----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:33:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.362345860000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.090598430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.357181320000000 Atomic positions (fractional): *1 Na 0.34593135883871 0.40681861302279 0.02014118797429 22.990 2 Na 0.65406864116129 0.90681861302279 0.97985881202571 22.990 3 Na 0.15406864116129 0.59318138697721 0.52014118797429 22.990 *4 Na 0.98048726402850 0.75000000000000 0.98384478250964 22.990 5 Na 0.84593135883871 0.09318138697721 0.47985881202571 22.990 6 Na 0.51951273597150 0.25000000000000 0.48384478250964 22.990 7 Na 0.34593135883871 0.09318138697721 0.02014118797429 22.990 8 Na 0.15406864116129 0.90681861302279 0.52014118797429 22.990 9 Na 0.84593135883871 0.40681861302279 0.47985881202571 22.990 10 Na 0.48048726402850 0.75000000000000 0.51615521749036 22.990 11 Na 0.65406864116129 0.59318138697721 0.97985881202571 22.990 12 Na 0.01951273597150 0.25000000000000 0.01615521749036 22.990 *13 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 16 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 *17 Si 0.17595215685752 0.13134523983102 0.51307891453031 28.085 18 Si 0.32404784314248 0.63134523983102 0.01307891453031 28.085 19 Si 0.17595215685752 0.36865476016898 0.51307891453031 28.085 20 Si 0.82404784314248 0.86865476016898 0.48692108546969 28.085 21 Si 0.82404784314248 0.63134523983102 0.48692108546969 28.085 22 Si 0.67595215685752 0.13134523983102 0.98692108546969 28.085 23 Si 0.32404784314248 0.86865476016898 0.01307891453031 28.085 24 Si 0.67595215685752 0.36865476016898 0.98692108546969 28.085 *25 O 0.34741139448576 0.11992133818244 0.47181106030997 15.999 *26 O 0.08988380202772 0.44157654696135 0.31893099554331 15.999 27 O 0.91011619797228 0.55842345303865 0.68106900445669 15.999 *28 O 0.87079440011404 0.60709035398152 0.19968254135296 15.999 29 O 0.08988380202772 0.05842345303865 0.31893099554331 15.999 30 O 0.34741139448576 0.38007866181756 0.47181106030997 15.999 31 O 0.37079440011404 0.60709035398152 0.30031745864704 15.999 32 O 0.58988380202772 0.44157654696135 0.18106900445669 15.999 33 O 0.15258860551424 0.61992133818244 0.97181106030997 15.999 34 O 0.65258860551424 0.61992133818244 0.52818893969003 15.999 35 O 0.84741139448576 0.38007866181756 0.02818893969003 15.999 36 O 0.84741139448576 0.11992133818244 0.02818893969003 15.999 37 O 0.58988380202772 0.05842345303865 0.18106900445669 15.999 38 O 0.12920559988596 0.39290964601848 0.80031745864704 15.999 39 O 0.12920559988596 0.10709035398152 0.80031745864704 15.999 40 O 0.37079440011404 0.89290964601848 0.30031745864704 15.999 *41 O 0.87648730965127 0.75000000000000 0.56037761315275 15.999 42 O 0.65258860551424 0.88007866181756 0.52818893969003 15.999 43 O 0.12351269034873 0.25000000000000 0.43962238684725 15.999 44 O 0.15258860551424 0.88007866181756 0.97181106030997 15.999 45 O 0.87079440011404 0.89290964601848 0.19968254135296 15.999 46 O 0.91011619797228 0.94157654696135 0.68106900445669 15.999 47 O 0.62920559988596 0.10709035398152 0.69968254135296 15.999 48 O 0.62920559988596 0.39290964601848 0.69968254135296 15.999 49 O 0.41011619797228 0.94157654696135 0.81893099554331 15.999 50 O 0.37648730965127 0.75000000000000 0.93962238684725 15.999 51 O 0.62351269034873 0.25000000000000 0.06037761315275 15.999 52 O 0.41011619797228 0.55842345303865 0.81893099554331 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.362345860000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.090598430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.357181320000000 Atomic positions (fractional): *1 Na 0.34593135883871 0.40681861302279 0.02014118797429 22.990 > 1 2 Na 0.65406864116129 0.90681861302279 0.97985881202571 22.990 > 2 3 Na 0.15406864116129 0.59318138697721 0.52014118797429 22.990 > 3 *4 Na 0.98048726402850 0.75000000000000 0.98384478250964 22.990 > 4 5 Na 0.84593135883871 0.09318138697721 0.47985881202571 22.990 > 5 6 Na 0.51951273597150 0.25000000000000 0.48384478250964 22.990 > 6 7 Na 0.34593135883871 0.09318138697721 0.02014118797429 22.990 > 7 8 Na 0.15406864116129 0.90681861302279 0.52014118797429 22.990 > 8 9 Na 0.84593135883871 0.40681861302279 0.47985881202571 22.990 > 9 10 Na 0.48048726402850 0.75000000000000 0.51615521749036 22.990 > 10 11 Na 0.65406864116129 0.59318138697721 0.97985881202571 22.990 > 11 12 Na 0.01951273597150 0.25000000000000 0.01615521749036 22.990 > 12 *13 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 13 14 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 14 15 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 15 16 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 16 *17 Si 0.17595215685752 0.13134523983102 0.51307891453031 28.085 > 17 18 Si 0.32404784314248 0.63134523983102 0.01307891453031 28.085 > 18 19 Si 0.17595215685752 0.36865476016898 0.51307891453031 28.085 > 19 20 Si 0.82404784314248 0.86865476016898 0.48692108546969 28.085 > 20 21 Si 0.82404784314248 0.63134523983102 0.48692108546969 28.085 > 21 22 Si 0.67595215685752 0.13134523983102 0.98692108546969 28.085 > 22 23 Si 0.32404784314248 0.86865476016898 0.01307891453031 28.085 > 23 24 Si 0.67595215685752 0.36865476016898 0.98692108546969 28.085 > 24 *25 O 0.34741139448576 0.11992133818244 0.47181106030997 15.999 > 25 *26 O 0.08988380202772 0.44157654696135 0.31893099554331 15.999 > 26 27 O 0.91011619797228 0.55842345303865 0.68106900445669 15.999 > 27 *28 O 0.87079440011404 0.60709035398152 0.19968254135296 15.999 > 28 29 O 0.08988380202772 0.05842345303865 0.31893099554331 15.999 > 29 30 O 0.34741139448576 0.38007866181756 0.47181106030997 15.999 > 30 31 O 0.37079440011404 0.60709035398152 0.30031745864704 15.999 > 31 32 O 0.58988380202772 0.44157654696135 0.18106900445669 15.999 > 32 33 O 0.15258860551424 0.61992133818244 0.97181106030997 15.999 > 33 34 O 0.65258860551424 0.61992133818244 0.52818893969003 15.999 > 34 35 O 0.84741139448576 0.38007866181756 0.02818893969003 15.999 > 35 36 O 0.84741139448576 0.11992133818244 0.02818893969003 15.999 > 36 37 O 0.58988380202772 0.05842345303865 0.18106900445669 15.999 > 37 38 O 0.12920559988596 0.39290964601848 0.80031745864704 15.999 > 38 39 O 0.12920559988596 0.10709035398152 0.80031745864704 15.999 > 39 40 O 0.37079440011404 0.89290964601848 0.30031745864704 15.999 > 40 *41 O 0.87648730965127 0.75000000000000 0.56037761315275 15.999 > 41 42 O 0.65258860551424 0.88007866181756 0.52818893969003 15.999 > 42 43 O 0.12351269034873 0.25000000000000 0.43962238684725 15.999 > 43 44 O 0.15258860551424 0.88007866181756 0.97181106030997 15.999 > 44 45 O 0.87079440011404 0.89290964601848 0.19968254135296 15.999 > 45 46 O 0.91011619797228 0.94157654696135 0.68106900445669 15.999 > 46 47 O 0.62920559988596 0.10709035398152 0.69968254135296 15.999 > 47 48 O 0.62920559988596 0.39290964601848 0.69968254135296 15.999 > 48 49 O 0.41011619797228 0.94157654696135 0.81893099554331 15.999 > 49 50 O 0.37648730965127 0.75000000000000 0.93962238684725 15.999 > 50 51 O 0.62351269034873 0.25000000000000 0.06037761315275 15.999 > 51 52 O 0.41011619797228 0.55842345303865 0.81893099554331 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.362345860000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.090598430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.714362639999999 Atomic positions (fractional): *1 Na 0.34593135883871 0.40681861302279 0.01007059398715 22.990 > 1 2 Na 0.34593135883871 0.40681861302279 0.51007059398715 22.990 > 1 3 Na 0.65406864116129 0.90681861302279 0.48992940601286 22.990 > 2 4 Na 0.65406864116129 0.90681861302279 0.98992940601285 22.990 > 2 5 Na 0.15406864116129 0.59318138697721 0.26007059398714 22.990 > 3 6 Na 0.15406864116129 0.59318138697721 0.76007059398715 22.990 > 3 *7 Na 0.98048726402850 0.75000000000000 0.49192239125482 22.990 > 4 8 Na 0.98048726402850 0.75000000000000 0.99192239125482 22.990 > 4 9 Na 0.84593135883871 0.09318138697721 0.23992940601286 22.990 > 5 10 Na 0.84593135883871 0.09318138697721 0.73992940601285 22.990 > 5 11 Na 0.51951273597150 0.25000000000000 0.24192239125482 22.990 > 6 12 Na 0.51951273597150 0.25000000000000 0.74192239125482 22.990 > 6 13 Na 0.34593135883871 0.09318138697721 0.01007059398715 22.990 > 7 14 Na 0.34593135883871 0.09318138697721 0.51007059398715 22.990 > 7 15 Na 0.15406864116129 0.90681861302279 0.26007059398714 22.990 > 8 16 Na 0.15406864116129 0.90681861302279 0.76007059398715 22.990 > 8 17 Na 0.84593135883871 0.40681861302279 0.23992940601286 22.990 > 9 18 Na 0.84593135883871 0.40681861302279 0.73992940601285 22.990 > 9 19 Na 0.48048726402850 0.75000000000000 0.25807760874518 22.990 > 10 20 Na 0.48048726402850 0.75000000000000 0.75807760874518 22.990 > 10 21 Na 0.65406864116129 0.59318138697721 0.48992940601286 22.990 > 11 22 Na 0.65406864116129 0.59318138697721 0.98992940601285 22.990 > 11 23 Na 0.01951273597150 0.25000000000000 0.00807760874518 22.990 > 12 24 Na 0.01951273597150 0.25000000000000 0.50807760874518 22.990 > 12 *25 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 13 26 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 13 27 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 14 28 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 14 29 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 15 30 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 15 31 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 16 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 16 *33 Si 0.17595215685752 0.13134523983102 0.25653945726515 28.085 > 17 34 Si 0.17595215685752 0.13134523983102 0.75653945726515 28.085 > 17 35 Si 0.32404784314248 0.63134523983102 0.00653945726515 28.085 > 18 36 Si 0.32404784314248 0.63134523983102 0.50653945726515 28.085 > 18 37 Si 0.17595215685752 0.36865476016898 0.25653945726515 28.085 > 19 38 Si 0.17595215685752 0.36865476016898 0.75653945726515 28.085 > 19 39 Si 0.82404784314248 0.86865476016898 0.24346054273485 28.085 > 20 40 Si 0.82404784314248 0.86865476016898 0.74346054273485 28.085 > 20 41 Si 0.82404784314248 0.63134523983102 0.24346054273485 28.085 > 21 42 Si 0.82404784314248 0.63134523983102 0.74346054273485 28.085 > 21 43 Si 0.67595215685752 0.13134523983102 0.49346054273485 28.085 > 22 44 Si 0.67595215685752 0.13134523983102 0.99346054273485 28.085 > 22 45 Si 0.32404784314248 0.86865476016898 0.00653945726515 28.085 > 23 46 Si 0.32404784314248 0.86865476016898 0.50653945726515 28.085 > 23 47 Si 0.67595215685752 0.36865476016898 0.49346054273485 28.085 > 24 48 Si 0.67595215685752 0.36865476016898 0.99346054273485 28.085 > 24 *49 O 0.34741139448576 0.11992133818244 0.23590553015498 15.999 > 25 50 O 0.34741139448576 0.11992133818244 0.73590553015499 15.999 > 25 *51 O 0.08988380202772 0.44157654696135 0.15946549777165 15.999 > 26 52 O 0.08988380202772 0.44157654696135 0.65946549777165 15.999 > 26 53 O 0.91011619797228 0.55842345303865 0.34053450222835 15.999 > 27 54 O 0.91011619797228 0.55842345303865 0.84053450222835 15.999 > 27 *55 O 0.87079440011404 0.60709035398152 0.09984127067648 15.999 > 28 56 O 0.87079440011404 0.60709035398152 0.59984127067648 15.999 > 28 57 O 0.08988380202772 0.05842345303865 0.15946549777165 15.999 > 29 58 O 0.08988380202772 0.05842345303865 0.65946549777165 15.999 > 29 59 O 0.34741139448576 0.38007866181756 0.23590553015498 15.999 > 30 60 O 0.34741139448576 0.38007866181756 0.73590553015499 15.999 > 30 61 O 0.37079440011404 0.60709035398152 0.15015872932352 15.999 > 31 62 O 0.37079440011404 0.60709035398152 0.65015872932352 15.999 > 31 63 O 0.58988380202772 0.44157654696135 0.09053450222835 15.999 > 32 64 O 0.58988380202772 0.44157654696135 0.59053450222835 15.999 > 32 65 O 0.15258860551424 0.61992133818244 0.48590553015498 15.999 > 33 66 O 0.15258860551424 0.61992133818244 0.98590553015499 15.999 > 33 67 O 0.65258860551424 0.61992133818244 0.26409446984502 15.999 > 34 68 O 0.65258860551424 0.61992133818244 0.76409446984501 15.999 > 34 69 O 0.84741139448576 0.38007866181756 0.01409446984502 15.999 > 35 70 O 0.84741139448576 0.38007866181756 0.51409446984501 15.999 > 35 71 O 0.84741139448576 0.11992133818244 0.01409446984502 15.999 > 36 72 O 0.84741139448576 0.11992133818244 0.51409446984501 15.999 > 36 73 O 0.58988380202772 0.05842345303865 0.09053450222835 15.999 > 37 74 O 0.58988380202772 0.05842345303865 0.59053450222835 15.999 > 37 75 O 0.12920559988596 0.39290964601848 0.40015872932352 15.999 > 38 76 O 0.12920559988596 0.39290964601848 0.90015872932352 15.999 > 38 77 O 0.12920559988596 0.10709035398152 0.40015872932352 15.999 > 39 78 O 0.12920559988596 0.10709035398152 0.90015872932352 15.999 > 39 79 O 0.37079440011404 0.89290964601848 0.15015872932352 15.999 > 40 80 O 0.37079440011404 0.89290964601848 0.65015872932352 15.999 > 40 *81 O 0.87648730965127 0.75000000000000 0.28018880657638 15.999 > 41 82 O 0.87648730965127 0.75000000000000 0.78018880657638 15.999 > 41 83 O 0.65258860551424 0.88007866181756 0.26409446984502 15.999 > 42 84 O 0.65258860551424 0.88007866181756 0.76409446984501 15.999 > 42 85 O 0.12351269034873 0.25000000000000 0.21981119342362 15.999 > 43 86 O 0.12351269034873 0.25000000000000 0.71981119342362 15.999 > 43 87 O 0.15258860551424 0.88007866181756 0.48590553015498 15.999 > 44 88 O 0.15258860551424 0.88007866181756 0.98590553015499 15.999 > 44 89 O 0.87079440011404 0.89290964601848 0.09984127067648 15.999 > 45 90 O 0.87079440011404 0.89290964601848 0.59984127067648 15.999 > 45 91 O 0.91011619797228 0.94157654696135 0.34053450222835 15.999 > 46 92 O 0.91011619797228 0.94157654696135 0.84053450222835 15.999 > 46 93 O 0.62920559988596 0.10709035398152 0.34984127067648 15.999 > 47 94 O 0.62920559988596 0.10709035398152 0.84984127067648 15.999 > 47 95 O 0.62920559988596 0.39290964601848 0.34984127067648 15.999 > 48 96 O 0.62920559988596 0.39290964601848 0.84984127067648 15.999 > 48 97 O 0.41011619797228 0.94157654696135 0.40946549777165 15.999 > 49 98 O 0.41011619797228 0.94157654696135 0.90946549777165 15.999 > 49 99 O 0.37648730965127 0.75000000000000 0.46981119342362 15.999 > 50 100 O 0.37648730965127 0.75000000000000 0.96981119342362 15.999 > 50 101 O 0.62351269034873 0.25000000000000 0.03018880657638 15.999 > 51 102 O 0.62351269034873 0.25000000000000 0.53018880657638 15.999 > 51 103 O 0.41011619797228 0.55842345303865 0.40946549777165 15.999 > 52 104 O 0.41011619797228 0.55842345303865 0.90946549777165 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8866407 0.0000000 0.0000000 0.0000000 2.8436261 0.0000000 0.0000000 0.0000000 2.9261917 -------------------------- Born effective charges -------------------------- 1 Na 1.1449399 0.0251617 0.0099141 -0.0142953 0.9212640 -0.0124629 0.0409658 -0.0281539 1.1466876 2 Na 1.1449399 -0.0251617 0.0099141 0.0142953 0.9212640 0.0124629 0.0409658 0.0281539 1.1466876 3 Na 1.1449399 0.0251617 -0.0099141 -0.0142953 0.9212640 0.0124629 -0.0409658 0.0281539 1.1466876 4 Na 0.9467914 -0.0000000 0.0156550 0.0000000 1.2809348 -0.0000000 -0.0137889 -0.0000000 1.0003282 5 Na 1.1449399 -0.0251617 -0.0099141 0.0142953 0.9212640 -0.0124629 -0.0409658 -0.0281539 1.1466876 6 Na 0.9467914 -0.0000000 -0.0156550 0.0000000 1.2809348 -0.0000000 0.0137889 -0.0000000 1.0003282 7 Na 1.1449399 -0.0251617 0.0099141 0.0142953 0.9212640 0.0124629 0.0409658 0.0281539 1.1466876 8 Na 1.1449399 -0.0251617 -0.0099141 0.0142953 0.9212640 -0.0124629 -0.0409658 -0.0281539 1.1466876 9 Na 1.1449399 0.0251617 -0.0099141 -0.0142953 0.9212640 0.0124629 -0.0409658 0.0281539 1.1466876 10 Na 0.9467914 -0.0000000 -0.0156550 0.0000000 1.2809348 -0.0000000 0.0137889 -0.0000000 1.0003282 11 Na 1.1449399 0.0251617 0.0099141 -0.0142953 0.9212640 -0.0124629 0.0409658 -0.0281539 1.1466876 12 Na 0.9467914 -0.0000000 0.0156550 0.0000000 1.2809348 -0.0000000 -0.0137889 -0.0000000 1.0003282 13 Sc 3.9445663 -0.2003706 -0.3013849 0.2258048 3.4933992 -0.3716847 0.0639190 0.1281963 4.1425687 14 Sc 3.9445663 0.2003706 0.3013849 -0.2258048 3.4933992 -0.3716847 -0.0639190 0.1281963 4.1425687 15 Sc 3.9445663 -0.2003706 0.3013849 0.2258048 3.4933992 0.3716847 -0.0639190 -0.1281963 4.1425687 16 Sc 3.9445663 0.2003706 -0.3013849 -0.2258048 3.4933992 0.3716847 0.0639190 -0.1281963 4.1425687 17 Si 3.0941762 0.1890333 -0.1616731 -0.2692079 3.3042019 -0.2101756 0.1849155 0.2758016 3.1248489 18 Si 3.0941762 -0.1890333 0.1616731 0.2692079 3.3042019 -0.2101756 -0.1849155 0.2758016 3.1248489 19 Si 3.0941762 -0.1890333 -0.1616731 0.2692079 3.3042019 0.2101756 0.1849155 -0.2758016 3.1248489 20 Si 3.0941762 0.1890333 -0.1616731 -0.2692079 3.3042019 -0.2101756 0.1849155 0.2758016 3.1248489 21 Si 3.0941762 -0.1890333 -0.1616731 0.2692079 3.3042019 0.2101756 0.1849155 -0.2758016 3.1248489 22 Si 3.0941762 0.1890333 0.1616731 -0.2692079 3.3042019 0.2101756 -0.1849155 -0.2758016 3.1248489 23 Si 3.0941762 0.1890333 0.1616731 -0.2692079 3.3042019 0.2101756 -0.1849155 -0.2758016 3.1248489 24 Si 3.0941762 -0.1890333 0.1616731 0.2692079 3.3042019 -0.2101756 -0.1849155 0.2758016 3.1248489 25 O -2.6477871 0.6222451 0.1125217 0.5215050 -1.7417760 0.0549971 -0.0278819 -0.0362540 -1.3128346 26 O -1.7527832 0.4379767 -0.6888948 0.3885980 -1.5824108 0.6513136 -0.6926130 0.7255188 -2.5338264 27 O -1.7527832 0.4379767 -0.6888948 0.3885980 -1.5824108 0.6513136 -0.6926130 0.7255188 -2.5338264 28 O -1.6596863 0.3707720 0.5272586 0.2989025 -1.6606293 -0.4510628 0.5517317 -0.4999841 -2.3636879 29 O -1.7527832 -0.4379767 -0.6888948 -0.3885980 -1.5824108 -0.6513136 -0.6926130 -0.7255188 -2.5338264 30 O -2.6477871 -0.6222451 0.1125217 -0.5215050 -1.7417760 -0.0549971 -0.0278819 0.0362540 -1.3128346 31 O -1.6596863 0.3707720 -0.5272586 0.2989025 -1.6606293 0.4510628 -0.5517317 0.4999841 -2.3636879 32 O -1.7527832 0.4379767 0.6888948 0.3885980 -1.5824108 -0.6513136 0.6926130 -0.7255188 -2.5338264 33 O -2.6477871 -0.6222451 -0.1125217 -0.5215050 -1.7417760 0.0549971 0.0278819 -0.0362540 -1.3128346 34 O -2.6477871 -0.6222451 0.1125217 -0.5215050 -1.7417760 -0.0549971 -0.0278819 0.0362540 -1.3128346 35 O -2.6477871 -0.6222451 -0.1125217 -0.5215050 -1.7417760 0.0549971 0.0278819 -0.0362540 -1.3128346 36 O -2.6477871 0.6222451 -0.1125217 0.5215050 -1.7417760 -0.0549971 0.0278819 0.0362540 -1.3128346 37 O -1.7527832 -0.4379767 0.6888948 -0.3885980 -1.5824108 0.6513136 0.6926130 0.7255188 -2.5338264 38 O -1.6596863 0.3707720 0.5272586 0.2989025 -1.6606293 -0.4510628 0.5517317 -0.4999841 -2.3636879 39 O -1.6596863 -0.3707720 0.5272586 -0.2989025 -1.6606293 0.4510628 0.5517317 0.4999841 -2.3636879 40 O -1.6596863 -0.3707720 -0.5272586 -0.2989025 -1.6606293 -0.4510628 -0.5517317 -0.4999841 -2.3636879 41 O -1.2490766 -0.0000000 -0.0747756 0.0000000 -3.2556338 -0.0000000 -0.1433449 -0.0000000 -1.2652724 42 O -2.6477871 0.6222451 0.1125217 0.5215050 -1.7417760 0.0549971 -0.0278819 -0.0362540 -1.3128346 43 O -1.2490766 -0.0000000 -0.0747756 0.0000000 -3.2556338 -0.0000000 -0.1433449 -0.0000000 -1.2652724 44 O -2.6477871 0.6222451 -0.1125217 0.5215050 -1.7417760 -0.0549971 0.0278819 0.0362540 -1.3128346 45 O -1.6596863 -0.3707720 0.5272586 -0.2989025 -1.6606293 0.4510628 0.5517317 0.4999841 -2.3636879 46 O -1.7527832 -0.4379767 -0.6888948 -0.3885980 -1.5824108 -0.6513136 -0.6926130 -0.7255188 -2.5338264 47 O -1.6596863 -0.3707720 -0.5272586 -0.2989025 -1.6606293 -0.4510628 -0.5517317 -0.4999841 -2.3636879 48 O -1.6596863 0.3707720 -0.5272586 0.2989025 -1.6606293 0.4510628 -0.5517317 0.4999841 -2.3636879 49 O -1.7527832 -0.4379767 0.6888948 -0.3885980 -1.5824108 0.6513136 0.6926130 0.7255188 -2.5338264 50 O -1.2490766 -0.0000000 0.0747756 0.0000000 -3.2556338 -0.0000000 0.1433449 -0.0000000 -1.2652724 51 O -1.2490766 -0.0000000 0.0747756 0.0000000 -3.2556338 -0.0000000 0.1433449 -0.0000000 -1.2652724 52 O -1.7527832 0.4379767 0.6888948 0.3885980 -1.5824108 -0.6513136 0.6926130 -0.7255188 -2.5338264 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3176 Number of blocks in projector: 3176 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 694 / 694 (1) 184 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 662 / 662 (1) 150 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 662 / 662 (1) 152 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 386 Use standard eigh solver. Tree of FC basis block matrices: - (3176, 3112), data: False |-- (386, 378), data: True |-- (386, 378), data: True |-- (386, 378), data: True |-- (662, 650), data: False |-- (662, 10), data: (662, 22) @ (22, 10) |-- (162, 152), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (662, 650), data: False |-- (662, 12), data: (662, 24) @ (24, 12) |-- (162, 150), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (694, 678), data: False |-- (694, 10), data: (694, 26) @ (26, 10) |-- (194, 184), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 800 - Time: 0.826 Solver_block: 200 / 800 - Time: 0.760 Solver_block: 300 / 800 - Time: 0.741 Solver_block: 400 / 800 - Time: 0.757 Solver_block: 500 / 800 - Time: 0.750 Solver_block: 600 / 800 - Time: 0.760 Solver_block: 700 / 800 - Time: 0.756 Solver_block: 800 / 800 - Time: 0.752 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.230 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3176 Number of blocks in projector: 3176 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 694 / 694 (1) 184 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 662 / 662 (1) 150 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 662 / 662 (1) 152 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 386 Use standard eigh solver. Tree of FC basis block matrices: - (3176, 3112), data: False |-- (386, 378), data: True |-- (386, 378), data: True |-- (386, 378), data: True |-- (662, 650), data: False |-- (662, 10), data: (662, 22) @ (22, 10) |-- (162, 152), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (662, 650), data: False |-- (662, 12), data: (662, 24) @ (24, 12) |-- (162, 150), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (694, 678), data: False |-- (694, 10), data: (694, 26) @ (26, 10) |-- (194, 184), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), 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 13:34:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:34:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.362345860000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.090598430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.357181320000000 Atomic positions (fractional): 1 Na 0.34593135883871 0.40681861302279 0.02014118797429 22.990 2 Na 0.65406864116129 0.90681861302279 0.97985881202571 22.990 3 Na 0.15406864116129 