 10.385 ( 4.427 0.000 -0.799) 4.499 10.912 ( -1.484 0.000 2.392) 2.815 10.976 ( -2.606 0.000 -3.901) 4.691 11.368 ( 1.847 0.000 5.791) 6.078 11.457 ( -0.026 0.000 1.291) 1.292 11.470 ( -1.959 0.000 -3.675) 4.165 11.504 ( -1.605 0.000 -2.876) 3.294 11.902 ( 1.593 0.000 2.310) 2.806 11.975 ( -1.138 0.000 -4.391) 4.536 12.822 ( -1.142 0.000 5.817) 5.928 12.894 ( -3.862 0.000 -1.040) 3.999 14.197 ( 5.997 0.000 11.400) 12.881 14.382 ( -0.105 0.000 -5.790) 5.791 15.203 ( -2.581 0.000 -0.121) 2.584 15.245 ( -2.846 0.000 -3.875) 4.808 18.475 ( 0.169 0.000 1.286) 1.297 18.489 ( -0.431 0.000 0.797) 0.906 18.510 ( 0.425 0.000 -0.748) 0.860 18.523 ( -0.158 0.000 -1.189) 1.200 20.315 ( 4.979 0.000 3.036) 5.832 20.371 ( 6.135 0.000 -1.892) 6.420 20.780 ( -4.818 0.000 2.936) 5.642 20.881 ( -5.440 0.000 -6.168) 8.224 21.883 ( 3.242 0.000 1.478) 3.563 21.919 ( 2.929 0.000 -1.990) 3.541 22.266 ( -7.342 0.000 0.627) 7.369 22.291 ( -7.653 0.000 -1.834) 7.869 23.336 ( -0.535 0.000 5.868) 5.892 23.345 ( -0.223 0.000 3.881) 3.887 23.601 ( 7.906 0.000 1.495) 8.046 23.726 ( 2.068 0.000 -9.235) 9.463 ======================= Grid point 182 (63/75) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -2.711 0.000 10.956) 11.287 2.116 ( 2.711 0.000 10.956) 11.287 2.297 ( -4.239 0.000 2.064) 4.715 2.297 ( 4.239 0.000 2.064) 4.715 2.385 ( -3.653 0.000 -4.027) 5.437 2.385 ( 3.653 0.000 -4.027) 5.437 2.416 ( -4.395 0.000 0.428) 4.416 2.416 ( 4.395 0.000 0.428) 4.416 2.777 ( -0.620 0.000 -7.911) 7.935 2.777 ( 0.620 0.000 -7.911) 7.935 3.311 ( -2.450 0.000 0.698) 2.547 3.311 ( 2.450 0.000 0.698) 2.547 3.707 ( -1.398 0.000 1.240) 1.869 3.707 ( 1.398 0.000 1.240) 1.869 3.943 ( -6.567 0.000 2.609) 7.066 3.943 ( 6.567 0.000 2.609) 7.066 4.070 ( -4.953 0.000 -6.108) 7.864 4.070 ( 4.953 0.000 -6.108) 7.864 4.374 ( -0.913 0.000 -3.900) 4.006 4.374 ( 0.913 0.000 -3.900) 4.006 4.396 ( -1.242 0.000 -2.217) 2.541 4.396 ( 1.242 0.000 -2.217) 2.541 4.849 ( -0.723 0.000 5.216) 5.266 4.849 ( 0.723 0.000 5.216) 5.266 4.993 ( -6.197 0.000 7.478) 9.712 4.993 ( 6.197 0.000 7.478) 9.712 5.545 ( -0.960 0.000 1.276) 1.597 5.545 ( 0.960 0.000 1.276) 1.597 5.848 ( -3.546 0.000 -8.437) 9.152 5.848 ( 3.546 0.000 -8.437) 9.152 5.856 ( -0.366 0.000 2.513) 2.539 5.856 ( 0.366 0.000 2.513) 2.539 6.273 ( -1.900 0.000 1.581) 2.472 6.273 ( 1.900 0.000 1.581) 2.472 6.492 ( -1.656 0.000 -4.270) 4.580 6.492 ( 1.656 0.000 -4.270) 4.580 6.719 ( -0.255 0.000 -2.167) 2.182 6.719 ( 0.255 0.000 -2.167) 2.182 7.477 ( -0.638 0.000 0.182) 0.663 7.477 ( 0.638 0.000 0.182) 0.663 7.804 ( -2.709 0.000 4.068) 4.888 7.804 ( 2.709 0.000 4.068) 4.888 8.050 ( -0.430 0.000 0.304) 0.526 8.050 ( 0.430 0.000 0.304) 0.526 8.185 ( -1.360 0.000 -3.383) 3.646 8.185 ( 1.360 0.000 -3.383) 3.646 8.362 ( -0.913 0.000 -3.500) 3.617 8.362 ( 0.913 0.000 -3.500) 3.617 9.333 ( -0.542 0.000 1.710) 1.794 9.333 ( 0.542 0.000 1.710) 1.794 10.194 ( -1.667 0.000 -1.710) 2.388 10.194 ( 1.667 0.000 -1.710) 2.388 10.442 ( -0.725 0.000 -0.048) 0.727 10.442 ( 0.725 0.000 -0.048) 0.727 10.911 ( -2.190 0.000 -1.126) 2.462 10.911 ( 2.190 0.000 -1.126) 2.462 11.418 ( -2.600 0.000 1.443) 2.973 11.418 ( 2.600 0.000 1.443) 2.973 11.470 ( -1.252 0.000 -0.812) 1.493 11.470 ( 1.252 0.000 -0.812) 1.493 11.942 ( -1.863 0.000 -1.554) 2.426 11.942 ( 1.863 0.000 -1.554) 2.426 12.824 ( -1.834 0.000 2.537) 3.130 12.824 ( 1.834 0.000 2.537) 3.130 14.330 ( -5.010 0.000 4.008) 6.416 14.330 ( 5.010 0.000 4.008) 6.416 15.186 ( -1.503 0.000 -2.913) 3.278 15.186 ( 1.503 0.000 -2.913) 3.278 18.481 ( -0.326 0.000 1.037) 1.087 18.481 ( 0.326 0.000 1.037) 1.087 18.518 ( -0.314 0.000 -0.964) 1.014 18.518 ( 0.314 0.000 -0.964) 1.014 20.431 ( -3.204 0.000 2.650) 4.159 20.431 ( 3.204 0.000 2.650) 4.159 20.748 ( -4.345 0.000 -3.755) 5.743 20.748 ( 4.345 0.000 -3.755) 5.743 21.967 ( -1.790 0.000 -0.698) 1.922 21.967 ( 1.790 0.000 -0.698) 1.922 22.154 ( -1.404 0.000 -0.397) 1.459 22.154 ( 1.404 0.000 -0.397) 1.459 23.342 ( -0.437 0.000 5.095) 5.113 23.342 ( 0.437 0.000 5.095) 5.113 23.723 ( -2.916 0.000 -4.135) 5.059 23.723 ( 2.916 0.000 -4.135) 5.059 ======================= Grid point 185 (64/75) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.000 0.762 15.452) 15.470 2.111 ( 0.000 3.273 16.534) 16.854 2.320 ( 0.000 6.278 3.931) 7.407 2.421 ( 0.000 10.670 1.401) 10.761 2.424 ( 0.000 12.692 -2.210) 12.883 2.549 ( 0.000 6.814 -12.754) 14.460 2.733 ( 0.000 -1.849 1.460) 2.357 2.811 ( 0.000 0.091 -6.982) 6.983 2.893 ( 0.000 4.431 1.479) 4.671 2.924 ( 0.000 13.156 -1.520) 13.244 2.929 ( 0.000 4.991 -3.344) 6.008 2.992 ( 0.000 9.916 -4.913) 11.066 3.617 ( 0.000 -5.034 2.482) 5.613 3.621 ( 0.000 -5.110 0.908) 5.190 3.716 ( 0.000 -0.858 4.345) 4.428 3.838 ( 0.000 -1.993 -6.868) 7.151 4.143 ( 0.000 -4.602 -0.921) 4.693 4.192 ( 0.000 -2.071 -5.947) 6.298 4.392 ( 0.000 3.739 -0.835) 3.831 4.398 ( 0.000 5.406 0.331) 5.416 4.459 ( 0.000 7.567 -3.613) 8.385 4.479 ( 0.000 5.536 -5.049) 7.493 4.886 ( 0.000 -5.026 3.991) 6.418 4.889 ( 0.000 -4.485 1.593) 4.759 4.988 ( 0.000 0.687 13.453) 13.471 5.245 ( 0.000 -4.004 -2.436) 4.687 5.495 ( 0.000 -1.980 3.415) 3.948 5.572 ( 0.000 0.661 -4.582) 4.629 5.747 ( 0.000 -7.072 5.641) 9.047 5.858 ( 0.000 -3.216 -3.456) 4.720 5.968 ( 0.000 3.105 4.985) 5.872 5.986 ( 0.000 3.629 0.015) 3.630 6.093 ( 0.000 3.928 -6.240) 7.373 6.093 ( 0.000 2.364 -7.711) 8.066 6.475 ( 0.000 1.764 -0.450) 1.820 6.476 ( 0.000 -1.748 -0.770) 1.910 6.763 ( 0.000 4.584 -0.098) 4.585 6.810 ( 0.000 6.583 -4.232) 7.826 7.436 ( 0.000 -7.998 1.595) 8.156 7.468 ( 0.000 -8.100 -1.343) 8.211 7.754 ( 0.000 2.191 8.317) 8.600 7.890 ( 0.000 0.821 -4.031) 4.114 7.991 ( 0.000 -3.847 -0.171) 3.851 7.994 ( 0.000 -4.304 -0.434) 4.326 8.148 ( 0.000 0.326 0.808) 0.871 8.195 ( 0.000 -2.093 -4.000) 4.515 8.268 ( 0.000 -2.057 -1.226) 2.395 8.286 ( 0.000 -4.433 -2.837) 5.263 9.328 ( 0.000 1.591 2.315) 2.809 9.350 ( 0.000 0.932 0.325) 0.987 10.154 ( 0.000 -0.867 0.059) 0.869 10.189 ( 0.000 -4.900 -2.999) 5.745 10.349 ( 0.000 2.409 0.043) 2.409 10.359 ( 0.000 2.893 -1.018) 3.067 10.924 ( 0.000 -1.082 1.693) 2.009 10.965 ( 0.000 -3.698 -1.954) 4.183 11.386 ( 0.000 3.661 5.541) 6.642 11.482 ( 0.000 2.020 -0.271) 2.038 11.510 ( 0.000 -0.768 -1.293) 1.504 11.513 ( 0.000 1.959 -4.768) 5.155 11.970 ( 0.000 7.959 1.628) 8.124 12.023 ( 0.000 3.543 -3.463) 4.954 12.834 ( 0.000 -0.551 7.279) 7.299 12.941 ( 0.000 -0.372 -2.789) 2.813 14.124 ( 0.000 0.043 12.963) 12.963 14.356 ( 0.000 -1.802 -8.990) 9.168 15.147 ( 0.000 -9.372 1.483) 9.489 15.193 ( 0.000 -8.216 -3.221) 8.824 18.573 ( 0.000 7.975 1.382) 8.094 18.588 ( 0.000 11.010 1.794) 11.156 18.599 ( 0.000 8.438 -1.187) 8.521 18.643 ( 0.000 12.601 -3.459) 13.067 20.232 ( 0.000 -3.362 1.278) 3.597 20.256 ( 0.000 -3.067 -0.881) 3.191 20.829 ( 0.000 -1.655 2.807) 3.259 20.916 ( 0.000 -2.566 -5.120) 5.727 21.855 ( 0.000 0.372 1.735) 1.774 21.890 ( 0.000 0.145 -1.574) 1.581 22.356 ( 0.000 -0.094 0.617) 0.624 22.384 ( 0.000 -0.387 -2.070) 2.106 23.339 ( 0.000 -0.685 5.064) 5.110 23.384 ( 0.000 -1.121 -0.328) 1.168 23.439 ( 0.000 -0.968 8.928) 8.981 23.655 ( 0.000 -3.342 -10.729) 11.237 ======================= Grid point 186 (65/75) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.058 3.531 14.138) 14.717 2.170 ( 6.159 0.058 10.591) 12.252 2.281 ( -3.541 4.993 7.372) 9.582 2.416 ( -3.748 6.286 -0.429) 7.332 2.433 ( -0.253 8.584 0.010) 8.588 2.483 ( -0.286 5.830 -7.232) 9.294 2.536 ( -12.510 4.222 -1.743) 13.318 2.620 ( -5.292 10.193 -5.249) 12.628 2.881 ( 0.800 11.249 -4.855) 12.278 2.895 ( 0.383 10.948 -7.052) 13.028 3.175 ( 9.679 1.147 3.582) 10.384 3.229 ( 9.753 0.399 -2.698) 10.127 3.602 ( -0.557 -5.725 3.487) 6.726 3.619 ( 0.481 -6.016 1.129) 6.140 3.784 ( 5.653 -0.983 2.310) 6.186 3.893 ( 4.370 -1.684 -7.025) 8.443 4.100 ( -3.698 -2.448 -0.375) 4.451 4.155 ( -3.542 -1.695 -5.704) 6.925 4.392 ( 1.139 4.638 -0.201) 4.780 4.421 ( 1.607 4.701 -2.200) 5.434 4.470 ( -0.544 6.435 -3.296) 7.251 4.476 ( 0.894 6.967 -3.385) 7.797 4.859 ( -1.778 -2.826 2.589) 4.225 4.878 ( -0.602 -3.847 0.752) 3.965 4.940 ( -3.585 0.155 15.450) 15.862 5.143 ( -8.321 -3.255 1.168) 9.011 5.516 ( 1.895 -1.135 2.934) 3.673 5.583 ( 0.586 1.907 -2.691) 3.350 5.704 ( -2.169 -6.709 1.898) 7.302 5.787 ( -3.942 -4.884 -2.904) 6.916 5.972 ( 1.128 6.720 -0.699) 6.850 6.042 ( -1.822 6.700 -6.871) 9.768 6.127 ( 7.760 -1.178 1.791) 8.050 6.193 ( 4.928 -0.932 -3.558) 6.149 6.473 ( -0.064 0.246 -0.507) 0.567 6.477 ( -0.100 -1.139 -0.947) 1.485 6.774 ( 0.901 5.224 -0.773) 5.357 6.809 ( -0.216 6.722 -3.833) 7.741 7.415 ( -1.452 -7.790 1.150) 8.007 7.439 ( -2.222 -7.826 -1.057) 8.204 7.764 ( 1.088 1.167 7.104) 7.281 7.853 ( -2.469 -0.476 -0.732) 2.619 8.006 ( 1.444 -2.819 0.519) 3.209 8.030 ( 1.647 -1.886 -1.660) 3.004 8.135 ( -0.355 -1.880 -0.137) 1.919 8.180 ( -1.230 -2.804 -4.405) 5.365 8.296 ( 1.771 -2.724 -1.556) 3.602 8.310 ( 1.517 -4.132 -2.943) 5.295 9.332 ( 0.310 1.305 2.037) 2.439 9.348 ( -0.265 0.875 0.619) 1.105 10.173 ( 1.463 -0.078 -0.332) 1.502 10.207 ( 0.826 -2.960 -3.505) 4.661 10.376 ( 2.387 0.880 0.336) 2.566 10.386 ( 2.428 0.620 -0.591) 2.574 10.891 ( -2.343 -1.999 1.870) 3.604 10.933 ( -2.906 -3.922 -2.177) 5.344 11.369 ( -0.545 1.368 2.367) 2.788 11.416 ( -2.986 -1.147 -1.995) 3.770 11.561 ( 5.258 8.230 2.232) 10.018 11.624 ( 4.777 6.839 -3.368) 8.996 11.943 ( -2.126 4.777 1.023) 5.328 11.988 ( -2.959 1.608 -3.196) 4.643 12.812 ( -1.430 -1.076 5.930) 6.194 12.885 ( -4.213 -0.930 -1.052) 4.441 14.197 ( 5.924 0.064 10.694) 12.226 14.368 ( 0.260 -1.290 -5.249) 5.412 15.114 ( -2.091 -8.725 0.738) 9.002 15.160 ( -2.779 -8.230 -3.631) 9.415 18.574 ( 0.092 8.105 1.429) 8.230 18.583 ( -0.320 9.510 1.556) 9.641 18.606 ( 0.549 9.926 -1.278) 10.023 18.636 ( -0.622 12.105 -3.002) 12.487 20.286 ( 5.173 -2.951 2.901) 6.625 20.340 ( 6.206 -3.152 -1.871) 7.207 20.762 ( -5.100 -1.985 2.655) 6.083 20.855 ( -5.572 -2.754 -5.787) 8.492 21.888 ( 3.370 0.534 1.398) 3.687 21.922 ( 3.078 0.302 -1.859) 3.609 22.264 ( -7.424 -0.167 0.528) 7.444 22.287 ( -7.676 -0.404 -1.710) 7.875 23.334 ( -0.171 -0.109 5.567) 5.571 23.343 ( -0.043 -0.213 3.693) 3.699 23.577 ( 7.323 -2.387 1.632) 7.874 23.690 ( 2.012 -3.522 -8.110) 9.068 ======================= Grid point 187 (66/75) ======================= q-point: (-0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -3.581 3.331 9.392) 10.589 2.191 ( 3.581 3.331 9.392) 10.589 2.299 ( -5.482 1.870 -0.303) 5.800 2.299 ( 5.482 1.870 -0.303) 5.800 2.417 ( -1.270 4.120 2.627) 5.049 2.417 ( 1.270 4.120 2.627) 5.049 2.534 ( -3.382 11.653 -3.769) 12.706 2.534 ( 3.382 11.653 -3.769) 12.706 2.898 ( -0.387 12.113 -6.393) 13.702 2.898 ( 0.387 12.113 -6.393) 13.702 3.300 ( -2.154 -0.890 0.280) 2.348 3.300 ( 2.154 -0.890 0.280) 2.348 3.619 ( -1.248 -7.253 2.948) 7.928 3.619 ( 1.248 -7.253 2.948) 7.928 3.922 ( -5.048 -1.790 -0.980) 5.445 3.922 ( 5.048 -1.790 -0.980) 5.445 4.062 ( -3.429 -0.475 -5.004) 6.084 4.062 ( 3.429 -0.475 -5.004) 6.084 4.435 ( -2.023 5.541 -1.582) 6.107 4.435 ( 2.023 5.541 -1.582) 6.107 4.472 ( -1.740 6.516 -3.182) 7.458 4.472 ( 1.740 6.516 -3.182) 7.458 4.843 ( -1.401 -0.577 4.824) 5.056 4.843 ( 1.401 -0.577 4.824) 5.056 4.964 ( -6.410 -2.748 6.933) 9.834 4.964 ( 6.410 -2.748 6.933) 9.834 5.565 ( -2.194 1.370 1.951) 3.240 5.565 ( 2.194 1.370 1.951) 3.240 5.711 ( -2.685 -6.814 -3.577) 8.151 5.711 ( 2.685 -6.814 -3.577) 8.151 6.004 ( -1.723 7.555 -3.635) 8.559 6.004 ( 1.723 7.555 -3.635) 8.559 6.240 ( -1.689 -2.459 -0.355) 3.005 6.240 ( 1.689 -2.459 -0.355) 3.005 6.473 ( -0.165 -0.797 -0.977) 1.271 6.473 ( 0.165 -0.797 -0.977) 1.271 6.796 ( -0.979 6.419 -2.454) 6.941 6.796 ( 0.979 6.419 -2.454) 6.941 7.402 ( -0.653 -7.657 0.019) 7.685 7.402 ( 0.653 -7.657 0.019) 7.685 7.801 ( -2.227 -0.266 3.684) 4.313 7.801 ( 2.227 -0.266 3.684) 4.313 8.036 ( -0.945 -1.189 0.242) 1.538 8.036 ( 0.945 -1.189 0.242) 1.538 8.149 ( -1.410 -3.530 -3.533) 5.189 8.149 ( 1.410 -3.530 -3.533) 5.189 8.323 ( -0.462 -3.787 -2.450) 4.534 8.323 ( 0.462 -3.787 -2.450) 4.534 9.340 ( -0.415 0.913 1.342) 1.675 9.340 ( 0.415 0.913 1.342) 1.675 10.203 ( -1.039 0.088 -2.053) 2.303 10.203 ( 1.039 0.088 -2.053) 2.303 10.421 ( -0.426 -1.563 -0.042) 1.621 10.421 ( 0.426 -1.563 -0.042) 1.621 10.872 ( -1.462 -3.368 -0.244) 3.680 10.872 ( 1.462 -3.368 -0.244) 3.680 11.375 ( -1.035 -0.017 -0.195) 1.053 11.375 ( 1.035 -0.017 -0.195) 1.053 11.661 ( -2.386 14.299 0.341) 14.500 11.661 ( 2.386 14.299 0.341) 14.500 11.925 ( -1.652 -1.801 -1.763) 3.014 11.925 ( 1.652 -1.801 -1.763) 3.014 12.810 ( -1.874 -1.519 2.598) 3.546 12.810 ( 1.874 -1.519 2.598) 3.546 14.325 ( -4.656 -0.349 3.863) 6.060 14.325 ( 4.656 -0.349 3.863) 6.060 15.103 ( -1.582 -8.188 -2.400) 8.678 15.103 ( 1.582 -8.188 -2.400) 8.678 18.577 ( -0.217 8.546 1.520) 8.683 18.577 ( 0.217 8.546 1.520) 8.683 18.620 ( -0.723 11.094 -2.087) 11.312 18.620 ( 0.723 11.094 -2.087) 11.312 20.404 ( -3.094 -2.688 2.404) 4.752 20.404 ( 3.094 -2.688 2.404) 4.752 20.721 ( -4.112 -2.822 -3.513) 6.100 20.721 ( 4.112 -2.822 -3.513) 6.100 21.976 ( -1.753 0.859 -0.670) 2.064 21.976 ( 1.753 0.859 -0.670) 2.064 22.148 ( -1.373 -0.600 -0.374) 1.544 22.148 ( 1.373 -0.600 -0.374) 1.544 23.343 ( -0.369 0.145 4.835) 4.851 23.343 ( 0.369 0.145 4.835) 4.851 23.690 ( -2.645 -3.340 -3.497) 5.511 23.690 ( 2.645 -3.340 -3.497) 5.511 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 0.000 3.964 12.360) 12.980 2.178 ( 0.000 3.693 10.449) 11.083 2.414 ( 0.000 3.911 5.213) 6.517 2.587 ( 0.000 3.732 -8.788) 9.548 2.598 ( 0.000 1.287 -2.045) 2.416 2.634 ( 0.000 -2.140 -6.039) 6.407 2.747 ( 0.000 7.546 6.003) 9.643 2.859 ( 0.000 8.512 -4.963) 9.854 3.049 ( 0.000 10.684 2.355) 10.940 3.108 ( 0.000 12.079 -2.653) 12.367 3.244 ( 0.000 18.472 0.811) 18.490 3.264 ( 0.000 14.152 -1.168) 14.200 3.514 ( 0.000 -4.234 0.218) 4.240 3.522 ( 0.000 -1.821 -0.730) 1.962 3.713 ( 0.000 0.655 3.895) 3.950 3.804 ( 0.000 -1.591 -5.232) 5.469 4.067 ( 0.000 -2.644 1.251) 2.925 4.183 ( 0.000 1.318 -8.105) 8.212 4.440 ( 0.000 0.644 0.815) 1.039 4.494 ( 0.000 2.582 -3.657) 4.476 4.610 ( 0.000 8.272 -3.867) 9.131 4.619 ( 0.000 8.722 -4.325) 9.735 4.780 ( 0.000 -4.442 3.853) 5.880 4.790 ( 0.000 -4.909 1.374) 5.097 4.995 ( 0.000 -0.734 12.317) 12.339 5.142 ( 0.000 -6.681 1.423) 6.830 5.429 ( 0.000 -4.005 4.979) 6.390 5.570 ( 0.000 -0.881 -7.680) 7.730 5.631 ( 0.000 -4.596 2.266) 5.124 5.758 ( 0.000 -6.287 -8.156) 10.298 6.025 ( 0.000 3.216 4.510) 5.539 6.065 ( 0.000 3.843 -0.681) 3.903 6.150 ( 0.000 1.240 -5.940) 6.068 6.151 ( 0.000 2.753 -6.866) 7.397 6.491 ( 0.000 3.287 4.640) 5.686 6.560 ( 0.000 6.755 -0.668) 6.788 6.853 ( 0.000 3.845 1.405) 4.093 6.923 ( 0.000 4.312 -4.482) 6.220 7.243 ( 0.000 -11.029 1.025) 11.076 7.265 ( 0.000 -12.082 -1.079) 12.130 7.791 ( 0.000 0.828 5.677) 5.737 7.881 ( 0.000 -3.743 -2.387) 4.439 7.910 ( 0.000 -3.086 -0.287) 3.099 7.917 ( 0.000 -1.340 -1.251) 1.833 8.150 ( 0.000 -0.910 -0.447) 1.014 8.158 ( 0.000 -1.722 -1.459) 2.257 8.189 ( 0.000 -4.575 0.105) 4.576 8.212 ( 0.000 -3.464 -2.117) 4.059 9.380 ( 0.000 4.109 0.965) 4.220 9.390 ( 0.000 3.583 0.240) 3.591 10.074 ( 0.000 -7.349 -0.479) 7.365 10.097 ( 0.000 -5.650 -2.669) 6.249 10.423 ( 0.000 4.138 -0.132) 4.140 10.426 ( 0.000 5.568 -0.363) 5.580 10.876 ( 0.000 -5.394 1.171) 5.520 10.885 ( 0.000 -3.101 -0.185) 3.107 11.456 ( 0.000 2.659 1.869) 3.250 11.522 ( 0.000 1.730 -3.706) 4.090 11.522 ( 0.000 2.611 0.756) 2.719 11.559 ( 0.000 2.654 -2.757) 3.827 12.113 ( 0.000 5.516 0.711) 5.561 12.138 ( 0.000 8.522 -1.262) 8.615 12.830 ( 0.000 0.443 7.024) 7.038 12.935 ( 0.000 -0.192 -2.730) 2.736 14.129 ( 0.000 0.613 10.462) 10.480 14.310 ( 0.000 -2.908 -6.607) 7.219 14.937 ( 0.000 -11.296 3.144) 11.726 14.998 ( 0.000 -11.299 -2.948) 11.677 18.771 ( 0.000 12.182 1.817) 12.317 18.806 ( 0.000 12.482 -1.338) 12.554 18.855 ( 0.000 15.439 1.547) 15.516 18.932 ( 0.000 15.749 -6.144) 16.905 20.145 ( 0.000 -5.295 1.499) 5.503 20.176 ( 0.000 -5.043 -1.246) 5.195 20.782 ( 0.000 -3.196 1.674) 3.608 20.845 ( 0.000 -4.772 -3.987) 6.218 21.864 ( 0.000 0.571 1.425) 1.535 21.892 ( 0.000 0.064 -1.234) 1.236 22.354 ( 0.000 -0.064 0.298) 0.305 22.374 ( 0.000 -0.541 -1.663) 1.749 23.323 ( 0.000 -0.873 4.644) 4.726 23.356 ( 0.000 -1.623 0.623) 1.738 23.419 ( 0.000 -0.946 6.717) 6.783 23.574 ( 0.000 -4.681 -7.345) 8.709 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 2.119 1.995 8.881) 9.346 2.208 ( 3.638 2.970 7.345) 8.718 2.336 ( -6.202 1.574 4.635) 7.901 2.437 ( -7.531 -0.916 -4.399) 8.770 2.550 ( -3.172 4.138 -0.406) 5.230 2.634 ( -1.468 4.939 -5.415) 7.475 2.726 ( -2.897 10.509 4.206) 11.685 2.837 ( -2.312 8.238 -4.706) 9.765 3.118 ( 4.487 11.004 1.586) 11.989 3.157 ( 5.013 13.656 -3.276) 14.912 3.282 ( 0.661 8.423 -0.922) 8.499 3.284 ( 1.934 8.797 -1.097) 9.073 3.513 ( 0.343 -1.193 4.611) 4.775 3.531 ( 0.569 0.074 0.830) 1.009 3.776 ( 5.381 0.611 1.491) 5.617 3.875 ( 4.933 -0.168 -6.009) 7.776 4.058 ( -1.181 -1.242 0.380) 1.756 4.146 ( -3.420 1.149 -7.011) 7.885 4.455 ( 1.888 0.833 0.607) 2.151 4.499 ( 0.892 1.696 -3.571) 4.053 4.616 ( 0.084 8.663 -2.649) 9.059 4.636 ( 1.584 9.625 -3.975) 10.533 4.792 ( 1.481 -3.741 3.025) 5.034 4.793 ( 0.749 -3.309 1.643) 3.769 4.939 ( -4.773 -0.995 11.670) 12.647 5.061 ( -6.794 -5.376 2.009) 8.894 5.465 ( 2.741 -3.842 3.893) 6.118 5.569 ( -0.815 -5.256 -4.150) 6.746 5.627 ( 0.337 0.538 -0.827) 1.043 5.697 ( -3.426 -4.258 -5.233) 7.566 6.071 ( 0.915 3.255 -1.275) 3.613 6.114 ( 2.334 0.456 -0.097) 2.380 6.143 ( 2.257 2.411 -4.670) 5.720 6.193 ( 2.854 0.929 -5.051) 5.875 6.485 ( -0.208 3.062 4.416) 5.378 6.541 ( -1.650 5.880 0.089) 6.108 6.873 ( 1.731 4.167 0.451) 4.535 6.927 ( 0.133 4.792 -4.012) 6.251 7.219 ( -1.673 -11.695 0.669) 11.833 7.239 ( -2.092 -12.126 -1.147) 12.358 7.785 ( -0.071 0.703 4.711) 4.763 7.838 ( -2.258 -0.909 -0.166) 2.440 7.943 ( 3.155 -2.912 0.559) 4.330 7.983 ( 3.586 -2.650 -2.798) 5.264 8.103 ( -3.037 -1.364 -0.101) 3.331 8.123 ( -2.453 -2.654 -2.159) 4.210 8.213 ( 1.276 -5.062 -0.269) 5.227 8.232 ( 0.782 -4.183 -1.960) 4.685 9.378 ( -0.061 3.899 0.986) 4.022 9.387 ( -0.273 3.692 0.253) 3.711 10.105 ( 2.396 -7.665 -1.147) 8.112 10.120 ( 1.693 -6.261 -2.462) 6.937 10.424 ( 0.134 3.988 -0.036) 3.990 10.427 ( 0.118 4.099 -0.265) 4.109 10.834 ( -2.782 -4.250 1.434) 5.278 10.852 ( -2.889 -4.091 -0.496) 5.033 11.423 ( -0.979 3.706 -0.353) 3.849 11.433 ( -1.854 2.998 -1.126) 3.701 11.685 ( 9.004 2.823 -0.264) 9.440 11.710 ( 9.963 2.350 -2.350) 10.503 12.059 ( -4.811 6.570 1.201) 8.231 12.093 ( -4.346 10.004 -1.740) 11.045 12.785 ( -3.027 -1.585 5.969) 6.877 12.860 ( -5.634 -1.695 -1.092) 5.984 14.206 ( 6.076 1.068 8.695) 10.661 14.341 ( 1.787 -1.331 -3.860) 4.457 14.911 ( -1.729 -11.441 2.175) 11.773 14.964 ( -2.811 -11.442 -2.941) 12.144 18.772 ( 0.164 12.151 1.601) 12.257 18.795 ( -0.792 12.451 -0.129) 12.477 18.867 ( 0.909 15.238 -0.199) 15.266 18.918 ( -1.168 15.516 -5.019) 16.349 20.212 ( 5.894 -4.460 2.486) 7.798 20.261 ( 6.613 -4.838 -1.875) 8.406 20.705 ( -5.986 -3.838 1.892) 7.358 20.778 ( -6.020 -5.198 -4.722) 9.250 21.902 ( 3.726 0.836 1.126) 3.981 21.929 ( 3.506 0.339 -1.464) 3.814 22.261 ( -7.638 -0.172 0.257) 7.644 22.278 ( -7.763 -0.563 -1.390) 7.907 23.334 ( 0.939 0.090 4.695) 4.789 23.341 ( 0.445 0.157 3.176) 3.211 23.518 ( 5.712 -3.478 1.995) 6.979 23.604 ( 1.726 -5.141 -5.411) 7.661 ======================= Grid point 192 (69/75) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -3.023 0.999 3.383) 4.645 2.214 ( 3.023 0.999 3.383) 4.645 2.326 ( -4.463 0.640 -0.569) 4.544 2.326 ( 4.463 0.640 -0.569) 4.544 2.534 ( -3.017 5.967 5.177) 8.456 2.534 ( 3.018 5.967 5.177) 8.456 2.760 ( -3.509 7.536 -4.122) 9.278 2.760 ( 3.509 7.536 -4.122) 9.278 3.200 ( -1.535 17.334 -1.459) 17.463 3.200 ( 1.535 17.334 -1.459) 17.463 3.300 ( -0.715 1.903 -1.289) 2.407 3.300 ( 0.715 1.903 -1.289) 2.407 3.526 ( -0.945 0.277 4.842) 4.942 3.526 ( 0.945 0.277 4.842) 4.942 3.903 ( -4.249 0.010 -2.273) 4.819 3.903 ( 4.249 0.010 -2.273) 4.819 4.060 ( -3.229 0.883 -4.702) 5.771 4.060 ( 3.229 0.883 -4.702) 5.771 4.506 ( -1.548 0.459 -1.647) 2.306 4.506 ( 1.548 0.459 -1.647) 2.306 4.637 ( -1.587 10.806 -2.055) 11.113 4.637 ( 1.587 10.806 -2.055) 11.113 4.827 ( -3.152 -1.233 4.054) 5.282 4.827 ( 3.152 -1.233 4.054) 5.282 4.898 ( -6.729 -4.028 4.688) 9.137 4.898 ( 6.729 -4.028 4.688) 9.137 5.526 ( -2.712 -6.591 0.535) 7.147 5.526 ( 2.712 -6.591 0.535) 7.147 5.649 ( -1.509 1.456 -3.115) 3.755 5.649 ( 1.509 1.456 -3.115) 3.755 6.093 ( -1.435 0.722 -3.380) 3.743 6.093 ( 1.435 0.722 -3.380) 3.743 6.220 ( -1.405 0.867 -2.581) 3.064 6.220 ( 1.405 0.867 -2.581) 3.064 6.500 ( -1.672 3.970 2.523) 4.992 6.500 ( 1.672 3.970 2.523) 4.992 6.914 ( -1.569 5.091 -1.978) 5.683 6.914 ( 1.569 5.091 -1.978) 5.683 7.202 ( -0.633 -12.441 -0.502) 12.467 7.202 ( 0.633 -12.441 -0.502) 12.467 7.799 ( -1.347 0.293 2.562) 2.909 7.799 ( 1.347 0.293 2.562) 2.909 8.018 ( -2.922 -0.629 0.479) 3.027 8.018 ( 2.922 -0.629 0.479) 3.027 8.068 ( -2.272 -4.399 -2.959) 5.768 8.068 ( 2.272 -4.399 -2.959) 5.768 8.233 ( -0.543 -5.300 -1.197) 5.460 8.233 ( 0.543 -5.300 -1.197) 5.460 9.380 ( -0.273 3.743 0.643) 3.808 9.380 ( 0.273 3.743 0.643) 3.808 10.142 ( -0.307 -7.356 -2.053) 7.643 10.142 ( 0.307 -7.356 -2.053) 7.643 10.428 ( -0.092 2.976 -0.069) 2.978 10.428 ( 0.092 2.976 -0.069) 2.978 10.803 ( -0.625 -3.796 0.481) 3.877 10.803 ( 0.625 -3.796 0.481) 3.877 11.417 ( -0.136 4.139 -0.997) 4.260 11.417 ( 0.136 4.139 -0.997) 4.260 11.868 ( -3.509 -3.451 -1.520) 5.150 11.868 ( 3.509 -3.451 -1.520) 5.150 11.965 ( -3.767 15.976 0.095) 16.415 11.965 ( 3.767 15.976 0.095) 16.415 12.764 ( -2.006 -3.505 2.662) 4.837 12.764 ( 2.006 -3.505 2.662) 4.837 14.327 ( -3.759 0.983 3.364) 5.140 14.327 ( 3.759 0.983 3.364) 5.140 14.905 ( -1.726 -11.765 -1.283) 11.960 14.905 ( 1.726 -11.765 -1.283) 11.960 18.779 ( -0.529 12.216 0.983) 12.266 18.779 ( 0.529 12.216 0.983) 12.266 18.890 ( -1.250 15.228 -2.688) 15.514 18.890 ( 1.250 15.228 -2.688) 15.514 20.340 ( -2.878 -3.484 1.756) 4.849 20.340 ( 2.878 -3.484 1.756) 4.849 20.640 ( -3.544 -5.697 -2.914) 7.315 20.640 ( 3.544 -5.697 -2.914) 7.315 21.999 ( -1.647 1.571 -0.591) 2.352 21.999 ( 1.647 1.571 -0.591) 2.352 22.131 ( -1.312 -1.138 -0.332) 1.768 22.131 ( 1.312 -1.138 -0.332) 1.768 23.351 ( -0.190 0.745 4.104) 4.175 23.351 ( 0.190 0.745 4.104) 4.175 23.606 ( -2.003 -5.078 -1.942) 5.794 23.606 ( 2.003 -5.078 -1.942) 5.794 ======================= Grid point 195 (70/75) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 5.475 8.014) 9.706 2.257 ( 0.000 4.731 5.599) 7.330 2.436 ( 0.000 -2.305 4.356) 4.928 2.525 ( 0.000 -7.233 -2.893) 7.790 2.591 ( 0.000 1.199 -0.865) 1.479 2.618 ( 0.000 0.511 -5.073) 5.098 2.908 ( 0.000 6.586 6.209) 9.051 3.033 ( 0.000 5.834 -4.689) 7.485 3.201 ( 0.000 -1.431 0.197) 1.445 3.204 ( 0.000 4.576 -0.414) 4.595 3.457 ( 0.000 9.997 -0.338) 10.003 3.510 ( 0.000 3.479 -2.917) 4.540 3.544 ( 0.000 11.240 4.305) 12.036 3.639 ( 0.000 6.300 -2.507) 6.780 3.733 ( 0.000 1.291 1.585) 2.044 3.778 ( 0.000 -0.723 -4.074) 4.138 4.099 ( 0.000 7.411 5.366) 9.150 