0.59318138697721 0.52014118797429 22.990 4 Na 0.98048726402850 0.75000000000000 0.98384478250964 22.990 5 Na 0.84593135883871 0.09318138697721 0.47985881202571 22.990 6 Na 0.51951273597150 0.25000000000000 0.48384478250964 22.990 7 Na 0.34593135883871 0.09318138697721 0.02014118797429 22.990 8 Na 0.15406864116129 0.90681861302279 0.52014118797429 22.990 9 Na 0.84593135883871 0.40681861302279 0.47985881202571 22.990 10 Na 0.48048726402850 0.75000000000000 0.51615521749036 22.990 11 Na 0.65406864116129 0.59318138697721 0.97985881202571 22.990 12 Na 0.01951273597150 0.25000000000000 0.01615521749036 22.990 13 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 16 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 17 Si 0.17595215685752 0.13134523983102 0.51307891453031 28.085 18 Si 0.32404784314248 0.63134523983102 0.01307891453031 28.085 19 Si 0.17595215685752 0.36865476016898 0.51307891453031 28.085 20 Si 0.82404784314248 0.86865476016898 0.48692108546969 28.085 21 Si 0.82404784314248 0.63134523983102 0.48692108546969 28.085 22 Si 0.67595215685752 0.13134523983102 0.98692108546969 28.085 23 Si 0.32404784314248 0.86865476016898 0.01307891453031 28.085 24 Si 0.67595215685752 0.36865476016898 0.98692108546969 28.085 25 O 0.34741139448576 0.11992133818244 0.47181106030997 15.999 26 O 0.08988380202772 0.44157654696135 0.31893099554331 15.999 27 O 0.91011619797228 0.55842345303865 0.68106900445669 15.999 28 O 0.87079440011404 0.60709035398152 0.19968254135296 15.999 29 O 0.08988380202772 0.05842345303865 0.31893099554331 15.999 30 O 0.34741139448576 0.38007866181756 0.47181106030997 15.999 31 O 0.37079440011404 0.60709035398152 0.30031745864704 15.999 32 O 0.58988380202772 0.44157654696135 0.18106900445669 15.999 33 O 0.15258860551424 0.61992133818244 0.97181106030997 15.999 34 O 0.65258860551424 0.61992133818244 0.52818893969003 15.999 35 O 0.84741139448576 0.38007866181756 0.02818893969003 15.999 36 O 0.84741139448576 0.11992133818244 0.02818893969003 15.999 37 O 0.58988380202772 0.05842345303865 0.18106900445669 15.999 38 O 0.12920559988596 0.39290964601848 0.80031745864704 15.999 39 O 0.12920559988596 0.10709035398152 0.80031745864704 15.999 40 O 0.37079440011404 0.89290964601848 0.30031745864704 15.999 41 O 0.87648730965127 0.75000000000000 0.56037761315275 15.999 42 O 0.65258860551424 0.88007866181756 0.52818893969003 15.999 43 O 0.12351269034873 0.25000000000000 0.43962238684725 15.999 44 O 0.15258860551424 0.88007866181756 0.97181106030997 15.999 45 O 0.87079440011404 0.89290964601848 0.19968254135296 15.999 46 O 0.91011619797228 0.94157654696135 0.68106900445669 15.999 47 O 0.62920559988596 0.10709035398152 0.69968254135296 15.999 48 O 0.62920559988596 0.39290964601848 0.69968254135296 15.999 49 O 0.41011619797228 0.94157654696135 0.81893099554331 15.999 50 O 0.37648730965127 0.75000000000000 0.93962238684725 15.999 51 O 0.62351269034873 0.25000000000000 0.06037761315275 15.999 52 O 0.41011619797228 0.55842345303865 0.81893099554331 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.362345860000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.090598430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.714362639999999 Atomic positions (fractional): 1 Na 0.34593135883871 0.40681861302279 0.01007059398715 22.990 > 1 2 Na 0.34593135883871 0.40681861302279 0.51007059398715 22.990 > 1 3 Na 0.65406864116129 0.90681861302279 0.48992940601286 22.990 > 3 4 Na 0.65406864116129 0.90681861302279 0.98992940601285 22.990 > 3 5 Na 0.15406864116129 0.59318138697721 0.26007059398714 22.990 > 5 6 Na 0.15406864116129 0.59318138697721 0.76007059398715 22.990 > 5 7 Na 0.98048726402850 0.75000000000000 0.49192239125482 22.990 > 7 8 Na 0.98048726402850 0.75000000000000 0.99192239125482 22.990 > 7 9 Na 0.84593135883871 0.09318138697721 0.23992940601286 22.990 > 9 10 Na 0.84593135883871 0.09318138697721 0.73992940601285 22.990 > 9 11 Na 0.51951273597150 0.25000000000000 0.24192239125482 22.990 > 11 12 Na 0.51951273597150 0.25000000000000 0.74192239125482 22.990 > 11 13 Na 0.34593135883871 0.09318138697721 0.01007059398715 22.990 > 13 14 Na 0.34593135883871 0.09318138697721 0.51007059398715 22.990 > 13 15 Na 0.15406864116129 0.90681861302279 0.26007059398714 22.990 > 15 16 Na 0.15406864116129 0.90681861302279 0.76007059398715 22.990 > 15 17 Na 0.84593135883871 0.40681861302279 0.23992940601286 22.990 > 17 18 Na 0.84593135883871 0.40681861302279 0.73992940601285 22.990 > 17 19 Na 0.48048726402850 0.75000000000000 0.25807760874518 22.990 > 19 20 Na 0.48048726402850 0.75000000000000 0.75807760874518 22.990 > 19 21 Na 0.65406864116129 0.59318138697721 0.48992940601286 22.990 > 21 22 Na 0.65406864116129 0.59318138697721 0.98992940601285 22.990 > 21 23 Na 0.01951273597150 0.25000000000000 0.00807760874518 22.990 > 23 24 Na 0.01951273597150 0.25000000000000 0.50807760874518 22.990 > 23 25 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 25 26 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 25 27 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 27 28 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 27 29 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 29 30 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 29 31 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 31 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 31 33 Si 0.17595215685752 0.13134523983102 0.25653945726515 28.085 > 33 34 Si 0.17595215685752 0.13134523983102 0.75653945726515 28.085 > 33 35 Si 0.32404784314248 0.63134523983102 0.00653945726515 28.085 > 35 36 Si 0.32404784314248 0.63134523983102 0.50653945726515 28.085 > 35 37 Si 0.17595215685752 0.36865476016898 0.25653945726515 28.085 > 37 38 Si 0.17595215685752 0.36865476016898 0.75653945726515 28.085 > 37 39 Si 0.82404784314248 0.86865476016898 0.24346054273485 28.085 > 39 40 Si 0.82404784314248 0.86865476016898 0.74346054273485 28.085 > 39 41 Si 0.82404784314248 0.63134523983102 0.24346054273485 28.085 > 41 42 Si 0.82404784314248 0.63134523983102 0.74346054273485 28.085 > 41 43 Si 0.67595215685752 0.13134523983102 0.49346054273485 28.085 > 43 44 Si 0.67595215685752 0.13134523983102 0.99346054273485 28.085 > 43 45 Si 0.32404784314248 0.86865476016898 0.00653945726515 28.085 > 45 46 Si 0.32404784314248 0.86865476016898 0.50653945726515 28.085 > 45 47 Si 0.67595215685752 0.36865476016898 0.49346054273485 28.085 > 47 48 Si 0.67595215685752 0.36865476016898 0.99346054273485 28.085 > 47 49 O 0.34741139448576 0.11992133818244 0.23590553015498 15.999 > 49 50 O 0.34741139448576 0.11992133818244 0.73590553015499 15.999 > 49 51 O 0.08988380202772 0.44157654696135 0.15946549777165 15.999 > 51 52 O 0.08988380202772 0.44157654696135 0.65946549777165 15.999 > 51 53 O 0.91011619797228 0.55842345303865 0.34053450222835 15.999 > 53 54 O 0.91011619797228 0.55842345303865 0.84053450222835 15.999 > 53 55 O 0.87079440011404 0.60709035398152 0.09984127067648 15.999 > 55 56 O 0.87079440011404 0.60709035398152 0.59984127067648 15.999 > 55 57 O 0.08988380202772 0.05842345303865 0.15946549777165 15.999 > 57 58 O 0.08988380202772 0.05842345303865 0.65946549777165 15.999 > 57 59 O 0.34741139448576 0.38007866181756 0.23590553015498 15.999 > 59 60 O 0.34741139448576 0.38007866181756 0.73590553015499 15.999 > 59 61 O 0.37079440011404 0.60709035398152 0.15015872932352 15.999 > 61 62 O 0.37079440011404 0.60709035398152 0.65015872932352 15.999 > 61 63 O 0.58988380202772 0.44157654696135 0.09053450222835 15.999 > 63 64 O 0.58988380202772 0.44157654696135 0.59053450222835 15.999 > 63 65 O 0.15258860551424 0.61992133818244 0.48590553015498 15.999 > 65 66 O 0.15258860551424 0.61992133818244 0.98590553015499 15.999 > 65 67 O 0.65258860551424 0.61992133818244 0.26409446984502 15.999 > 67 68 O 0.65258860551424 0.61992133818244 0.76409446984501 15.999 > 67 69 O 0.84741139448576 0.38007866181756 0.01409446984502 15.999 > 69 70 O 0.84741139448576 0.38007866181756 0.51409446984501 15.999 > 69 71 O 0.84741139448576 0.11992133818244 0.01409446984502 15.999 > 71 72 O 0.84741139448576 0.11992133818244 0.51409446984501 15.999 > 71 73 O 0.58988380202772 0.05842345303865 0.09053450222835 15.999 > 73 74 O 0.58988380202772 0.05842345303865 0.59053450222835 15.999 > 73 75 O 0.12920559988596 0.39290964601848 0.40015872932352 15.999 > 75 76 O 0.12920559988596 0.39290964601848 0.90015872932352 15.999 > 75 77 O 0.12920559988596 0.10709035398152 0.40015872932352 15.999 > 77 78 O 0.12920559988596 0.10709035398152 0.90015872932352 15.999 > 77 79 O 0.37079440011404 0.89290964601848 0.15015872932352 15.999 > 79 80 O 0.37079440011404 0.89290964601848 0.65015872932352 15.999 > 79 81 O 0.87648730965127 0.75000000000000 0.28018880657638 15.999 > 81 82 O 0.87648730965127 0.75000000000000 0.78018880657638 15.999 > 81 83 O 0.65258860551424 0.88007866181756 0.26409446984502 15.999 > 83 84 O 0.65258860551424 0.88007866181756 0.76409446984501 15.999 > 83 85 O 0.12351269034873 0.25000000000000 0.21981119342362 15.999 > 85 86 O 0.12351269034873 0.25000000000000 0.71981119342362 15.999 > 85 87 O 0.15258860551424 0.88007866181756 0.48590553015498 15.999 > 87 88 O 0.15258860551424 0.88007866181756 0.98590553015499 15.999 > 87 89 O 0.87079440011404 0.89290964601848 0.09984127067648 15.999 > 89 90 O 0.87079440011404 0.89290964601848 0.59984127067648 15.999 > 89 91 O 0.91011619797228 0.94157654696135 0.34053450222835 15.999 > 91 92 O 0.91011619797228 0.94157654696135 0.84053450222835 15.999 > 91 93 O 0.62920559988596 0.10709035398152 0.34984127067648 15.999 > 93 94 O 0.62920559988596 0.10709035398152 0.84984127067648 15.999 > 93 95 O 0.62920559988596 0.39290964601848 0.34984127067648 15.999 > 95 96 O 0.62920559988596 0.39290964601848 0.84984127067648 15.999 > 95 97 O 0.41011619797228 0.94157654696135 0.40946549777165 15.999 > 97 98 O 0.41011619797228 0.94157654696135 0.90946549777165 15.999 > 97 99 O 0.37648730965127 0.75000000000000 0.46981119342362 15.999 > 99 100 O 0.37648730965127 0.75000000000000 0.96981119342362 15.999 > 99 101 O 0.62351269034873 0.25000000000000 0.03018880657638 15.999 > 101 102 O 0.62351269034873 0.25000000000000 0.53018880657638 15.999 > 101 103 O 0.41011619797228 0.55842345303865 0.40946549777165 15.999 > 103 104 O 0.41011619797228 0.55842345303865 0.90946549777165 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8866407 0.0000000 0.0000000 0.0000000 2.8436261 0.0000000 0.0000000 0.0000000 2.9261917 -------------------------- Born effective charges -------------------------- 1 Na 1.1449399 0.0251617 0.0099141 -0.0142953 0.9212640 -0.0124629 0.0409658 -0.0281539 1.1466876 2 Na 1.1449399 -0.0251617 0.0099141 0.0142953 0.9212640 0.0124629 0.0409658 0.0281539 1.1466876 3 Na 1.1449399 0.0251617 -0.0099141 -0.0142953 0.9212640 0.0124629 -0.0409658 0.0281539 1.1466876 4 Na 0.9467914 -0.0000000 0.0156550 0.0000000 1.2809348 -0.0000000 -0.0137889 -0.0000000 1.0003282 5 Na 1.1449399 -0.0251617 -0.0099141 0.0142953 0.9212640 -0.0124629 -0.0409658 -0.0281539 1.1466876 6 Na 0.9467914 -0.0000000 -0.0156550 0.0000000 1.2809348 -0.0000000 0.0137889 -0.0000000 1.0003282 7 Na 1.1449399 -0.0251617 0.0099141 0.0142953 0.9212640 0.0124629 0.0409658 0.0281539 1.1466876 8 Na 1.1449399 -0.0251617 -0.0099141 0.0142953 0.9212640 -0.0124629 -0.0409658 -0.0281539 1.1466876 9 Na 1.1449399 0.0251617 -0.0099141 -0.0142953 0.9212640 0.0124629 -0.0409658 0.0281539 1.1466876 10 Na 0.9467914 -0.0000000 -0.0156550 0.0000000 1.2809348 -0.0000000 0.0137889 -0.0000000 1.0003282 11 Na 1.1449399 0.0251617 0.0099141 -0.0142953 0.9212640 -0.0124629 0.0409658 -0.0281539 1.1466876 12 Na 0.9467914 -0.0000000 0.0156550 0.0000000 1.2809348 -0.0000000 -0.0137889 -0.0000000 1.0003282 13 Sc 3.9445663 -0.2003706 -0.3013849 0.2258048 3.4933992 -0.3716847 0.0639190 0.1281963 4.1425687 14 Sc 3.9445663 0.2003706 0.3013849 -0.2258048 3.4933992 -0.3716847 -0.0639190 0.1281963 4.1425687 15 Sc 3.9445663 -0.2003706 0.3013849 0.2258048 3.4933992 0.3716847 -0.0639190 -0.1281963 4.1425687 16 Sc 3.9445663 0.2003706 -0.3013849 -0.2258048 3.4933992 0.3716847 0.0639190 -0.1281963 4.1425687 17 Si 3.0941762 0.1890333 -0.1616731 -0.2692079 3.3042019 -0.2101756 0.1849155 0.2758016 3.1248489 18 Si 3.0941762 -0.1890333 0.1616731 0.2692079 3.3042019 -0.2101756 -0.1849155 0.2758016 3.1248489 19 Si 3.0941762 -0.1890333 -0.1616731 0.2692079 3.3042019 0.2101756 0.1849155 -0.2758016 3.1248489 20 Si 3.0941762 0.1890333 -0.1616731 -0.2692079 3.3042019 -0.2101756 0.1849155 0.2758016 3.1248489 21 Si 3.0941762 -0.1890333 -0.1616731 0.2692079 3.3042019 0.2101756 0.1849155 -0.2758016 3.1248489 22 Si 3.0941762 0.1890333 0.1616731 -0.2692079 3.3042019 0.2101756 -0.1849155 -0.2758016 3.1248489 23 Si 3.0941762 0.1890333 0.1616731 -0.2692079 3.3042019 0.2101756 -0.1849155 -0.2758016 3.1248489 24 Si 3.0941762 -0.1890333 0.1616731 0.2692079 3.3042019 -0.2101756 -0.1849155 0.2758016 3.1248489 25 O -2.6477871 0.6222451 0.1125217 0.5215050 -1.7417760 0.0549971 -0.0278819 -0.0362540 -1.3128346 26 O -1.7527832 0.4379767 -0.6888948 0.3885980 -1.5824108 0.6513136 -0.6926130 0.7255188 -2.5338264 27 O -1.7527832 0.4379767 -0.6888948 0.3885980 -1.5824108 0.6513136 -0.6926130 0.7255188 -2.5338264 28 O -1.6596863 0.3707720 0.5272586 0.2989025 -1.6606293 -0.4510628 0.5517317 -0.4999841 -2.3636879 29 O -1.7527832 -0.4379767 -0.6888948 -0.3885980 -1.5824108 -0.6513136 -0.6926130 -0.7255188 -2.5338264 30 O -2.6477871 -0.6222451 0.1125217 -0.5215050 -1.7417760 -0.0549971 -0.0278819 0.0362540 -1.3128346 31 O -1.6596863 0.3707720 -0.5272586 0.2989025 -1.6606293 0.4510628 -0.5517317 0.4999841 -2.3636879 32 O -1.7527832 0.4379767 0.6888948 0.3885980 -1.5824108 -0.6513136 0.6926130 -0.7255188 -2.5338264 33 O -2.6477871 -0.6222451 -0.1125217 -0.5215050 -1.7417760 0.0549971 0.0278819 -0.0362540 -1.3128346 34 O -2.6477871 -0.6222451 0.1125217 -0.5215050 -1.7417760 -0.0549971 -0.0278819 0.0362540 -1.3128346 35 O -2.6477871 -0.6222451 -0.1125217 -0.5215050 -1.7417760 0.0549971 0.0278819 -0.0362540 -1.3128346 36 O -2.6477871 0.6222451 -0.1125217 0.5215050 -1.7417760 -0.0549971 0.0278819 0.0362540 -1.3128346 37 O -1.7527832 -0.4379767 0.6888948 -0.3885980 -1.5824108 0.6513136 0.6926130 0.7255188 -2.5338264 38 O -1.6596863 0.3707720 0.5272586 0.2989025 -1.6606293 -0.4510628 0.5517317 -0.4999841 -2.3636879 39 O -1.6596863 -0.3707720 0.5272586 -0.2989025 -1.6606293 0.4510628 0.5517317 0.4999841 -2.3636879 40 O -1.6596863 -0.3707720 -0.5272586 -0.2989025 -1.6606293 -0.4510628 -0.5517317 -0.4999841 -2.3636879 41 O -1.2490766 -0.0000000 -0.0747756 0.0000000 -3.2556338 -0.0000000 -0.1433449 -0.0000000 -1.2652724 42 O -2.6477871 0.6222451 0.1125217 0.5215050 -1.7417760 0.0549971 -0.0278819 -0.0362540 -1.3128346 43 O -1.2490766 -0.0000000 -0.0747756 0.0000000 -3.2556338 -0.0000000 -0.1433449 -0.0000000 -1.2652724 44 O -2.6477871 0.6222451 -0.1125217 0.5215050 -1.7417760 -0.0549971 0.0278819 0.0362540 -1.3128346 45 O -1.6596863 -0.3707720 0.5272586 -0.2989025 -1.6606293 0.4510628 0.5517317 0.4999841 -2.3636879 46 O -1.7527832 -0.4379767 -0.6888948 -0.3885980 -1.5824108 -0.6513136 -0.6926130 -0.7255188 -2.5338264 47 O -1.6596863 -0.3707720 -0.5272586 -0.2989025 -1.6606293 -0.4510628 -0.5517317 -0.4999841 -2.3636879 48 O -1.6596863 0.3707720 -0.5272586 0.2989025 -1.6606293 0.4510628 -0.5517317 0.4999841 -2.3636879 49 O -1.7527832 -0.4379767 0.6888948 -0.3885980 -1.5824108 0.6513136 0.6926130 0.7255188 -2.5338264 50 O -1.2490766 -0.0000000 0.0747756 0.0000000 -3.2556338 -0.0000000 0.1433449 -0.0000000 -1.2652724 51 O -1.2490766 -0.0000000 0.0747756 0.0000000 -3.2556338 -0.0000000 0.1433449 -0.0000000 -1.2652724 52 O -1.7527832 0.4379767 0.6888948 0.3885980 -1.5824108 -0.6513136 0.6926130 -0.7255188 -2.5338264 ---------------------------------------------------------------------------- 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[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 51, 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[ 55, 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[ 81, 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) 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 13:35:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:35:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.362345860000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.090598430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.357181320000000 Atomic positions (fractional): 1 Na 0.34593135883871 0.40681861302279 0.02014118797429 22.990 2 Na 0.65406864116129 0.90681861302279 0.97985881202571 22.990 3 Na 0.15406864116129 0.59318138697721 0.52014118797429 22.990 4 Na 0.98048726402850 0.75000000000000 0.98384478250964 22.990 5 Na 0.84593135883871 0.09318138697721 0.47985881202571 22.990 6 Na 0.51951273597150 0.25000000000000 0.48384478250964 22.990 7 Na 0.34593135883871 0.09318138697721 0.02014118797429 22.990 8 Na 0.15406864116129 0.90681861302279 0.52014118797429 22.990 9 Na 0.84593135883871 0.40681861302279 0.47985881202571 22.990 10 Na 0.48048726402850 0.75000000000000 0.51615521749036 22.990 11 Na 0.65406864116129 0.59318138697721 0.97985881202571 22.990 12 Na 0.01951273597150 0.25000000000000 0.01615521749036 22.990 13 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 14 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 15 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 16 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 17 Si 0.17595215685752 0.13134523983102 0.51307891453031 28.085 18 Si 0.32404784314248 0.63134523983102 0.01307891453031 28.085 19 Si 0.17595215685752 0.36865476016898 0.51307891453031 28.085 20 Si 0.82404784314248 0.86865476016898 0.48692108546969 28.085 21 Si 0.82404784314248 0.63134523983102 0.48692108546969 28.085 22 Si 0.67595215685752 0.13134523983102 0.98692108546969 28.085 23 Si 0.32404784314248 0.86865476016898 0.01307891453031 28.085 24 Si 0.67595215685752 0.36865476016898 0.98692108546969 28.085 25 O 0.34741139448576 0.11992133818244 0.47181106030997 15.999 26 O 0.08988380202772 0.44157654696135 0.31893099554331 15.999 27 O 0.91011619797228 0.55842345303865 0.68106900445669 15.999 28 O 0.87079440011404 0.60709035398152 0.19968254135296 15.999 29 O 0.08988380202772 0.05842345303865 0.31893099554331 15.999 30 O 0.34741139448576 0.38007866181756 0.47181106030997 15.999 31 O 0.37079440011404 0.60709035398152 0.30031745864704 15.999 32 O 0.58988380202772 0.44157654696135 0.18106900445669 15.999 33 O 0.15258860551424 0.61992133818244 0.97181106030997 15.999 34 O 0.65258860551424 0.61992133818244 0.52818893969003 15.999 35 O 0.84741139448576 0.38007866181756 0.02818893969003 15.999 36 O 0.84741139448576 0.11992133818244 0.02818893969003 15.999 37 O 0.58988380202772 0.05842345303865 0.18106900445669 15.999 38 O 0.12920559988596 0.39290964601848 0.80031745864704 15.999 39 O 0.12920559988596 0.10709035398152 0.80031745864704 15.999 40 O 0.37079440011404 0.89290964601848 0.30031745864704 15.999 41 O 0.87648730965127 0.75000000000000 0.56037761315275 15.999 42 O 0.65258860551424 0.88007866181756 0.52818893969003 15.999 43 O 0.12351269034873 0.25000000000000 0.43962238684725 15.999 44 O 0.15258860551424 0.88007866181756 0.97181106030997 15.999 45 O 0.87079440011404 0.89290964601848 0.19968254135296 15.999 46 O 0.91011619797228 0.94157654696135 0.68106900445669 15.999 47 O 0.62920559988596 0.10709035398152 0.69968254135296 15.999 48 O 0.62920559988596 0.39290964601848 0.69968254135296 15.999 49 O 0.41011619797228 0.94157654696135 0.81893099554331 15.999 50 O 0.37648730965127 0.75000000000000 0.93962238684725 15.999 51 O 0.62351269034873 0.25000000000000 0.06037761315275 15.999 52 O 0.41011619797228 0.55842345303865 0.81893099554331 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.362345860000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.090598430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.714362639999999 Atomic positions (fractional): 1 Na 0.34593135883871 0.40681861302279 0.01007059398715 22.990 > 1 2 Na 0.34593135883871 0.40681861302279 0.51007059398715 22.990 > 1 3 Na 0.65406864116129 0.90681861302279 0.48992940601286 22.990 > 3 4 Na 0.65406864116129 0.90681861302279 0.98992940601285 22.990 > 3 5 Na 0.15406864116129 0.59318138697721 0.26007059398714 22.990 > 5 6 Na 0.15406864116129 0.59318138697721 0.76007059398715 22.990 > 5 7 Na 0.98048726402850 0.75000000000000 0.49192239125482 22.990 > 7 8 Na 0.98048726402850 0.75000000000000 0.99192239125482 22.990 > 7 9 Na 0.84593135883871 0.09318138697721 0.23992940601286 22.990 > 9 10 Na 0.84593135883871 0.09318138697721 0.73992940601285 22.990 > 9 11 Na 0.51951273597150 0.25000000000000 0.24192239125482 22.990 > 11 12 Na 0.51951273597150 0.25000000000000 0.74192239125482 22.990 > 11 13 Na 0.34593135883871 0.09318138697721 0.01007059398715 22.990 > 13 14 Na 0.34593135883871 0.09318138697721 0.51007059398715 22.990 > 13 15 Na 0.15406864116129 0.90681861302279 0.26007059398714 22.990 > 15 16 Na 0.15406864116129 0.90681861302279 0.76007059398715 22.990 > 15 17 Na 0.84593135883871 0.40681861302279 0.23992940601286 22.990 > 17 18 Na 0.84593135883871 0.40681861302279 0.73992940601285 22.990 > 17 19 Na 0.48048726402850 0.75000000000000 0.25807760874518 22.990 > 19 20 Na 0.48048726402850 0.75000000000000 0.75807760874518 22.990 > 19 21 Na 0.65406864116129 0.59318138697721 0.48992940601286 22.990 > 21 22 Na 0.65406864116129 0.59318138697721 0.98992940601285 22.990 > 21 23 Na 0.01951273597150 0.25000000000000 0.00807760874518 22.990 > 23 24 Na 0.01951273597150 0.25000000000000 0.50807760874518 22.990 > 23 25 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 25 26 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 25 27 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 27 28 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 27 29 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 29 30 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 29 31 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 31 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 31 33 Si 0.17595215685752 0.13134523983102 0.25653945726515 28.085 > 33 34 Si 0.17595215685752 0.13134523983102 0.75653945726515 28.085 > 33 35 Si 0.32404784314248 0.63134523983102 0.00653945726515 28.085 > 35 36 Si 0.32404784314248 0.63134523983102 0.50653945726515 28.085 > 35 37 Si 0.17595215685752 0.36865476016898 0.25653945726515 28.085 > 37 38 Si 0.17595215685752 0.36865476016898 0.75653945726515 28.085 > 37 39 Si 0.82404784314248 0.86865476016898 0.24346054273485 28.085 > 39 40 Si 0.82404784314248 0.86865476016898 0.74346054273485 28.085 > 39 41 Si 0.82404784314248 0.63134523983102 0.24346054273485 28.085 > 41 42 Si 0.82404784314248 0.63134523983102 0.74346054273485 28.085 > 41 43 Si 0.67595215685752 0.13134523983102 0.49346054273485 28.085 > 43 44 Si 0.67595215685752 0.13134523983102 0.99346054273485 28.085 > 43 45 Si 0.32404784314248 0.86865476016898 0.00653945726515 28.085 > 45 46 Si 0.32404784314248 0.86865476016898 0.50653945726515 28.085 > 45 47 Si 0.67595215685752 0.36865476016898 0.49346054273485 28.085 > 47 48 Si 0.67595215685752 0.36865476016898 0.99346054273485 28.085 > 47 49 O 0.34741139448576 0.11992133818244 0.23590553015498 15.999 > 49 50 O 0.34741139448576 0.11992133818244 0.73590553015499 15.999 > 49 51 O 0.08988380202772 0.44157654696135 0.15946549777165 15.999 > 51 52 O 0.08988380202772 0.44157654696135 0.65946549777165 15.999 > 51 53 O 0.91011619797228 0.55842345303865 0.34053450222835 15.999 > 53 54 O 0.91011619797228 0.55842345303865 0.84053450222835 15.999 > 53 55 O 0.87079440011404 0.60709035398152 0.09984127067648 15.999 > 55 56 O 0.87079440011404 0.60709035398152 0.59984127067648 15.999 > 55 57 O 0.08988380202772 0.05842345303865 0.15946549777165 15.999 > 57 58 O 0.08988380202772 0.05842345303865 0.65946549777165 15.999 > 57 59 O 0.34741139448576 0.38007866181756 0.23590553015498 15.999 > 59 60 O 0.34741139448576 0.38007866181756 0.73590553015499 15.999 > 59 61 O 0.37079440011404 0.60709035398152 0.15015872932352 15.999 > 61 62 O 0.37079440011404 0.60709035398152 0.65015872932352 15.999 > 61 63 O 0.58988380202772 0.44157654696135 0.09053450222835 15.999 > 63 64 O 0.58988380202772 0.44157654696135 0.59053450222835 15.999 > 63 65 O 0.15258860551424 0.61992133818244 0.48590553015498 15.999 > 65 66 O 0.15258860551424 0.61992133818244 0.98590553015499 15.999 > 65 67 O 0.65258860551424 0.61992133818244 0.26409446984502 15.999 > 67 68 O 0.65258860551424 0.61992133818244 0.76409446984501 15.999 > 67 69 O 0.84741139448576 0.38007866181756 0.01409446984502 15.999 > 69 70 O 0.84741139448576 0.38007866181756 0.51409446984501 15.999 > 69 71 O 0.84741139448576 0.11992133818244 0.01409446984502 15.999 > 71 72 O 0.84741139448576 0.11992133818244 0.51409446984501 15.999 > 71 73 O 0.58988380202772 0.05842345303865 0.09053450222835 15.999 > 73 74 O 0.58988380202772 0.05842345303865 0.59053450222835 15.999 > 73 75 O 0.12920559988596 0.39290964601848 0.40015872932352 15.999 > 75 76 O 0.12920559988596 0.39290964601848 0.90015872932352 15.999 > 75 77 O 0.12920559988596 0.10709035398152 0.40015872932352 15.999 > 77 78 O 0.12920559988596 0.10709035398152 0.90015872932352 15.999 > 77 79 O 0.37079440011404 0.89290964601848 0.15015872932352 15.999 > 79 80 O 0.37079440011404 0.89290964601848 0.65015872932352 15.999 > 79 81 O 0.87648730965127 0.75000000000000 0.28018880657638 15.999 > 81 82 O 0.87648730965127 0.75000000000000 0.78018880657638 15.999 > 81 83 O 0.65258860551424 0.88007866181756 0.26409446984502 15.999 > 83 84 O 0.65258860551424 0.88007866181756 0.76409446984501 15.999 > 83 85 O 0.12351269034873 0.25000000000000 0.21981119342362 15.999 > 85 86 O 0.12351269034873 0.25000000000000 0.71981119342362 15.999 > 85 87 O 0.15258860551424 0.88007866181756 0.48590553015498 15.999 > 87 88 O 0.15258860551424 0.88007866181756 0.98590553015499 15.999 > 87 89 O 0.87079440011404 0.89290964601848 0.09984127067648 15.999 > 89 90 O 0.87079440011404 0.89290964601848 0.59984127067648 15.999 > 89 91 O 0.91011619797228 0.94157654696135 0.34053450222835 15.999 > 91 92 O 0.91011619797228 0.94157654696135 0.84053450222835 15.999 > 91 93 O 0.62920559988596 0.10709035398152 0.34984127067648 15.999 > 93 94 O 0.62920559988596 0.10709035398152 0.84984127067648 15.999 > 93 95 O 0.62920559988596 0.39290964601848 0.34984127067648 15.999 > 95 96 O 0.62920559988596 0.39290964601848 0.84984127067648 15.999 > 95 97 O 0.41011619797228 0.94157654696135 0.40946549777165 15.999 > 97 98 O 0.41011619797228 0.94157654696135 0.90946549777165 15.999 > 97 99 O 0.37648730965127 0.75000000000000 0.46981119342362 15.999 > 99 100 O 0.37648730965127 0.75000000000000 0.96981119342362 15.999 > 99 101 O 0.62351269034873 0.25000000000000 0.03018880657638 15.999 > 101 102 O 0.62351269034873 0.25000000000000 0.53018880657638 15.999 > 101 103 O 0.41011619797228 0.55842345303865 0.40946549777165 15.999 > 103 104 O 0.41011619797228 0.55842345303865 0.90946549777165 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8866407 0.0000000 0.0000000 0.0000000 2.8436261 0.0000000 0.0000000 0.0000000 2.9261917 -------------------------- Born effective charges -------------------------- 1 Na 1.1449399 0.0251617 0.0099141 -0.0142953 0.9212640 -0.0124629 0.0409658 -0.0281539 1.1466876 2 Na 1.1449399 -0.0251617 0.0099141 0.0142953 0.9212640 0.0124629 0.0409658 0.0281539 1.1466876 3 Na 1.1449399 0.0251617 -0.0099141 -0.0142953 0.9212640 0.0124629 -0.0409658 0.0281539 1.1466876 4 Na 0.9467914 -0.0000000 0.0156550 0.0000000 1.2809348 -0.0000000 -0.0137889 -0.0000000 1.0003282 5 Na 1.1449399 -0.0251617 -0.0099141 0.0142953 0.9212640 -0.0124629 -0.0409658 -0.0281539 1.1466876 6 Na 0.9467914 -0.0000000 -0.0156550 0.0000000 1.2809348 -0.0000000 0.0137889 -0.0000000 1.0003282 7 Na 1.1449399 -0.0251617 0.0099141 0.0142953 0.9212640 0.0124629 0.0409658 0.0281539 1.1466876 8 Na 1.1449399 -0.0251617 -0.0099141 0.0142953 0.9212640 -0.0124629 -0.0409658 -0.0281539 1.1466876 9 Na 1.1449399 0.0251617 -0.0099141 -0.0142953 0.9212640 0.0124629 -0.0409658 0.0281539 1.1466876 10 Na 0.9467914 -0.0000000 -0.0156550 0.0000000 1.2809348 -0.0000000 0.0137889 -0.0000000 1.0003282 11 Na 1.1449399 0.0251617 0.0099141 -0.0142953 0.9212640 -0.0124629 0.0409658 -0.0281539 1.1466876 12 Na 0.9467914 -0.0000000 0.0156550 0.0000000 1.2809348 -0.0000000 -0.0137889 -0.0000000 1.0003282 13 Sc 3.9445663 -0.2003706 -0.3013849 0.2258048 3.4933992 -0.3716847 0.0639190 0.1281963 4.1425687 14 Sc 3.9445663 0.2003706 0.3013849 -0.2258048 3.4933992 -0.3716847 -0.0639190 0.1281963 4.1425687 15 Sc 3.9445663 -0.2003706 0.3013849 0.2258048 3.4933992 0.3716847 -0.0639190 -0.1281963 4.1425687 16 Sc 3.9445663 0.2003706 -0.3013849 -0.2258048 3.4933992 0.3716847 0.0639190 -0.1281963 4.1425687 17 Si 3.0941762 0.1890333 -0.1616731 -0.2692079 3.3042019 -0.2101756 0.1849155 0.2758016 3.1248489 18 Si 3.0941762 -0.1890333 0.1616731 0.2692079 3.3042019 -0.2101756 -0.1849155 0.2758016 3.1248489 19 Si 3.0941762 -0.1890333 -0.1616731 0.2692079 3.3042019 0.2101756 0.1849155 -0.2758016 3.1248489 20 Si 3.0941762 0.1890333 -0.1616731 -0.2692079 3.3042019 -0.2101756 0.1849155 0.2758016 3.1248489 21 Si 3.0941762 -0.1890333 -0.1616731 0.2692079 3.3042019 0.2101756 0.1849155 -0.2758016 3.1248489 22 Si 3.0941762 0.1890333 0.1616731 -0.2692079 3.3042019 0.2101756 -0.1849155 -0.2758016 3.1248489 23 Si 3.0941762 0.1890333 0.1616731 -0.2692079 3.3042019 0.2101756 -0.1849155 -0.2758016 3.1248489 24 Si 3.0941762 -0.1890333 0.1616731 0.2692079 3.3042019 -0.2101756 -0.1849155 0.2758016 3.1248489 25 O -2.6477871 0.6222451 0.1125217 0.5215050 -1.7417760 0.0549971 -0.0278819 -0.0362540 -1.3128346 26 O -1.7527832 0.4379767 -0.6888948 0.3885980 -1.5824108 0.6513136 -0.6926130 0.7255188 -2.5338264 27 O -1.7527832 0.4379767 -0.6888948 0.3885980 -1.5824108 0.6513136 -0.6926130 0.7255188 -2.5338264 28 O -1.6596863 0.3707720 0.5272586 0.2989025 -1.6606293 -0.4510628 0.5517317 -0.4999841 -2.3636879 29 O -1.7527832 -0.4379767 -0.6888948 -0.3885980 -1.5824108 -0.6513136 -0.6926130 -0.7255188 -2.5338264 30 O -2.6477871 -0.6222451 0.1125217 -0.5215050 -1.7417760 -0.0549971 -0.0278819 0.0362540 -1.3128346 31 O -1.6596863 0.3707720 -0.5272586 0.2989025 -1.6606293 0.4510628 -0.5517317 0.4999841 -2.3636879 32 O -1.7527832 0.4379767 0.6888948 0.3885980 -1.5824108 -0.6513136 0.6926130 -0.7255188 -2.5338264 33 O -2.6477871 -0.6222451 -0.1125217 -0.5215050 -1.7417760 0.0549971 0.0278819 -0.0362540 -1.3128346 34 O -2.6477871 -0.6222451 0.1125217 -0.5215050 -1.7417760 -0.0549971 -0.0278819 0.0362540 -1.3128346 35 O -2.6477871 -0.6222451 -0.1125217 -0.5215050 -1.7417760 0.0549971 0.0278819 -0.0362540 -1.3128346 36 O -2.6477871 0.6222451 -0.1125217 0.5215050 -1.7417760 -0.0549971 0.0278819 0.0362540 -1.3128346 37 O -1.7527832 -0.4379767 0.6888948 -0.3885980 -1.5824108 0.6513136 0.6926130 0.7255188 -2.5338264 38 O -1.6596863 0.3707720 0.5272586 0.2989025 -1.6606293 -0.4510628 0.5517317 -0.4999841 -2.3636879 39 O -1.6596863 -0.3707720 0.5272586 -0.2989025 -1.6606293 0.4510628 0.5517317 0.4999841 -2.3636879 40 O -1.6596863 -0.3707720 -0.5272586 -0.2989025 -1.6606293 -0.4510628 -0.5517317 -0.4999841 -2.3636879 41 O -1.2490766 -0.0000000 -0.0747756 0.0000000 -3.2556338 -0.0000000 -0.1433449 -0.0000000 -1.2652724 42 O -2.6477871 0.6222451 0.1125217 0.5215050 -1.7417760 0.0549971 -0.0278819 -0.0362540 -1.3128346 43 O -1.2490766 -0.0000000 -0.0747756 0.0000000 -3.2556338 -0.0000000 -0.1433449 -0.0000000 -1.2652724 44 O -2.6477871 0.6222451 -0.1125217 0.5215050 -1.7417760 -0.0549971 0.0278819 0.0362540 -1.3128346 45 O -1.6596863 -0.3707720 0.5272586 -0.2989025 -1.6606293 0.4510628 0.5517317 0.4999841 -2.3636879 46 O -1.7527832 -0.4379767 -0.6888948 -0.3885980 -1.5824108 -0.6513136 -0.6926130 -0.7255188 -2.5338264 47 O -1.6596863 -0.3707720 -0.5272586 -0.2989025 -1.6606293 -0.4510628 -0.5517317 -0.4999841 -2.3636879 48 O -1.6596863 0.3707720 -0.5272586 0.2989025 -1.6606293 0.4510628 -0.5517317 0.4999841 -2.3636879 49 O -1.7527832 -0.4379767 0.6888948 -0.3885980 -1.5824108 0.6513136 0.6926130 0.7255188 -2.5338264 50 O -1.2490766 -0.0000000 0.0747756 0.0000000 -3.2556338 -0.0000000 0.1433449 -0.0000000 -1.2652724 51 O -1.2490766 -0.0000000 0.0747756 0.0000000 -3.2556338 -0.0000000 0.1433449 -0.0000000 -1.2652724 52 O -1.7527832 0.4379767 0.6888948 0.3885980 -1.5824108 -0.6513136 0.6926130 -0.7255188 -2.5338264 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (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 ... [ 5 4 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: 0.48, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -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 1.599 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.516 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.151 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.888 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 9.898 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 10.627 ( 0.000 0.000 0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 10.790 ( 0.000 0.000 0.000) 0.000 10.845 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 11.328 ( 0.000 0.000 0.000) 0.000 11.436 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 12.679 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.342 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 13.784 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 14.024 ( 0.000 0.000 0.000) 0.000 14.108 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.831 ( 0.000 0.000 0.000) 0.000 14.863 ( 0.000 0.000 0.000) 0.000 14.931 ( 0.000 0.000 0.000) 0.000 14.966 ( 0.000 0.000 0.000) 0.000 15.070 ( 0.000 0.000 0.000) 0.000 15.182 ( 0.000 0.000 0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 15.356 ( 0.000 0.000 0.000) 0.000 15.416 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.540 ( 0.000 0.000 0.000) 0.000 16.655 ( 0.000 0.000 0.000) 0.000 16.678 ( 0.000 0.000 0.000) 0.000 19.513 ( 0.000 0.000 0.000) 0.000 19.583 ( 0.000 0.000 0.000) 0.000 19.773 ( 0.000 0.000 0.000) 0.000 20.017 ( 0.000 0.000 0.000) 0.000 25.386 ( 0.000 0.000 0.000) 0.000 25.665 ( 0.000 0.000 0.000) 0.000 25.780 ( 0.000 0.000 0.000) 0.000 26.751 ( 0.000 0.000 0.000) 0.000 27.015 ( 0.000 0.000 0.000) 0.000 27.140 ( 0.000 0.000 0.000) 0.000 27.153 ( 0.000 0.000 0.000) 0.000 27.154 ( 0.000 0.000 0.000) 0.000 27.264 ( 0.000 0.000 0.000) 0.000 27.310 ( 0.000 0.000 0.000) 0.000 27.452 ( 0.000 0.000 0.000) 0.000 27.474 ( 0.000 0.000 0.000) 0.000 27.551 ( 0.000 0.000 0.000) 0.000 27.573 ( 0.000 0.000 0.000) 0.000 27.688 ( 0.000 0.000 0.000) 0.000 28.054 ( 0.000 0.000 0.000) 0.000 28.073 ( 0.000 0.000 0.000) 0.000 28.126 ( 0.000 0.000 0.000) 0.000 28.142 ( 0.000 0.000 0.000) 0.000 28.435 ( 0.000 0.000 0.000) 0.000 28.496 ( 0.000 0.000 0.000) 0.000 28.651 ( 0.000 0.000 0.000) 0.000 28.684 ( 0.000 0.000 0.000) 0.000 28.751 ( 0.000 0.000 0.000) 0.000 28.785 ( 0.000 0.000 0.000) 0.000 30.369 ( 0.000 0.000 0.000) 0.000 30.893 ( 0.000 0.000 0.000) 0.000 31.396 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.714 ( 33.220 0.000 0.000) 33.220 0.938 ( 40.345 0.000 0.000) 40.345 1.440 ( 66.710 0.000 0.000) 66.710 1.807 ( 15.877 0.000 0.000) 15.877 2.110 ( 26.639 0.000 0.000) 26.639 2.286 ( 22.070 0.000 0.000) 22.070 2.445 ( 19.078 0.000 0.000) 19.078 2.579 ( -1.254 0.000 0.000) 1.254 2.839 ( -16.568 0.000 0.000) 16.568 2.873 ( 22.034 0.000 0.000) 22.034 2.973 ( -0.510 0.000 0.000) 0.510 3.069 ( -20.183 0.000 0.000) 20.183 3.213 ( -9.178 0.000 0.000) 9.178 3.280 ( 5.473 0.000 0.000) 5.473 3.504 ( -9.143 0.000 0.000) 9.143 3.585 ( -4.700 0.000 0.000) 4.700 3.600 ( 1.594 0.000 0.000) 1.594 3.757 ( 10.526 0.000 0.000) 10.526 3.802 ( 4.226 0.000 0.000) 4.226 3.862 ( 14.101 0.000 0.000) 14.101 3.902 ( 10.801 0.000 0.000) 10.801 4.040 ( 2.929 0.000 0.000) 2.929 4.110 ( 8.592 0.000 0.000) 8.592 4.159 ( 0.174 0.000 0.000) 0.174 4.383 ( -2.779 0.000 0.000) 2.779 4.503 ( -2.307 0.000 0.000) 2.307 4.503 ( -1.644 0.000 0.000) 1.644 4.517 ( 2.040 0.000 0.000) 2.040 4.636 ( 1.687 0.000 0.000) 1.687 4.639 ( -2.913 0.000 0.000) 2.913 4.649 ( 4.566 0.000 0.000) 4.566 4.872 ( 2.846 0.000 0.000) 2.846 5.039 ( -12.399 0.000 0.000) 12.399 5.142 ( -7.469 0.000 0.000) 7.469 5.294 ( -2.261 0.000 0.000) 2.261 5.330 ( -11.329 0.000 0.000) 11.329 5.381 ( 2.569 0.000 0.000) 2.569 5.456 ( 9.408 0.000 0.000) 9.408 5.468 ( -2.993 0.000 0.000) 2.993 5.477 ( -2.367 0.000 0.000) 2.367 5.533 ( 3.375 0.000 0.000) 3.375 5.569 ( -0.662 0.000 0.000) 0.662 5.589 ( -13.260 0.000 0.000) 13.260 5.715 ( -13.055 0.000 0.000) 13.055 5.916 ( 4.954 0.000 0.000) 4.954 5.926 ( -14.079 0.000 0.000) 14.079 5.982 ( -14.206 0.000 0.000) 14.206 6.089 ( -1.614 0.000 0.000) 1.614 6.089 ( 7.514 0.000 0.000) 7.514 6.122 ( -14.365 0.000 0.000) 14.365 6.258 ( 2.118 0.000 0.000) 2.118 6.349 ( 5.108 0.000 0.000) 5.108 6.354 ( -7.855 0.000 0.000) 7.855 6.389 ( 1.746 0.000 0.000) 1.746 6.520 ( -2.961 0.000 0.000) 2.961 6.524 ( 0.875 0.000 0.000) 0.875 6.552 ( 6.752 0.000 0.000) 6.752 6.559 ( -7.013 0.000 0.000) 7.013 6.610 ( -1.004 0.000 0.000) 1.004 6.611 ( 1.665 0.000 0.000) 1.665 6.692 ( -16.006 0.000 0.000) 16.006 6.713 ( -4.507 0.000 0.000) 4.507 6.907 ( -4.978 0.000 0.000) 4.978 7.148 ( -5.122 0.000 0.000) 5.122 7.231 ( -9.726 0.000 0.000) 9.726 7.271 ( -12.666 0.000 0.000) 12.666 7.287 ( -9.749 0.000 0.000) 9.749 7.314 ( -12.025 0.000 0.000) 12.025 7.798 ( 19.461 0.000 0.000) 19.461 8.089 ( 4.177 0.000 0.000) 4.177 8.133 ( 15.374 0.000 0.000) 15.374 8.202 ( -0.653 0.000 0.000) 0.653 8.452 ( 3.285 0.000 0.000) 3.285 8.487 ( -0.398 0.000 0.000) 0.398 8.510 ( 9.547 0.000 0.000) 9.547 8.535 ( 0.934 0.000 0.000) 0.934 8.615 ( -2.308 0.000 0.000) 2.308 8.653 ( 1.833 0.000 0.000) 1.833 8.967 ( 5.487 0.000 0.000) 5.487 9.078 ( 2.560 0.000 0.000) 2.560 9.110 ( -1.326 0.000 0.000) 1.326 9.334 ( -1.675 0.000 0.000) 1.675 9.545 ( 8.810 0.000 0.000) 8.810 9.868 ( -2.120 0.000 0.000) 2.120 9.977 ( 0.587 0.000 0.000) 0.587 10.168 ( -0.628 0.000 0.000) 0.628 10.266 ( 0.681 0.000 0.000) 0.681 10.319 ( 16.256 0.000 0.000) 16.256 10.380 ( 14.787 0.000 0.000) 14.787 10.491 ( 0.891 0.000 0.000) 0.891 10.571 ( -10.106 0.000 0.000) 10.106 10.665 ( 3.454 0.000 0.000) 3.454 10.673 ( -0.285 0.000 0.000) 0.285 10.964 ( 0.427 0.000 0.000) 0.427 10.965 ( 4.277 0.000 0.000) 4.277 11.343 ( 1.940 0.000 0.000) 1.940 11.360 ( -6.852 0.000 0.000) 6.852 11.438 ( 10.713 0.000 0.000) 10.713 11.772 ( -5.008 0.000 0.000) 5.008 12.395 ( -7.137 0.000 0.000) 7.137 12.462 ( -5.567 0.000 0.000) 5.567 12.736 ( 3.523 0.000 0.000) 3.523 12.840 ( -2.355 0.000 0.000) 2.355 13.203 ( 2.675 0.000 0.000) 2.675 13.349 ( -26.517 0.000 0.000) 26.517 13.351 ( 0.341 0.000 0.000) 0.341 13.704 ( -5.101 0.000 0.000) 5.101 13.797 ( -3.385 0.000 0.000) 3.385 14.028 ( 0.981 0.000 0.000) 0.981 14.112 ( 0.170 0.000 0.000) 0.170 14.400 ( 9.908 0.000 0.000) 9.908 14.769 ( -4.108 0.000 0.000) 4.108 14.865 ( -0.190 0.000 0.000) 0.190 14.925 ( -3.352 0.000 0.000) 3.352 14.983 ( 4.267 0.000 0.000) 4.267 15.106 ( 3.137 0.000 0.000) 3.137 15.247 ( 4.717 0.000 0.000) 4.717 15.291 ( -2.804 0.000 0.000) 2.804 15.342 ( -1.581 0.000 0.000) 1.581 15.417 ( -0.096 0.000 0.000) 0.096 16.321 ( 6.633 0.000 0.000) 6.633 16.537 ( -0.358 0.000 0.000) 0.358 16.642 ( -0.891 0.000 0.000) 0.891 16.676 ( -0.332 0.000 0.000) 0.332 19.504 ( -0.672 0.000 0.000) 0.672 19.621 ( -5.786 0.000 0.000) 5.786 19.870 ( 4.484 0.000 0.000) 4.484 20.014 ( -0.371 0.000 0.000) 0.371 25.428 ( 3.960 0.000 0.000) 3.960 25.687 ( 2.127 0.000 0.000) 2.127 25.756 ( -2.230 0.000 0.000) 2.230 26.418 ( -22.208 0.000 0.000) 22.208 27.033 ( 1.576 0.000 0.000) 1.576 27.144 ( -1.342 0.000 0.000) 1.342 27.158 ( 0.430 0.000 0.000) 0.430 27.179 ( 0.506 0.000 0.000) 0.506 27.257 ( -0.532 0.000 0.000) 0.532 27.304 ( -1.041 0.000 0.000) 1.041 27.479 ( 0.423 0.000 0.000) 0.423 27.488 ( 1.578 0.000 0.000) 1.578 27.628 ( 5.278 0.000 0.000) 5.278 27.712 ( 2.583 0.000 0.000) 2.583 28.021 ( -3.659 0.000 0.000) 3.659 28.024 ( -4.310 0.000 0.000) 4.310 28.170 ( 3.655 0.000 0.000) 3.655 28.369 ( 17.772 0.000 0.000) 17.772 28.491 ( 4.429 0.000 0.000) 4.429 28.521 ( 2.129 0.000 0.000) 2.129 28.584 ( -2.315 0.000 0.000) 2.315 28.618 ( 0.248 0.000 0.000) 0.248 28.749 ( 0.354 0.000 0.000) 0.354 28.821 ( 3.044 0.000 0.000) 3.044 30.337 ( -1.894 0.000 0.000) 1.894 30.801 ( -8.339 0.000 0.000) 8.339 31.125 ( 2.528 0.000 0.000) 2.528 31.368 ( -2.558 0.000 0.000) 2.558 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.436 ( 34.452 0.000 0.000) 34.452 1.708 ( 32.218 0.000 0.000) 32.218 2.098 ( -13.246 0.000 0.000) 13.246 2.314 ( -21.466 0.000 0.000) 21.466 2.326 ( 5.159 0.000 0.000) 5.159 2.701 ( 23.268 0.000 0.000) 23.268 2.712 ( 12.652 0.000 0.000) 12.652 2.768 ( -22.092 0.000 0.000) 22.092 2.853 ( 50.457 0.000 0.000) 50.457 2.863 ( -2.374 0.000 0.000) 2.374 2.902 ( 20.290 0.000 0.000) 20.290 3.048 ( -6.149 0.000 0.000) 6.149 3.246 ( -9.401 0.000 0.000) 9.401 3.302 ( 10.147 0.000 0.000) 10.147 3.538 ( 17.745 0.000 0.000) 17.745 3.553 ( 3.142 0.000 0.000) 3.142 3.688 ( 5.276 0.000 0.000) 5.276 3.971 ( 10.066 0.000 0.000) 10.066 4.004 ( 6.731 0.000 0.000) 6.731 4.047 ( -2.906 0.000 0.000) 2.906 4.066 ( -19.959 0.000 0.000) 19.959 4.117 ( -4.002 0.000 0.000) 4.002 4.182 ( 9.079 0.000 0.000) 9.079 4.192 ( 12.279 0.000 0.000) 12.279 4.318 ( 9.135 0.000 0.000) 9.135 4.401 ( -8.143 0.000 0.000) 8.143 4.410 ( -6.567 0.000 0.000) 6.567 4.500 ( -4.698 0.000 0.000) 4.698 4.532 ( -6.952 0.000 0.000) 6.952 4.579 ( -23.886 0.000 0.000) 23.886 4.717 ( 2.634 0.000 0.000) 2.634 4.849 ( -5.807 0.000 0.000) 5.807 4.921 ( 19.620 0.000 0.000) 19.620 4.963 ( -12.144 0.000 0.000) 12.144 4.967 ( -7.463 0.000 0.000) 7.463 5.246 ( 8.127 0.000 0.000) 8.127 5.369 ( 4.088 0.000 0.000) 4.088 5.409 ( -20.389 0.000 0.000) 20.389 5.503 ( -0.283 0.000 0.000) 0.283 5.509 ( 0.619 0.000 0.000) 0.619 5.537 ( -4.116 0.000 0.000) 4.116 5.541 ( 9.755 0.000 0.000) 9.755 5.558 ( -17.223 0.000 0.000) 17.223 5.657 ( 6.007 0.000 0.000) 6.007 5.681 ( -0.415 0.000 0.000) 0.415 5.707 ( 4.890 0.000 0.000) 4.890 5.832 ( -10.614 0.000 0.000) 10.614 5.871 ( -6.284 0.000 0.000) 6.284 5.912 ( -11.397 0.000 0.000) 11.397 5.974 ( -17.412 0.000 0.000) 17.412 6.320 ( 9.142 0.000 0.000) 9.142 6.365 ( 1.545 0.000 0.000) 1.545 6.367 ( -4.645 0.000 0.000) 4.645 6.427 ( 0.021 0.000 0.000) 0.021 6.438 ( -0.621 0.000 0.000) 0.621 6.465 ( -0.003 0.000 0.000) 0.003 6.495 ( -0.411 0.000 0.000) 0.411 6.553 ( 3.942 0.000 0.000) 3.942 6.557 ( -5.930 0.000 0.000) 5.930 6.661 ( -3.710 0.000 0.000) 3.710 6.732 ( 7.906 0.000 0.000) 7.906 6.773 ( 12.112 0.000 0.000) 12.112 6.815 ( -0.393 0.000 0.000) 0.393 7.000 ( -9.088 0.000 0.000) 9.088 7.030 ( -4.568 0.000 0.000) 4.568 7.049 ( -6.566 0.000 0.000) 6.566 7.073 ( -9.503 0.000 0.000) 9.503 7.093 ( -8.493 0.000 0.000) 8.493 7.997 ( 2.719 0.000 0.000) 2.719 8.081 ( -6.085 0.000 0.000) 6.085 8.437 ( 21.717 0.000 0.000) 21.717 8.438 ( 11.594 0.000 0.000) 11.594 8.516 ( 2.795 0.000 0.000) 2.795 8.548 ( 2.071 0.000 0.000) 2.071 8.558 ( -2.623 0.000 0.000) 2.623 8.559 ( 1.283 0.000 0.000) 1.283 8.607 ( -1.838 0.000 0.000) 1.838 8.724 ( -0.569 0.000 0.000) 0.569 9.054 ( 3.871 0.000 0.000) 3.871 9.103 ( 0.777 0.000 0.000) 0.777 9.115 ( 0.407 0.000 0.000) 0.407 9.216 ( -8.772 0.000 0.000) 8.772 9.723 ( 6.621 0.000 0.000) 6.621 9.820 ( -2.848 0.000 0.000) 2.848 10.033 ( 4.111 0.000 0.000) 4.111 10.123 ( -3.634 0.000 0.000) 3.634 10.261 ( -1.190 0.000 0.000) 1.190 10.277 ( -5.130 0.000 0.000) 5.130 10.540 ( 3.739 0.000 0.000) 3.739 10.628 ( -3.693 0.000 0.000) 3.693 10.741 ( 16.842 0.000 0.000) 16.842 10.768 ( 5.899 0.000 0.000) 5.899 10.822 ( 17.943 0.000 0.000) 17.943 10.902 ( -4.769 0.000 0.000) 4.769 10.992 ( -4.649 0.000 0.000) 4.649 11.155 ( -12.227 0.000 0.000) 12.227 11.425 ( 6.423 0.000 0.000) 6.423 11.592 ( -7.053 0.000 0.000) 7.053 11.830 ( 20.448 0.000 0.000) 20.448 12.208 ( -10.664 0.000 0.000) 10.664 12.376 ( -0.383 0.000 0.000) 0.383 12.625 ( -23.284 0.000 0.000) 23.284 12.803 ( 2.738 0.000 0.000) 2.738 12.875 ( -6.669 0.000 0.000) 6.669 13.272 ( 3.434 0.000 0.000) 3.434 13.334 ( -2.071 0.000 0.000) 2.071 13.647 ( 0.400 0.000 0.000) 0.400 13.707 ( -4.386 0.000 0.000) 4.386 14.065 ( 2.111 0.000 0.000) 2.111 14.103 ( -1.206 0.000 0.000) 1.206 14.598 ( 7.419 0.000 0.000) 7.419 14.697 ( -2.790 0.000 0.000) 2.790 14.849 ( -1.149 0.000 0.000) 1.149 14.855 ( -2.333 0.000 0.000) 2.333 15.090 ( 5.359 0.000 0.000) 5.359 15.179 ( 0.832 0.000 0.000) 0.832 15.221 ( -1.057 0.000 0.000) 1.057 15.289 ( -3.452 0.000 0.000) 3.452 15.342 ( 3.746 0.000 0.000) 3.746 15.400 ( -1.686 0.000 0.000) 1.686 16.456 ( 4.952 0.000 0.000) 4.952 16.520 ( -1.429 0.000 0.000) 1.429 16.634 ( 0.422 0.000 0.000) 0.422 16.658 ( -1.358 0.000 0.000) 1.358 19.495 ( 0.161 0.000 0.000) 0.161 19.525 ( -2.920 0.000 0.000) 2.920 19.950 ( 2.958 0.000 0.000) 2.958 19.996 ( -1.410 0.000 0.000) 1.410 25.550 ( 7.055 0.000 0.000) 7.055 25.684 ( -4.722 0.000 0.000) 4.722 25.766 ( 5.982 0.000 0.000) 5.982 25.993 ( -15.903 0.000 0.000) 15.903 27.075 ( 2.112 0.000 0.000) 2.112 27.114 ( -1.525 0.000 0.000) 1.525 27.168 ( 0.531 0.000 0.000) 0.531 27.178 ( -0.335 0.000 0.000) 0.335 27.250 ( 0.085 0.000 0.000) 0.085 27.269 ( -1.662 0.000 0.000) 1.662 27.491 ( 0.680 