4.239 ( 0.000 3.929 -4.783) 6.190 4.414 ( 0.000 -2.909 2.031) 3.548 4.471 ( 0.000 -4.589 -2.749) 5.350 4.636 ( 0.000 -2.949 -0.913) 3.087 4.659 ( 0.000 -3.741 -2.445) 4.469 4.855 ( 0.000 10.203 -1.974) 10.393 4.865 ( 0.000 8.655 -0.320) 8.661 4.948 ( 0.000 -2.442 4.194) 4.853 5.003 ( 0.000 -7.301 1.433) 7.440 5.397 ( 0.000 1.337 6.752) 6.883 5.538 ( 0.000 -2.518 -5.533) 6.079 5.575 ( 0.000 -1.310 -3.307) 3.557 5.648 ( 0.000 -4.882 -8.681) 9.960 6.086 ( 0.000 2.794 3.892) 4.791 6.117 ( 0.000 1.331 -0.155) 1.340 6.156 ( 0.000 0.416 -3.091) 3.119 6.183 ( 0.000 1.011 -5.550) 5.641 6.539 ( 0.000 -0.229 4.437) 4.443 6.640 ( 0.000 -2.066 -4.527) 4.976 6.899 ( 0.000 2.652 2.808) 3.863 6.948 ( 0.000 -0.724 -1.754) 1.897 7.081 ( 0.000 -5.517 -0.121) 5.518 7.092 ( 0.000 -3.831 -1.029) 3.967 7.771 ( 0.000 -1.470 2.060) 2.531 7.804 ( 0.000 -3.104 -1.163) 3.315 7.916 ( 0.000 2.834 0.069) 2.835 7.916 ( 0.000 0.806 0.046) 0.807 8.063 ( 0.000 -5.581 1.196) 5.707 8.097 ( 0.000 -4.825 -1.867) 5.173 8.172 ( 0.000 0.422 -0.224) 0.478 8.176 ( 0.000 -0.184 -0.631) 0.657 9.491 ( 0.000 7.518 0.147) 7.520 9.497 ( 0.000 7.602 -0.195) 7.604 9.910 ( 0.000 -9.539 0.447) 9.549 9.942 ( 0.000 -10.102 -2.455) 10.396 10.520 ( 0.000 5.908 1.298) 6.049 10.551 ( 0.000 7.205 -1.707) 7.405 10.765 ( 0.000 -6.221 2.582) 6.735 10.805 ( 0.000 -5.294 -1.532) 5.511 11.492 ( 0.000 1.718 0.411) 1.766 11.539 ( 0.000 -0.004 -3.465) 3.465 11.585 ( 0.000 2.951 -1.013) 3.120 11.603 ( 0.000 1.746 -2.909) 3.393 12.214 ( 0.000 4.665 3.458) 5.807 12.259 ( 0.000 3.659 -0.362) 3.676 12.859 ( 0.000 2.515 4.557) 5.205 12.931 ( 0.000 -0.420 -1.872) 1.918 14.151 ( 0.000 1.717 6.600) 6.819 14.251 ( 0.000 -3.154 -2.844) 4.247 14.757 ( 0.000 -6.762 2.809) 7.322 14.800 ( 0.000 -8.534 -1.508) 8.667 19.004 ( 0.000 11.283 1.115) 11.338 19.035 ( 0.000 10.433 -1.476) 10.537 19.117 ( 0.000 10.602 0.613) 10.619 19.175 ( 0.000 8.298 -5.413) 9.908 20.053 ( 0.000 -3.673 0.976) 3.800 20.080 ( 0.000 -4.459 -1.462) 4.692 20.716 ( 0.000 -3.165 0.216) 3.172 20.747 ( 0.000 -4.874 -2.482) 5.470 21.875 ( 0.000 0.568 0.852) 1.024 21.891 ( 0.000 -0.196 -0.650) 0.679 22.354 ( 0.000 0.080 -0.133) 0.155 22.365 ( 0.000 -0.453 -1.141) 1.227 23.310 ( 0.000 -0.410 3.921) 3.942 23.327 ( 0.000 -1.312 1.806) 2.233 23.411 ( 0.000 0.237 3.747) 3.755 23.490 ( 0.000 -3.899 -3.385) 5.163 ======================= Grid point 196 (71/75) ======================= q-point: ( 0.25 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.254 3.663 5.655) 6.742 2.276 ( 1.568 4.137 2.580) 5.122 2.347 ( -5.434 -0.648 2.070) 5.851 2.415 ( -5.658 -1.705 -3.140) 6.692 2.591 ( -0.243 0.951 1.802) 2.052 2.660 ( 0.765 -1.386 -3.693) 4.018 2.835 ( -7.189 1.331 3.487) 8.100 2.887 ( -9.363 -1.449 -0.595) 9.494 3.263 ( 5.930 5.129 -0.052) 7.840 3.280 ( 5.641 3.234 -1.740) 6.731 3.462 ( 0.130 7.772 -0.326) 7.780 3.487 ( -1.563 7.448 -2.514) 8.015 3.597 ( 3.021 8.708 5.167) 10.567 3.674 ( 2.213 10.221 0.431) 10.467 3.808 ( 5.304 2.103 1.307) 5.854 3.869 ( 5.636 -1.311 -1.613) 6.007 4.108 ( 0.450 7.845 1.669) 8.034 4.209 ( -2.943 5.199 -4.973) 7.774 4.422 ( 1.258 -3.853 1.532) 4.333 4.463 ( -0.170 -5.099 -2.234) 5.570 4.659 ( 2.400 -2.677 0.404) 3.618 4.687 ( 3.229 -3.515 -2.611) 5.440 4.874 ( -0.121 7.150 0.821) 7.198 4.887 ( 0.698 5.316 2.973) 6.131 4.901 ( -1.812 6.839 -2.164) 7.399 4.945 ( -4.945 -6.168 0.913) 7.958 5.392 ( -1.785 -3.647 2.438) 4.736 5.458 ( -5.125 -6.127 -4.940) 9.391 5.638 ( 3.312 0.341 -2.896) 4.412 5.661 ( 4.360 0.970 -3.705) 5.803 6.088 ( -2.995 -1.862 -0.987) 3.662 6.094 ( -3.187 -1.973 -1.677) 4.106 6.196 ( 5.275 4.122 -0.369) 6.705 6.232 ( 4.181 3.283 -3.509) 6.370 6.533 ( -0.190 -0.364 4.352) 4.371 6.617 ( -2.163 -1.452 -3.002) 3.975 6.910 ( 1.411 0.950 2.024) 2.644 6.957 ( 1.000 -1.679 -2.028) 2.816 7.046 ( -2.992 -4.541 -0.027) 5.438 7.059 ( -2.751 -4.554 -1.479) 5.522 7.793 ( 1.670 0.616 2.156) 2.796 7.822 ( 1.124 -0.751 -0.639) 1.496 7.926 ( 1.474 1.108 0.615) 1.944 7.943 ( 2.077 -1.135 -0.934) 2.545 8.055 ( -0.890 -3.688 0.743) 3.866 8.082 ( -1.818 -2.887 -1.631) 3.782 8.142 ( -1.518 -1.573 0.589) 2.264 8.163 ( -1.392 -2.349 -1.434) 3.084 9.491 ( 0.092 8.026 0.326) 8.033 9.499 ( 0.021 8.089 -0.389) 8.098 9.923 ( 1.107 -10.934 -0.128) 10.991 9.946 ( 0.274 -11.249 -2.159) 11.457 10.515 ( -0.314 5.570 0.835) 5.641 10.535 ( -1.158 6.464 -1.149) 6.667 10.739 ( -1.748 -5.513 1.914) 6.092 10.768 ( -2.772 -5.064 -1.042) 5.867 11.496 ( 1.101 4.381 -0.505) 4.546 11.520 ( 0.056 5.021 -2.593) 5.652 11.679 ( 6.187 -2.243 -0.632) 6.611 11.710 ( 6.401 -2.170 -3.605) 7.660 12.213 ( 0.668 8.152 4.053) 9.128 12.270 ( 0.891 7.056 -1.199) 7.212 12.759 ( -7.514 -0.740 4.642) 8.864 12.820 ( -8.654 -2.534 -0.876) 9.060 14.243 ( 7.154 2.747 5.674) 9.536 14.323 ( 5.269 -0.640 -1.902) 5.638 14.716 ( -3.251 -8.012 2.659) 9.047 14.758 ( -3.602 -9.286 -1.489) 10.071 19.005 ( 0.137 11.308 0.906) 11.345 19.027 ( -0.685 10.902 -0.814) 10.954 19.118 ( 0.174 9.511 -0.435) 9.523 19.157 ( -1.377 8.094 -4.433) 9.331 20.139 ( 7.441 -2.467 1.355) 7.955 20.175 ( 7.888 -3.664 -1.865) 8.895 20.627 ( -7.463 -3.809 0.765) 8.413 20.669 ( -7.035 -5.692 -3.113) 9.570 21.918 ( 4.150 0.777 0.618) 4.267 21.933 ( 4.040 0.044 -0.834) 4.125 22.259 ( -7.877 -0.009 -0.123) 7.878 22.267 ( -7.903 -0.460 -0.979) 7.976 23.340 ( 2.352 0.652 3.597) 4.347 23.351 ( 1.858 0.774 2.266) 3.031 23.457 ( 3.152 -2.529 2.314) 4.656 23.509 ( 1.063 -4.521 -2.289) 5.178 ======================= Grid point 197 (72/75) ======================= q-point: (-0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -2.297 2.990 0.276) 3.780 2.253 ( 2.297 2.990 0.276) 3.780 2.333 ( -2.442 -0.037 -1.024) 2.649 2.333 ( 2.442 -0.037 -1.024) 2.649 2.610 ( -3.410 2.359 4.432) 6.069 2.610 ( 3.410 2.359 