0.000 0.000) 0.680 27.502 ( -0.131 0.000 0.000) 0.131 27.755 ( 6.710 0.000 0.000) 6.710 27.799 ( 5.195 0.000 0.000) 5.195 27.903 ( -6.680 0.000 0.000) 6.680 27.917 ( -5.526 0.000 0.000) 5.526 28.292 ( 7.268 0.000 0.000) 7.268 28.457 ( -7.544 0.000 0.000) 7.544 28.574 ( 2.522 0.000 0.000) 2.522 28.589 ( 4.027 0.000 0.000) 4.027 28.602 ( 1.630 0.000 0.000) 1.630 28.640 ( -0.433 0.000 0.000) 0.433 28.833 ( 6.684 0.000 0.000) 6.684 28.885 ( 1.696 0.000 0.000) 1.696 30.361 ( 5.579 0.000 0.000) 5.579 30.568 ( -12.126 0.000 0.000) 12.126 31.199 ( 4.235 0.000 0.000) 4.235 31.293 ( -4.224 0.000 0.000) 4.224 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 30.726 0.000) 30.726 0.697 ( 0.000 35.585 0.000) 35.585 1.366 ( 0.000 68.587 0.000) 68.587 1.495 ( 0.000 -12.093 0.000) 12.093 1.836 ( 0.000 -19.512 0.000) 19.512 1.868 ( 0.000 7.991 0.000) 7.991 2.188 ( 0.000 -4.112 0.000) 4.112 2.582 ( 0.000 2.476 0.000) 2.476 2.602 ( 0.000 -0.070 0.000) 0.070 2.925 ( 0.000 -0.952 0.000) 0.952 3.033 ( 0.000 1.448 0.000) 1.448 3.213 ( 0.000 -0.045 0.000) 0.045 3.368 ( 0.000 -8.191 0.000) 8.191 3.404 ( 0.000 4.554 0.000) 4.554 3.440 ( 0.000 -3.673 0.000) 3.673 3.511 ( 0.000 -3.486 0.000) 3.486 3.517 ( 0.000 -8.140 0.000) 8.140 3.653 ( 0.000 8.349 0.000) 8.349 3.694 ( 0.000 2.896 0.000) 2.896 3.802 ( 0.000 5.567 0.000) 5.567 3.894 ( 0.000 -10.798 0.000) 10.798 3.945 ( 0.000 13.013 0.000) 13.013 4.152 ( 0.000 12.531 0.000) 12.531 4.159 ( 0.000 1.102 0.000) 1.102 4.203 ( 0.000 -31.191 0.000) 31.191 4.342 ( 0.000 -3.811 0.000) 3.811 4.459 ( 0.000 -7.757 0.000) 7.757 4.504 ( 0.000 -1.968 0.000) 1.968 4.538 ( 0.000 0.798 0.000) 0.798 4.650 ( 0.000 1.141 0.000) 1.141 4.665 ( 0.000 -0.449 0.000) 0.449 4.721 ( 0.000 -5.981 0.000) 5.981 5.112 ( 0.000 0.508 0.000) 0.508 5.186 ( 0.000 2.874 0.000) 2.874 5.336 ( 0.000 -3.483 0.000) 3.483 5.339 ( 0.000 1.536 0.000) 1.536 5.421 ( 0.000 -0.972 0.000) 0.972 5.449 ( 0.000 -0.497 0.000) 0.497 5.493 ( 0.000 -1.804 0.000) 1.804 5.515 ( 0.000 11.157 0.000) 11.157 5.556 ( 0.000 -6.611 0.000) 6.611 5.632 ( 0.000 -3.740 0.000) 3.740 5.639 ( 0.000 -6.096 0.000) 6.096 5.639 ( 0.000 6.465 0.000) 6.465 5.949 ( 0.000 0.971 0.000) 0.971 5.974 ( 0.000 -9.958 0.000) 9.958 6.025 ( 0.000 0.467 0.000) 0.467 6.028 ( 0.000 -8.711 0.000) 8.711 6.042 ( 0.000 5.804 0.000) 5.804 6.212 ( 0.000 -2.591 0.000) 2.591 6.232 ( 0.000 -2.715 0.000) 2.715 6.313 ( 0.000 0.740 0.000) 0.740 6.404 ( 0.000 4.383 0.000) 4.383 6.415 ( 0.000 0.657 0.000) 0.657 6.494 ( 0.000 -5.061 0.000) 5.061 6.573 ( 0.000 -2.846 0.000) 2.846 6.685 ( 0.000 7.253 0.000) 7.253 6.712 ( 0.000 25.255 0.000) 25.255 6.713 ( 0.000 -3.839 0.000) 3.839 6.719 ( 0.000 2.278 0.000) 2.278 6.921 ( 0.000 -3.347 0.000) 3.347 6.932 ( 0.000 2.304 0.000) 2.304 7.039 ( 0.000 -15.226 0.000) 15.226 7.145 ( 0.000 0.875 0.000) 0.875 7.180 ( 0.000 -2.413 0.000) 2.413 7.447 ( 0.000 -6.345 0.000) 6.345 7.464 ( 0.000 1.903 0.000) 1.903 7.479 ( 0.000 4.970 0.000) 4.970 7.840 ( 0.000 15.335 0.000) 15.335 7.948 ( 0.000 2.454 0.000) 2.454 8.134 ( 0.000 6.161 0.000) 6.161 8.212 ( 0.000 2.698 0.000) 2.698 8.304 ( 0.000 -0.740 0.000) 0.740 8.326 ( 0.000 -5.944 0.000) 5.944 8.528 ( 0.000 0.680 0.000) 0.680 8.600 ( 0.000 -3.598 0.000) 3.598 8.602 ( 0.000 6.940 0.000) 6.940 8.750 ( 0.000 7.111 0.000) 7.111 8.795 ( 0.000 3.167 0.000) 3.167 8.889 ( 0.000 -0.547 0.000) 0.547 8.964 ( 0.000 -7.849 0.000) 7.849 9.273 ( 0.000 -15.866 0.000) 15.866 9.370 ( 0.000 4.589 0.000) 4.589 9.651 ( 0.000 10.726 0.000) 10.726 9.827 ( 0.000 -14.585 0.000) 14.585 9.913 ( 0.000 2.989 0.000) 2.989 10.115 ( 0.000 -1.321 0.000) 1.321 10.172 ( 0.000 -7.227 0.000) 7.227 10.333 ( 0.000 11.845 0.000) 11.845 10.385 ( 0.000 6.140 0.000) 6.140 10.572 ( 0.000 -11.867 0.000) 11.867 10.680 ( 0.000 -1.448 0.000) 1.448 10.726 ( 0.000 -8.613 0.000) 8.613 10.742 ( 0.000 11.701 0.000) 11.701 10.972 ( 0.000 0.618 0.000) 0.618 11.291 ( 0.000 -6.343 0.000) 6.343 11.466 ( 0.000 3.709 0.000) 3.709 11.523 ( 0.000 7.162 0.000) 7.162 11.759 ( 0.000 -6.904 0.000) 6.904 11.955 ( 0.000 -7.416 0.000) 7.416 12.369 ( 0.000 -13.255 0.000) 13.255 12.471 ( 0.000 -7.037 0.000) 7.037 12.677 ( 0.000 19.199 0.000) 19.199 13.440 ( 0.000 -15.021 0.000) 15.021 13.684 ( 0.000 35.342 0.000) 35.342 13.892 ( 0.000 5.329 0.000) 5.329 13.893 ( 0.000 6.642 0.000) 6.642 13.918 ( 0.000 2.854 0.000) 2.854 14.090 ( 0.000 -1.821 0.000) 1.821 14.278 ( 0.000 2.392 0.000) 2.392 14.620 ( 0.000 -12.433 0.000) 12.433 14.805 ( 0.000 -11.007 0.000) 11.007 14.815 ( 0.000 -1.230 0.000) 1.230 14.873 ( 0.000 -10.831 0.000) 10.831 15.063 ( 0.000 7.966 0.000) 7.966 15.269 ( 0.000 4.536 0.000) 4.536 15.294 ( 0.000 -4.496 0.000) 4.496 15.330 ( 0.000 0.548 0.000) 0.548 15.478 ( 0.000 4.506 0.000) 4.506 15.689 ( 0.000 -5.894 0.000) 5.894 16.328 ( 0.000 7.978 0.000) 7.978 16.561 ( 0.000 2.010 0.000) 2.010 16.610 ( 0.000 -4.556 0.000) 4.556 16.658 ( 0.000 -2.031 0.000) 2.031 19.579 ( 0.000 6.735 0.000) 6.735 19.610 ( 0.000 2.748 0.000) 2.748 19.745 ( 0.000 -2.784 0.000) 2.784 19.936 ( 0.000 -7.915 0.000) 7.915 25.429 ( 0.000 4.266 0.000) 4.266 25.626 ( 0.000 -3.866 0.000) 3.866 26.478 ( 0.000 3.732 0.000) 3.732 26.691 ( 0.000 -5.454 0.000) 5.454 27.039 ( 0.000 2.374 0.000) 2.374 27.143 ( 0.000 -1.426 0.000) 1.426 27.180 ( 0.000 3.446 0.000) 3.446 27.279 ( 0.000 2.043 0.000) 2.043 27.294 ( 0.000 -1.706 0.000) 1.706 27.436 ( 0.000 -3.809 0.000) 3.809 27.460 ( 0.000 0.826 0.000) 0.826 27.517 ( 0.000 -2.012 0.000) 2.012 27.609 ( 0.000 2.286 0.000) 2.286 27.678 ( 0.000 -1.054 0.000) 1.054 28.025 ( 0.000 -2.518 0.000) 2.518 28.025 ( 0.000 -2.175 0.000) 2.175 28.129 ( 0.000 0.340 0.000) 0.340 28.147 ( 0.000 -0.413 0.000) 0.413 28.219 ( 0.000 5.501 0.000) 5.501 28.402 ( 0.000 -3.136 0.000) 3.136 28.562 ( 0.000 5.676 0.000) 5.676 28.656 ( 0.000 0.511 0.000) 0.511 28.679 ( 0.000 -0.439 0.000) 0.439 28.757 ( 0.000 -2.960 0.000) 2.960 30.376 ( 0.000 0.715 0.000) 0.715 30.411 ( 0.000 -0.723 0.000) 0.723 30.971 ( 0.000 7.659 0.000) 7.659 31.326 ( 0.000 -6.999 0.000) 6.999 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.128 ( 33.883 17.423 0.000) 38.100 1.328 ( 27.917 36.402 0.000) 45.874 1.741 ( 43.271 35.331 0.000) 55.863 1.764 ( 19.634 -7.409 0.000) 20.986 2.114 ( 22.270 3.153 0.000) 22.492 2.181 ( 28.625 -11.835 0.000) 30.975 2.391 ( 17.194 -5.481 0.000) 18.046 2.661 ( 3.499 7.316 0.000) 8.110 2.821 ( -10.921 -0.764 0.000) 10.947 2.858 ( 20.505 -1.728 0.000) 20.578 2.930 ( -5.292 -4.498 0.000) 6.945 3.167 ( -13.886 8.605 0.000) 16.336 3.206 ( -7.702 -5.828 0.000) 9.658 3.269 ( -7.184 3.967 0.000) 8.206 3.452 ( 0.624 -1.945 0.000) 2.043 3.503 ( 3.880 -8.927 0.000) 9.734 3.564 ( -5.216 -3.113 0.000) 6.074 3.666 ( 5.582 -0.750 0.000) 5.632 3.805 ( 8.040 2.164 0.000) 8.326 3.875 ( 4.446 -3.319 0.000) 5.548 3.956 ( 7.175 -12.182 0.000) 14.138 4.050 ( 6.287 10.258 0.000) 12.031 4.123 ( -0.020 4.119 0.000) 4.119 4.183 ( 2.856 2.907 0.000) 4.075 4.325 ( 6.770 -18.771 0.000) 19.955 4.380 ( 1.458 -1.217 0.000) 1.899 4.493 ( 2.252 -10.731 0.000) 10.964 4.508 ( 0.018 -2.060 0.000) 2.061 4.567 ( 4.075 4.850 0.000) 6.334 4.667 ( 2.860 0.461 0.000) 2.896 4.668 ( 0.492 0.945 0.000) 1.065 4.684 ( -3.477 -11.927 0.000) 12.423 5.029 ( -12.364 1.766 0.000) 12.490 5.059 ( -4.250 3.190 0.000) 5.314 5.318 ( -3.651 -0.176 0.000) 3.655 5.378 ( -10.856 2.140 0.000) 11.065 5.402 ( 1.151 -8.864 0.000) 8.938 5.445 ( -0.832 0.372 0.000) 0.912 5.477 ( 4.219 2.941 0.000) 5.143 5.517 ( -0.686 3.080 0.000) 3.155 5.532 ( 2.867 9.916 0.000) 10.322 5.579 ( -5.628 -0.893 0.000) 5.699 5.623 ( 1.302 2.115 0.000) 2.484 5.710 ( -8.498 0.987 0.000) 8.556 5.816 ( -4.731 -6.757 0.000) 8.249 5.837 ( -10.846 -5.213 0.000) 12.034 6.001 ( 1.390 -0.838 0.000) 1.623 6.011 ( 0.746 -7.465 0.000) 7.502 6.128 ( -6.461 2.773 0.000) 7.031 6.212 ( -3.385 0.638 0.000) 3.444 6.241 ( -4.589 -0.001 0.000) 4.589 6.299 ( -2.380 -1.883 0.000) 3.035 6.352 ( -3.906 -3.222 0.000) 5.063 6.357 ( 8.110 -5.933 0.000) 10.049 6.447 ( -12.669 -0.035 0.000) 12.669 6.470 ( -2.918 -14.433 0.000) 14.725 6.475 ( -12.117 0.732 0.000) 12.139 6.608 ( -7.546 3.545 0.000) 8.337 6.671 ( -13.013 4.482 0.000) 13.763 6.713 ( -1.336 1.389 0.000) 1.927 6.763 ( -2.090 16.122 0.000) 16.257 6.850 ( -1.483 -0.958 0.000) 1.765 6.917 ( -7.498 13.695 0.000) 15.613 7.098 ( -1.293 -11.047 0.000) 11.123 7.153 ( -2.645 -0.233 0.000) 2.655 7.309 ( -7.535 -1.833 0.000) 7.754 7.368 ( -6.104 5.883 0.000) 8.477 7.383 ( -9.131 7.194 0.000) 11.624 7.893 ( 7.541 7.316 0.000) 10.507 8.104 ( 9.751 1.033 0.000) 9.805 8.234 ( 10.528 7.325 0.000) 12.825 8.279 ( 1.305 6.857 0.000) 6.980 8.395 ( 5.498 -3.283 0.000) 6.404 8.476 ( 4.865 -1.321 0.000) 5.041 8.512 ( 3.447 0.234 0.000) 3.455 8.570 ( -0.891 -3.150 0.000) 3.274 8.613 ( 0.839 6.781 0.000) 6.833 8.767 ( 3.223 9.502 0.000) 10.034 8.970 ( 5.136 0.185 0.000) 5.140 8.985 ( 1.432 -8.815 0.000) 8.931 9.074 ( 5.451 -3.725 0.000) 6.602 9.364 ( 6.458 -14.187 0.000) 15.588 9.370 ( -1.417 4.595 0.000) 4.809 9.827 ( -0.378 -14.032 0.000) 14.038 9.896 ( -1.121 3.615 0.000) 3.784 9.901 ( 18.158 -20.114 0.000) 27.098 10.093 ( -6.536 -14.252 0.000) 15.679 10.186 ( 1.470 -8.029 0.000) 8.162 10.456 ( 9.895 8.608 0.000) 13.115 10.477 ( 12.380 7.537 0.000) 14.494 10.604 ( 7.142 9.780 0.000) 12.110 10.688 ( 1.546 2.181 0.000) 2.674 10.833 ( 6.895 12.401 0.000) 14.189 10.883 ( -1.908 5.483 0.000) 5.805 11.089 ( 13.583 -13.373 0.000) 19.061 11.385 ( 4.276 -4.969 0.000) 6.556 11.405 ( -0.461 2.364 0.000) 2.409 11.531 ( -1.389 10.339 0.000) 10.432 11.700 ( -5.260 -7.122 0.000) 8.853 12.035 ( 7.048 -25.400 0.000) 26.360 12.329 ( -3.294 -11.648 0.000) 12.105 12.447 ( -2.065 -11.190 0.000) 11.379 12.516 ( -13.342 13.928 0.000) 19.287 13.176 ( -23.676 -12.960 0.000) 26.991 13.727 ( 3.715 35.428 0.000) 35.622 13.791 ( -5.310 7.897 0.000) 9.516 13.866 ( -2.398 6.444 0.000) 6.876 13.970 ( 2.268 3.507 0.000) 4.177 14.097 ( 0.508 -1.698 0.000) 1.772 14.252 ( -6.197 9.293 0.000) 11.170 14.450 ( -8.637 1.450 0.000) 8.758 14.742 ( -5.233 -3.547 0.000) 6.322 14.806 ( -2.139 -4.411 0.000) 4.902 14.890 ( 3.739 -17.221 0.000) 17.622 15.010 ( -11.158 6.679 0.000) 13.005 15.162 ( -5.155 12.270 0.000) 13.309 15.293 ( -3.470 3.324 0.000) 4.805 15.321 ( 3.143 4.361 0.000) 5.376 15.348 ( 1.900 3.432 0.000) 3.923 15.483 ( 0.071 3.232 0.000) 3.232 16.374 ( 4.563 5.240 0.000) 6.948 16.554 ( -0.618 1.800 0.000) 1.903 16.602 ( -0.584 -4.105 0.000) 4.146 16.654 ( -0.490 -2.220 0.000) 2.273 19.566 ( -1.118 6.369 0.000) 6.466 19.617 ( -3.853 0.056 0.000) 3.854 19.742 ( 3.746 -7.784 0.000) 8.638 19.926 ( -0.956 -8.456 0.000) 8.510 25.472 ( 4.046 4.281 0.000) 5.890 25.655 ( 2.705 -3.285 0.000) 4.255 26.031 ( -18.181 16.995 0.000) 24.887 26.382 ( -21.209 -3.902 0.000) 21.565 27.052 ( 1.214 1.994 0.000) 2.334 27.150 ( 0.578 -1.418 0.000) 1.531 27.158 ( -1.576 1.769 0.000) 2.369 27.235 ( -2.872 0.466 0.000) 2.910 27.275 ( -0.239 2.491 0.000) 2.503 27.345 ( -2.776 6.285 0.000) 6.870 27.443 ( 0.673 -3.644 0.000) 3.705 27.484 ( 0.957 -0.537 0.000) 1.098 27.630 ( 4.552 0.523 0.000) 4.582 27.697 ( 2.152 -1.626 0.000) 2.697 27.980 ( -3.666 -2.569 0.000) 4.476 27.990 ( -3.490 -2.412 0.000) 4.243 28.248 ( 3.059 6.143 0.000) 6.862 28.395 ( 17.537 2.752 0.000) 17.752 28.456 ( 4.263 -3.496 0.000) 5.513 28.569 ( 8.300 -4.502 0.000) 9.442 28.584 ( 1.970 5.652 0.000) 5.985 28.612 ( -2.597 2.369 0.000) 3.516 28.718 ( 2.432 -2.551 0.000) 3.525 28.789 ( 2.764 -3.286 0.000) 4.294 30.369 ( 0.323 3.439 0.000) 3.454 30.777 ( 16.537 -22.037 0.000) 27.552 30.888 ( -7.592 8.526 0.000) 11.417 31.288 ( -3.529 -8.010 0.000) 8.753 ======================= Grid point 7 (6/45) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.814 ( 29.212 10.427 0.000) 31.017 1.828 ( 23.898 33.593 0.000) 41.226 2.194 ( 15.589 1.162 0.000) 15.632 2.403 ( -21.797 8.932 0.000) 23.556 2.438 ( -14.718 15.114 0.000) 21.096 2.651 ( 21.990 -2.764 0.000) 22.163 2.709 ( -2.553 -5.525 0.000) 6.086 2.746 ( 6.939 2.071 0.000) 7.241 2.785 ( 11.871 -3.253 0.000) 12.309 2.881 ( 24.439 -1.417 0.000) 24.480 3.004 ( 4.547 -4.133 0.000) 6.145 3.059 ( 4.559 11.821 0.000) 12.670 3.196 ( -2.643 -2.237 0.000) 3.462 3.214 ( 5.733 -9.640 0.000) 11.216 3.450 ( 1.977 -7.901 0.000) 8.144 3.576 ( 13.822 3.798 0.000) 14.334 3.646 ( 7.110 -8.400 0.000) 11.005 3.865 ( 3.841 -8.574 0.000) 9.395 3.911 ( 1.018 -7.849 0.000) 7.915 3.914 ( 3.331 -3.916 0.000) 5.141 4.048 ( -8.156 1.214 0.000) 8.246 4.056 ( -4.903 0.212 0.000) 4.907 4.200 ( 8.567 -4.686 0.000) 9.765 4.290 ( -0.951 -1.652 0.000) 1.906 4.320 ( 2.577 8.184 0.000) 8.580 4.410 ( 0.123 -1.809 0.000) 1.813 4.510 ( -10.808 -6.274 0.000) 12.497 4.529 ( 3.558 1.954 0.000) 4.059 4.549 ( -0.479 -3.178 0.000) 3.214 4.622 ( -20.246 7.028 0.000) 21.431 4.728 ( 6.948 7.578 0.000) 10.280 4.732 ( 2.174 -6.862 0.000) 7.198 4.851 ( 3.837 -2.063 0.000) 4.357 4.948 ( -5.861 5.778 0.000) 8.231 5.023 ( -0.012 2.851 0.000) 2.851 5.231 ( 0.472 -4.432 0.000) 4.457 5.338 ( -6.366 -8.083 0.000) 10.289 5.375 ( 2.925 -1.239 0.000) 3.177 5.414 ( -8.037 -4.308 0.000) 9.119 5.474 ( -16.892 -4.774 0.000) 17.554 5.546 ( -1.392 5.795 0.000) 5.960 5.594 ( -6.089 4.860 0.000) 7.791 5.630 ( 0.853 1.072 0.000) 1.370 5.646 ( 5.140 -4.828 0.000) 7.052 5.663 ( 3.581 0.119 0.000) 3.583 5.803 ( 4.069 4.696 0.000) 6.214 5.806 ( -11.013 7.967 0.000) 13.593 5.917 ( -9.081 5.655 0.000) 10.698 5.989 ( -6.438 1.753 0.000) 6.673 6.036 ( -14.764 6.554 0.000) 16.154 6.172 ( 1.623 -12.531 0.000) 12.636 6.195 ( -0.504 -6.636 0.000) 6.656 6.275 ( -3.499 -6.994 0.000) 7.820 6.309 ( -6.441 -7.908 0.000) 10.199 6.327 ( 3.917 -6.769 0.000) 7.821 6.382 ( -1.683 -11.940 0.000) 12.058 6.483 ( 0.501 -5.898 0.000) 5.920 6.520 ( 4.517 -8.275 0.000) 9.428 6.531 ( -2.741 -2.453 0.000) 3.678 6.637 ( -5.558 -0.199 0.000) 5.562 6.800 ( 3.872 14.090 0.000) 14.612 6.867 ( 1.488 4.289 0.000) 4.540 6.931 ( 6.231 10.107 0.000) 11.873 6.988 ( -5.056 -0.589 0.000) 5.090 7.064 ( -4.665 3.703 0.000) 5.956 7.154 ( -10.411 10.400 0.000) 14.715 7.231 ( -0.290 6.364 0.000) 6.371 7.268 ( -3.436 9.444 0.000) 10.050 8.027 ( 4.959 4.443 0.000) 6.658 8.158 ( -7.626 8.004 0.000) 11.055 8.380 ( 9.907 -7.552 0.000) 12.457 8.475 ( 11.655 5.206 0.000) 12.765 8.483 ( -2.752 -5.264 0.000) 5.940 8.572 ( 12.347 5.349 0.000) 13.456 8.602 ( 3.327 3.636 0.000) 4.929 8.630 ( 0.545 5.422 0.000) 5.449 8.634 ( -0.091 2.608 0.000) 2.610 8.811 ( -3.561 6.586 0.000) 7.487 8.995 ( -0.932 -5.511 0.000) 5.590 9.001 ( -0.160 -9.865 0.000) 9.866 9.119 ( 3.471 2.356 0.000) 4.195 9.267 ( -7.800 5.398 0.000) 9.486 9.565 ( 10.456 -14.585 0.000) 17.946 9.755 ( -6.628 -11.983 0.000) 13.694 9.905 ( 1.309 -1.527 0.000) 2.011 9.931 ( -2.355 -8.447 0.000) 8.769 10.215 ( 5.170 -17.095 0.000) 17.860 10.228 ( 1.891 -8.546 0.000) 8.753 10.609 ( 3.538 12.347 0.000) 12.844 10.628 ( 3.329 4.449 0.000) 5.557 10.746 ( 3.015 5.977 0.000) 6.694 10.800 ( -2.290 5.303 0.000) 5.776 10.934 ( 15.460 9.433 0.000) 18.111 11.045 ( 14.361 17.182 0.000) 22.393 11.217 ( -10.655 5.569 0.000) 12.023 11.326 ( 8.961 -5.316 0.000) 10.419 11.378 ( -12.627 14.387 0.000) 19.142 11.522 ( -7.830 -7.000 0.000) 10.503 11.754 ( 19.771 -9.397 0.000) 21.891 12.117 ( -6.886 -22.645 0.000) 23.668 12.269 ( -0.999 -10.794 0.000) 10.840 12.277 ( -2.721 -8.902 0.000) 9.308 12.401 ( -1.404 -16.979 0.000) 17.037 12.592 ( -24.347 -9.952 0.000) 26.303 13.736 ( 0.371 9.967 0.000) 9.974 13.783 ( -2.473 15.375 0.000) 15.572 13.840 ( 4.191 27.770 0.000) 28.085 13.953 ( -4.840 24.504 0.000) 24.978 14.102 ( -0.195 -0.562 0.000) 0.595 14.102 ( -1.745 7.381 0.000) 7.585 14.473 ( 5.712 -8.609 0.000) 10.331 14.613 ( -6.678 -7.849 0.000) 10.305 14.767 ( -0.067 -4.613 0.000) 4.613 14.823 ( -5.285 -0.813 0.000) 5.347 15.015 ( 6.952 -14.222 0.000) 15.830 15.150 ( -4.244 -9.705 0.000) 10.592 15.265 ( 2.704 12.212 0.000) 12.507 15.327 ( -1.781 8.450 0.000) 8.636 15.424 ( 3.532 4.067 0.000) 5.387 15.475 ( -1.189 3.290 0.000) 3.499 16.475 ( 3.999 1.951 0.000) 4.450 16.532 ( -1.596 1.342 0.000) 2.085 16.601 ( 0.830 -3.125 0.000) 3.234 16.632 ( -1.535 -2.558 0.000) 2.983 19.542 ( -0.830 5.023 0.000) 5.091 19.547 ( -1.739 2.619 0.000) 3.144 19.828 ( 3.663 -10.435 0.000) 11.060 19.892 ( -2.285 -9.688 0.000) 9.953 25.600 ( 7.687 4.527 0.000) 8.921 25.749 ( 6.620 -1.896 0.000) 6.887 25.776 ( -8.680 7.685 0.000) 11.593 25.976 ( -15.255 -1.922 0.000) 15.376 27.087 ( 1.834 1.326 0.000) 2.263 27.124 ( -1.608 1.168 0.000) 1.988 27.167 ( 0.998 -1.238 0.000) 1.590 27.193 ( -1.491 -0.513 0.000) 1.577 27.275 ( 0.418 3.555 0.000) 3.580 27.298 ( -1.775 4.495 0.000) 4.833 27.463 ( 1.105 -3.140 0.000) 3.329 27.485 ( -0.753 -2.102 0.000) 2.233 27.746 ( 6.086 -0.654 0.000) 6.121 27.778 ( 5.034 -1.905 0.000) 5.382 27.877 ( -5.798 -1.805 0.000) 6.072 27.892 ( -5.298 -2.148 0.000) 5.717 28.348 ( 5.944 5.106 0.000) 7.836 28.481 ( -5.930 2.552 0.000) 6.455 28.551 ( 4.095 -3.667 0.000) 5.497 28.609 ( -0.284 -2.536 0.000) 2.552 28.635 ( 2.395 5.553 0.000) 6.048 28.659 ( 0.900 4.719 0.000) 4.804 28.817 ( 5.548 -1.857 0.000) 5.850 28.850 ( 1.901 -3.603 0.000) 4.074 30.447 ( 7.731 8.955 0.000) 11.830 30.671 ( -11.721 10.198 0.000) 15.536 31.024 ( 8.596 -16.039 0.000) 18.197 31.181 ( -6.271 -10.976 0.000) 12.641 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 -23.851 0.000) 23.851 1.144 ( 0.000 23.851 0.000) 23.851 1.337 ( 0.000 -30.629 0.000) 30.629 1.337 ( 0.000 30.629 0.000) 30.629 2.054 ( 0.000 -9.628 0.000) 9.628 2.054 ( 0.000 9.628 0.000) 9.628 2.532 ( 0.000 -46.727 0.000) 46.727 2.532 ( 0.000 46.727 0.000) 46.727 2.604 ( 0.000 -0.039 0.000) 0.039 2.604 ( 0.000 0.039 0.000) 0.039 3.118 ( 0.000 -7.517 0.000) 7.517 3.118 ( 0.000 7.517 0.000) 7.517 3.340 ( 0.000 -4.262 0.000) 4.262 3.340 ( 0.000 4.262 0.000) 4.262 3.448 ( 0.000 -1.198 0.000) 1.198 3.448 ( 0.000 1.198 0.000) 1.198 3.573 ( 0.000 -14.407 0.000) 14.407 3.573 ( 0.000 14.407 0.000) 14.407 3.806 ( 0.000 -9.424 0.000) 9.424 3.806 ( 0.000 9.424 0.000) 9.424 3.817 ( 0.000 -5.331 0.000) 5.331 3.817 ( 0.000 5.331 0.000) 5.331 4.151 ( 0.000 -6.788 0.000) 6.788 4.151 ( 0.000 6.788 0.000) 6.788 4.296 ( 0.000 -4.535 0.000) 4.535 4.296 ( 0.000 4.535 0.000) 4.535 4.382 ( 0.000 -10.462 0.000) 10.462 4.382 ( 0.000 10.462 0.000) 10.462 4.624 ( 0.000 -4.477 0.000) 4.477 4.624 ( 0.000 4.477 0.000) 4.477 4.662 ( 0.000 -0.644 0.000) 0.644 4.662 ( 0.000 0.644 0.000) 0.644 5.216 ( 0.000 -7.623 0.000) 7.623 5.216 ( 0.000 7.623 0.000) 7.623 5.287 ( 0.000 -6.195 0.000) 6.195 5.287 ( 0.000 6.195 0.000) 6.195 5.443 ( 0.000 -3.289 0.000) 3.289 5.443 ( 0.000 3.289 0.000) 3.289 5.463 ( 0.000 -1.344 0.000) 1.344 5.463 ( 0.000 1.344 0.000) 1.344 5.550 ( 0.000 -2.228 0.000) 2.228 5.550 ( 0.000 2.228 0.000) 2.228 5.773 ( 0.000 -11.671 0.000) 11.671 5.773 ( 0.000 11.671 0.000) 11.671 5.815 ( 0.000 -11.331 0.000) 11.331 5.815 ( 0.000 11.331 0.000) 11.331 6.011 ( 0.000 -2.981 0.000) 2.981 6.011 ( 0.000 2.981 0.000) 2.981 6.171 ( 0.000 -0.335 0.000) 0.335 6.171 ( 0.000 0.335 0.000) 0.335 6.215 ( 0.000 -10.307 0.000) 10.307 6.215 ( 0.000 10.307 0.000) 10.307 6.423 ( 0.000 -1.785 0.000) 1.785 6.423 ( 0.000 1.785 0.000) 1.785 6.496 ( 0.000 -4.745 0.000) 4.745 6.496 ( 0.000 4.745 0.000) 4.745 6.709 ( 0.000 -2.469 0.000) 2.469 6.709 ( 0.000 2.469 0.000) 2.469 6.862 ( 0.000 -8.981 0.000) 8.981 6.862 ( 0.000 8.981 0.000) 8.981 6.885 ( 0.000 -1.458 0.000) 1.458 6.885 ( 0.000 1.458 0.000) 1.458 7.096 ( 0.000 -8.814 0.000) 8.814 7.096 ( 0.000 8.814 0.000) 8.814 7.251 ( 0.000 -11.847 0.000) 11.847 7.251 ( 0.000 11.847 0.000) 11.847 7.518 ( 0.000 -1.701 0.000) 1.701 7.518 ( 0.000 1.701 0.000) 1.701 7.974 ( 0.000 -0.283 0.000) 0.283 7.974 ( 0.000 0.283 0.000) 0.283 8.241 ( 0.000 -3.916 0.000) 3.916 8.241 ( 0.000 3.916 0.000) 3.916 8.269 ( 0.000 -2.794 0.000) 2.794 8.269 ( 0.000 2.794 0.000) 2.794 8.544 ( 0.000 -1.719 0.000) 1.719 8.544 ( 0.000 1.719 0.000) 1.719 8.774 ( 0.000 -10.655 0.000) 10.655 8.774 ( 0.000 10.655 0.000) 10.655 8.858 ( 0.000 -2.774 0.000) 2.774 8.858 ( 0.000 2.774 0.000) 2.774 8.965 ( 0.000 -14.696 0.000) 14.696 8.965 ( 0.000 14.696 0.000) 14.696 9.541 ( 0.000 -13.238 0.000) 13.238 9.541 ( 0.000 13.238 0.000) 13.238 9.941 ( 0.000 -17.172 0.000) 17.172 9.941 ( 0.000 17.172 0.000) 17.172 10.021 ( 0.000 -7.671 0.000) 7.671 10.021 ( 0.000 7.671 0.000) 7.671 10.395 ( 0.000 -5.082 0.000) 5.082 10.395 ( 0.000 5.082 0.000) 5.082 10.561 ( 0.000 -10.423 0.000) 10.423 10.561 ( 0.000 10.423 0.000) 10.423 10.842 ( 0.000 -11.631 0.000) 11.631 10.842 ( 0.000 11.631 0.000) 11.631 11.038 ( 0.000 -17.376 0.000) 17.376 11.038 ( 0.000 17.376 0.000) 17.376 11.597 ( 0.000 -8.959 0.000) 8.959 11.597 ( 0.000 8.959 0.000) 8.959 11.741 ( 0.000 -13.367 0.000) 13.367 11.741 ( 0.000 13.367 0.000) 13.367 12.327 ( 0.000 -5.916 0.000) 5.916 12.327 ( 0.000 5.916 0.000) 5.916 13.087 ( 0.000 -21.314 0.000) 21.314 13.087 ( 0.000 21.314 0.000) 21.314 13.959 ( 0.000 -0.245 0.000) 0.245 13.959 ( 0.000 0.245 0.000) 0.245 13.999 ( 0.000 -4.623 0.000) 4.623 13.999 ( 0.000 4.623 0.000) 4.623 14.353 ( 0.000 -30.062 0.000) 30.062 14.353 ( 0.000 30.062 0.000) 30.062 14.394 ( 0.000 -9.980 0.000) 9.980 14.394 ( 0.000 9.980 0.000) 9.980 14.807 ( 0.000 -0.869 0.000) 0.869 14.807 ( 0.000 0.869 0.000) 0.869 15.196 ( 0.000 -5.897 0.000) 5.897 15.196 ( 0.000 5.897 0.000) 5.897 15.326 ( 0.000 -1.419 0.000) 1.419 15.326 ( 0.000 1.419 0.000) 1.419 15.575 ( 0.000 -5.644 0.000) 5.644 15.575 ( 0.000 5.644 0.000) 5.644 16.488 ( 0.000 -7.940 0.000) 7.940 16.488 ( 0.000 7.940 0.000) 7.940 16.609 ( 0.000 -2.804 0.000) 2.804 16.609 ( 0.000 2.804 0.000) 2.804 19.677 ( 0.000 -3.911 0.000) 3.911 19.677 ( 0.000 3.911 0.000) 3.911 19.750 ( 0.000 -10.379 0.000) 10.379 19.750 ( 0.000 10.379 0.000) 10.379 25.530 ( 0.000 -5.734 0.000) 5.734 25.530 ( 0.000 5.734 0.000) 5.734 26.575 ( 0.000 -6.044 0.000) 6.044 26.575 ( 0.000 6.044 0.000) 6.044 27.095 ( 0.000 -3.179 0.000) 3.179 27.095 ( 0.000 3.179 0.000) 3.179 27.247 ( 0.000 -3.189 0.000) 3.189 27.247 ( 0.000 3.189 0.000) 3.189 27.348 ( 0.000 -4.749 0.000) 4.749 27.348 ( 0.000 4.749 0.000) 4.749 27.483 ( 0.000 -1.531 0.000) 1.531 27.483 ( 0.000 1.531 0.000) 1.531 27.649 ( 0.000 -1.889 0.000) 1.889 27.649 ( 0.000 1.889 0.000) 1.889 28.000 ( 0.000 -0.068 0.000) 0.068 28.000 ( 0.000 0.068 0.000) 0.068 28.138 ( 0.000 -0.530 0.000) 0.530 28.138 ( 0.000 0.530 0.000) 0.530 28.322 ( 0.000 -5.023 0.000) 5.023 28.322 ( 0.000 5.023 0.000) 5.023 28.668 ( 0.000 -0.669 0.000) 0.669 28.668 ( 0.000 0.669 0.000) 0.669 28.674 ( 0.000 -5.495 0.000) 5.495 28.674 ( 0.000 5.495 0.000) 5.495 30.394 ( 0.000 -1.017 0.000) 1.017 30.394 ( 0.000 1.017 0.000) 1.017 31.153 ( 0.000 -10.285 0.000) 10.285 31.153 ( 0.000 10.285 0.000) 10.285 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.496 ( 26.040 -18.781 0.000) 32.106 1.496 ( 26.040 18.781 0.000) 32.106 1.841 ( 37.986 -21.931 0.000) 43.862 1.841 ( 37.986 21.931 0.000) 43.862 2.247 ( 16.932 -8.835 0.000) 19.099 2.247 ( 16.932 8.835 0.000) 19.099 2.536 ( 2.740 -32.760 0.000) 32.874 2.536 ( 2.740 32.760 0.000) 32.874 2.794 ( 13.847 -5.345 0.000) 14.843 2.794 ( 13.847 5.345 0.000) 14.843 3.022 ( -10.539 -12.078 0.000) 16.030 3.022 ( -10.539 12.078 0.000) 16.030 3.333 ( -0.419 -8.542 0.000) 8.553 3.333 ( -0.419 8.542 0.000) 8.553 3.369 ( -3.101 -8.161 0.000) 8.730 3.369 ( -3.101 8.161 0.000) 8.730 3.631 ( 2.421 -14.023 0.000) 14.231 3.631 ( 2.421 14.023 0.000) 14.231 3.752 ( -3.239 -8.206 0.000) 8.822 3.752 ( -3.239 8.206 0.000) 8.822 3.922 ( 9.443 -9.747 0.000) 13.571 3.922 ( 9.443 9.747 0.000) 13.571 4.205 ( 1.447 -5.222 0.000) 5.418 4.205 ( 1.447 5.222 0.000) 5.418 4.350 ( 6.568 -2.743 0.000) 7.118 4.350 ( 6.568 2.743 0.000) 7.118 4.358 ( -1.580 -10.660 0.000) 10.776 4.358 ( -1.580 10.660 0.000) 10.776 4.646 ( -0.732 -2.411 0.000) 2.520 4.646 ( -0.732 2.411 0.000) 2.520 4.650 ( 2.684 -2.694 0.000) 3.803 4.650 ( 2.684 2.694 0.000) 3.803 5.166 ( -8.282 -11.266 0.000) 13.982 5.166 ( -8.282 11.266 0.000) 13.982 5.211 ( -1.252 -10.307 0.000) 10.383 5.211 ( -1.252 10.307 0.000) 10.383 5.461 ( -2.977 -5.147 0.000) 5.946 5.461 ( -2.977 5.147 0.000) 5.946 5.536 ( 4.084 -2.198 0.000) 4.637 5.536 ( 4.084 2.198 0.000) 4.637 5.567 ( 0.340 -6.203 0.000) 6.212 5.567 ( 0.340 6.203 0.000) 6.212 5.709 ( -7.595 -7.527 0.000) 10.693 5.709 ( -7.595 7.527 0.000) 10.693 5.737 ( -4.091 -5.913 0.000) 7.190 5.737 ( -4.091 5.913 0.000) 7.190 6.069 ( 4.082 -6.270 0.000) 7.481 6.069 ( 4.082 6.270 0.000) 7.481 6.100 ( -5.558 -16.269 0.000) 17.192 6.100 ( -5.558 16.269 0.000) 17.192 6.218 ( -0.746 -4.350 0.000) 4.413 6.218 ( -0.746 4.350 0.000) 4.413 6.297 ( -7.849 -1.737 0.000) 8.039 6.297 ( -7.849 1.737 0.000) 8.039 6.368 ( -8.805 -5.369 0.000) 10.313 6.368 ( -8.805 5.369 0.000) 10.313 6.618 ( -19.277 -7.242 0.000) 20.592 6.618 ( -19.277 7.242 0.000) 20.592 6.701 ( -4.079 -4.086 0.000) 5.774 6.701 ( -4.079 4.086 0.000) 5.774 6.904 ( 2.749 -7.511 0.000) 7.998 6.904 ( 2.749 7.511 0.000) 7.998 7.035 ( -4.171 -3.670 0.000) 5.556 7.035 ( -4.171 3.670 0.000) 5.556 7.198 ( -1.481 -8.173 0.000) 8.306 7.198 ( -1.481 8.173 0.000) 8.306 7.449 ( -5.761 -1.231 0.000) 5.891 7.449 ( -5.761 1.231 0.000) 5.891 8.034 ( 5.581 -7.241 0.000) 9.143 8.034 ( 5.581 7.241 0.000) 9.143 8.351 ( 9.230 -3.752 0.000) 9.963 8.351 ( 9.230 3.752 0.000) 9.963 8.412 ( 5.249 -5.832 0.000) 7.847 8.412 ( 5.249 5.832 0.000) 7.847 8.522 ( 2.077 -1.426 0.000) 2.519 8.522 ( 2.077 1.426 0.000) 2.519 8.785 ( 0.673 -10.864 0.000) 10.885 8.785 ( 0.673 10.864 0.000) 10.885 8.933 ( 4.382 -5.185 0.000) 6.789 8.933 ( 4.382 5.185 0.000) 6.789 9.104 ( 7.960 -10.500 0.000) 13.176 9.104 ( 7.960 10.500 0.000) 13.176 9.542 ( -0.850 -13.374 0.000) 13.401 9.542 ( -0.850 13.374 0.000) 13.401 9.833 ( -1.545 -9.298 0.000) 9.425 9.833 ( -1.545 9.298 0.000) 9.425 10.016 ( -0.135 -8.448 0.000) 8.449 10.016 ( -0.135 8.448 0.000) 8.449 10.634 ( 5.865 -7.741 0.000) 9.712 10.634 ( 5.865 7.741 0.000) 9.712 10.692 ( 16.963 -10.847 0.000) 20.135 10.692 ( 16.963 10.847 0.000) 20.135 10.884 ( 5.239 -5.021 0.000) 7.257 10.884 ( 5.239 5.021 0.000) 7.257 11.132 ( 8.910 -17.401 0.000) 19.550 11.132 ( 8.910 17.401 0.000) 19.550 11.535 ( -5.544 -8.940 0.000) 10.520 11.535 ( -5.544 8.940 0.000) 10.520 11.718 ( -1.693 -12.226 0.000) 12.343 11.718 ( -1.693 12.226 0.000) 12.343 12.281 ( -3.854 -5.745 0.000) 6.918 12.281 ( -3.854 5.745 0.000) 6.918 12.861 ( -20.233 -19.085 0.000) 27.814 12.861 ( -20.233 19.085 0.000) 27.814 13.936 ( -1.060 -5.928 0.000) 6.022 13.936 ( -1.060 5.928 0.000) 6.022 13.998 ( -0.228 -5.948 0.000) 5.953 13.998 ( -0.228 5.948 0.000) 5.953 14.367 ( -1.740 -6.491 0.000) 6.720 14.367 ( -1.740 6.491 0.000) 6.720 14.388 ( 2.389 -29.413 0.000) 29.510 14.388 ( 2.389 29.413 0.000) 29.510 14.754 ( -3.195 -0.369 0.000) 3.217 14.754 ( -3.195 0.369 0.000) 3.217 15.127 ( -7.308 -5.681 0.000) 9.257 15.127 ( -7.308 5.681 0.000) 9.257 15.375 ( 3.646 -0.848 0.000) 3.743 15.375 ( 3.646 0.848 0.000) 3.743 15.480 ( -4.022 -4.995 0.000) 6.413 15.480 ( -4.022 4.995 0.000) 6.413 16.495 ( 0.983 -6.606 0.000) 6.679 16.495 ( 0.983 6.606 0.000) 6.679 16.601 ( -0.762 -2.914 0.000) 3.012 16.601 ( -0.762 2.914 0.000) 3.012 19.643 ( -1.679 -2.958 0.000) 3.401 19.643 ( -1.679 2.958 0.000) 3.401 19.733 ( -1.547 -10.471 0.000) 10.585 19.733 ( -1.547 10.471 0.000) 10.585 25.569 ( 3.701 -5.305 0.000) 6.469 25.569 ( 3.701 5.305 0.000) 6.469 26.265 ( -19.995 -8.521 0.000) 21.735 26.265 ( -19.995 8.521 0.000) 21.735 27.103 ( 0.691 -2.996 0.000) 3.075 27.103 ( 0.691 2.996 0.000) 3.075 27.202 ( -2.421 -2.564 0.000) 3.526 27.202 ( -2.421 2.564 0.000) 3.526 27.353 ( 0.571 -5.110 0.000) 5.141 27.353 ( 0.571 5.110 0.000) 5.141 27.453 ( -1.752 -3.402 0.000) 3.827 27.453 ( -1.752 3.402 0.000) 3.827 27.657 ( 2.534 -2.149 0.000) 3.323 27.657 ( 2.534 2.149 0.000) 3.323 27.959 ( -3.582 -0.441 0.000) 3.609 27.959 ( -3.582 0.441 0.000) 3.609 28.365 ( 3.630 -5.765 0.000) 6.813 28.365 ( 3.630 5.765 0.000) 6.813 28.471 ( 15.391 -4.972 0.000) 16.174 28.471 ( 15.391 4.972 0.000) 16.174 28.665 ( 0.895 -2.886 0.000) 3.022 28.665 ( 0.895 2.886 0.000) 3.022 28.700 ( 2.224 -5.820 0.000) 6.231 28.700 ( 2.224 5.820 0.000) 6.231 30.485 ( 7.869 -9.482 0.000) 12.322 30.485 ( 7.869 9.482 0.000) 12.322 31.091 ( -5.675 -11.595 0.000) 12.909 31.091 ( -5.675 11.595 0.000) 12.909 ======================= Grid point 14 (9/45) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.054 ( 24.605 -12.677 0.000) 27.679 2.054 ( 24.605 12.677 0.000) 27.679 2.422 ( 1.695 -22.063 0.000) 22.128 2.422 ( 1.695 22.063 0.000) 22.128 2.640 ( 13.927 -3.539 0.000) 14.370 2.640 ( 13.927 3.539 0.000) 14.370 2.669 ( -0.102 -14.215 0.000) 14.215 2.669 ( -0.102 14.215 0.000) 14.215 2.870 ( 10.562 -6.922 0.000) 12.628 2.870 ( 10.562 6.922 0.000) 12.628 2.922 ( -2.001 -18.763 0.000) 18.870 2.922 ( -2.001 18.763 0.000) 18.870 3.277 ( -2.415 -8.554 0.000) 8.889 3.277 ( -2.415 8.554 0.000) 8.889 3.353 ( -1.031 -17.739 0.000) 17.769 3.353 ( -1.031 17.739 0.000) 17.769 3.779 ( 12.250 -13.624 0.000) 18.322 3.779 ( 12.250 13.624 0.000) 18.322 3.817 ( 10.078 -2.049 0.000) 10.284 3.817 ( 10.078 2.049 0.000) 10.284 4.075 ( 1.329 -5.464 0.000) 5.623 4.075 ( 1.329 5.464 0.000) 5.623 4.156 ( -6.721 -8.697 0.000) 10.991 4.156 ( -6.721 8.697 0.000) 10.991 4.355 ( 2.563 -2.263 0.000) 3.419 4.355 ( 2.563 2.263 0.000) 3.419 4.452 ( -2.217 -5.514 0.000) 5.943 4.452 ( -2.217 5.514 0.000) 5.943 4.644 ( 1.584 -5.227 0.000) 5.462 4.644 ( 1.584 5.227 0.000) 5.462 4.762 ( 0.267 -4.600 0.000) 4.607 4.762 ( 0.267 4.600 0.000) 4.607 4.966 ( -1.249 -10.270 0.000) 10.346 4.966 ( -1.249 10.270 0.000) 10.346 5.154 ( -4.569 -12.779 0.000) 13.572 5.154 ( -4.569 12.779 0.000) 13.572 5.252 ( -6.043 -9.963 0.000) 11.653 5.252 ( -6.043 9.963 0.000) 11.653 5.387 ( -15.072 -3.344 0.000) 15.439 5.387 ( -15.072 3.344 0.000) 15.439 5.567 ( 2.317 -2.958 0.000) 3.757 5.567 ( 2.317 2.958 0.000) 3.757 5.651 ( -2.409 -1.333 0.000) 2.754 5.651 ( -2.409 1.333 0.000) 2.754 5.782 ( 6.443 -12.982 0.000) 14.493 5.782 ( 6.443 12.982 0.000) 14.493 5.968 ( -13.158 -7.273 0.000) 15.034 5.968 ( -13.158 7.273 0.000) 15.034 6.078 ( -0.146 -11.018 0.000) 11.018 6.078 ( -0.146 11.018 0.000) 11.018 6.107 ( -3.479 -4.372 0.000) 5.587 6.107 ( -3.479 4.372 0.000) 5.587 6.174 ( -1.364 -0.910 0.000) 1.640 6.174 ( -1.364 0.910 0.000) 1.640 6.222 ( -5.142 -0.885 0.000) 5.217 6.222 ( -5.142 0.885 0.000) 5.217 6.424 ( 3.758 -2.786 0.000) 4.678 6.424 ( 3.758 2.786 0.000) 4.678 6.568 ( -7.557 -4.612 0.000) 8.853 6.568 ( -7.557 4.612 0.000) 8.853 6.950 ( 1.337 -3.821 0.000) 4.048 6.950 ( 1.337 3.821 0.000) 4.048 6.977 ( -1.509 -4.115 0.000) 4.383 6.977 ( -1.509 4.115 0.000) 4.383 7.216 ( 2.960 -7.506 0.000) 8.069 7.216 ( 2.960 7.506 0.000) 8.069 7.315 ( -5.938 -4.410 0.000) 7.396 7.315 ( -5.938 4.410 0.000) 7.396 8.189 ( 7.938 -11.120 0.000) 13.663 8.189 ( 7.938 11.120 0.000) 13.663 8.344 ( -6.358 -9.498 0.000) 11.430 8.344 ( -6.358 9.498 0.000) 11.430 8.583 ( 11.063 -3.971 0.000) 11.754 8.583 ( 11.063 3.971 0.000) 11.754 8.663 ( 4.631 -1.329 0.000) 4.818 8.663 ( 4.631 1.329 0.000) 4.818 8.793 ( 0.377 -10.818 0.000) 10.825 8.793 ( 0.377 10.818 0.000) 10.825 8.897 ( -8.052 -3.594 0.000) 8.818 8.897 ( -8.052 3.594 0.000) 8.818 9.266 ( 9.383 -13.771 0.000) 16.664 9.266 ( 9.383 13.771 0.000) 16.664 9.459 ( -7.217 -14.613 0.000) 16.298 9.459 ( -7.217 14.613 0.000) 16.298 9.934 ( 6.932 -8.847 0.000) 11.240 9.934 ( 6.932 8.847 0.000) 11.240 10.017 ( -0.721 -10.410 0.000) 10.435 10.017 ( -0.721 10.410 0.000) 10.435 10.761 ( 5.257 -5.268 0.000) 7.442 10.761 ( 5.257 5.268 0.000) 7.442 10.831 ( -0.450 -6.445 0.000) 6.460 10.831 ( -0.450 6.445 0.000) 6.460 11.128 ( 12.304 -10.526 0.000) 16.192 11.128 ( 12.304 10.526 0.000) 16.192 11.329 ( -2.881 -7.094 0.000) 7.657 11.329 ( -2.881 7.094 0.000) 7.657 11.451 ( 8.988 -16.180 0.000) 18.509 11.451 ( 8.988 16.180 0.000) 18.509 11.666 ( -4.853 -17.119 0.000) 17.793 11.666 ( -4.853 17.119 0.000) 17.793 12.207 ( -1.068 -5.471 0.000) 5.574 12.207 ( -1.068 5.471 0.000) 5.574 12.379 ( -19.104 -11.057 0.000) 22.073 12.379 ( -19.104 11.057 0.000) 22.073 13.944 ( 1.629 -10.110 0.000) 10.241 13.944 ( 1.629 10.110 0.000) 10.241 13.982 ( -1.421 -8.783 0.000) 8.897 13.982 ( -1.421 8.783 0.000) 8.897 14.355 ( 1.016 -6.480 0.000) 6.559 14.355 ( 1.016 6.480 0.000) 6.559 14.398 ( -1.890 -18.826 0.000) 18.920 14.398 ( -1.890 18.826 0.000) 18.920 14.762 ( 4.894 -7.098 0.000) 8.621 14.762 ( 4.894 7.098 0.000) 8.621 14.928 ( -9.580 -11.571 0.000) 15.022 14.928 ( -9.580 11.571 0.000) 15.022 15.442 ( 2.069 -2.673 0.000) 3.380 15.442 ( 2.069 2.673 0.000) 3.380 15.458 ( 0.245 -5.890 0.000) 5.895 15.458 ( 0.245 5.890 0.000) 5.895 16.531 ( 2.100 -3.738 0.000) 4.287 16.531 ( 2.100 3.738 0.000) 4.287 16.574 ( -1.766 -2.979 0.000) 3.463 16.574 ( -1.766 2.979 0.000) 3.463 19.642 ( 1.484 -7.662 0.000) 7.804 19.642 ( 1.484 7.662 0.000) 7.804 19.689 ( -2.448 -10.096 0.000) 10.389 19.689 ( -2.448 10.096 0.000) 10.389 25.690 ( 7.735 -4.233 0.000) 8.817 25.690 ( 7.735 4.233 0.000) 8.817 25.909 ( -13.078 -5.384 0.000) 14.143 25.909 ( -13.078 5.384 0.000) 14.143 27.125 ( 1.339 -2.500 0.000) 2.836 27.125 ( 1.339 2.500 0.000) 2.836 27.158 ( -1.782 -2.258 0.000) 2.876 27.158 ( -1.782 2.258 0.000) 2.876 27.373 ( 1.338 -5.743 0.000) 5.897 27.373 ( 1.338 5.743 0.000) 5.897 27.411 ( -2.039 -5.653 0.000) 6.009 27.411 ( -2.039 5.653 0.000) 6.009 27.746 ( 5.260 -0.961 0.000) 5.347 27.746 ( 5.260 0.961 0.000) 5.347 27.862 ( -5.231 -0.540 0.000) 5.259 27.862 ( -5.231 0.540 0.000) 5.259 28.458 ( 4.600 -5.789 0.000) 7.394 28.458 ( 4.600 5.789 0.000) 7.394 28.545 ( -3.023 -3.754 0.000) 4.820 28.545 ( -3.023 3.754 0.000) 4.820 28.754 ( 2.191 -6.130 0.000) 6.510 28.754 ( 2.191 6.130 0.000) 6.510 28.755 ( 3.074 -4.569 0.000) 5.507 28.755 ( 3.074 4.569 0.000) 5.507 30.694 ( 10.916 -16.351 0.000) 19.660 30.694 ( 10.916 16.351 0.000) 19.660 30.921 ( -9.793 -14.758 0.000) 17.711 30.921 ( -9.793 14.758 0.000) 17.711 ======================= Grid point 25 (10/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.610 ( 0.000 0.000 30.076) 30.076 0.928 ( 0.000 0.000 43.946) 43.946 1.452 ( 0.000 0.000 56.920) 56.920 1.800 ( 0.000 0.000 1.674) 1.674 2.239 ( 0.000 0.000 17.146) 17.146 2.242 ( 0.000 0.000 47.053) 47.053 2.398 ( 0.000 0.000 -13.874) 13.874 2.480 ( 0.000 0.000 14.445) 14.445 2.514 ( 0.000 0.000 -0.443) 0.443 3.039 ( 0.000 0.000 3.761) 3.761 3.259 ( 0.000 0.000 6.669) 6.669 3.260 ( 0.000 0.000 -1.998) 1.998 3.303 ( 0.000 0.000 19.679) 19.679 3.378 ( 0.000 0.000 0.276) 0.276 3.508 ( 0.000 0.000 -11.298) 11.298 3.538 ( 0.000 0.000 8.551) 8.551 3.609 ( 0.000 0.000 -3.389) 3.389 3.617 ( 0.000 0.000 5.674) 5.674 3.752 ( 0.000 0.000 7.251) 7.251 3.942 ( 0.000 0.000 6.055) 6.055 3.957 ( 0.000 0.000 21.371) 21.371 3.978 ( 0.000 0.000 -1.499) 1.499 4.076 ( 0.000 0.000 -6.304) 6.304 4.202 ( 0.000 0.000 14.746) 14.746 4.430 ( 0.000 0.000 4.894) 4.894 4.479 ( 0.000 0.000 -3.483) 3.483 4.491 ( 0.000 0.000 3.438) 3.438 4.560 ( 0.000 0.000 6.329) 6.329 4.586 ( 0.000 0.000 -3.585) 3.585 4.674 ( 0.000 0.000 1.739) 1.739 4.717 ( 0.000 0.000 6.147) 6.147 4.848 ( 0.000 0.000 3.043) 3.043 5.122 ( 0.000 0.000 -11.870) 11.870 5.224 ( 0.000 0.000 6.579) 6.579 5.304 ( 0.000 0.000 6.647) 6.647 5.407 ( 0.000 0.000 -3.240) 3.240 5.442 ( 0.000 0.000 -14.544) 14.544 5.499 ( 0.000 0.000 6.857) 6.857 5.518 ( 0.000 0.000 -0.089) 0.089 5.520 ( 0.000 0.000 1.461) 1.461 5.600 ( 0.000 0.000 -2.428) 2.428 5.625 ( 0.000 0.000 -0.857) 0.857 5.647 ( 0.000 0.000 -1.029) 1.029 5.778 ( 0.000 0.000 3.330) 3.330 5.957 ( 0.000 0.000 -0.805) 0.805 5.976 ( 0.000 0.000 -14.755) 14.755 6.029 ( 0.000 0.000 -0.560) 0.560 6.044 ( 0.000 0.000 -2.654) 2.654 6.144 ( 0.000 0.000 -0.548) 0.548 6.160 ( 0.000 0.000 -3.329) 3.329 6.195 ( 0.000 0.000 -3.179) 3.179 6.209 ( 0.000 0.000 -3.232) 3.232 6.356 ( 0.000 0.000 -2.409) 2.409 6.405 ( 0.000 0.000 8.536) 8.536 6.511 ( 0.000 0.000 -0.200) 0.200 6.533 ( 0.000 0.000 2.500) 2.500 6.552 ( 0.000 0.000 -0.065) 0.065 6.631 ( 0.000 0.000 2.676) 2.676 6.655 ( 0.000 0.000 0.203) 0.203 6.667 ( 0.000 0.000 0.528) 0.528 6.766 ( 0.000 0.000 -0.369) 0.369 6.917 ( 0.000 0.000 0.539) 0.539 7.105 ( 0.000 0.000 2.570) 2.570 7.214 ( 0.000 0.000 0.671) 0.671 7.350 ( 0.000 0.000 -4.277) 4.277 7.409 ( 0.000 0.000 -4.371) 4.371 7.432 ( 0.000 0.000 -2.170) 2.170 7.448 ( 0.000 0.000 2.962) 2.962 7.525 ( 0.000 0.000 1.446) 1.446 7.965 ( 0.000 0.000 -7.704) 7.704 8.097 ( 0.000 0.000 -14.109) 14.109 8.141 ( 0.000 0.000 7.719) 7.719 8.227 ( 0.000 0.000 5.313) 5.313 8.242 ( 0.000 0.000 -13.515) 13.515 8.571 ( 0.000 0.000 10.119) 10.119 8.648 ( 0.000 0.000 0.088) 0.088 8.682 ( 0.000 0.000 3.606) 3.606 8.861 ( 0.000 0.000 14.845) 14.845 8.872 ( 0.000 0.000 8.289) 8.289 9.002 ( 0.000 0.000 9.094) 9.094 9.343 ( 0.000 0.000 -0.043) 0.043 9.365 ( 0.000 0.000 -11.962) 11.962 9.455 ( 0.000 0.000 2.476) 2.476 9.605 ( 0.000 0.000 4.503) 4.503 9.954 ( 0.000 0.000 4.855) 4.855 10.082 ( 0.000 0.000 -4.539) 4.539 10.095 ( 0.000 0.000 -9.359) 9.359 10.207 ( 0.000 0.000 1.765) 1.765 10.290 ( 0.000 0.000 6.376) 6.376 10.381 ( 0.000 0.000 0.752) 0.752 10.533 ( 0.000 0.000 -7.417) 7.417 10.807 ( 0.000 0.000 -7.304) 7.304 10.840 ( 0.000 0.000 3.553) 3.553 10.846 ( 0.000 0.000 -7.653) 7.653 10.873 ( 0.000 0.000 2.446) 2.446 11.162 ( 0.000 0.000 -11.962) 11.962 11.376 ( 0.000 0.000 -5.609) 5.609 11.486 ( 0.000 0.000 0.362) 0.362 11.825 ( 0.000 0.000 -0.415) 0.415 12.200 ( 0.000 0.000 -13.292) 13.292 12.511 ( 0.000 0.000 -4.008) 4.008 12.699 ( 0.000 0.000 2.298) 2.298 12.728 ( 0.000 0.000 -1.926) 1.926 13.179 ( 0.000 0.000 1.021) 1.021 13.197 ( 0.000 0.000 -32.647) 32.647 13.383 ( 0.000 0.000 3.671) 3.671 13.676 ( 0.000 0.000 -6.731) 6.731 13.895 ( 0.000 0.000 2.549) 2.549 13.963 ( 0.000 0.000 -4.764) 4.764 14.194 ( 0.000 0.000 6.175) 6.175 14.248 ( 0.000 0.000 -1.353) 1.353 14.622 ( 0.000 0.000 -8.226) 8.226 14.732 ( 0.000 0.000 -8.970) 8.970 15.034 ( 0.000 0.000 8.841) 8.841 15.117 ( 0.000 0.000 -3.260) 3.260 15.219 ( 0.000 0.000 9.743) 9.743 15.251 ( 0.000 0.000 16.015) 16.015 15.329 ( 0.000 0.000 -2.440) 2.440 15.396 ( 0.000 0.000 -1.286) 1.286 15.642 ( 0.000 0.000 14.573) 14.573 16.288 ( 0.000 0.000 3.533) 3.533 16.601 ( 0.000 0.000 3.759) 3.759 16.670 ( 0.000 0.000 2.920) 2.920 16.763 ( 0.000 0.000 2.501) 2.501 19.496 ( 0.000 0.000 -1.306) 1.306 19.581 ( 0.000 0.000 0.187) 0.187 19.785 ( 0.000 0.000 0.979) 0.979 20.047 ( 0.000 0.000 -2.596) 2.596 25.404 ( 0.000 0.000 1.708) 1.708 25.610 ( 0.000 0.000 -4.446) 4.446 25.781 ( 0.000 0.000 -0.163) 0.163 26.374 ( 0.000 0.000 -22.212) 22.212 27.121 ( 0.000 0.000 1.688) 1.688 27.208 ( 0.000 0.000 4.454) 4.454 27.310 ( 0.000 0.000 0.018) 0.018 27.394 ( 0.000 0.000 -1.583) 1.583 27.408 ( 0.000 0.000 7.685) 7.685 27.436 ( 0.000 0.000 10.702) 10.702 27.592 ( 0.000 0.000 4.854) 4.854 27.607 ( 0.000 0.000 8.417) 8.417 27.616 ( 0.000 0.000 5.303) 5.303 27.650 ( 0.000 0.000 -0.406) 0.406 27.731 ( 0.000 0.000 2.800) 2.800 28.033 ( 0.000 0.000 -2.025) 2.025 28.064 ( 0.000 0.000 -6.151) 6.151 28.191 ( 0.000 0.000 5.291) 5.291 28.347 ( 0.000 0.000 -1.475) 1.475 28.492 ( 0.000 0.000 -0.263) 0.263 28.610 ( 0.000 0.000 -3.988) 3.988 28.672 ( 0.000 0.000 -1.659) 1.659 28.739 ( 0.000 0.000 -1.302) 1.302 28.800 ( 0.000 0.000 1.256) 1.256 30.375 ( 0.000 0.000 1.340) 1.340 30.877 ( 0.000 0.000 -1.215) 1.215 31.211 ( 0.000 0.000 2.384) 2.384 31.365 ( 0.000 0.000 -2.635) 2.635 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.958 ( 26.361 0.000 20.779) 33.566 1.284 ( 34.095 0.000 19.674) 39.364 2.004 ( 19.096 0.000 -4.828) 19.697 2.061 ( 39.672 0.000 50.137) 63.934 2.262 ( 7.113 0.000 27.198) 28.113 2.497 ( 14.669 0.000 -2.464) 14.875 2.508 ( 9.459 0.000 10.295) 13.981 2.647 ( 11.878 0.000 15.022) 19.151 2.727 ( 17.474 0.000 -3.100) 17.747 2.969 ( -9.273 0.000 1.149) 9.344 3.181 ( -3.853 0.000 11.934) 12.541 3.183 ( -8.935 0.000 14.478) 17.013 3.277 ( -0.426 0.000 12.101) 12.108 3.328 ( -3.167 0.000 5.858) 6.660 3.435 ( -3.434 0.000 -4.102) 5.349 3.596 ( 6.063 0.000 -9.413) 11.197 3.635 ( 11.963 0.000 -4.185) 12.674 3.691 ( -13.240 0.000 19.321) 23.422 3.831 ( 3.653 0.000 -0.101) 3.654 3.946 ( 11.656 0.000 7.645) 13.939 3.950 ( 4.955 0.000 7.274) 8.801 4.071 ( 6.452 0.000 -3.068) 7.144 4.082 ( -0.862 0.000 -1.783) 1.981 4.259 ( 4.950 0.000 10.648) 11.742 4.469 ( -0.196 0.000 7.161) 7.164 4.479 ( -0.213 0.000 -3.237) 3.244 4.510 ( 0.824 0.000 0.993) 1.291 4.535 ( -2.240 0.000 5.127) 5.595 4.547 ( -3.130 0.000 -4.229) 5.262 4.680 ( -0.670 0.000 1.220) 1.392 4.681 ( 2.124 0.000 3.142) 3.793 4.896 ( 1.468 0.000 1.739) 2.275 5.093 ( -13.799 0.000 3.971) 14.359 5.160 ( -8.794 0.000 5.109) 10.170 5.196 ( -4.972 0.000 -14.224) 15.068 5.238 ( 0.744 0.000 -6.732) 6.773 5.371 ( -6.190 0.000 -4.183) 7.470 5.434 ( -4.566 0.000 3.003) 5.465 5.496 ( -7.660 0.000 -1.316) 7.772 5.544 ( -2.938 0.000 -0.413) 2.967 5.573 ( -1.479 0.000 0.797) 1.680 5.627 ( 7.062 0.000 9.925) 12.181 5.640 ( -6.318 0.000 4.752) 7.906 5.735 ( -8.463 0.000 1.932) 8.681 5.752 ( -2.527 0.000 -7.533) 7.945 5.812 ( -6.985 0.000 -2.618) 7.460 6.028 ( -5.379 0.000 0.969) 5.466 6.057 ( 6.009 0.000 -3.048) 6.738 6.124 ( -2.617 0.000 -2.191) 3.414 6.181 ( 1.298 0.000 -0.786) 1.517 6.292 ( 1.392 0.000 1.140) 1.799 6.333 ( -6.679 0.000 -1.486) 6.842 6.360 ( 4.977 0.000 -3.123) 5.876 6.414 ( 2.261 0.000 5.300) 5.762 6.480 ( -7.959 0.000 -0.971) 8.018 6.506 ( -4.095 0.000 -3.587) 5.443 6.540 ( 2.070 0.000 -0.754) 2.203 6.577 ( -2.212 0.000 8.747) 9.022 6.584 ( 0.416 0.000 1.075) 1.153 6.677 ( 2.971 0.000 2.528) 3.901 6.769 ( -1.842 0.000 3.408) 3.874 6.782 ( -9.466 0.000 4.996) 10.703 6.943 ( -7.889 0.000 2.972) 8.430 7.134 ( -7.796 0.000 0.824) 7.839 7.262 ( -11.652 0.000 -0.423) 11.660 7.296 ( -7.248 0.000 1.756) 7.458 7.326 ( -9.993 0.000 6.205) 11.762 7.344 ( -11.298 0.000 1.772) 11.436 7.619 ( 18.404 0.000 -13.405) 22.768 8.038 ( 4.155 0.000 -3.778) 5.616 8.149 ( -5.866 0.000 -9.649) 11.292 8.202 ( 11.260 0.000 4.998) 12.320 8.269 ( 9.192 0.000 -8.815) 12.736 8.347 ( 7.784 0.000 -0.722) 7.818 8.616 ( -2.962 0.000 -0.436) 2.994 8.703 ( 2.445 0.000 7.848) 8.220 8.717 ( 1.991 0.000 10.889) 11.070 8.803 ( -3.291 0.000 9.646) 10.192 8.981 ( 8.233 0.000 -0.749) 8.267 9.022 ( 1.357 0.000 3.659) 3.903 9.304 ( -2.783 0.000 -2.429) 3.694 9.327 ( -2.871 0.000 3.868) 4.817 9.581 ( 8.021 0.000 3.376) 8.702 9.710 ( 8.206 0.000 -10.509) 13.334 9.876 ( -1.415 0.000 -0.279) 1.442 10.145 ( 3.774 0.000 -10.224) 10.899 10.213 ( -1.338 0.000 0.717) 1.518 10.357 ( 16.974 0.000 2.964) 17.231 10.363 ( 3.568 0.000 -5.558) 6.605 10.447 ( 8.233 0.000 1.252) 8.327 10.570 ( -0.355 0.000 -3.266) 3.285 10.589 ( -7.457 0.000 -3.648) 8.302 10.692 ( -3.436 0.000 -0.539) 3.478 10.911 ( -0.269 0.000 -3.499) 3.509 11.036 ( 4.099 0.000 3.601) 5.456 11.161 ( 1.713 0.000 -15.262) 15.358 11.311 ( -6.061 0.000 -4.797) 7.730 11.469 ( 3.220 0.000 2.501) 4.077 11.749 ( -4.206 0.000 -1.681) 4.529 12.210 ( -9.670 0.000 -27.585) 29.231 12.419 ( 3.717 0.000 -6.811) 7.759 12.610 ( -6.271 0.000 6.328) 8.909 12.754 ( 1.439 0.000 -4.316) 4.549 13.207 ( 2.461 0.000 0.700) 2.559 13.221 ( -11.002 0.000 -10.347) 15.103 13.383 ( -0.421 0.000 2.947) 2.977 13.636 ( -2.782 0.000 -5.413) 6.086 13.813 ( -5.008 0.000 0.516) 5.034 13.999 ( 2.460 0.000 -2.374) 3.419 14.178 ( -1.234 0.000 5.062) 5.210 14.368 ( 7.632 0.000 -2.143) 7.928 14.592 ( -0.559 0.000 -9.223) 9.240 14.707 ( -2.515 0.000 -6.224) 6.713 14.949 ( 0.657 0.000 0.636) 0.914 15.120 ( -1.966 0.000 -2.840) 3.454 15.199 ( -1.894 0.000 3.160) 3.684 15.284 ( 4.657 0.000 14.678) 15.399 15.320 ( 0.364 0.000 -0.411) 0.549 15.408 ( -0.493 0.000 6.599) 6.617 15.631 ( -1.264 0.000 13.732) 13.790 16.298 ( 1.850 0.000 -0.623) 1.953 16.577 ( -4.641 0.000 -3.544) 5.840 16.688 ( 3.117 0.000 10.205) 10.671 16.765 ( 0.599 0.000 6.506) 6.533 19.498 ( -0.322 0.000 -1.031) 1.080 19.567 ( -2.264 0.000 -1.745) 2.859 19.837 ( 4.163 0.000 -0.843) 4.247 20.018 ( -1.717 0.000 -1.340) 2.179 25.442 ( 3.621 0.000 1.246) 3.829 25.627 ( 1.569 0.000 -4.612) 4.872 25.760 ( -1.883 0.000 -0.048) 1.884 26.182 ( -14.811 0.000 -16.475) 22.154 27.126 ( 0.289 0.000 2.067) 2.087 27.189 ( -5.458 0.000 5.735) 7.917 27.228 ( 1.571 0.000 5.503) 5.723 27.343 ( -2.407 0.000 7.537) 7.912 27.401 ( -2.433 0.000 8.697) 9.031 27.419 ( -1.915 0.000 8.892) 9.096 27.470 ( 1.683 0.000 3.229) 3.641 27.582 ( -1.570 0.000 6.059) 6.259 27.644 ( 4.140 0.000 1.888) 4.550 27.741 ( 2.577 0.000 2.780) 3.791 27.968 ( 3.837 0.000 -3.671) 5.310 28.018 ( -3.392 0.000 -0.465) 3.424 28.067 ( 5.043 0.000 -6.013) 7.848 28.366 ( 12.723 0.000 -0.127) 12.724 28.407 ( 4.836 0.000 -4.015) 6.286 28.541 ( 5.051 0.000 1.792) 5.360 28.563 ( -4.258 0.000 -3.314) 5.396 28.658 ( -0.764 0.000 0.134) 0.775 28.720 ( -0.756 0.000 -2.279) 2.401 28.843 ( 3.273 0.000 1.437) 3.575 30.346 ( -1.730 0.000 1.503) 2.291 30.788 ( -8.018 0.000 -0.892) 8.067 31.136 ( -1.488 0.000 1.735) 2.286 31.353 ( -2.479 0.000 -2.017) 3.196 ======================= Grid point 27 (12/45) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.588 ( 31.176 0.000 13.887) 34.129 2.053 ( 32.657 0.000 17.051) 36.840 2.212 ( -22.703 0.000 8.143) 24.119 2.472 ( 18.989 0.000 -5.833) 19.865 2.581 ( -8.554 0.000 16.700) 18.763 2.610 ( 6.912 0.000 11.557) 13.466 2.797 ( 2.423 0.000 4.489) 5.101 2.809 ( 12.642 0.000 5.948) 13.971 2.826 ( 0.934 0.000 -1.050) 1.406 3.106 ( -3.317 0.000 21.857) 22.107 3.121 ( 1.035 0.000 3.628) 3.772 3.178 ( 16.042 0.000 9.959) 18.882 3.211 ( 7.075 0.000 -5.641) 9.048 3.314 ( -16.191 0.000 25.310) 30.046 3.420 ( 9.437 0.000 -6.776) 11.617 3.613 ( 22.287 0.000 9.292) 24.146 3.734 ( 2.547 0.000 -2.990) 3.928 3.908 ( 3.365 0.000 -5.010) 6.036 3.938 ( 11.072 0.000 -0.618) 11.089 4.064 ( 0.003 0.000 -4.284) 4.284 4.087 ( -14.086 0.000 0.676) 14.102 4.128 ( 6.334 0.000 6.600) 9.147 4.248 ( 9.534 0.000 5.490) 11.002 4.315 ( 2.557 0.000 2.132) 3.329 4.343 ( 1.344 0.000 5.516) 5.677 4.417 ( -3.617 0.000 -6.172) 7.154 4.453 ( -5.943 0.000 2.778) 6.560 4.489 ( -2.359 0.000 8.335) 8.662 4.494 ( -4.043 0.000 1.551) 4.330 4.619 ( -26.587 0.000 3.455) 26.810 4.763 ( 4.870 0.000 3.851) 6.208 4.858 ( 15.331 0.000 -5.132) 16.167 4.864 ( -1.706 0.000 -0.210) 1.719 4.929 ( -9.581 0.000 3.083) 10.065 5.042 ( -15.096 0.000 4.705) 15.812 5.117 ( 0.985 0.000 -12.547) 12.586 5.325 ( -4.507 0.000 -2.784) 5.297 5.353 ( 1.196 0.000 -5.268) 5.402 5.455 ( -3.674 0.000 -1.604) 4.009 5.475 ( -5.876 0.000 -1.852) 6.161 5.503 ( 2.778 0.000 2.420) 3.684 5.552 ( -1.045 0.000 -2.458) 2.671 5.599 ( -1.902 0.000 5.126) 5.468 5.667 ( 3.413 0.000 -0.176) 3.417 5.770 ( -13.460 0.000 2.131) 13.628 5.816 ( 6.058 0.000 8.556) 10.483 5.864 ( 8.626 0.000 10.203) 13.360 5.912 ( -15.353 0.000 -4.018) 15.869 6.056 ( -12.137 0.000 7.569) 14.303 6.070 ( -8.308 0.000 11.934) 14.541 6.318 ( 7.465 0.000 -1.027) 7.536 6.331 ( 0.590 0.000 -1.813) 1.906 6.392 ( 6.009 0.000 1.502) 6.194 6.416 ( -1.133 0.000 -1.256) 1.691 6.438 ( -0.688 0.000 1.262) 1.438 6.463 ( 1.538 0.000 -0.524) 1.625 6.504 ( -0.548 0.000 -0.374) 0.664 6.553 ( -5.392 0.000 5.768) 7.896 6.655 ( -0.651 0.000 5.914) 5.949 6.704 ( -2.142 0.000 2.557) 3.336 6.779 ( 8.722 0.000 2.065) 8.963 6.782 ( 4.989 0.000 5.730) 7.598 6.850 ( 1.624 0.000 2.127) 2.676 6.946 ( -7.270 0.000 -2.413) 7.660 7.047 ( -6.333 0.000 1.796) 6.583 7.107 ( -7.872 0.000 3.448) 8.594 7.120 ( -9.351 0.000 1.991) 9.561 7.121 ( -7.846 0.000 5.951) 9.847 7.932 ( 5.839 0.000 -7.002) 9.117 8.003 ( -3.795 0.000 -5.963) 7.069 8.270 ( 17.746 0.000 -10.335) 20.536 8.421 ( 5.097 0.000 -6.885) 8.566 8.459 ( 8.167 0.000 -0.070) 8.167 8.497 ( 4.619 0.000 -1.734) 4.934 8.547 ( -0.578 0.000 -0.451) 0.733 8.669 ( -5.278 0.000 3.957) 6.597 8.678 ( -5.275 0.000 5.197) 7.405 8.708 ( -9.942 0.000 -2.629) 10.283 9.095 ( 7.571 0.000 2.252) 7.898 9.133 ( 6.196 0.000 4.419) 7.610 9.237 ( -3.944 0.000 -0.407) 3.964 9.249 ( -4.557 0.000 6.981) 8.337 9.761 ( 8.253 0.000 4.746) 9.521 9.876 ( -1.298 0.000 3.829) 4.043 9.906 ( 9.466 0.000 -9.225) 13.218 10.097 ( -8.047 0.000 -3.593) 8.813 10.198 ( 1.635 0.000 -5.372) 5.615 10.297 ( -9.057 0.000 0.830) 9.095 10.483 ( 6.330 0.000 -4.469) 7.748 10.585 ( -1.391 0.000 -6.606) 6.751 10.672 ( 7.587 0.000 -7.087) 10.382 10.726 ( 9.863 0.000 -1.045) 9.918 10.791 ( 9.119 0.000 -5.881) 10.851 10.849 ( 1.367 0.000 -0.626) 1.504 10.958 ( -9.087 0.000 -4.149) 9.989 11.121 ( -11.615 0.000 -3.258) 12.064 11.363 ( 14.117 0.000 -9.653) 17.102 11.581 ( -1.039 0.000 -11.220) 11.268 11.692 ( 4.880 0.000 1.796) 5.200 11.951 ( -13.569 0.000 -22.736) 26.477 12.467 ( -0.910 0.000 -4.314) 4.409 12.496 ( -3.484 0.000 6.027) 6.961 12.776 ( 1.526 0.000 -1.643) 2.242 12.891 ( -11.835 0.000 2.899) 12.185 13.274 ( 3.544 0.000 0.329) 3.559 13.347 ( -2.943 0.000 1.102) 3.143 13.620 ( 1.958 0.000 -2.598) 3.253 13.703 ( -5.104 0.000 -0.584) 5.138 14.067 ( 3.608 0.000 0.037) 3.608 14.137 ( -2.698 0.000 2.757) 3.858 14.470 ( 2.980 0.000 -6.348) 7.013 14.551 ( -4.459 0.000 -8.565) 9.656 14.779 ( 9.859 0.000 -1.535) 9.978 14.996 ( -8.900 0.000 -0.348) 8.907 15.050 ( 5.864 0.000 -3.070) 6.619 15.147 ( -3.155 0.000 -1.817) 3.641 15.338 ( 1.221 0.000 3.988) 4.171 15.375 ( -2.112 0.000 7.944) 8.220 15.435 ( 7.743 0.000 11.267) 13.671 15.571 ( -4.623 0.000 12.080) 12.935 16.366 ( 4.175 0.000 -4.900) 6.437 16.467 ( -5.126 0.000 -5.024) 7.178 16.747 ( 2.117 0.000 10.360) 10.574 16.773 ( -0.257 0.000 8.218) 8.222 19.492 ( 0.126 0.000 -0.311) 0.336 19.514 ( -1.994 0.000 -0.360) 2.026 19.922 ( 3.456 0.000 -1.888) 3.938 19.980 ( -2.050 0.000 -1.619) 2.612 25.558 ( 6.852 0.000 0.366) 6.862 25.663 ( -0.197 0.000 -3.458) 3.464 25.719 ( 0.261 0.000 -1.858) 1.876 25.869 ( -12.486 0.000 -9.593) 15.746 27.127 ( -0.088 0.000 2.645) 2.647 27.134 ( -0.791 0.000 4.597) 4.664 27.265 ( 1.789 0.000 7.541) 7.750 27.302 ( -1.676 0.000 8.868) 9.025 27.369 ( -0.128 0.000 8.187) 8.188 27.387 ( -1.491 0.000 8.725) 8.852 27.505 ( 1.690 0.000 2.112) 2.705 27.544 ( -1.903 0.000 3.088) 3.627 27.762 ( 6.564 0.000 0.924) 6.628 27.818 ( 4.373 0.000 1.754) 4.711 27.906 ( -6.469 0.000 0.463) 6.486 27.915 ( -4.411 0.000 0.044) 4.411 28.250 ( 8.937 0.000 -3.221) 9.500 28.426 ( -7.081 0.000 -2.671) 7.568 28.532 ( 5.061 0.000 -4.256) 6.612 28.535 ( 4.568 0.000 -2.784) 5.349 28.609 ( -1.860 0.000 -0.326) 1.889 28.623 ( -2.931 0.000 -2.097) 3.604 28.812 ( 8.101 0.000 -1.311) 8.206 28.897 ( 0.411 0.000 0.559) 0.693 30.369 ( 5.299 0.000 1.339) 5.466 30.566 ( -11.507 0.000 0.132) 11.507 31.172 ( 3.892 0.000 -1.699) 4.247 31.270 ( -4.745 0.000 -2.102) 5.190 ======================= Grid point 30 (13/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 21.511 35.089) 41.158 1.387 ( 0.000 46.285 18.363) 49.795 1.579 ( 0.000 19.300 36.047) 40.888 1.803 ( 0.000 -1.038 6.075) 6.164 2.071 ( 0.000 -16.307 21.010) 26.596 2.246 ( 0.000 1.022 44.847) 44.859 2.410 ( 0.000 -4.218 13.611) 14.250 2.411 ( 0.000 1.521 -12.326) 12.419 2.526 ( 0.000 -0.556 3.891) 3.930 2.957 ( 0.000 -10.163 0.006) 10.163 3.259 ( 0.000 1.668 -0.243) 1.685 3.336 ( 0.000 -1.273 -5.357) 5.506 3.362 ( 0.000 3.617 24.613) 24.878 3.364 ( 0.000 7.428 6.392) 9.800 3.445 ( 0.000 -0.842 -1.506) 1.726 3.567 ( 0.000 -2.750 -0.288) 2.765 3.630 ( 0.000 2.126 11.598) 11.791 3.720 ( 0.000 2.249 2.887) 3.660 3.724 ( 0.000 2.844 2.659) 3.893 3.851 ( 0.000 2.812 14.816) 15.081 3.881 ( 0.000 -9.551 -0.122) 9.552 4.029 ( 0.000 -7.702 -5.827) 9.657 4.088 ( 0.000 4.603 9.975) 10.986 4.274 ( 0.000 5.785 7.469) 9.447 4.317 ( 0.000 -16.202 4.475) 16.809 4.432 ( 0.000 -3.061 7.896) 8.469 4.509 ( 0.000 1.299 2.616) 2.921 4.525 ( 0.000 -0.056 1.734) 1.735 4.550 ( 0.000 -2.801 3.886) 4.791 4.647 ( 0.000 1.113 0.450) 1.201 4.676 ( 0.000 -1.336 4.334) 4.535 4.825 ( 0.000 -6.052 7.954) 9.994 5.111 ( 0.000 -4.041 0.726) 4.106 5.233 ( 0.000 0.927 4.395) 4.491 5.242 ( 0.000 1.615 -8.089) 8.249 5.310 ( 0.000 -0.542 -4.983) 5.012 5.398 ( 0.000 -3.884 -0.260) 3.893 5.442 ( 0.000 -1.562 -10.581) 10.696 5.528 ( 0.000 -5.269 -1.572) 5.498 5.539 ( 0.000 -9.517 4.190) 10.399 5.565 ( 0.000 0.779 -1.435) 1.633 5.586 ( 0.000 -0.574 2.971) 3.026 5.616 ( 0.000 2.951 -1.797) 3.455 5.660 ( 0.000 -3.436 0.886) 3.549 5.902 ( 0.000 -9.571 -4.666) 10.648 5.942 ( 0.000 5.437 -4.887) 7.311 5.956 ( 0.000 -1.200 -1.204) 1.699 6.041 ( 0.000 1.803 0.450) 1.858 6.063 ( 0.000 -4.307 1.065) 4.436 6.193 ( 0.000 -0.593 -2.628) 2.694 6.217 ( 0.000 -2.287 -1.228) 2.596 6.285 ( 0.000 0.517 -1.857) 1.928 6.419 ( 0.000 4.130 0.616) 4.176 6.438 ( 0.000 1.156 2.627) 2.870 6.514 ( 0.000 -4.257 1.063) 4.387 6.580 ( 0.000 -5.273 0.354) 5.285 6.625 ( 0.000 2.584 -3.078) 4.019 6.631 ( 0.000 7.678 -3.594) 8.478 6.779 ( 0.000 7.368 -4.269) 8.515 6.791 ( 0.000 6.494 3.212) 7.244 6.799 ( 0.000 9.859 2.093) 10.079 6.970 ( 0.000 3.209 -0.147) 3.213 7.014 ( 0.000 -7.922 -0.597) 7.945 7.099 ( 0.000 -0.001 -1.255) 1.255 7.189 ( 0.000 -5.164 2.033) 5.550 7.408 ( 0.000 -2.042 -1.159) 2.348 7.488 ( 0.000 3.148 -0.838) 3.258 7.523 ( 0.000 -1.653 2.456) 2.961 7.743 ( 0.000 14.323 -4.572) 15.035 7.926 ( 0.000 -2.938 -4.634) 5.487 8.113 ( 0.000 2.163 -11.963) 12.157 8.146 ( 0.000 2.414 3.504) 4.255 8.305 ( 0.000 5.816 6.267) 8.550 8.314 ( 0.000 6.885 -12.393) 14.177 8.520 ( 0.000 -4.386 10.367) 11.257 8.595 ( 0.000 -4.789 -1.256) 4.951 8.686 ( 0.000 0.597 2.813) 2.876 8.890 ( 0.000 4.490 9.416) 10.432 8.982 ( 0.000 -5.935 5.032) 7.781 8.986 ( 0.000 9.083 15.468) 17.937 9.097 ( 0.000 -13.153 1.922) 13.293 9.347 ( 0.000 1.826 -1.361) 2.277 9.444 ( 0.000 -10.793 8.811) 13.933 9.668 ( 0.000 6.374 1.927) 6.659 9.813 ( 0.000 -20.536 -7.360) 21.815 9.985 ( 0.000 -10.060 1.596) 10.186 10.006 ( 0.000 6.491 7.265) 9.742 10.151 ( 0.000 1.797 -0.184) 1.806 10.315 ( 0.000 9.179 -1.177) 9.254 10.519 ( 0.000 5.833 1.602) 6.048 10.547 ( 0.000 -4.432 -4.721) 6.476 10.721 ( 0.000 4.764 0.862) 4.841 10.737 ( 0.000 0.085 2.917) 2.918 10.763 ( 0.000 -13.276 -4.601) 14.051 11.007 ( 0.000 0.777 2.751) 2.859 11.195 ( 0.000 -7.270 -3.087) 7.899 11.408 ( 0.000 5.501 -5.382) 7.696 11.517 ( 0.000 5.212 -1.652) 5.468 11.753 ( 0.000 -6.841 -0.457) 6.857 11.814 ( 0.000 -6.977 -11.877) 13.774 12.389 ( 0.000 -12.906 0.631) 12.921 12.448 ( 0.000 -5.949 -2.615) 6.499 12.602 ( 0.000 -0.117 -3.179) 3.181 13.031 ( 0.000 -14.507 -32.110) 35.236 13.677 ( 0.000 34.774 -1.105) 34.791 13.769 ( 0.000 8.067 -5.494) 9.760 13.826 ( 0.000 10.581 -6.410) 12.371 13.965 ( 0.000 5.160 1.261) 5.312 14.131 ( 0.000 -5.910 3.463) 6.850 14.274 ( 0.000 2.143 -0.239) 2.156 14.279 ( 0.000 8.166 -18.473) 20.198 14.711 ( 0.000 -3.839 -7.962) 8.840 14.876 ( 0.000 -16.008 0.468) 16.015 14.899 ( 0.000 10.270 -6.928) 12.388 15.099 ( 0.000 10.199 0.779) 10.229 15.219 ( 0.000 0.378 6.253) 6.264 15.285 ( 0.000 -2.568 -0.147) 2.573 15.318 ( 0.000 1.915 3.580) 4.060 15.474 ( 0.000 9.326 -1.943) 9.526 15.658 ( 0.000 1.330 11.899) 11.973 16.364 ( 0.000 7.004 4.868) 8.529 16.594 ( 0.000 -1.138 1.720) 2.062 16.641 ( 0.000 -2.502 4.485) 5.136 16.705 ( 0.000 -4.602 3.276) 5.649 19.539 ( 0.000 3.918 -2.455) 4.623 19.622 ( 0.000 4.646 0.574) 4.681 19.716 ( 0.000 -5.268 -0.097) 5.269 19.946 ( 0.000 -8.669 -1.077) 8.735 25.438 ( 0.000 3.341 0.884) 3.456 25.589 ( 0.000 -2.740 -3.252) 4.253 26.006 ( 0.000 14.999 -15.794) 21.781 26.338 ( 0.000 -3.801 -21.146) 21.485 27.139 ( 0.000 2.034 1.224) 2.374 27.199 ( 0.000 0.356 5.544) 5.555 27.361 ( 0.000 -2.991 -0.107) 2.993 27.375 ( 0.000 -2.912 7.483) 8.030 27.392 ( 0.000 4.635 0.506) 4.662 27.443 ( 0.000 0.473 8.984) 8.996 27.556 ( 0.000 -1.810 5.468) 5.760 27.573 ( 0.000 -1.221 5.480) 5.614 27.648 ( 0.000 2.369 4.543) 5.123 27.697 ( 0.000 1.012 0.360) 1.074 27.768 ( 0.000 4.481 0.592) 4.520 27.981 ( 0.000 -5.769 -4.110) 7.084 28.065 ( 0.000 3.263 -1.540) 3.608 28.282 ( 0.000 -5.995 -0.149) 5.997 28.287 ( 0.000 7.136 3.381) 7.896 28.506 ( 0.000 -0.816 -2.811) 2.927 28.625 ( 0.000 2.308 -0.216) 2.319 28.668 ( 0.000 -0.451 -1.251) 1.330 28.682 ( 0.000 -3.280 4.318) 5.422 28.774 ( 0.000 -2.673 1.347) 2.993 30.407 ( 0.000 3.452 3.499) 4.915 30.805 ( 0.000 -19.991 16.521) 25.934 30.976 ( 0.000 4.110 1.529) 4.385 31.298 ( 0.000 -6.672 -2.379) 7.084 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.390 ( 25.839 19.692 14.417) 35.542 1.575 ( 17.063 38.474 14.973) 44.672 1.956 ( 18.822 -6.248 -1.417) 19.882 2.170 ( 35.090 10.766 38.008) 52.837 2.292 ( 11.482 4.116 24.462) 27.335 2.413 ( 15.319 -7.518 11.601) 20.634 2.533 ( 14.355 0.112 10.073) 17.537 2.660 ( 12.023 -0.367 10.426) 15.918 2.695 ( 18.651 -0.982 -3.156) 18.941 2.896 ( -2.023 -10.832 3.084) 11.442 3.151 ( -10.921 6.318 0.491) 12.626 3.236 ( -5.248 0.200 17.293) 18.073 3.323 ( -2.759 6.716 7.457) 10.408 3.374 ( -2.038 -3.983 0.606) 4.515 3.436 ( -6.275 4.052 12.654) 14.694 3.565 ( -1.065 -2.253 3.953) 4.673 3.611 ( 3.721 0.396 2.869) 4.716 3.752 ( -5.507 1.432 9.973) 11.483 3.777 ( 8.847 -0.601 -0.617) 8.889 3.862 ( 4.217 -2.809 3.636) 6.236 3.936 ( 6.880 -11.224 -1.543) 13.255 4.015 ( -0.572 -2.245 -4.305) 4.888 4.165 ( 6.721 4.581 5.121) 9.611 4.263 ( 0.594 1.881 8.493) 8.719 4.391 ( 3.821 -9.386 2.523) 10.444 4.481 ( 0.420 -0.540 7.536) 7.566 4.504 ( 0.746 -1.784 0.868) 2.120 4.558 ( 2.570 -5.260 6.240) 8.556 4.575 ( 2.414 3.109 -1.117) 4.091 4.615 ( -1.375 2.217 -0.155) 2.614 4.649 ( -0.591 -1.669 0.528) 1.847 4.781 ( -2.506 -14.109 7.509) 16.178 5.022 ( -6.903 2.453 -1.744) 7.531 5.060 ( -10.033 -0.211 0.604) 10.053 5.254 ( -8.474 3.431 -10.522) 13.939 5.321 ( 1.493 -1.941 -4.841) 5.425 5.349 ( -2.263 -3.146 -2.525) 4.625 5.406 ( -5.042 -0.780 -3.254) 6.052 5.456 ( -0.248 -2.613 0.179) 2.631 5.512 ( -3.473 4.540 1.120) 5.824 5.600 ( -2.000 -0.262 -1.304) 2.402 5.618 ( -5.735 -1.407 3.536) 6.883 5.654 ( -0.506 -2.409 -1.484) 2.874 5.681 ( 4.175 0.708 4.120) 5.909 5.740 ( -5.782 2.685 1.787) 6.621 5.852 ( -2.198 0.908 -3.905) 4.572 5.989 ( 0.311 -5.307 -0.507) 5.340 6.020 ( 0.288 -4.334 -0.533) 4.376 6.129 ( -3.835 2.052 -0.828) 4.428 6.208 ( -4.116 -2.650 -0.357) 4.909 6.240 ( 0.303 -5.716 -0.083) 5.725 6.256 ( 0.404 -3.302 -2.957) 4.451 6.336 ( -1.107 2.200 -2.329) 3.389 6.382 ( -3.909 -3.638 2.363) 5.840 6.457 ( -2.269 -4.864 2.287) 5.834 6.482 ( -9.639 -1.411 2.643) 10.094 6.574 ( -7.263 -4.871 3.996) 9.615 6.633 ( -6.887 6.260 3.250) 9.858 6.670 ( 0.486 5.753 -0.641) 5.809 6.774 ( -1.138 5.841 0.324) 5.959 6.789 ( -7.689 2.284 2.605) 8.433 6.830 ( -0.785 8.306 4.419) 9.441 6.938 ( -8.872 5.172 1.629) 10.398 7.089 ( 0.094 -9.317 -0.974) 9.368 7.155 ( -2.365 0.267 0.520) 2.436 7.311 ( -6.486 -1.805 0.237) 6.737 7.379 ( -8.066 3.848 1.275) 9.027 7.402 ( -6.507 3.532 0.823) 7.449 7.786 ( 6.602 11.608 -6.414) 14.814 8.042 ( 6.612 -0.749 -3.342) 7.446 8.209 ( -4.851 5.430 -11.084) 13.262 8.250 ( 9.572 3.505 1.878) 10.365 8.286 ( 7.971 3.095 -8.178) 11.832 8.415 ( 8.504 6.836 1.796) 11.058 8.545 ( -4.260 -6.302 -2.136) 7.901 8.664 ( 5.244 -1.752 8.666) 10.279 8.758 ( 5.391 0.379 6.989) 8.835 8.864 ( -0.905 2.947 7.622) 8.222 8.944 ( 1.028 -1.450 2.717) 3.246 9.056 ( 2.274 2.424 2.733) 4.303 9.183 ( 2.861 -9.347 1.674) 9.918 9.325 ( 1.128 -0.317 -0.905) 1.480 9.467 ( -1.102 -5.355 6.965) 8.855 9.740 ( 7.270 -1.037 -3.938) 8.333 9.789 ( -1.242 -12.355 -6.202) 13.880 9.970 ( 2.930 -3.741 1.699) 5.046 10.068 ( 4.747 -13.792 1.795) 14.697 10.290 ( -5.628 -10.644 4.143) 12.733 10.404 ( 5.684 6.374 -3.221) 9.127 10.460 ( 12.758 8.302 -2.624) 15.446 10.621 ( 3.370 8.942 -0.028) 9.556 10.689 ( 5.308 4.766 -2.851) 7.683 10.775 ( 3.508 2.843 -3.516) 5.723 10.905 ( -1.623 8.068 -1.069) 8.299 11.064 ( 9.135 -5.279 -2.861) 10.932 11.272 ( 6.838 -6.029 -5.933) 10.877 11.333 ( -6.419 5.500 -5.475) 10.072 11.505 ( -3.375 7.241 -4.350) 9.096 11.682 ( -3.796 -5.988 -1.834) 7.323 11.901 ( 3.997 -18.571 -12.579) 22.784 12.304 ( -6.221 -3.773 -3.521) 8.083 12.412 ( -2.821 -13.515 -0.292) 13.809 12.546 ( -4.387 -5.196 2.187) 7.144 12.897 ( -12.948 -15.239 -18.621) 27.325 13.695 ( 1.133 29.128 -2.927) 29.296 13.732 ( -1.803 13.474 -4.171) 14.220 13.839 ( -0.278 10.857 -3.802) 11.506 13.937 ( -1.174 6.508 -1.580) 6.799 14.122 ( -1.163 -2.867 1.720) 3.540 14.176 ( -4.673 9.662 -7.249) 12.952 14.359 ( 4.324 -1.002 -1.303) 4.626 14.702 ( -3.593 1.415 -5.621) 6.820 14.806 ( -9.241 3.911 -8.875) 13.396 14.887 ( -7.047 -1.766 1.654) 7.451 14.980 ( 4.811 -2.827 3.181) 6.423 15.180 ( 1.360 0.259 7.372) 7.501 15.262 ( -2.753 -5.437 1.319) 6.235 15.331 ( 2.036 3.106 -0.307) 3.726 15.467 ( 0.137 4.604 5.521) 7.190 15.637 ( -2.097 -0.407 9.304) 9.546 16.387 ( 2.162 8.014 2.026) 8.544 16.569 ( -2.790 -0.506 -0.988) 3.003 16.668 ( 2.506 -1.872 8.199) 8.775 16.722 ( 0.810 -4.241 5.757) 7.196 19.539 ( -0.457 3.591 -2.413) 4.350 19.597 ( -2.342 3.887 -0.004) 4.538 19.744 ( 2.887 -7.434 0.306) 7.980 19.924 ( -1.622 -8.568 -0.945) 8.772 25.477 ( 3.671 3.317 0.460) 4.969 25.611 ( 2.142 -2.116 -3.616) 4.706 25.895 ( -7.380 10.722 -7.401) 14.973 26.159 ( -13.865 -2.668 -15.496) 20.964 27.143 ( 0.120 1.920 1.594) 2.498 27.185 ( -1.751 1.158 6.776) 7.094 27.285 ( -2.801 1.008 4.544) 5.432 27.314 ( -2.498 -3.358 5.321) 6.770 27.406 ( -1.388 2.057 5.710) 6.226 27.414 ( -1.439 0.989 8.912) 9.082 27.477 ( 0.227 0.381 4.920) 4.940 27.566 ( -1.584 -1.832 5.317) 5.842 27.657 ( 3.608 1.339 3.199) 5.005 27.730 ( 2.277 -1.285 3.564) 4.420 27.940 ( 2.594 -1.620 -2.883) 4.203 27.972 ( -2.501 -2.607 -1.070) 3.767 28.149 ( 6.388 5.649 -5.438) 10.114 28.360 ( 6.875 -4.069 -4.220) 9.035 28.418 ( 9.461 4.240 -0.252) 10.370 28.536 ( 2.295 -0.520 -2.815) 3.669 28.607 ( -1.603 3.641 -0.626) 4.027 28.659 ( 0.115 0.494 0.976) 1.100 28.712 ( 1.739 -0.870 0.011) 1.944 28.807 ( 2.841 -3.507 1.353) 4.712 30.396 ( -0.030 5.435 3.166) 6.290 30.842 ( -1.449 -3.074 1.798) 3.845 30.923 ( -0.766 -8.157 5.262) 9.737 31.265 ( -3.319 -8.092 -2.044) 8.982 ======================= Grid point 32 (15/45) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.921 ( 23.284 28.614 8.660) 37.893 2.139 ( 28.761 8.347 15.097) 33.538 2.361 ( -7.807 9.331 3.928) 12.784 2.487 ( 17.250 3.464 -5.213) 18.351 2.556 ( 2.180 -1.412 9.890) 10.225 2.690 ( -3.840 4.956 18.972) 19.982 2.757 ( 11.425 -0.231 4.867) 12.421 2.821 ( 3.995 1.503 -1.346) 4.475 2.906 ( -0.549 2.615 4.555) 5.281 2.997 ( 0.739 -6.504 10.782) 12.613 3.130 ( -4.046 -3.849 12.569) 13.754 3.160 ( 4.359 -0.663 1.840) 4.778 3.261 ( 8.823 6.403 14.291) 17.975 3.269 ( -6.181 -4.826 13.700) 15.786 3.428 ( 3.117 -0.018 4.996) 5.889 3.589 ( 16.023 2.170 4.769) 16.858 3.681 ( 5.434 -8.535 1.433) 10.219 3.875 ( 7.302 -5.250 0.301) 8.999 3.906 ( 4.597 -2.668 0.433) 5.333 3.968 ( 1.875 -2.519 -0.815) 3.245 3.988 ( -0.226 -6.632 1.883) 6.897 4.117 ( 2.563 -3.440 -1.891) 4.688 4.219 ( -5.322 -0.242 4.375) 6.894 4.312 ( 2.079 0.098 2.637) 3.359 4.361 ( -1.577 0.601 6.013) 6.245 4.416 ( -1.695 -2.619 1.520) 3.470 4.429 ( -7.545 -0.283 -5.037) 9.076 4.552 ( -5.294 -6.146 0.882) 8.160 4.585 ( 0.667 7.450 3.660) 8.327 4.683 ( -4.245 7.438 4.282) 9.576 4.749 ( 4.692 -0.558 3.459) 5.856 4.788 ( -0.381 -5.791 4.328) 7.239 4.839 ( 2.043 2.800 -2.005) 4.004 4.903 ( -3.470 0.889 1.783) 4.001 5.070 ( -5.700 5.239 0.257) 7.746 5.129 ( -0.246 -0.296 -6.248) 6.260 5.324 ( -1.020 -7.934 -2.256) 8.311 5.341 ( -1.940 -7.008 -4.514) 8.559 5.352 ( -8.954 -1.558 -3.239) 9.648 5.472 ( -5.397 -0.970 1.877) 5.796 5.510 ( 1.318 -0.326 -0.816) 1.584 5.585 ( -3.947 -1.045 -4.463) 6.049 5.605 ( -2.025 5.798 0.657) 6.177 5.673 ( 3.199 5.704 2.773) 7.103 5.754 ( -4.124 -0.578 4.587) 6.195 5.861 ( -3.647 -5.078 5.051) 8.038 5.889 ( -8.161 2.397 1.512) 8.639 5.922 ( 0.747 5.825 6.059) 8.438 6.043 ( -9.773 7.859 1.837) 12.674 6.088 ( -1.249 -5.001 3.866) 6.443 6.197 ( 3.378 -6.902 1.003) 7.750 6.233 ( -2.492 -4.460 5.692) 7.648 6.293 ( -2.078 -7.346 1.784) 7.840 6.303 ( -2.796 -7.434 -0.585) 7.964 6.371 ( -0.771 -5.763 3.594) 6.835 6.398 ( -2.917 -10.113 2.449) 10.806 6.521 ( -0.431 -5.287 4.015) 6.653 6.552 ( 2.004 -4.024 2.271) 5.036 6.589 ( -3.168 -3.486 5.370) 7.144 6.664 ( -3.489 0.327 2.417) 4.257 6.814 ( 1.893 9.563 1.535) 9.869 6.867 ( 3.262 3.593 0.428) 4.871 6.914 ( 2.512 8.214 -0.715) 8.619 7.011 ( -2.616 -0.314 1.890) 3.242 7.077 ( -3.623 6.186 1.792) 7.390 7.181 ( -8.583 7.666 1.712) 11.634 7.244 ( -1.164 7.127 2.008) 7.496 7.284 ( -3.828 7.853 2.324) 9.040 7.954 ( 5.501 3.456 -6.701) 9.333 8.053 ( -5.488 5.674 -8.063) 11.284 8.228 ( 10.147 -5.280 -9.825) 15.079 8.407 ( -5.377 -7.566 -8.057) 12.291 8.469 ( 10.321 4.697 -2.776) 11.674 8.531 ( 9.776 2.447 -0.516) 10.090 8.577 ( 4.709 7.854 0.754) 9.189 8.696 ( -1.425 3.224 3.645) 5.071 8.748 ( -7.281 4.273 3.560) 9.162 8.788 ( -6.834 5.524 0.043) 8.787 9.056 ( 5.240 -7.276 5.529) 10.534 9.112 ( 5.623 -2.196 2.156) 6.410 9.157 ( -1.592 -3.226 3.507) 5.024 9.287 ( -4.833 5.489 1.476) 7.461 9.597 ( 9.856 -13.440 3.358) 17.001 9.758 ( -3.498 -11.634 -0.877) 12.180 9.862 ( 4.333 -2.214 -2.145) 5.318 9.964 ( -5.451 -4.701 2.638) 7.667 10.138 ( 3.761 -12.469 -5.926) 14.309 10.204 ( -1.497 -9.146 -3.705) 9.981 10.571 ( 6.706 8.734 -3.004) 11.414 10.632 ( 1.071 8.357 -1.007) 8.486 10.728 ( 6.143 3.744 -2.712) 7.688 10.801 ( -2.720 4.635 -0.224) 5.379 10.879 ( 7.130 12.335 -6.068) 15.486 10.957 ( 12.879 13.675 -7.410) 20.193 11.139 ( -9.266 8.993 -5.546) 14.053 11.288 ( -7.439 7.990 -7.141) 13.045 11.309 ( 8.366 -2.300 -3.836) 9.486 11.489 ( 1.865 -8.996 -14.068) 16.803 11.611 ( 2.165 -8.135 0.886) 8.465 11.841 ( -10.237 -12.451 -21.149) 26.591 12.261 ( 2.664 -11.778 1.190) 12.134 12.338 ( -3.648 -14.161 2.572) 14.848 12.467 ( -1.707 -13.416 5.325) 14.534 12.566 ( -12.980 -15.109 0.741) 19.933 13.705 ( 1.568 11.005 -3.330) 11.604 13.747 ( 0.013 23.848 -3.817) 24.152 13.816 ( 0.477 18.354 -1.285) 18.405 13.888 ( -4.299 23.337 -4.275) 24.111 14.092 ( 0.229 2.619 -0.976) 2.804 14.118 ( -1.540 -1.944 0.680) 2.572 14.480 ( 6.080 -0.143 1.368) 6.234 14.599 ( -4.886 0.673 -2.387) 5.480 14.667 ( 0.310 0.541 -5.653) 5.688 14.780 ( -6.828 -14.059 -3.333) 15.981 15.087 ( 4.968 -10.183 4.949) 12.364 15.186 ( -4.043 -8.058 2.027) 9.240 15.274 ( 5.593 5.481 3.725) 8.672 15.352 ( -1.034 5.954 0.216) 6.047 15.498 ( 2.832 1.567 4.582) 5.610 15.574 ( -3.701 -1.315 6.305) 7.428 16.444 ( 2.888 7.239 -0.632) 7.819 16.506 ( -2.949 4.061 -1.260) 5.174 16.711 ( 1.452 -3.663 9.099) 9.915 16.729 ( -0.219 -4.498 7.545) 8.787 19.529 ( 0.019 3.660 -0.765) 3.739 19.549 ( -1.749 4.318 0.325) 4.670 19.817 ( 3.470 -9.424 -0.784) 10.074 19.881 ( -2.482 -9.206 -1.069) 9.595 25.594 ( 7.067 3.225 -0.623) 7.793 25.681 ( 4.137 0.014 -5.200) 6.645 25.752 ( -5.673 4.033 -1.906) 7.216 25.864 ( -11.952 -0.697 -8.715) 14.809 27.142 ( 0.098 1.867 2.830) 3.392 27.154 ( -0.923 2.113 4.820) 5.343 27.273 ( 0.308 -1.380 6.660) 6.808 27.282 ( -0.700 -3.030 6.704) 7.391 27.380 ( -0.309 2.374 7.087) 7.480 27.391 ( -1.085 2.210 7.994) 8.364 27.496 ( 1.288 -1.257 3.638) 4.059 27.530 ( -1.745 -1.822 3.696) 4.475 27.761 ( 5.781 0.114 1.817) 6.061 27.803 ( 4.202 -1.423 2.354) 5.022 27.886 ( -5.189 -1.390 0.998) 5.464 27.898 ( -4.160 -1.553 0.670) 4.490 28.302 ( 7.391 4.824 -3.633) 9.545 28.445 ( -4.953 2.248 -3.236) 6.329 28.496 ( 5.123 -3.456 -4.406) 7.590 28.586 ( -1.617 -2.307 -2.764) 3.946 28.607 ( 2.297 5.213 -1.931) 6.015 28.657 ( -0.929 4.290 -0.609) 4.431 28.798 ( 5.770 -1.711 -1.379) 6.174 28.858 ( 0.617 -3.960 0.268) 4.017 30.461 ( 6.826 9.376 1.764) 11.731 30.666 ( -10.897 9.883 -0.129) 14.711 31.021 ( 6.466 -14.222 0.167) 15.624 31.160 ( -6.134 -10.631 -1.717) 12.394 ======================= Grid point 35 (16/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 -24.578 24.296) 34.560 1.630 ( 0.000 24.578 24.296) 34.560 1.710 ( 0.000 -8.437 27.723) 28.979 1.710 ( 0.000 8.437 27.723) 28.979 2.268 ( 0.000 -4.687 22.355) 22.841 2.268 ( 0.000 4.687 22.355) 22.841 2.439 ( 0.000 -4.904 -11.536) 12.535 2.439 ( 0.000 4.904 -11.536) 12.535 2.556 ( 0.000 -23.200 8.552) 24.726 2.556 ( 0.000 23.200 8.552) 24.726 3.295 ( 0.000 -1.558 3.065) 3.438 3.295 ( 0.000 1.558 3.065) 3.438 3.454 ( 0.000 -1.646 13.454) 13.554 3.454 ( 0.000 1.646 13.454) 13.554 3.538 ( 0.000 -4.865 6.185) 7.869 3.538 ( 0.000 4.865 6.185) 7.869 3.593 ( 0.000 -15.134 3.324) 15.494 3.593 ( 0.000 15.134 3.324) 15.494 3.793 ( 0.000 -7.822 1.942) 8.059 3.793 ( 0.000 7.822 