4.432) 6.069 2.759 ( -2.074 -5.234 -1.340) 5.787 2.759 ( 2.074 -5.234 -1.340) 5.787 3.356 ( -0.382 5.321 -1.020) 5.431 3.356 ( 0.382 5.321 -1.020) 5.431 3.458 ( -0.524 5.810 -1.726) 6.083 3.458 ( 0.524 5.810 -1.726) 6.083 3.667 ( -2.960 11.816 6.060) 13.605 3.667 ( 2.960 11.816 6.060) 13.605 3.909 ( -2.606 -0.099 0.199) 2.615 3.909 ( 2.606 -0.099 0.199) 2.615 4.135 ( -2.825 7.607 -3.992) 9.044 4.135 ( 2.825 7.607 -3.992) 9.044 4.456 ( -1.086 -5.260 -0.599) 5.404 4.456 ( 1.086 -5.260 -0.599) 5.404 4.756 ( -6.127 -1.610 3.459) 7.217 4.756 ( 6.127 -1.610 3.459) 7.217 4.807 ( -6.825 -4.095 -1.694) 8.138 4.807 ( 6.825 -4.095 -1.694) 8.138 4.913 ( -0.360 12.449 -0.990) 12.494 4.913 ( 0.360 12.449 -0.990) 12.494 5.371 ( -1.576 -9.326 -2.788) 9.860 5.371 ( 1.576 -9.326 -2.788) 9.860 5.722 ( -1.338 6.020 -1.242) 6.291 5.722 ( 1.338 6.020 -1.242) 6.291 6.032 ( -0.356 -6.543 -2.111) 6.885 6.032 ( 0.356 -6.543 -2.111) 6.885 6.281 ( -1.093 5.704 -1.606) 6.025 6.281 ( 1.093 5.704 -1.606) 6.025 6.557 ( -2.640 -1.225 1.367) 3.215 6.557 ( 2.640 -1.225 1.367) 3.215 6.966 ( -3.418 -0.611 0.047) 3.473 6.966 ( 3.418 -0.611 0.047) 3.473 6.998 ( -2.352 -5.414 -1.616) 6.120 6.998 ( 2.352 -5.414 -1.616) 6.120 7.825 ( -0.920 2.660 1.251) 3.081 7.825 ( 0.920 2.660 1.251) 3.081 7.975 ( -1.266 -3.975 -0.579) 4.212 7.975 ( 1.266 -3.975 -0.579) 4.212 8.033 ( -0.605 0.823 -0.197) 1.041 8.033 ( 0.605 0.823 -0.197) 1.041 8.135 ( -0.767 -4.647 -0.752) 4.770 8.135 ( 0.767 -4.647 -0.752) 4.770 9.496 ( -0.286 8.542 -0.030) 8.547 9.496 ( 0.286 8.542 -0.030) 8.547 9.945 ( -0.578 -12.416 -1.293) 12.497 9.945 ( 0.578 -12.416 -1.293) 12.497 10.515 ( -0.493 5.514 -0.131) 5.537 10.515 ( 0.493 5.514 -0.131) 5.537 10.723 ( -0.762 -4.698 0.382) 4.775 10.723 ( 0.762 -4.698 0.382) 4.775 11.521 ( -0.581 6.484 -1.610) 6.706 11.521 ( 0.581 6.484 -1.610) 6.706 11.776 ( -1.329 -5.826 -2.066) 6.323 11.776 ( 1.329 -5.826 -2.066) 6.323 12.263 ( -2.626 14.510 1.050) 14.783 12.263 ( 2.626 14.510 1.050) 14.783 12.669 ( -2.217 -6.627 2.456) 7.407 12.669 ( 2.217 -6.627 2.456) 7.407 14.375 ( -2.744 4.250 2.465) 5.628 14.375 ( 2.744 4.250 2.465) 5.628 14.682 ( -1.793 -11.201 -0.013) 11.343 14.682 ( 1.793 -11.201 -0.013) 11.343 19.012 ( -0.561 11.288 0.248) 11.305 19.012 ( 0.561 11.288 0.248) 11.305 19.130 ( -0.989 8.272 -2.469) 8.689 19.130 ( 0.989 8.272 -2.469) 8.689 20.301 ( -2.735 0.192 0.650) 2.817 20.301 ( 2.735 0.192 0.650) 2.817 20.509 ( -2.970 -7.782 -2.106) 8.591 20.509 ( 2.970 -7.782 -2.106) 8.591 22.033 ( -1.496 1.958 -0.483) 2.511 22.033 ( 1.496 1.958 -0.483) 2.511 22.105 ( -1.292 -1.606 -0.324) 2.087 22.105 ( 1.292 -1.606 -0.324) 2.087 23.376 ( -0.257 1.950 2.992) 3.581 23.376 ( 0.257 1.950 2.992) 3.581 23.509 ( -1.297 -4.891 -0.122) 5.062 23.509 ( 1.297 -4.891 -0.122) 5.062 ======================= Grid point 200 (73/75) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 -2.083 3.700) 4.246 2.320 ( 0.000 2.083 3.700) 4.246 2.402 ( 0.000 -3.564 1.567) 3.894 2.402 ( 0.000 3.564 1.567) 3.894 2.619 ( 0.000 -0.733 -0.500) 0.887 2.619 ( 0.000 0.733 -0.500) 0.887 3.005 ( 0.000 -4.744 2.132) 5.202 3.005 ( 0.000 4.744 2.132) 5.202 3.237 ( 0.000 -1.671 -2.569) 3.064 3.237 ( 0.000 1.671 -2.569) 3.064 3.550 ( 0.000 -0.005 -1.736) 1.736 3.550 ( 0.000 0.005 -1.736) 1.736 3.672 ( 0.000 -2.398 1.524) 2.841 3.672 ( 0.000 2.398 1.524) 2.841 3.765 ( 0.000 -1.690 -1.551) 2.294 3.765 ( 0.000 1.690 -1.551) 2.294 4.269 ( 0.000 -5.034 3.351) 6.048 4.269 ( 0.000 5.034 3.351) 6.048 4.370 ( 0.000 -1.405 0.589) 1.523 4.370 ( 0.000 1.405 0.589) 1.523 4.611 ( 0.000 -0.724 -2.434) 2.539 4.611 ( 0.000 0.724 -2.434) 2.539 4.900 ( 0.000 -2.248 2.297) 3.214 4.900 ( 0.000 2.248 2.297) 3.214 4.986 ( 0.000 -1.293 -4.065) 4.266 4.986 ( 0.000 1.293 -4.065) 4.266 5.467 ( 0.000 -4.833 1.618) 5.097 5.467 ( 0.000 4.833 1.618) 5.097 5.581 ( 0.000 -1.967 -7.314) 7.574 5.581 ( 0.000 1.967 -7.314) 7.574 6.118 ( 0.000 -0.788 1.316) 1.534 6.118 ( 0.000 0.788 1.316) 1.534 6.184 ( 0.000 -1.550 -2.144) 2.646 6.184 ( 0.000 1.550 -2.144) 2.646 6.537 ( 0.000 -3.572 -1.868) 4.031 6.537 ( 0.000 3.572 -1.868) 4.031 6.954 ( 0.000 -0.382 1.767) 1.808 6.954 ( 0.000 0.382 1.767) 1.808 7.042 ( 0.000 -1.326 -1.320) 1.871 7.042 ( 0.000 1.326 -1.320) 1.871 7.766 ( 0.000 -0.925 0.311) 0.976 7.766 ( 0.000 0.925 0.311) 0.976 7.954 ( 0.000 -2.327 0.797) 2.460 7.954 ( 0.000 2.327 0.797) 2.460 8.007 ( 0.000 -3.281 -0.682) 3.351 8.007 ( 0.000 3.281 -0.682) 3.351 8.177 ( 0.000 -0.019 -0.272) 0.273 8.177 ( 0.000 0.019 -0.272) 0.273 9.619 ( 0.000 -0.837 -0.513) 0.982 9.619 ( 0.000 0.837 -0.513) 0.982 9.777 ( 0.000 -1.721 -0.421) 1.772 9.777 ( 0.000 1.721 -0.421) 1.772 10.641 ( 0.000 -6.606 2.375) 7.020 10.641 ( 0.000 6.606 2.375) 7.020 10.687 ( 0.000 -6.872 -2.146) 7.199 10.687 ( 0.000 6.872 -2.146) 7.199 11.524 ( 0.000 -1.445 -1.402) 2.013 11.524 ( 0.000 1.445 -1.402) 2.013 11.618 ( 0.000 -0.394 -2.666) 2.694 11.618 ( 0.000 0.394 -2.666) 2.694 12.276 ( 0.000 -1.516 2.677) 3.076 12.276 ( 0.000 1.516 2.677) 3.076 12.908 ( 0.000 -2.097 0.648) 2.194 12.908 ( 0.000 2.097 0.648) 2.194 14.194 ( 0.000 -2.737 1.866) 3.313 14.194 ( 0.000 2.737 1.866) 3.313 14.702 ( 0.000 -1.248 0.799) 1.482 14.702 ( 0.000 1.248 0.799) 1.482 19.143 ( 0.000 -1.090 -0.988) 1.471 19.143 ( 0.000 1.090 -0.988) 1.471 19.228 ( 0.000 -1.690 -1.400) 2.194 19.228 ( 0.000 1.690 -1.400) 2.194 20.026 ( 0.000 -0.895 -0.722) 1.150 20.026 ( 0.000 0.895 -0.722) 1.150 20.688 ( 0.000 -0.765 -1.102) 1.341 20.688 ( 0.000 0.765 -1.102) 1.341 21.885 ( 0.000 -0.433 0.100) 0.445 21.885 ( 0.000 0.433 0.100) 0.445 22.358 ( 0.000 -0.267 -0.618) 0.673 22.358 ( 0.000 0.267 -0.618) 0.673 23.310 ( 0.000 -0.470 2.949) 2.986 23.310 ( 0.000 0.470 2.949) 2.986 23.432 ( 0.000 -2.088 0.364) 2.119 23.432 ( 0.000 