1.942) 8.059 3.873 ( 0.000 -5.150 8.985) 10.356 3.873 ( 0.000 5.150 8.985) 10.356 4.173 ( 0.000 -3.678 1.965) 4.170 4.173 ( 0.000 3.678 1.965) 4.170 4.346 ( 0.000 -3.942 4.772) 6.189 4.346 ( 0.000 3.942 4.772) 6.189 4.505 ( 0.000 -1.928 8.586) 8.799 4.505 ( 0.000 1.928 8.586) 8.799 4.646 ( 0.000 -4.504 2.011) 4.932 4.646 ( 0.000 4.504 2.011) 4.932 4.681 ( 0.000 -4.997 4.344) 6.621 4.681 ( 0.000 4.997 4.344) 6.621 5.148 ( 0.000 -4.393 -4.208) 6.083 5.148 ( 0.000 4.393 -4.208) 6.083 5.325 ( 0.000 -6.521 0.450) 6.537 5.325 ( 0.000 6.521 0.450) 6.537 5.399 ( 0.000 -0.283 -6.775) 6.780 5.399 ( 0.000 0.283 -6.775) 6.780 5.437 ( 0.000 -2.786 -0.680) 2.868 5.437 ( 0.000 2.786 -0.680) 2.868 5.527 ( 0.000 -1.389 -3.469) 3.737 5.527 ( 0.000 1.389 -3.469) 3.737 5.723 ( 0.000 -5.457 -0.538) 5.483 5.723 ( 0.000 5.457 -0.538) 5.483 5.802 ( 0.000 -9.801 -1.792) 9.964 5.802 ( 0.000 9.801 -1.792) 9.964 6.048 ( 0.000 -2.889 2.342) 3.719 6.048 ( 0.000 2.889 2.342) 3.719 6.128 ( 0.000 -4.976 -2.141) 5.417 6.128 ( 0.000 4.976 -2.141) 5.417 6.231 ( 0.000 -6.467 -0.211) 6.470 6.231 ( 0.000 6.467 -0.211) 6.470 6.429 ( 0.000 -0.512 0.544) 0.747 6.429 ( 0.000 0.512 0.544) 0.747 6.493 ( 0.000 -1.834 -0.921) 2.052 6.493 ( 0.000 1.834 -0.921) 2.052 6.666 ( 0.000 -0.787 -2.308) 2.438 6.666 ( 0.000 0.787 -2.308) 2.438 6.819 ( 0.000 -0.222 -3.203) 3.211 6.819 ( 0.000 0.222 -3.203) 3.211 6.956 ( 0.000 -6.025 5.174) 7.941 6.956 ( 0.000 6.025 5.174) 7.941 7.095 ( 0.000 -0.802 -1.839) 2.006 7.095 ( 0.000 0.802 -1.839) 2.006 7.250 ( 0.000 -14.694 1.791) 14.803 7.250 ( 0.000 14.694 1.791) 14.803 7.515 ( 0.000 -0.601 -0.295) 0.669 7.515 ( 0.000 0.601 -0.295) 0.669 7.881 ( 0.000 -2.450 -5.831) 6.324 7.881 ( 0.000 2.450 -5.831) 6.324 8.173 ( 0.000 -1.562 -3.798) 4.107 8.173 ( 0.000 1.562 -3.798) 4.107 8.420 ( 0.000 -5.508 7.924) 9.650 8.420 ( 0.000 5.508 7.924) 9.650 8.473 ( 0.000 -7.994 -6.196) 10.114 8.473 ( 0.000 7.994 -6.196) 10.114 8.756 ( 0.000 -8.881 0.123) 8.882 8.756 ( 0.000 8.881 0.123) 8.882 8.991 ( 0.000 -4.697 8.517) 9.727 8.991 ( 0.000 4.697 8.517) 9.727 9.190 ( 0.000 -12.327 16.792) 20.830 9.190 ( 0.000 12.327 16.792) 20.830 9.480 ( 0.000 -12.973 -5.347) 14.032 9.480 ( 0.000 12.973 -5.347) 14.032 9.823 ( 0.000 -8.728 -1.627) 8.878 9.823 ( 0.000 8.728 -1.627) 8.878 10.162 ( 0.000 -5.089 4.891) 7.058 10.162 ( 0.000 5.089 4.891) 7.058 10.448 ( 0.000 -4.770 3.194) 5.741 10.448 ( 0.000 4.770 3.194) 5.741 10.530 ( 0.000 -8.536 -3.800) 9.344 10.530 ( 0.000 8.536 -3.800) 9.344 10.880 ( 0.000 -10.305 2.774) 10.671 10.880 ( 0.000 10.305 2.774) 10.671 10.958 ( 0.000 -14.580 -4.572) 15.280 10.958 ( 0.000 14.580 -4.572) 15.280 11.556 ( 0.000 -8.085 -4.004) 9.022 11.556 ( 0.000 8.085 -4.004) 9.022 11.712 ( 0.000 -7.386 -4.425) 8.610 11.712 ( 0.000 7.386 -4.425) 8.610 12.330 ( 0.000 -4.425 0.180) 4.429 12.330 ( 0.000 4.425 0.180) 4.429 12.740 ( 0.000 -13.581 -25.509) 28.899 12.740 ( 0.000 13.581 -25.509) 28.899 13.917 ( 0.000 -4.069 -2.571) 4.813 13.917 ( 0.000 4.069 -2.571) 4.813 14.023 ( 0.000 -1.970 0.080) 1.971 14.023 ( 0.000 1.970 0.080) 1.971 14.275 ( 0.000 -11.764 -6.259) 13.326 14.275 ( 0.000 11.764 -6.259) 13.326 14.359 ( 0.000 -17.673 -2.531) 17.853 14.359 ( 0.000 17.673 -2.531) 17.853 14.836 ( 0.000 -6.463 3.391) 7.299 14.836 ( 0.000 6.463 3.391) 7.299 15.217 ( 0.000 -3.807 1.336) 4.035 15.217 ( 0.000 3.807 1.336) 4.035 15.302 ( 0.000 -3.607 -2.392) 4.328 15.302 ( 0.000 3.607 -2.392) 4.328 15.646 ( 0.000 -4.526 4.299) 6.242 15.646 ( 0.000 4.526 4.299) 6.242 16.510 ( 0.000 -7.125 3.847) 8.097 16.510 ( 0.000 7.125 3.847) 8.097 16.636 ( 0.000 -2.032 2.671) 3.356 16.636 ( 0.000 2.032 2.671) 3.356 19.621 ( 0.000 -4.565 -2.717) 5.312 19.621 ( 0.000 4.565 -2.717) 5.312 19.763 ( 0.000 -9.474 -0.009) 9.474 19.763 ( 0.000 9.474 -0.009) 9.474 25.516 ( 0.000 -4.416 -1.097) 4.550 25.516 ( 0.000 4.416 -1.097) 4.550 26.225 ( 0.000 -8.241 -19.503) 21.173 26.225 ( 0.000 8.241 -19.503) 21.173 27.191 ( 0.000 -2.354 2.062) 3.130 27.191 ( 0.000 2.354 2.062) 3.130 27.326 ( 0.000 -0.994 4.934) 5.034 27.326 ( 0.000 0.994 4.934) 5.034 27.443 ( 0.000 -0.889 6.047) 6.112 27.443 ( 0.000 0.889 6.047) 6.112 27.552 ( 0.000 -0.855 4.644) 4.722 27.552 ( 0.000 0.855 4.644) 4.722 27.688 ( 0.000 -1.509 3.358) 3.682 27.688 ( 0.000 1.509 3.358) 3.682 27.871 ( 0.000 -5.701 -3.976) 6.950 27.871 ( 0.000 5.701 -3.976) 6.950 28.157 ( 0.000 -6.207 0.299) 6.214 28.157 ( 0.000 6.207 0.299) 6.214 28.423 ( 0.000 -6.596 1.768) 6.829 28.423 ( 0.000 6.596 1.768) 6.829 28.659 ( 0.000 -0.233 1.023) 1.049 28.659 ( 0.000 0.233 1.023) 1.049 28.702 ( 0.000 -4.558 1.292) 4.737 28.702 ( 0.000 4.558 1.292) 4.737 30.521 ( 0.000 -9.275 10.667) 14.135 30.521 ( 0.000 9.275 10.667) 14.135 31.134 ( 0.000 -9.647 -1.644) 9.786 31.134 ( 0.000 9.647 -1.644) 9.786 ======================= Grid point 37 (17/45) ======================= q-point: ( 0.20 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.727 ( 21.373 -16.224 8.289) 28.085 1.727 ( 21.373 16.224 8.289) 28.085 2.188 ( 19.456 -17.998 25.518) 36.792 2.188 ( 19.456 17.998 25.518) 36.792 2.415 ( 16.399 -5.700 15.141) 23.036 2.415 ( 16.399 5.700 15.141) 23.036 2.529 ( 7.862 -17.990 1.042) 19.660 2.529 ( 7.862 17.990 1.042) 19.660 2.713 ( 14.388 -4.449 2.064) 15.201 2.713 ( 14.388 4.449 2.064) 15.201 3.256 ( -3.313 -5.903 5.925) 8.996 3.256 ( -3.313 5.903 5.925) 8.996 3.355 ( -6.988 -9.251 11.383) 16.248 3.355 ( -6.988 9.251 11.383) 16.248 3.530 ( -0.565 -13.176 12.532) 18.193 3.530 ( -0.565 13.176 12.532) 18.193 3.660 ( 2.052 -6.680 4.363) 8.238 3.660 ( 2.052 6.680 4.363) 8.238 3.774 ( -2.643 -7.193 3.592) 8.463 3.774 ( -2.643 7.193 3.592) 8.463 3.886 ( 5.578 -7.718 -1.371) 9.621 3.886 ( 5.578 7.718 -1.371) 9.621 4.242 ( 4.505 -3.602 3.589) 6.793 4.242 ( 4.505 3.602 3.589) 6.793 4.363 ( 0.682 -7.261 3.939) 8.289 4.363 ( 0.682 7.261 3.939) 8.289 4.510 ( 0.251 -2.842 9.063) 9.501 4.510 ( 0.251 2.842 9.063) 9.501 4.606 ( -1.166 -0.629 -0.650) 1.476 4.606 ( -1.166 0.629 -0.650) 1.476 4.669 ( 0.447 -1.349 1.483) 2.055 4.669 ( 0.447 1.349 1.483) 2.055 5.114 ( -3.333 -1.721 -3.661) 5.242 5.114 ( -3.333 1.721 -3.661) 5.242 5.229 ( -5.022 -5.735 1.039) 7.694 5.229 ( -5.022 5.735 1.039) 7.694 5.326 ( -7.021 -4.187 -10.867) 13.599 5.326 ( -7.021 4.187 -10.867) 13.599 5.540 ( 2.438 -6.530 -2.158) 7.297 5.540 ( 2.438 6.530 -2.158) 7.297 5.590 ( 2.270 -1.118 0.115) 2.533 5.590 ( 2.270 1.118 0.115) 2.533 5.666 ( -4.092 -4.171 2.709) 6.441 5.666 ( -4.092 4.171 2.709) 6.441 5.798 ( 0.497 -5.243 1.336) 5.434 5.798 ( 0.497 5.243 1.336) 5.434 6.027 ( -1.096 -10.481 -3.088) 10.981 6.027 ( -1.096 10.481 -3.088) 10.981 6.120 ( -1.094 -6.442 0.515) 6.554 6.120 ( -1.094 6.442 0.515) 6.554 6.210 ( -3.749 -3.464 -0.353) 5.116 6.210 ( -3.749 3.464 -0.353) 5.116 6.284 ( -6.588 -4.255 0.333) 7.850 6.284 ( -6.588 4.255 0.333) 7.850 6.426 ( -5.777 -3.476 4.394) 8.048 6.426 ( -5.777 3.476 4.394) 8.048 6.654 ( -8.118 -5.634 1.685) 10.024 6.654 ( -8.118 5.634 1.685) 10.024 6.752 ( -9.515 -3.698 3.119) 10.674 6.752 ( -9.515 3.698 3.119) 10.674 6.858 ( 1.438 -5.600 -1.404) 5.949 6.858 ( 1.438 5.600 -1.404) 5.949 7.061 ( -3.257 -1.537 0.989) 3.735 7.061 ( -3.257 1.537 0.989) 3.735 7.203 ( -0.980 -8.568 1.274) 8.718 7.203 ( -0.980 8.568 1.274) 8.718 7.431 ( -5.445 -0.973 -1.114) 5.642 7.431 ( -5.445 0.973 -1.114) 5.642 7.963 ( 5.352 -7.000 -3.732) 9.570 7.963 ( 5.352 7.000 -3.732) 9.570 8.298 ( 8.668 -0.230 -4.081) 9.583 8.298 ( 8.668 0.230 -4.081) 9.583 8.392 ( -5.273 -8.649 -8.326) 13.112 8.392 ( -5.273 8.649 -8.326) 13.112 8.578 ( 10.956 -7.957 7.289) 15.378 8.578 ( 10.956 7.957 7.289) 15.378 8.789 ( 2.087 -6.092 1.443) 6.599 8.789 ( 2.087 6.092 1.443) 6.599 8.997 ( 0.543 -5.890 3.330) 6.788 8.997 ( 0.543 5.890 3.330) 6.788 9.226 ( 1.559 -7.978 9.298) 12.351 9.226 ( 1.559 7.978 9.298) 12.351 9.514 ( 2.801 -10.015 -2.265) 10.643 9.514 ( 2.801 10.015 -2.265) 10.643 9.827 ( 1.507 -8.306 0.845) 8.484 9.827 ( 1.507 8.306 0.845) 8.484 10.072 ( -4.657 -9.045 4.098) 10.968 10.072 ( -4.657 9.045 4.098) 10.968 10.549 ( 6.464 -4.616 -6.137) 10.037 10.549 ( 6.464 4.616 -6.137) 10.037 10.709 ( 12.678 -3.638 -2.300) 13.389 10.709 ( 12.678 3.638 -2.300) 13.389 10.924 ( 4.575 -7.204 2.680) 8.945 10.924 ( 4.575 7.204 2.680) 8.945 11.050 ( 7.630 -11.873 -5.065) 14.995 11.050 ( 7.630 11.873 -5.065) 14.995 11.492 ( -5.867 -8.803 -4.084) 11.340 11.492 ( -5.867 8.803 -4.084) 11.340 11.678 ( -2.938 -7.858 -5.192) 9.867 11.678 ( -2.938 7.858 -5.192) 9.867 12.285 ( -3.675 -3.635 0.104) 5.170 12.285 ( -3.675 3.635 0.104) 5.170 12.612 ( -11.578 -12.423 -16.815) 23.899 12.612 ( -11.578 12.423 -16.815) 23.899 13.896 ( -0.807 -7.595 -3.010) 8.210 13.896 ( -0.807 7.595 -3.010) 8.210 14.014 ( -1.066 -5.586 -0.159) 5.689 14.014 ( -1.066 5.586 -0.159) 5.689 14.251 ( -0.236 -8.965 -5.426) 10.482 14.251 ( -0.236 8.965 -5.426) 10.482 14.412 ( 2.715 -19.010 -2.573) 19.374 14.412 ( 2.715 19.010 -2.573) 19.374 14.809 ( -2.354 -9.660 4.611) 10.960 14.809 ( -2.354 9.660 4.611) 10.960 15.126 ( -10.280 -8.546 1.299) 13.431 15.126 ( -10.280 8.546 1.299) 13.431 15.315 ( 4.253 -5.670 -2.939) 7.673 15.315 ( 4.253 5.670 -2.939) 7.673 15.576 ( -3.823 -5.947 4.290) 8.270 15.576 ( -3.823 5.947 4.290) 8.270 16.536 ( 2.001 -5.289 4.460) 7.202 16.536 ( 2.001 5.289 4.460) 7.202 16.645 ( 0.228 -1.268 3.948) 4.153 16.645 ( 0.228 1.268 3.948) 4.153 19.615 ( -0.041 -4.808 -1.413) 5.012 19.615 ( -0.041 4.808 -1.413) 5.012 19.739 ( -1.959 -9.470 0.017) 9.671 19.739 ( -1.959 9.470 0.017) 9.671 25.551 ( 3.216 -3.929 -1.521) 5.301 25.551 ( 3.216 3.929 -1.521) 5.301 26.070 ( -11.577 -6.878 -12.913) 18.657 26.070 ( -11.577 6.878 -12.913) 18.657 27.197 ( 0.355 -2.517 2.623) 3.653 27.197 ( 0.355 2.517 2.623) 3.653 27.260 ( -3.660 -1.253 6.472) 7.540 27.260 ( -3.660 1.253 6.472) 7.540 27.439 ( -0.052 -0.857 5.957) 6.018 27.439 ( -0.052 0.857 5.957) 6.018 27.513 ( -2.254 -3.514 4.680) 6.271 27.513 ( -2.254 3.514 4.680) 6.271 27.693 ( 2.356 -2.251 4.158) 5.283 27.693 ( 2.356 2.251 4.158) 5.283 27.934 ( -0.213 -1.022 -1.537) 1.859 27.934 ( -0.213 1.022 -1.537) 1.859 28.260 ( 7.526 -5.839 -5.100) 10.805 28.260 ( 7.526 5.839 -5.100) 10.805 28.500 ( 4.995 -3.443 -1.982) 6.382 28.500 ( 4.995 3.443 -1.982) 6.382 28.663 ( 0.717 -1.699 0.055) 1.845 28.663 ( 0.717 1.699 0.055) 1.845 28.727 ( 2.370 -3.948 1.874) 4.972 28.727 ( 2.370 3.948 1.874) 4.972 30.566 ( 4.387 -12.712 7.237) 15.271 30.566 ( 4.387 12.712 7.237) 15.271 31.073 ( -5.561 -11.051 -1.497) 12.461 31.073 ( -5.561 11.051 -1.497) 12.461 ======================= Grid point 39 (18/45) ======================= q-point: ( 0.40 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.293 ( 23.277 -6.332 2.058) 24.211 2.293 ( 23.277 6.332 2.058) 24.211 2.456 ( 8.581 -11.387 9.988) 17.409 2.456 ( 8.581 11.387 9.988) 17.409 2.659 ( 7.673 -11.039 5.347) 14.469 2.659 ( 7.673 11.039 5.347) 14.469 2.795 ( 4.189 -2.014 0.544) 4.679 2.795 ( 4.189 2.014 0.544) 4.679 2.932 ( 2.693 -10.532 5.843) 12.341 2.932 ( 2.693 10.532 5.843) 12.341 3.086 ( -10.060 -8.041 18.294) 22.373 3.086 ( -10.060 8.041 18.294) 22.373 3.325 ( 4.129 -7.618 6.940) 11.102 3.325 ( 4.129 7.618 6.940) 11.102 3.454 ( -5.689 -8.884 12.187) 16.119 3.454 ( -5.689 8.884 12.187) 16.119 3.747 ( 10.367 -10.493 1.532) 14.829 3.747 ( 10.367 10.493 1.532) 14.829 3.867 ( 5.561 -2.140 1.276) 6.093 3.867 ( 5.561 2.140 1.276) 6.093 4.024 ( 8.497 -4.401 -2.187) 9.816 4.024 ( 8.497 4.401 -2.187) 9.816 4.275 ( -4.514 -5.565 8.458) 11.085 4.275 ( -4.514 5.565 8.458) 11.085 4.355 ( -2.053 -2.446 -0.433) 3.223 4.355 ( -2.053 2.446 -0.433) 3.223 4.424 ( -6.333 -3.101 -0.534) 7.072 4.424 ( -6.333 3.101 -0.534) 7.072 4.663 ( 6.157 -1.386 3.690) 7.311 4.663 ( 6.157 1.386 3.690) 7.311 4.791 ( 6.388 -2.646 1.893) 7.169 4.791 ( 6.388 2.646 1.893) 7.169 4.985 ( -4.594 -7.793 1.817) 9.227 4.985 ( -4.594 7.793 1.817) 9.227 5.116 ( -5.946 -10.350 -3.233) 12.367 5.116 ( -5.946 10.350 -3.233) 12.367 5.176 ( -0.338 -6.403 -5.116) 8.202 5.176 ( -0.338 6.403 -5.116) 8.202 5.399 ( -15.472 -5.986 0.615) 16.601 5.399 ( -15.472 5.986 0.615) 16.601 5.574 ( 0.734 -4.464 -1.861) 4.892 5.574 ( 0.734 4.464 -1.861) 4.892 5.621 ( -3.426 -6.647 0.884) 7.530 5.621 ( -3.426 6.647 0.884) 7.530 5.846 ( 5.305 -9.906 3.030) 11.638 5.846 ( 5.305 9.906 3.030) 11.638 5.988 ( -6.861 -4.080 1.257) 8.081 5.988 ( -6.861 4.080 1.257) 8.081 6.076 ( 1.477 -9.072 0.390) 9.200 6.076 ( 1.477 9.072 0.390) 9.200 6.149 ( -2.053 -7.576 3.824) 8.731 6.149 ( -2.053 7.576 3.824) 8.731 6.215 ( 0.034 -4.433 1.958) 4.846 6.215 ( 0.034 4.433 1.958) 4.846 6.264 ( -9.571 -3.671 6.085) 11.921 6.264 ( -9.571 3.671 6.085) 11.921 6.475 ( 2.579 -1.857 4.726) 5.695 6.475 ( 2.579 1.857 4.726) 5.695 6.612 ( -7.186 -3.746 3.665) 8.895 6.612 ( -7.186 3.746 3.665) 8.895 6.925 ( 3.077 -0.369 -1.350) 3.380 6.925 ( 3.077 0.369 -1.350) 3.380 6.987 ( -3.066 -2.120 0.457) 3.755 6.987 ( -3.066 2.120 0.457) 3.755 7.235 ( 3.178 -6.627 2.249) 7.686 7.235 ( 3.178 6.627 2.249) 7.686 7.321 ( -4.689 -3.481 0.731) 5.885 7.321 ( -4.689 3.481 0.731) 5.885 8.081 ( 5.876 -8.649 -7.398) 12.808 8.081 ( 5.876 8.649 -7.398) 12.808 8.221 ( -7.281 -10.562 -10.567) 16.620 8.221 ( -7.281 10.562 -10.567) 16.620 8.550 ( 11.306 -2.170 -1.750) 11.644 8.550 ( 11.306 2.170 -1.750) 11.644 8.727 ( -2.280 -4.732 1.901) 5.586 8.727 ( -2.280 4.732 1.901) 5.586 8.826 ( 4.989 -8.378 4.005) 10.542 8.826 ( 4.989 8.378 4.005) 10.542 8.956 ( -5.375 -6.376 1.567) 8.485 8.956 ( -5.375 6.376 1.567) 8.485 9.312 ( 8.078 -12.607 3.962) 15.488 9.312 ( 8.078 12.607 3.962) 15.488 9.492 ( -6.304 -12.965 2.425) 14.619 9.492 ( -6.304 12.965 2.425) 14.619 9.918 ( 5.870 -7.076 -1.590) 9.330 9.918 ( 5.870 7.076 -1.590) 9.330 10.007 ( -2.380 -8.240 -1.129) 8.650 10.007 ( -2.380 8.240 -1.129) 8.650 10.716 ( 8.087 -4.432 -4.218) 10.141 10.716 ( 8.087 4.432 -4.218) 10.141 10.831 ( -1.326 -4.754 -1.558) 5.175 10.831 ( -1.326 4.754 -1.558) 5.175 11.106 ( 9.666 -12.333 -2.558) 15.877 11.106 ( 9.666 12.333 -2.558) 15.877 11.251 ( 6.865 -13.264 -12.420) 19.425 11.251 ( 6.865 13.264 -12.420) 19.425 11.341 ( -2.545 -8.869 -2.595) 9.585 11.341 ( -2.545 8.869 -2.595) 9.585 11.563 ( -9.433 -11.000 -9.276) 17.206 11.563 ( -9.433 11.000 -9.276) 17.206 12.223 ( -0.156 -1.819 1.652) 2.463 12.223 ( -0.156 1.819 1.652) 2.463 12.338 ( -10.833 -5.212 -0.771) 12.047 12.338 ( -10.833 5.212 -0.771) 12.047 13.916 ( 2.443 -10.002 -2.514) 10.599 13.916 ( 2.443 10.002 -2.514) 10.599 13.974 ( -2.529 -8.373 -1.292) 8.841 13.974 ( -2.529 8.373 -1.292) 8.841 14.294 ( 4.117 -9.672 -4.263) 11.343 14.294 ( 4.117 9.672 -4.263) 11.343 14.400 ( -4.324 -12.903 -3.181) 13.975 14.400 ( -4.324 12.903 -3.181) 13.975 14.796 ( 2.861 -14.749 4.386) 15.651 14.796 ( 2.861 14.749 4.386) 15.651 14.919 ( -7.928 -16.454 1.831) 18.356 14.919 ( -7.928 16.454 1.831) 18.356 15.424 ( 4.963 -3.120 -1.094) 5.963 15.424 ( 4.963 3.120 -1.094) 5.963 15.509 ( -3.085 -2.971 1.590) 4.568 15.509 ( -3.085 2.971 1.590) 4.568 16.584 ( 2.391 -2.579 5.009) 6.121 16.584 ( 2.391 2.579 5.009) 6.121 16.630 ( -1.609 -0.599 5.093) 5.375 16.630 ( -1.609 0.599 5.093) 5.375 19.636 ( 1.970 -7.547 -0.277) 7.805 19.636 ( 1.970 7.547 -0.277) 7.805 19.689 ( -2.649 -9.244 -0.065) 9.616 19.689 ( -2.649 9.244 -0.065) 9.616 25.654 ( 6.505 -2.562 -2.937) 7.583 25.654 ( 6.505 2.562 -2.937) 7.583 25.830 ( -9.956 -3.112 -6.073) 12.070 25.830 ( -9.956 3.112 -6.073) 12.070 27.201 ( 0.214 -3.397 3.834) 5.126 27.201 ( 0.214 3.397 3.834) 5.126 27.213 ( -1.023 -2.866 5.678) 6.442 27.213 ( -1.023 2.866 5.678) 6.442 27.445 ( 0.686 -2.543 5.914) 6.475 27.445 ( 0.686 2.543 5.914) 6.475 27.470 ( -1.667 -3.471 5.175) 6.450 27.470 ( -1.667 3.471 5.175) 6.450 27.774 ( 4.713 -1.260 2.758) 5.604 27.774 ( 4.713 1.260 2.758) 5.604 27.875 ( -4.309 -0.452 1.335) 4.533 27.875 ( -4.309 0.452 1.335) 4.533 28.406 ( 6.056 -5.425 -4.265) 9.181 28.406 ( 6.056 5.425 -4.265) 9.181 28.513 ( -3.402 -4.144 -3.139) 6.213 28.513 ( -3.402 4.144 -3.139) 6.213 28.721 ( 3.618 -3.186 -1.821) 5.154 28.721 ( 3.618 3.186 -1.821) 5.154 28.765 ( 0.081 -3.509 -0.302) 3.523 28.765 ( 0.081 3.509 -0.302) 3.523 30.710 ( 8.759 -15.852 1.891) 18.209 30.710 ( 8.759 15.852 1.891) 18.209 30.910 ( -9.184 -14.091 -0.753) 16.837 30.910 ( -9.184 14.091 -0.753) 16.837 ======================= Grid point 50 (19/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.248 ( 0.000 0.000 31.003) 31.003 1.788 ( 0.000 0.000 36.488) 36.488 1.869 ( 0.000 0.000 5.464) 5.464 2.058 ( 0.000 0.000 9.782) 9.782 2.179 ( 0.000 0.000 -3.282) 3.282 2.382 ( 0.000 0.000 2.150) 2.150 2.836 ( 0.000 0.000 25.695) 25.695 2.945 ( 0.000 0.000 11.872) 11.872 2.991 ( 0.000 0.000 12.695) 12.695 3.188 ( 0.000 0.000 -5.765) 5.765 3.193 ( 0.000 0.000 -4.361) 4.361 3.252 ( 0.000 0.000 16.052) 16.052 3.294 ( 0.000 0.000 -0.886) 0.886 3.455 ( 0.000 0.000 1.714) 1.714 3.616 ( 0.000 0.000 -5.127) 5.127 3.678 ( 0.000 0.000 22.066) 22.066 3.742 ( 0.000 0.000 5.758) 5.758 3.822 ( 0.000 0.000 17.295) 17.295 3.831 ( 0.000 0.000 -6.912) 6.912 4.003 ( 0.000 0.000 6.642) 6.642 4.118 ( 0.000 0.000 10.812) 10.812 4.203 ( 0.000 0.000 24.715) 24.715 4.232 ( 0.000 0.000 2.848) 2.848 4.361 ( 0.000 0.000 -5.708) 5.708 4.410 ( 0.000 0.000 -1.532) 1.532 4.554 ( 0.000 0.000 3.113) 3.113 4.587 ( 0.000 0.000 10.262) 10.262 4.697 ( 0.000 0.000 1.017) 1.017 4.787 ( 0.000 0.000 10.010) 10.010 4.822 ( 0.000 0.000 4.172) 4.172 4.831 ( 0.000 0.000 5.522) 5.522 4.877 ( 0.000 0.000 11.613) 11.613 4.897 ( 0.000 0.000 1.000) 1.000 5.133 ( 0.000 0.000 -4.674) 4.674 5.273 ( 0.000 0.000 -10.225) 10.225 5.376 ( 0.000 0.000 3.608) 3.608 5.474 ( 0.000 0.000 -6.258) 6.258 5.495 ( 0.000 0.000 -1.774) 1.774 5.506 ( 0.000 0.000 -3.137) 3.137 5.523 ( 0.000 0.000 10.908) 10.908 5.550 ( 0.000 0.000 0.492) 0.492 5.646 ( 0.000 0.000 3.322) 3.322 5.680 ( 0.000 0.000 -7.382) 7.382 5.782 ( 0.000 0.000 9.404) 9.404 5.874 ( 0.000 0.000 -2.326) 2.326 5.891 ( 0.000 0.000 1.262) 1.262 5.948 ( 0.000 0.000 -2.640) 2.640 6.119 ( 0.000 0.000 -2.919) 2.919 6.120 ( 0.000 0.000 -2.882) 2.882 6.146 ( 0.000 0.000 10.396) 10.396 6.154 ( 0.000 0.000 1.383) 1.383 6.181 ( 0.000 0.000 1.358) 1.358 6.302 ( 0.000 0.000 -3.264) 3.264 6.476 ( 0.000 0.000 -1.174) 1.174 6.534 ( 0.000 0.000 -1.321) 1.321 6.570 ( 0.000 0.000 0.873) 0.873 6.626 ( 0.000 0.000 9.520) 9.520 6.627 ( 0.000 0.000 -1.481) 1.481 6.692 ( 0.000 0.000 3.996) 3.996 6.708 ( 0.000 0.000 4.739) 4.739 6.790 ( 0.000 0.000 2.379) 2.379 6.843 ( 0.000 0.000 -7.892) 7.892 7.108 ( 0.000 0.000 -8.501) 8.501 7.215 ( 0.000 0.000 8.257) 8.257 7.328 ( 0.000 0.000 3.354) 3.354 7.332 ( 0.000 0.000 -3.040) 3.040 7.368 ( 0.000 0.000 -3.994) 3.994 7.539 ( 0.000 0.000 -0.395) 0.395 7.598 ( 0.000 0.000 8.552) 8.552 7.818 ( 0.000 0.000 -11.053) 11.053 7.831 ( 0.000 0.000 -3.705) 3.705 7.974 ( 0.000 0.000 -10.791) 10.791 8.249 ( 0.000 0.000 0.422) 0.422 8.319 ( 0.000 0.000 2.472) 2.472 8.614 ( 0.000 0.000 -4.401) 4.401 8.739 ( 0.000 0.000 5.112) 5.112 8.768 ( 0.000 0.000 2.002) 2.002 9.047 ( 0.000 0.000 7.945) 7.945 9.103 ( 0.000 0.000 6.917) 6.917 9.133 ( 0.000 0.000 -1.453) 1.453 9.160 ( 0.000 0.000 -5.703) 5.703 9.369 ( 0.000 0.000 5.375) 5.375 9.498 ( 0.000 0.000 0.708) 0.708 9.686 ( 0.000 0.000 2.325) 2.325 9.736 ( 0.000 0.000 -13.597) 13.597 10.039 ( 0.000 0.000 1.217) 1.217 10.120 ( 0.000 0.000 2.064) 2.064 10.272 ( 0.000 0.000 3.729) 3.729 10.282 ( 0.000 0.000 -7.424) 7.424 10.325 ( 0.000 0.000 -11.124) 11.124 10.385 ( 0.000 0.000 -5.393) 5.393 10.627 ( 0.000 0.000 -9.854) 9.854 10.666 ( 0.000 0.000 -2.274) 2.274 10.907 ( 0.000 0.000 2.583) 2.583 10.920 ( 0.000 0.000 0.731) 0.731 11.033 ( 0.000 0.000 0.088) 0.088 11.224 ( 0.000 0.000 -8.198) 8.198 11.415 ( 0.000 0.000 -9.292) 9.292 11.810 ( 0.000 0.000 -1.684) 1.684 11.906 ( 0.000 0.000 -15.272) 15.272 12.246 ( 0.000 0.000 -20.417) 20.417 12.545 ( 0.000 0.000 -7.069) 7.069 12.727 ( 0.000 0.000 -6.068) 6.068 12.836 ( 0.000 0.000 3.696) 3.696 13.225 ( 0.000 0.000 3.360) 3.360 13.482 ( 0.000 0.000 5.660) 5.660 13.543 ( 0.000 0.000 -5.723) 5.723 13.846 ( 0.000 0.000 -5.826) 5.826 13.924 ( 0.000 0.000 0.147) 0.147 14.214 ( 0.000 0.000 -1.731) 1.731 14.301 ( 0.000 0.000 3.982) 3.982 14.590 ( 0.000 0.000 -3.826) 3.826 14.591 ( 0.000 0.000 4.842) 4.842 15.050 ( 0.000 0.000 -3.368) 3.368 15.239 ( 0.000 0.000 9.502) 9.502 15.266 ( 0.000 0.000 -2.701) 2.701 15.384 ( 0.000 0.000 5.883) 5.883 15.385 ( 0.000 0.000 0.428) 0.428 15.545 ( 0.000 0.000 11.668) 11.668 15.887 ( 0.000 0.000 7.796) 7.796 16.338 ( 0.000 0.000 1.387) 1.387 16.616 ( 0.000 0.000 -0.944) 0.944 16.808 ( 0.000 0.000 7.797) 7.797 16.853 ( 0.000 0.000 5.552) 5.552 19.482 ( 0.000 0.000 0.410) 0.410 19.600 ( 0.000 0.000 1.736) 1.736 19.803 ( 0.000 0.000 0.468) 0.468 19.973 ( 0.000 0.000 -4.410) 4.410 25.452 ( 0.000 0.000 2.845) 2.845 25.517 ( 0.000 0.000 -3.835) 3.835 25.767 ( 0.000 0.000 -1.320) 1.320 25.977 ( 0.000 0.000 -15.629) 15.629 27.223 ( 0.000 0.000 7.373) 7.373 27.292 ( 0.000 0.000 2.474) 2.474 27.317 ( 0.000 0.000 0.764) 0.764 27.409 ( 0.000 0.000 3.609) 3.609 27.487 ( 0.000 0.000 1.192) 1.192 27.525 ( 0.000 0.000 1.347) 1.347 27.645 ( 0.000 0.000 -1.857) 1.857 27.647 ( 0.000 0.000 -0.064) 0.064 27.757 ( 0.000 0.000 4.106) 4.106 27.784 ( 0.000 0.000 2.264) 2.264 27.785 ( 0.000 0.000 7.761) 7.761 27.974 ( 0.000 0.000 0.138) 0.138 28.020 ( 0.000 0.000 0.464) 0.464 28.316 ( 0.000 0.000 5.439) 5.439 28.316 ( 0.000 0.000 -1.628) 1.628 28.490 ( 0.000 0.000 0.191) 0.191 28.492 ( 0.000 0.000 -6.904) 6.904 28.599 ( 0.000 0.000 -5.412) 5.412 28.691 ( 0.000 0.000 -3.407) 3.407 28.819 ( 0.000 0.000 -0.112) 0.112 30.463 ( 0.000 0.000 7.543) 7.543 30.864 ( 0.000 0.000 0.379) 0.379 31.273 ( 0.000 0.000 3.247) 3.247 31.310 ( 0.000 0.000 -2.123) 2.123 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.472 ( 19.062 0.000 26.896) 32.966 1.677 ( 9.647 0.000 17.229) 19.746 1.964 ( 11.047 0.000 1.232) 11.116 2.296 ( 14.121 0.000 -9.339) 16.930 2.424 ( 3.270 0.000 1.709) 3.690 2.702 ( 33.841 0.000 11.133) 35.626 2.862 ( -2.310 0.000 12.427) 12.639 2.896 ( -1.867 0.000 9.109) 9.298 2.970 ( -3.311 0.000 7.351) 8.062 3.078 ( -10.306 0.000 4.004) 11.056 3.180 ( -0.047 0.000 -2.668) 2.669 3.366 ( -0.084 0.000 -6.009) 6.009 3.396 ( 6.494 0.000 7.513) 9.931 3.491 ( 3.002 0.000 -4.479) 5.392 3.629 ( 0.729 0.000 0.810) 1.090 3.672 ( 5.869 0.000 20.841) 21.651 3.714 ( 7.714 0.000 23.904) 25.118 3.854 ( 1.978 0.000 -3.089) 3.668 4.015 ( 4.527 0.000 6.470) 7.896 4.042 ( -3.085 0.000 14.536) 14.860 4.052 ( 5.570 0.000 9.162) 10.722 4.145 ( -4.621 0.000 4.473) 6.431 4.211 ( -2.514 0.000 12.360) 12.613 4.333 ( -2.950 0.000 -7.559) 8.114 4.414 ( 2.120 0.000 0.090) 2.122 4.588 ( 2.431 0.000 10.166) 10.452 4.605 ( -2.989 0.000 0.140) 2.992 4.629 ( 1.794 0.000 6.818) 