2.088 0.364) 2.119 ======================= Grid point 202 (74/75) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -1.377 -3.551 3.124) 4.926 2.302 ( -1.377 3.551 3.124) 4.926 2.360 ( -2.128 -3.858 -1.954) 4.820 2.360 ( -2.128 3.858 -1.954) 4.820 2.620 ( 0.168 -2.190 1.238) 2.521 2.620 ( 0.168 2.190 1.238) 2.521 2.846 ( -11.260 -1.523 1.281) 11.434 2.846 ( -11.260 1.523 1.281) 11.434 3.326 ( 6.850 -0.588 -0.805) 6.922 3.326 ( 6.850 0.588 -0.805) 6.922 3.526 ( -1.853 -1.356 -2.251) 3.215 3.526 ( -1.853 1.356 -2.251) 3.215 3.774 ( 5.205 -6.836 3.290) 9.200 3.774 ( 5.205 6.836 3.290) 9.200 3.820 ( 4.320 -3.649 0.281) 5.661 3.820 ( 4.320 3.649 0.281) 5.661 4.292 ( 1.554 -4.889 1.555) 5.361 4.292 ( 1.554 4.889 1.555) 5.361 4.341 ( -1.999 -1.164 -0.289) 2.331 4.341 ( -1.999 1.164 -0.289) 2.331 4.636 ( 2.865 -0.927 -1.556) 3.389 4.636 ( 2.865 0.927 -1.556) 3.389 4.859 ( -3.857 -1.811 1.435) 4.496 4.859 ( -3.857 1.811 1.435) 4.496 5.030 ( 4.162 -1.161 -3.716) 5.699 5.030 ( 4.162 1.161 -3.716) 5.699 5.360 ( -8.734 -2.278 -2.894) 9.479 5.360 ( -8.734 2.278 -2.894) 9.479 5.666 ( 7.794 -1.380 -2.068) 8.181 5.666 ( 7.794 1.380 -2.068) 8.181 6.061 ( -6.306 -0.525 -1.040) 6.413 6.061 ( -6.306 0.525 -1.040) 6.413 6.271 ( 7.498 -1.706 -0.378) 7.699 6.271 ( 7.498 1.706 -0.378) 7.699 6.518 ( -2.124 -3.380 -1.360) 4.217 6.518 ( -2.124 3.380 -1.360) 4.217 6.946 ( -0.281 -0.707 1.182) 1.405 6.946 ( -0.281 0.707 1.182) 1.405 7.013 ( -2.390 -1.011 -1.162) 2.843 7.013 ( -2.390 1.011 -1.162) 2.843 7.809 ( 3.599 -0.796 0.273) 3.697 7.809 ( 3.599 0.796 0.273) 3.697 7.945 ( -1.119 -0.768 0.428) 1.423 7.945 ( -1.119 0.768 0.428) 1.423 8.019 ( 1.275 -1.899 -0.282) 2.304 8.019 ( 1.275 1.899 -0.282) 2.304 8.139 ( -3.168 -0.596 -0.311) 3.239 8.139 ( -3.168 0.596 -0.311) 3.239 9.643 ( 2.106 -1.255 -0.584) 2.520 9.643 ( 2.106 1.255 -0.584) 2.520 9.755 ( -1.970 -1.727 -0.523) 2.671 9.755 ( -1.970 1.727 -0.523) 2.671 10.628 ( -0.874 -6.024 1.640) 6.304 10.628 ( -0.874 6.024 1.640) 6.304 10.659 ( -2.100 -6.250 -1.436) 6.748 10.659 ( -2.100 6.250 -1.436) 6.748 11.572 ( 3.888 -2.018 -1.636) 4.677 11.572 ( 3.888 2.018 -1.636) 4.677 11.654 ( 2.085 -2.140 -2.466) 3.873 11.654 ( 2.085 2.140 -2.466) 3.873 12.321 ( 4.823 -2.079 2.564) 5.844 12.321 ( 4.823 2.079 2.564) 5.844 12.772 ( -11.225 -2.047 1.027) 11.456 12.772 ( -11.225 2.047 1.027) 11.456 14.298 ( 8.378 -2.437 1.651) 8.880 14.298 ( 8.378 2.437 1.651) 8.880 14.647 ( -5.053 -1.450 0.945) 5.342 14.647 ( -5.053 1.450 0.945) 5.342 19.149 ( 0.539 -1.129 -0.991) 1.596 19.149 ( 0.539 1.129 -0.991) 1.596 19.205 ( -1.759 -1.505 -1.249) 2.631 19.205 ( -1.759 1.505 -1.249) 2.631 20.129 ( 8.923 -1.150 -0.815) 9.033 20.129 ( 8.923 1.150 -0.815) 9.033 20.594 ( -8.250 -1.222 -1.015) 8.401 20.594 ( -8.250 1.222 -1.015) 8.401 21.930 ( 4.320 -0.414 -0.083) 4.341 21.930 ( 4.320 0.414 -0.083) 4.341 22.261 ( -7.981 -0.231 -0.547) 8.003 22.261 ( -7.981 0.231 -0.547) 8.003 23.356 ( 3.596 -0.625 2.427) 4.383 23.356 ( 3.596 0.625 2.427) 4.383 23.445 ( 0.519 -1.705 0.782) 1.946 23.445 ( 0.519 1.705 0.782) 1.946 ======================= Grid point 204 (75/75) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -1.728 -2.338 -1.370) 3.214 2.311 ( 0.180 -2.174 -1.370) 2.576 2.311 ( -0.180 2.174 -1.370) 2.576 2.311 ( 1.728 2.338 -1.370) 3.214 2.659 ( -3.570 -3.497 2.434) 5.559 2.659 ( -1.053 -3.053 2.434) 4.044 2.659 ( 1.053 3.053 2.434) 4.044 2.659 ( 3.570 3.497 2.434) 5.559 3.458 ( -2.811 -3.721 -1.686) 4.959 3.458 ( -1.757 -3.556 -1.686) 4.310 3.458 ( 1.757 3.556 -1.686) 4.310 3.458 ( 2.811 3.721 -1.686) 4.959 3.855 ( -1.763 -6.539 3.706) 7.720 3.855 ( 1.747 -6.538 3.706) 7.716 3.855 ( -1.747 6.538 3.706) 7.716 3.855 ( 1.763 6.539 3.706) 7.720 4.314 ( -0.478 -9.437 -0.885) 9.490 4.314 ( 0.457 -9.436 -0.885) 9.489 4.314 ( -0.457 9.436 -0.885) 9.489 4.314 ( 0.478 9.437 -0.885) 9.490 4.743 ( -6.248 -1.503 0.041) 6.426 4.743 ( -6.097 1.340 0.041) 6.243 4.743 ( 6.097 -1.340 0.041) 6.243 4.743 ( 6.248 1.503 0.041) 6.426 5.165 ( -3.363 -11.863 -3.564) 12.835 5.165 ( -1.728 -11.775 -3.564) 12.423 5.165 ( 1.728 11.775 -3.564) 12.423 5.165 ( 3.363 11.863 -3.564) 12.835 5.873 ( -5.811 -8.171 -1.094) 10.086 5.873 ( -4.136 -7.912 -1.094) 8.995 5.873 ( 4.136 7.912 -1.094) 8.995 5.873 ( 5.811 8.171 -1.094) 10.086 6.430 ( -3.278 -8.881 -0.621) 9.487 6.430 ( -0.403 -8.731 -0.621) 8.763 6.430 ( 0.403 8.731 -0.621) 8.763 6.430 ( 3.278 8.881 -0.621) 9.487 6.961 ( -1.282 -1.552 -0.246) 2.029 6.961 ( -0.378 -1.426 -0.246) 1.496 6.961 ( 0.378 1.426 -0.246) 1.496 6.961 ( 1.282 1.552 -0.246) 2.029 7.895 ( -1.808 -3.974 0.296) 4.376 7.895 ( -0.961 -3.899 0.296) 4.027 7.895 ( 0.961 3.899 0.296) 4.027 7.895 ( 1.808 3.974 0.296) 4.376 8.066 ( -2.171 -2.361 -0.260) 3.218 8.066 ( -0.748 -2.129 -0.260) 2.272 8.066 ( 0.748 2.129 -0.260) 2.272 8.066 ( 2.171 2.361 -0.260) 3.218 9.700 ( -0.704 -12.384 -0.640) 12.420 9.700 ( 0.051 -12.379 -0.640) 12.395 9.700 ( -0.051 12.379 -0.640) 12.395 9.700 ( 0.704 12.384 -0.640) 12.420 10.624 ( -0.773 -5.618 0.086) 5.672 10.624 ( 0.769 -5.618 0.086) 5.671 10.624 ( -0.769 5.618 0.086) 5.671 10.624 ( 0.773 5.618 0.086) 5.672 11.652 ( -1.275 -6.857 -2.005) 7.257 11.652 ( 0.455 -6.832 -2.005) 7.134 11.652 ( -0.455 6.832 -2.005) 7.134 11.652 ( 1.275 6.857 -2.005) 7.257 12.505 ( -7.236 -9.641 1.851) 12.196 12.505 ( -3.921 -9.149 1.851) 10.125 12.505 ( 3.921 9.149 1.851) 10.125 12.505 ( 7.236 9.641 1.851) 12.196 14.494 ( -5.425 -7.459 1.281) 9.312 14.494 ( -2.581 -7.067 1.281) 7.632 14.494 ( 2.581 7.067 1.281) 7.632 14.494 ( 5.425 7.459 1.281) 9.312 19.169 ( -0.631 -3.955 -1.056) 4.142 19.169 ( 0.204 -3.944 -1.056) 4.088 19.169 ( -0.204 3.944 -1.056) 4.088 19.169 ( 0.631 3.955 -1.056) 4.142 20.366 ( -9.162 -5.062 -0.911) 10.507 20.366 ( -7.056 -4.134 -0.911) 8.228 20.366 ( 7.056 4.134 -0.911) 8.228 20.366 ( 9.162 5.062 -0.911) 10.507 22.071 ( -7.816 -1.026 -0.381) 7.892 22.071 ( -7.624 -0.557 -0.381) 7.654 22.071 ( 7.624 0.557 -0.381) 7.654 22.071 ( 7.816 1.026 -0.381) 7.892 23.428 ( -1.302 -3.396 1.566) 3.960 23.428 ( -0.095 -3.333 1.566) 3.684 23.428 ( 0.095 3.333 1.566) 3.684 23.428 ( 1.302 3.396 1.566) 3.960 =================== 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 3/24192 10.0 515.288 1282.256 829.171 0.000 0.000 0.000 3/24192 20.0 252.027 272.311 242.219 0.000 0.000 0.000 3/24192 30.0 94.089 108.682 93.593 0.000 0.000 -0.000 3/24192 40.0 48.669 58.371 48.617 0.000 0.000 -0.000 3/24192 50.0 30.469 37.099 30.040 0.000 0.000 -0.000 3/24192 60.0 21.294 26.148 20.739 0.000 0.000 0.000 3/24192 70.0 16.000 19.780 15.457 0.000 0.000 0.000 3/24192 80.0 12.660 15.745 12.171 0.000 0.000 0.000 3/24192 90.0 10.409 13.015 9.979 0.000 0.000 0.000 3/24192 100.0 8.811 11.072 8.433 0.000 0.000 0.000 3/24192 110.0 7.630 9.632 7.296 0.000 0.000 0.000 3/24192 120.0 6.727 8.529 6.429 0.000 0.000 0.000 3/24192 130.0 6.018 7.661 5.749 0.000 0.000 0.000 3/24192 140.0 5.448 6.962 5.202 0.000 0.000 0.000 3/24192 150.0 4.980 6.388 4.754 0.000 0.000 0.000 3/24192 160.0 4.590 5.909 4.381 0.000 0.000 0.000 3/24192 170.0 4.260 5.504 4.065 0.000 0.000 0.000 3/24192 180.0 3.978 5.156 3.794 0.000 0.000 0.000 3/24192 190.0 3.733 4.854 3.559 0.000 0.000 0.000 3/24192 200.0 3.520 4.590 3.354 0.000 0.000 0.000 3/24192 210.0 3.331 4.357 3.172 0.000 0.000 0.000 3/24192 220.0 3.163 4.149 3.011 0.000 0.000 0.000 3/24192 230.0 3.013 3.962 2.866 0.000 0.000 0.000 3/24192 240.0 2.878 3.793 2.736 0.000 0.000 0.000 3/24192 250.0 2.756 3.640 2.618 0.000 0.000 0.000 3/24192 260.0 2.644 3.500 2.510 0.000 0.000 0.000 3/24192 270.0 2.542 3.371 2.412 0.000 0.000 0.000 3/24192 280.0 2.448 3.253 2.321 0.000 0.000 0.000 3/24192 290.0 2.362 3.143 2.237 0.000 0.000 0.000 3/24192 300.0 2.282 3.041 2.160 0.000 0.000 0.000 3/24192 310.0 2.207 2.946 2.088 0.000 0.000 0.000 3/24192 320.0 2.138 2.857 2.021 0.000 0.000 0.000 3/24192 330.0 2.073 2.774 1.958 0.000 0.000 0.000 3/24192 340.0 2.012 2.696 1.900 0.000 0.000 0.000 3/24192 350.0 1.955 2.622 1.844 0.000 0.000 0.000 3/24192 360.0 1.901 2.553 1.792 0.000 0.000 0.000 3/24192 370.0 1.850 2.487 1.744 0.000 0.000 0.000 3/24192 380.0 1.802 2.424 1.697 0.000 0.000 0.000 3/24192 390.0 1.757 2.365 1.653 0.000 0.000 0.000 3/24192 400.0 1.713 2.309 1.612 0.000 0.000 0.000 3/24192 410.0 1.672 2.255 1.573 0.000 0.000 0.000 3/24192 420.0 1.633 2.204 1.535 0.000 0.000 0.000 3/24192 430.0 1.596 2.155 1.499 0.000 0.000 0.000 3/24192 440.0 1.561 2.109 1.465 0.000 0.000 0.000 3/24192 450.0 1.527 2.064 1.433 0.000 0.000 0.000 3/24192 460.0 1.494 2.021 1.402 0.000 0.000 0.000 3/24192 470.0 1.463 1.980 1.372 0.000 0.000 0.000 3/24192 480.0 1.434 1.941 1.344 0.000 0.000 -0.000 3/24192 490.0 1.405 1.903 1.317 0.000 0.000 -0.000 3/24192 500.0 1.378 1.867 1.290 0.000 0.000 -0.000 3/24192 510.0 1.351 1.832 1.265 0.000 0.000 -0.000 3/24192 520.0 1.326 1.798 1.241 0.000 0.000 -0.000 3/24192 530.0 1.302 1.766 1.218 0.000 0.000 -0.000 3/24192 540.0 1.278 1.735 1.195 0.000 0.000 -0.000 3/24192 550.0 1.255 1.704 1.174 0.000 0.000 -0.000 3/24192 560.0 1.234 1.675 1.153 0.000 0.000 -0.000 3/24192 570.0 1.212 1.647 1.133 0.000 0.000 -0.000 3/24192 580.0 1.192 1.620 1.114 0.000 0.000 -0.000 3/24192 590.0 1.172 1.593 1.095 0.000 0.000 -0.000 3/24192 600.0 1.153 1.568 1.077 0.000 0.000 -0.000 3/24192 610.0 1.135 1.543 1.059 0.000 0.000 -0.000 3/24192 620.0 1.117 1.519 1.042 0.000 0.000 -0.000 3/24192 630.0 1.100 1.496 1.026 0.000 0.000 -0.000 3/24192 640.0 1.083 1.474 1.010 0.000 0.000 -0.000 3/24192 650.0 1.067 1.452 0.995 0.000 0.000 -0.000 3/24192 660.0 1.051 1.430 0.980 0.000 0.000 -0.000 3/24192 670.0 1.036 1.410 0.965 0.000 0.000 -0.000 3/24192 680.0 1.021 1.390 0.951 0.000 0.000 -0.000 3/24192 690.0 1.006 1.370 0.938 0.000 0.000 -0.000 3/24192 700.0 0.992 1.351 0.924 0.000 0.000 -0.000 3/24192 710.0 0.978 1.333 0.911 0.000 0.000 -0.000 3/24192 720.0 0.965 1.315 0.899 0.000 0.000 -0.000 3/24192 730.0 0.952 1.298 0.887 0.000 0.000 -0.000 3/24192 740.0 0.940 1.281 0.875 0.000 0.000 -0.000 3/24192 750.0 0.927 1.264 0.863 0.000 0.000 -0.000 3/24192 760.0 0.915 1.248 0.852 0.000 0.000 -0.000 3/24192 770.0 0.904 1.232 0.841 0.000 0.000 -0.000 3/24192 780.0 0.892 1.217 0.830 0.000 0.000 -0.000 3/24192 790.0 0.881 1.202 0.820 0.000 0.000 -0.000 3/24192 800.0 0.871 1.187 0.810 0.000 0.000 -0.000 3/24192 810.0 0.860 1.173 0.800 0.000 0.000 -0.000 3/24192 820.0 0.850 1.159 0.790 0.000 0.000 -0.000 3/24192 830.0 0.840 1.145 0.781 0.000 0.000 -0.000 3/24192 840.0 0.830 1.132 0.772 0.000 0.000 -0.000 3/24192 850.0 0.820 1.119 0.763 0.000 0.000 -0.000 3/24192 860.0 0.811 1.107 0.754 0.000 0.000 -0.000 3/24192 870.0 0.802 1.094 0.745 0.000 0.000 -0.000 3/24192 880.0 0.793 1.082 0.737 0.000 0.000 -0.000 3/24192 890.0 0.784 1.070 0.729 0.000 0.000 -0.000 3/24192 900.0 0.775 1.059 0.721 0.000 0.000 -0.000 3/24192 910.0 0.767 1.047 0.713 0.000 0.000 -0.000 3/24192 920.0 0.759 1.036 0.705 0.000 0.000 -0.000 3/24192 930.0 0.751 1.025 0.697 0.000 0.000 -0.000 3/24192 940.0 0.743 1.014 0.690 0.000 0.000 -0.000 3/24192 950.0 0.735 1.004 0.683 0.000 0.000 -0.000 3/24192 960.0 0.728 0.994 0.676 0.000 0.000 -0.000 3/24192 970.0 0.720 0.984 0.669 0.000 0.000 -0.000 3/24192 980.0 0.713 0.974 0.662 0.000 0.000 -0.000 3/24192 990.0 0.706 0.964 0.656 0.000 0.000 -0.000 3/24192 1000.0 0.699 0.955 0.649 0.000 0.000 -0.000 3/24192 Thermal conductivity related properties were written into "kappa-m489.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:23:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|