7.051 4.667 ( -9.048 0.000 2.230) 9.319 4.721 ( -2.891 0.000 2.301) 3.695 4.826 ( 3.921 0.000 10.712) 11.407 4.931 ( 0.049 0.000 2.196) 2.196 4.967 ( -6.003 0.000 10.088) 11.739 5.114 ( 8.708 0.000 -3.839) 9.517 5.116 ( -13.098 0.000 -3.470) 13.550 5.271 ( -7.519 0.000 -2.816) 8.029 5.302 ( -12.936 0.000 4.395) 13.662 5.422 ( -2.692 0.000 -3.396) 4.334 5.466 ( -5.132 0.000 -1.250) 5.282 5.591 ( 2.508 0.000 5.919) 6.428 5.609 ( -3.706 0.000 1.709) 4.081 5.624 ( -3.476 0.000 -1.137) 3.657 5.746 ( 0.499 0.000 4.552) 4.579 5.782 ( -8.483 0.000 8.029) 11.680 5.833 ( 12.879 0.000 2.869) 13.194 5.897 ( 0.715 0.000 5.208) 5.257 5.957 ( 1.704 0.000 -5.035) 5.316 6.013 ( 2.102 0.000 0.174) 2.109 6.108 ( -7.965 0.000 4.118) 8.967 6.131 ( 2.267 0.000 -0.397) 2.302 6.268 ( -1.729 0.000 -3.135) 3.580 6.276 ( 3.796 0.000 -2.419) 4.501 6.375 ( 6.686 0.000 3.795) 7.688 6.430 ( -3.330 0.000 -2.310) 4.053 6.454 ( -0.306 0.000 -1.137) 1.178 6.526 ( -8.461 0.000 3.065) 8.999 6.548 ( -0.304 0.000 1.024) 1.068 6.679 ( 2.169 0.000 7.853) 8.147 6.687 ( 6.600 0.000 -0.512) 6.619 6.797 ( 3.852 0.000 8.868) 9.669 6.837 ( 2.594 0.000 4.412) 5.118 6.855 ( 0.438 0.000 3.749) 3.775 7.069 ( -9.644 0.000 9.649) 13.642 7.183 ( -9.540 0.000 0.593) 9.559 7.240 ( -6.631 0.000 -1.196) 6.738 7.280 ( 10.295 0.000 -5.827) 11.830 7.370 ( -0.528 0.000 0.204) 0.566 7.379 ( -9.226 0.000 1.641) 9.371 7.537 ( -6.056 0.000 9.418) 11.197 7.914 ( -0.179 0.000 -9.851) 9.852 7.965 ( 5.157 0.000 -3.087) 6.010 8.039 ( 11.758 0.000 -11.098) 16.168 8.322 ( 6.249 0.000 2.381) 6.687 8.368 ( 4.817 0.000 0.375) 4.831 8.563 ( -4.279 0.000 -5.431) 6.914 8.757 ( -2.863 0.000 -5.113) 5.860 8.906 ( 7.307 0.000 2.563) 7.744 8.949 ( -14.938 0.000 -1.187) 14.985 8.967 ( 0.353 0.000 1.069) 1.126 9.020 ( -2.358 0.000 -0.799) 2.490 9.223 ( 3.398 0.000 -5.005) 6.050 9.283 ( -5.399 0.000 1.851) 5.708 9.669 ( 10.753 0.000 3.474) 11.300 9.689 ( 0.451 0.000 1.554) 1.618 9.782 ( 4.466 0.000 -7.020) 8.320 9.986 ( 2.296 0.000 -3.785) 4.427 10.179 ( -7.425 0.000 -6.899) 10.135 10.257 ( -0.796 0.000 -13.721) 13.744 10.334 ( 0.319 0.000 0.924) 0.977 10.367 ( 8.731 0.000 -3.805) 9.524 10.472 ( 10.148 0.000 -1.118) 10.209 10.554 ( -6.379 0.000 -2.513) 6.856 10.689 ( 3.249 0.000 -1.086) 3.425 10.872 ( -2.317 0.000 -0.070) 2.318 10.891 ( -2.249 0.000 -7.603) 7.929 11.093 ( 1.875 0.000 -0.218) 1.888 11.177 ( -4.405 0.000 -7.186) 8.429 11.395 ( -21.700 0.000 -26.692) 34.400 11.527 ( 8.145 0.000 -1.329) 8.253 11.867 ( -1.799 0.000 -0.613) 1.901 12.354 ( 3.750 0.000 -2.504) 4.509 12.619 ( 0.150 0.000 -7.278) 7.280 12.719 ( 2.006 0.000 1.955) 2.801 13.008 ( 8.067 0.000 -6.763) 10.527 13.241 ( 1.522 0.000 2.579) 2.994 13.463 ( -3.082 0.000 3.599) 4.739 13.521 ( -0.275 0.000 -3.887) 3.897 13.793 ( -4.104 0.000 -2.575) 4.845 13.949 ( 3.055 0.000 -1.717) 3.505 14.259 ( -0.788 0.000 2.106) 2.248 14.354 ( 6.982 0.000 0.564) 7.004 14.534 ( -3.182 0.000 3.604) 4.808 14.591 ( -0.367 0.000 -4.238) 4.253 15.021 ( -9.764 0.000 4.777) 10.870 15.031 ( -2.586 0.000 -4.562) 5.244 15.242 ( -5.695 0.000 1.254) 5.831 15.335 ( 2.447 0.000 2.775) 3.700 15.498 ( 2.214 0.000 2.488) 3.330 15.581 ( 3.514 0.000 11.960) 12.465 15.869 ( -1.748 0.000 8.016) 8.204 16.307 ( -1.567 0.000 1.030) 1.875 16.517 ( -6.665 0.000 -1.885) 6.926 16.867 ( 4.191 0.000 7.127) 8.268 16.926 ( 3.805 0.000 7.551) 8.455 19.484 ( 0.224 0.000 0.486) 0.535 19.575 ( -2.050 0.000 1.766) 2.706 19.830 ( 2.263 0.000 -0.315) 2.285 19.961 ( -0.987 0.000 -3.790) 3.916 25.461 ( 1.195 0.000 -0.386) 1.256 25.550 ( 2.590 0.000 -1.380) 2.935 25.741 ( -2.408 0.000 -2.463) 3.444 25.879 ( -7.752 0.000 -11.293) 13.698 27.216 ( -0.691 0.000 5.391) 5.435 27.286 ( -1.567 0.000 4.942) 5.184 27.334 ( 3.364 0.000 3.268) 4.690 27.418 ( 0.828 0.000 3.545) 3.640 27.516 ( 0.946 0.000 1.510) 1.782 27.543 ( -3.885 0.000 3.822) 5.450 27.546 ( 1.456 0.000 1.878) 2.377 27.637 ( -0.869 0.000 -0.991) 1.318 27.766 ( -0.454 0.000 7.793) 7.807 27.794 ( 1.509 0.000 1.238) 1.951 27.951 ( 10.229 0.000 0.317) 10.234 27.971 ( 0.492 0.000 -1.341) 1.428 28.015 ( -1.908 0.000 0.333) 1.937 28.348 ( 3.156 0.000 -1.656) 3.564 28.367 ( 4.421 0.000 0.259) 4.429 28.459 ( -3.031 0.000 -6.534) 7.202 28.580 ( 7.591 0.000 1.557) 7.749 28.608 ( -0.053 0.000 -4.225) 4.226 28.662 ( -1.933 0.000 -3.387) 3.900 28.857 ( 2.795 0.000 -0.592) 2.857 30.434 ( -1.844 0.000 7.347) 7.574 30.785 ( -7.075 0.000 0.966) 7.140 31.192 ( -4.067 0.000 3.175) 5.160 31.303 ( -2.271 0.000 -1.911) 2.968 ======================= Grid point 52 (21/45) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.960 ( 24.428 0.000 20.236) 31.721 2.162 ( 29.520 0.000 0.152) 29.521 2.329 ( 16.844 0.000 -2.993) 17.108 2.412 ( -7.616 0.000 7.271) 10.529 2.675 ( -9.598 0.000 -0.732) 9.626 2.678 ( 6.611 0.000 -9.713) 11.749 2.762 ( -4.863 0.000 -5.687) 7.483 2.858 ( -5.587 0.000 3.856) 6.788 2.880 ( -4.450 0.000 -0.212) 4.455 3.089 ( -9.910 0.000 -11.374) 15.086 3.243 ( 11.182 0.000 4.474) 12.044 3.356 ( 7.716 0.000 -5.615) 9.543 3.443 ( -8.153 0.000 6.588) 10.482 3.482 ( 6.572 0.000 11.462) 13.213 3.595 ( -7.039 0.000 -5.630) 9.014 3.710 ( -11.678 0.000 8.960) 14.719 3.861 ( 6.322 0.000 -3.194) 7.084 3.933 ( -1.875 0.000 -6.139) 6.419 4.034 ( 6.987 0.000 20.236) 21.408 4.095 ( 1.936 0.000 1.395) 2.386 4.163 ( 10.434 0.000 17.211) 20.127 4.280 ( 6.154 0.000 4.483) 7.614 4.294 ( 6.306 0.000 -2.630) 6.832 4.305 ( 10.808 0.000 12.001) 16.150 4.440 ( -9.140 0.000 2.409) 9.452 4.503 ( 6.602 0.000 3.666) 7.551 4.544 ( 1.896 0.000 10.145) 10.321 4.627 ( -1.451 0.000 7.135) 7.281 4.648 ( -4.879 0.000 10.015) 11.140 4.748 ( -16.946 0.000 4.944) 17.653 4.792 ( 8.224 0.000 1.792) 8.416 4.838 ( -1.742 0.000 5.701) 5.961 4.916 ( 0.035 0.000 2.126) 2.126 4.976 ( -1.370 0.000 8.995) 9.098 5.018 ( -7.611 0.000 6.154) 9.788 5.143 ( -9.453 0.000 -1.230) 9.533 5.283 ( 5.342 0.000 -2.692) 5.982 5.294 ( 0.392 0.000 4.840) 4.856 5.432 ( -8.282 0.000 4.099) 9.241 5.469 ( -9.119 0.000 0.735) 9.149 5.525 ( 3.380 0.000 1.707) 3.787 5.569 ( 5.907 0.000 2.874) 6.569 5.696 ( 2.508 0.000 7.734) 8.130 5.768 ( -14.923 0.000 0.179) 14.925 5.771 ( -3.904 0.000 3.222) 5.061 5.810 ( -9.957 0.000 0.023) 9.957 5.989 ( 7.486 0.000 6.574) 9.963 6.100 ( 6.395 0.000 8.590) 10.709 6.142 ( -3.885 0.000 0.262) 3.894 6.252 ( -3.654 0.000 4.318) 5.656 6.285 ( 11.564 0.000 -1.989) 11.734 6.292 ( 5.106 0.000 -0.210) 5.111 6.379 ( -1.653 0.000 -1.475) 2.215 6.466 ( 6.627 0.000 6.494) 9.279 6.470 ( 0.141 0.000 3.057) 3.060 6.491 ( 3.234 0.000 3.847) 5.026 6.546 ( -1.260 0.000 3.036) 3.287 6.707 ( -4.185 0.000 9.321) 10.217 6.788 ( -0.957 0.000 2.890) 3.044 6.832 ( -3.435 0.000 11.359) 11.867 6.891 ( 6.042 0.000 3.951) 7.219 6.902 ( 3.035 0.000 7.949) 8.508 6.941 ( -7.676 0.000 3.970) 8.642 6.942 ( 2.615 0.000 9.935) 10.274 7.124 ( -3.635 0.000 4.516) 5.797 7.194 ( -8.084 0.000 6.017) 10.078 7.200 ( -5.067 0.000 5.638) 7.580 7.284 ( -11.432 0.000 9.972) 15.170 7.720 ( 15.872 0.000 -11.295) 19.481 7.887 ( -1.809 0.000 -4.992) 5.310 8.107 ( 9.332 0.000 -5.319) 10.741 8.222 ( 6.613 0.000 -12.000) 13.702 8.364 ( -5.808 0.000 -9.085) 10.782 8.440 ( -10.418 0.000 -4.483) 11.341 8.572 ( -5.235 0.000 -10.739) 11.947 8.584 ( 9.430 0.000 2.206) 9.685 8.662 ( -5.280 0.000 -7.339) 9.041 8.793 ( -8.428 0.000 5.197) 9.901 9.101 ( 5.975 0.000 -0.343) 5.984 9.186 ( 7.904 0.000 -3.217) 8.533 9.200 ( -3.207 0.000 -1.257) 3.444 9.267 ( -0.145 0.000 -4.876) 4.878 9.753 ( 7.062 0.000 -4.645) 8.453 9.855 ( 5.331 0.000 -3.363) 6.303 9.885 ( 3.428 0.000 -1.784) 3.864 9.967 ( -11.206 0.000 -9.512) 14.698 10.077 ( 6.804 0.000 -3.109) 7.481 10.298 ( -11.657 0.000 -0.594) 11.672 10.308 ( 4.428 0.000 -16.015) 16.616 10.360 ( 0.916 0.000 -8.161) 8.212 10.567 ( 7.068 0.000 -2.023) 7.352 10.665 ( 1.606 0.000 -4.890) 5.147 10.723 ( -0.296 0.000 -0.262) 0.395 10.796 ( -7.482 0.000 -10.060) 12.537 10.870 ( 4.993 0.000 2.035) 5.392 11.040 ( -8.137 0.000 -3.800) 8.981 11.068 ( 3.090 0.000 -13.266) 13.621 11.174 ( -4.349 0.000 -22.414) 22.832 11.698 ( 6.801 0.000 1.871) 7.054 11.811 ( -3.783 0.000 2.461) 4.513 12.453 ( 5.875 0.000 1.351) 6.028 12.567 ( -4.034 0.000 0.146) 4.036 12.798 ( 5.476 0.000 3.932) 6.741 12.969 ( -8.989 0.000 3.462) 9.633 13.289 ( 2.935 0.000 0.929) 3.078 13.368 ( -4.491 0.000 0.191) 4.495 13.566 ( 4.170 0.000 -0.939) 4.275 13.681 ( -5.951 0.000 -1.005) 6.035 14.058 ( 6.400 0.000 -0.391) 6.412 14.190 ( -5.252 0.000 2.116) 5.662 14.437 ( 1.120 0.000 2.615) 2.845 14.478 ( -2.537 0.000 1.515) 2.955 14.694 ( 10.181 0.000 -6.090) 11.863 14.911 ( -8.631 0.000 -5.938) 10.476 14.983 ( 4.732 0.000 -2.093) 5.174 15.115 ( -6.316 0.000 -1.593) 6.514 15.401 ( 3.861 0.000 2.915) 4.838 15.484 ( -3.070 0.000 2.799) 4.155 15.689 ( 5.953 0.000 10.843) 12.369 15.805 ( -4.401 0.000 8.993) 10.012 16.306 ( 1.804 0.000 -0.818) 1.981 16.384 ( -5.285 0.000 -2.271) 5.752 16.944 ( 2.556 0.000 8.057) 8.453 16.969 ( 0.276 0.000 8.840) 8.845 19.495 ( 1.001 0.000 1.114) 1.498 19.528 ( -2.046 0.000 1.697) 2.659 19.885 ( 2.604 0.000 -1.799) 3.165 19.932 ( -1.757 0.000 -2.898) 3.389 25.516 ( 4.092 0.000 -4.581) 6.143 25.599 ( -0.118 0.000 -2.219) 2.222 25.671 ( -2.165 0.000 -4.812) 5.276 25.726 ( -5.151 0.000 -0.861) 5.222 27.214 ( 0.874 0.000 4.922) 4.999 27.249 ( -2.023 0.000 6.297) 6.614 27.406 ( 2.824 0.000 4.502) 5.315 27.435 ( 0.239 0.000 4.349) 4.356 27.502 ( -0.070 0.000 4.217) 4.218 27.515 ( -0.866 0.000 2.836) 2.965 27.566 ( 0.781 0.000 2.075) 2.217 27.602 ( -2.243 0.000 1.961) 2.980 27.812 ( 4.645 0.000 4.008) 6.135 27.853 ( 3.612 0.000 0.892) 3.721 27.928 ( -2.993 0.000 1.087) 3.184 27.929 ( -5.482 0.000 1.866) 5.791 28.182 ( 9.579 0.000 -3.546) 10.214 28.355 ( -6.412 0.000 -4.442) 7.800 28.453 ( 5.794 0.000 -2.394) 6.269 28.474 ( 5.104 0.000 -2.934) 5.887 28.566 ( -3.995 0.000 -2.848) 4.906 28.576 ( -4.251 0.000 -2.752) 5.064 28.791 ( 8.309 0.000 -0.827) 8.350 28.892 ( -0.818 0.000 -1.243) 1.488 30.441 ( 3.723 0.000 5.857) 6.940 30.595 ( -9.492 0.000 2.965) 9.944 31.160 ( 1.277 0.000 0.761) 1.487 31.226 ( -4.166 0.000 -1.479) 4.420 ======================= Grid point 55 (22/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.000 35.856 15.626) 39.113 1.876 ( 0.000 4.508 14.622) 15.301 1.939 ( 0.000 11.109 23.706) 26.180 2.029 ( 0.000 -2.267 9.659) 9.922 2.198 ( 0.000 1.935 -2.683) 3.308 2.356 ( 0.000 -2.378 0.728) 2.487 2.634 ( 0.000 -16.116 26.892) 31.352 2.943 ( 0.000 -7.357 3.202) 8.023 3.049 ( 0.000 -5.907 13.774) 14.987 3.120 ( 0.000 6.819 18.351) 19.577 3.200 ( 0.000 1.961 -5.607) 5.940 3.306 ( 0.000 0.926 3.672) 3.787 3.315 ( 0.000 2.108 -5.098) 5.517 3.483 ( 0.000 4.038 0.633) 4.088 3.568 ( 0.000 -1.823 -1.672) 2.473 3.716 ( 0.000 -9.620 -6.130) 11.407 3.733 ( 0.000 5.649 25.194) 25.820 3.822 ( 0.000 6.453 6.400) 9.089 3.890 ( 0.000 1.708 6.120) 6.354 3.973 ( 0.000 -0.448 15.350) 15.357 4.166 ( 0.000 6.169 12.802) 14.211 4.251 ( 0.000 4.266 24.217) 24.590 4.322 ( 0.000 6.291 3.029) 6.982 4.364 ( 0.000 -2.580 1.355) 2.914 4.436 ( 0.000 2.705 -0.928) 2.860 4.509 ( 0.000 -5.919 15.923) 16.988 4.532 ( 0.000 -1.918 1.638) 2.523 4.654 ( 0.000 -5.301 10.838) 12.065 4.663 ( 0.000 -3.698 4.246) 5.631 4.743 ( 0.000 0.465 -6.547) 6.563 4.888 ( 0.000 2.450 10.316) 10.602 4.981 ( 0.000 2.906 4.108) 5.032 5.016 ( 0.000 7.544 0.200) 7.547 5.063 ( 0.000 -12.452 -0.564) 12.464 5.236 ( 0.000 -4.968 -5.485) 7.400 5.331 ( 0.000 -4.866 6.848) 8.401 5.351 ( 0.000 -3.246 -1.654) 3.643 5.367 ( 0.000 -6.485 9.104) 11.177 5.462 ( 0.000 -6.523 -7.018) 9.581 5.491 ( 0.000 -4.015 -2.824) 4.909 5.580 ( 0.000 4.165 1.658) 4.483 5.602 ( 0.000 -2.324 2.302) 3.271 5.644 ( 0.000 -9.888 3.689) 10.554 5.766 ( 0.000 -0.530 3.441) 3.481 5.830 ( 0.000 -7.160 -1.556) 7.328 5.875 ( 0.000 7.661 -1.167) 7.749 5.896 ( 0.000 -0.374 -2.060) 2.094 6.010 ( 0.000 1.261 -2.985) 3.240 6.095 ( 0.000 -2.356 -0.585) 2.427 6.152 ( 0.000 1.726 1.575) 2.336 6.171 ( 0.000 1.517 -4.458) 4.709 6.268 ( 0.000 -1.953 -0.714) 2.080 6.443 ( 0.000 -2.576 -1.420) 2.941 6.466 ( 0.000 5.008 5.357) 7.333 6.530 ( 0.000 -4.196 -0.085) 4.197 6.534 ( 0.000 -0.631 -3.364) 3.422 6.587 ( 0.000 1.202 -0.289) 1.236 6.625 ( 0.000 -5.231 3.280) 6.175 6.774 ( 0.000 6.694 4.167) 7.885 6.844 ( 0.000 0.658 2.098) 2.199 6.872 ( 0.000 12.733 4.744) 13.588 6.874 ( 0.000 4.174 -6.253) 7.518 6.998 ( 0.000 4.894 -3.724) 6.150 7.114 ( 0.000 -7.078 1.774) 7.297 7.266 ( 0.000 -5.438 4.897) 7.318 7.399 ( 0.000 0.109 0.434) 0.448 7.437 ( 0.000 5.413 -2.658) 6.031 7.527 ( 0.000 -1.459 -1.617) 2.177 7.725 ( 0.000 5.194 0.209) 5.198 7.824 ( 0.000 -1.390 -3.054) 3.355 7.904 ( 0.000 11.427 -5.674) 12.758 8.038 ( 0.000 6.583 -12.168) 13.835 8.237 ( 0.000 -1.347 2.135) 2.524 8.398 ( 0.000 7.207 1.163) 7.300 8.488 ( 0.000 -12.448 -9.674) 15.765 8.683 ( 0.000 -5.011 4.122) 6.489 8.747 ( 0.000 -1.686 1.836) 2.493 8.933 ( 0.000 -13.151 -4.304) 13.838 9.068 ( 0.000 1.569 6.496) 6.683 9.179 ( 0.000 -1.196 0.501) 1.296 9.197 ( 0.000 8.689 2.341) 8.999 9.421 ( 0.000 5.351 10.761) 12.018 9.534 ( 0.000 -2.942 -2.244) 3.700 9.637 ( 0.000 -5.498 0.491) 5.520 9.726 ( 0.000 4.429 3.110) 5.411 10.081 ( 0.000 -14.983 0.526) 14.992 10.120 ( 0.000 7.597 1.196) 7.691 10.149 ( 0.000 3.126 1.199) 3.348 10.311 ( 0.000 3.727 0.941) 3.844 10.397 ( 0.000 0.956 -21.251) 21.273 10.407 ( 0.000 0.265 -5.983) 5.989 10.501 ( 0.000 1.854 -2.472) 3.090 10.778 ( 0.000 -0.308 2.577) 2.595 10.821 ( 0.000 1.394 3.409) 3.683 11.057 ( 0.000 0.649 1.587) 1.715 11.124 ( 0.000 5.351 -7.513) 9.224 11.270 ( 0.000 5.644 -6.538) 8.637 11.376 ( 0.000 -1.477 -13.970) 14.048 11.572 ( 0.000 -21.769 -10.446) 24.145 11.727 ( 0.000 -8.228 -3.376) 8.894 12.228 ( 0.000 -0.833 -17.410) 17.429 12.366 ( 0.000 -9.612 -2.233) 9.868 12.592 ( 0.000 -10.718 -3.356) 11.231 12.616 ( 0.000 -14.050 3.263) 14.424 13.633 ( 0.000 29.763 -2.162) 29.842 13.673 ( 0.000 11.410 -3.580) 11.959 13.748 ( 0.000 15.015 -0.986) 15.047 13.958 ( 0.000 1.926 -1.749) 2.602 14.002 ( 0.000 10.967 -8.823) 14.076 14.230 ( 0.000 -7.937 5.590) 9.708 14.258 ( 0.000 1.943 -1.641) 2.543 14.572 ( 0.000 -3.389 -4.190) 5.389 14.752 ( 0.000 18.899 -2.518) 19.066 14.884 ( 0.000 -10.451 0.401) 10.459 15.231 ( 0.000 -3.777 6.779) 7.760 15.260 ( 0.000 -0.412 -1.208) 1.276 15.385 ( 0.000 -11.444 7.589) 13.731 15.395 ( 0.000 -2.861 3.087) 4.209 15.503 ( 0.000 10.512 2.989) 10.928 15.837 ( 0.000 -4.613 4.374) 6.358 16.456 ( 0.000 9.888 3.550) 10.506 16.633 ( 0.000 1.718 2.135) 2.740 16.773 ( 0.000 -3.649 6.865) 7.774 16.807 ( 0.000 -4.380 6.034) 7.456 19.512 ( 0.000 3.176 0.172) 3.181 19.638 ( 0.000 3.954 1.071) 4.097 19.733 ( 0.000 -6.454 1.117) 6.550 19.896 ( 0.000 -7.013 -3.409) 7.798 25.466 ( 0.000 1.350 1.846) 2.286 25.517 ( 0.000 -0.427 -3.053) 3.083 25.822 ( 0.000 4.930 -5.228) 7.186 25.965 ( 0.000 -1.410 -14.485) 14.553 27.231 ( 0.000 1.053 6.858) 6.939 27.299 ( 0.000 0.876 3.666) 3.769 27.369 ( 0.000 0.045 0.819) 0.821 27.378 ( 0.000 1.847 0.464) 1.904 27.442 ( 0.000 -3.500 0.941) 3.625 27.530 ( 0.000 -0.955 0.454) 1.057 27.624 ( 0.000 -1.428 -1.392) 1.995 27.627 ( 0.000 -1.209 1.331) 1.799 27.767 ( 0.000 0.577 5.084) 5.116 27.776 ( 0.000 1.293 5.320) 5.475 27.851 ( 0.000 3.489 5.027) 6.119 27.945 ( 0.000 -2.206 1.363) 2.593 28.064 ( 0.000 3.995 0.769) 4.069 28.269 ( 0.000 -4.629 -0.939) 4.723 28.336 ( 0.000 1.683 1.156) 2.042 28.415 ( 0.000 -3.197 -5.558) 6.412 28.584 ( 0.000 4.924 -2.358) 5.459 28.613 ( 0.000 1.375 -4.074) 4.300 28.696 ( 0.000 0.401 -2.099) 2.137 28.794 ( 0.000 -2.611 -0.163) 2.616 30.540 ( 0.000 8.083 9.206) 12.251 30.923 ( 0.000 4.952 1.020) 5.056 31.103 ( 0.000 -14.316 7.339) 16.087 31.248 ( 0.000 -6.110 -1.867) 6.388 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.714 ( 8.187 10.431 15.563) 20.446 1.870 ( 13.147 27.843 14.401) 33.992 1.950 ( 9.023 -1.836 2.219) 9.472 2.292 ( 13.681 0.284 -7.975) 15.838 2.405 ( 7.653 -2.017 -0.379) 7.923 2.680 ( 23.687 -1.561 9.767) 25.670 2.796 ( 5.121 -4.277 16.624) 17.913 2.901 ( -0.234 -2.219 5.056) 5.527 3.026 ( -3.605 0.086 5.614) 6.672 3.132 ( -0.921 -2.429 5.056) 5.684 3.168 ( -4.083 5.356 1.897) 6.997 3.334 ( 9.722 -0.867 1.800) 9.925 3.406 ( 4.326 -3.799 -0.444) 5.774 3.476 ( -7.935 3.554 -3.345) 9.316 3.574 ( 4.483 2.701 0.600) 5.268 3.759 ( 9.371 0.246 19.027) 21.211 3.778 ( 4.663 1.544 9.621) 10.802 3.809 ( -0.737 2.168 5.035) 5.531 3.961 ( 3.547 -2.540 6.125) 7.520 3.995 ( 0.043 -3.649 10.803) 11.403 4.111 ( -1.473 4.998 17.760) 18.509 4.171 ( -9.053 4.979 17.194) 20.059 4.327 ( 0.079 5.512 6.099) 8.221 4.374 ( -0.682 2.049 -3.647) 4.239 4.424 ( 0.919 0.226 1.513) 1.785 4.476 ( -0.665 -5.538 10.106) 11.543 4.586 ( 0.414 -2.615 -0.073) 2.649 4.634 ( 0.863 0.285 6.803) 6.864 4.701 ( -3.017 1.673 0.797) 3.541 4.727 ( 3.829 -4.703 11.256) 12.785 4.787 ( -1.657 1.973 0.525) 2.629 4.877 ( -9.131 -4.979 3.647) 11.021 4.970 ( 0.599 -3.576 7.474) 8.307 5.047 ( -4.330 -2.020 2.490) 5.388 5.170 ( -3.320 -1.771 -2.540) 4.540 5.216 ( -9.054 -2.730 5.294) 10.838 5.275 ( -2.297 2.541 -4.180) 5.404 5.393 ( -0.729 -5.285 1.783) 5.625 5.457 ( -1.446 -5.034 -0.108) 5.238 5.540 ( -4.687 6.056 0.291) 7.664 5.579 ( -1.450 -6.518 -0.980) 6.748 5.626 ( 1.711 -1.677 3.380) 4.143 5.703 ( -0.825 -3.074 4.749) 5.717 5.773 ( -3.968 0.914 3.187) 5.171 5.817 ( 0.265 -0.701 2.824) 2.922 5.857 ( 7.822 -0.065 5.474) 9.547 5.922 ( 2.185 -4.012 -4.435) 6.367 6.009 ( -1.713 -1.418 -0.180) 2.231 6.060 ( 2.087 0.211 -4.749) 5.191 6.168 ( 0.221 -5.323 -2.464) 5.870 6.227 ( -0.112 1.489 1.854) 2.381 6.291 ( 4.209 -4.094 -0.195) 5.875 6.302 ( -7.904 1.033 0.277) 7.976 6.418 ( -1.446 -0.165 3.212) 3.527 6.468 ( -6.218 -1.558 -1.011) 6.489 6.530 ( -0.421 2.412 2.164) 3.268 6.614 ( 1.631 -5.768 1.076) 6.090 6.681 ( -4.173 6.971 3.225) 8.741 6.740 ( 1.305 0.248 5.521) 5.679 6.802 ( 2.329 0.047 3.498) 4.203 6.849 ( -1.698 -0.522 1.083) 2.081 6.943 ( 1.722 8.450 6.387) 10.732 7.030 ( -3.510 4.092 4.024) 6.728 7.061 ( 1.001 -6.776 2.124) 7.171 7.199 ( -5.925 -1.011 3.959) 7.197 7.309 ( -5.382 1.276 -0.814) 5.590 7.389 ( -1.281 1.976 -0.263) 2.370 7.425 ( -5.643 1.274 3.211) 6.616 7.748 ( -0.479 12.139 1.515) 12.242 7.930 ( 2.261 0.914 -9.552) 9.858 8.004 ( 2.723 3.673 -3.627) 5.836 8.085 ( 10.313 5.616 -10.025) 15.441 8.302 ( 4.490 -2.265 0.066) 5.029 8.424 ( -3.653 -10.526 -7.012) 13.164 8.456 ( 5.077 6.918 -1.986) 8.808 8.746 ( 0.436 -1.151 -2.616) 2.892 8.844 ( 8.658 -5.716 0.004) 10.375 8.911 ( -0.052 -6.565 -3.829) 7.600 8.997 ( -8.046 1.672 -0.193) 8.220 9.051 ( -5.310 1.858 -1.819) 5.913 9.184 ( -1.624 3.070 1.469) 3.771 9.365 ( -3.241 6.120 5.394) 8.778 9.603 ( 4.365 -7.129 0.255) 8.363 9.665 ( 0.779 -9.716 0.352) 9.753 9.730 ( 1.785 4.477 0.681) 4.868 9.983 ( -3.180 0.391 -0.783) 3.298 10.094 ( 1.236 -7.875 -1.015) 8.036 10.281 ( -4.717 1.757 -12.305) 13.295 10.324 ( 0.715 0.045 -0.492) 0.869 10.417 ( 8.011 2.551 -1.052) 8.473 10.472 ( 6.004 -0.345 -7.143) 9.338 10.572 ( 4.871 1.615 -8.388) 9.833 10.720 ( 3.127 9.040 1.563) 9.693 10.901 ( -1.226 2.665 0.654) 3.005 11.026 ( -0.158 4.856 -4.049) 6.325 11.143 ( -1.550 4.048 -8.446) 9.493 11.220 ( -4.424 1.093 -7.935) 9.151 11.366 ( -10.347 0.687 -13.392) 16.937 11.429 ( 5.513 -7.432 -8.778) 12.754 11.770 ( -0.527 -9.857 -0.608) 9.890 12.240 ( 1.582 -6.067 -2.175) 6.636 12.398 ( 0.872 -12.986 -2.228) 13.205 12.579 ( -0.790 -10.852 0.970) 10.924 12.689 ( 3.420 -18.516 -0.488) 18.836 13.619 ( -2.749 13.636 -3.835) 14.429 13.649 ( 0.155 26.096 -3.409) 26.318 13.764 ( 1.487 14.706 -2.159) 14.938 13.904 ( -3.248 5.948 -2.092) 7.092 14.031 ( 1.632 8.001 -4.683) 9.414 14.188 ( -3.056 -7.957 3.943) 9.391 14.352 ( 6.852 -1.419 -1.046) 7.075 14.563 ( -0.508 -0.820 -4.367) 4.472 14.709 ( -5.719 10.962 -1.359) 12.439 14.884 ( -0.846 -2.788 -0.947) 3.063 15.093 ( -6.938 5.179 5.264) 10.133 15.254 ( -1.569 -3.893 2.270) 4.771 15.343 ( 0.424 -0.380 2.840) 2.897 15.400 ( 0.179 -12.951 7.220) 14.829 15.540 ( 0.959 2.992 1.919) 3.681 15.778 ( -4.806 -7.918 3.762) 9.997 16.449 ( 0.109 11.556 3.301) 12.019 16.583 ( -3.098 6.198 2.086) 7.237 16.820 ( 3.420 -4.932 6.472) 8.826 16.875 ( 3.533 -5.218 7.247) 9.604 19.514 ( 0.306 3.274 0.366) 3.308 19.612 ( -2.012 3.943 1.285) 4.610 19.755 ( 1.824 -6.925 0.575) 7.184 19.882 ( -1.132 -7.227 -2.878) 7.861 25.482 ( 1.664 1.926 -0.567) 2.607 25.545 ( 2.442 -0.672 -1.541) 2.965 25.779 ( -3.666 3.409 -4.936) 7.030 25.874 ( -7.226 -0.662 -10.728) 12.952 27.226 ( -0.472 1.369 5.411) 5.601 27.301 ( -1.040 1.664 4.705) 5.098 27.357 ( 1.367 -0.976 3.867) 4.216 27.374 ( 0.180 -1.726 1.660) 2.401 27.480 ( 1.033 -2.047 1.125) 2.554 27.522 ( -0.038 -0.936 1.195) 1.518 27.584 ( -0.720 1.652 3.694) 4.110 27.633 ( -1.058 -0.696 1.162) 1.719 27.762 ( 1.403 1.044 4.723) 5.036 27.824 ( 0.784 0.641 4.154) 4.276 27.930 ( 4.440 -0.483 1.883) 4.847 27.958 ( 0.541 -1.016 0.382) 1.212 28.080 ( 2.801 5.226 -1.302) 6.070 28.300 ( 3.304 -4.707 -1.765) 6.016 28.374 ( 2.264 0.993 -3.883) 4.603 28.462 ( 3.601 -1.316 -3.737) 5.354 28.569 ( -0.438 2.288 -2.978) 3.781 28.645 ( 1.678 1.565 -1.479) 2.730 28.689 ( 0.019 2.320 -2.359) 3.308 28.822 ( 2.160 -3.496 -0.548) 4.146 30.518 ( -1.208 8.710 8.532) 12.253 30.856 ( -6.086 6.680 0.924) 9.084 31.056 ( -2.671 -12.808 6.287) 14.515 31.220 ( -2.942 -7.598 -1.655) 8.314 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.132 ( 23.987 9.039 6.430) 26.428 2.238 ( 19.798 12.233 6.486) 24.159 2.307 ( 19.468 -1.315 -4.410) 20.005 2.519 ( 0.162 8.437 3.185) 9.020 2.651 ( -5.096 -0.668 -3.872) 6.435 2.663 ( 5.362 -1.338 -7.382) 9.221 2.826 ( -13.284 0.698 -3.061) 13.650 2.852 ( -1.254 1.584 -0.413) 2.062 2.895 ( -2.965 2.100 1.497) 3.929 3.079 ( -6.135 -1.363 -9.764) 11.612 3.256 ( 7.833 0.718 5.939) 9.856 3.310 ( -2.394 -7.348 2.218) 8.040 3.447 ( 1.403 5.353 -4.305) 7.011 3.553 ( 6.127 2.519 5.345) 8.512 3.606 ( -8.375 3.484 7.491) 11.764 3.708 ( -4.797 2.458 6.614) 8.532 3.853 ( 0.216 -2.594 -1.278) 2.900 3.894 ( -1.828 -3.495 -3.941) 5.576 4.003 ( 4.951 -6.584 4.779) 9.524 4.081 ( 1.527 -8.921 5.998) 10.858 4.098 ( 6.670 4.771 17.890) 19.680 4.226 ( 6.052 4.733 16.788) 18.463 4.304 ( 5.587 0.435 11.460) 12.757 4.410 ( -0.095 -2.072 5.075) 5.482 4.451 ( 0.812 -0.790 5.662) 5.774 4.471 ( -1.116 -3.239 5.047) 6.100 4.529 ( 2.100 4.942 5.259) 7.516 4.608 ( -4.085 -5.715 9.258) 11.622 4.688 ( 2.890 6.123 5.964) 9.023 4.753 ( 1.053 3.731 1.079) 4.025 4.807 ( 2.473 3.591 4.043) 5.946 4.855 ( -7.330 2.516 3.315) 8.429 4.938 ( 3.478 -3.790 9.564) 10.859 5.009 ( -2.299 -1.595 7.255) 7.776 5.073 ( 0.239 1.530 6.476) 6.658 5.116 ( -4.014 1.173 0.728) 4.245 5.191 ( -2.347 1.046 -5.837) 6.378 5.300 ( -7.298 -6.903 4.493) 11.005 5.382 ( -4.264 -4.464 2.950) 6.842 5.470 ( -0.051 -4.521 -3.454) 5.689 5.508 ( -2.356 -0.392 1.884) 3.042 5.539 ( -3.361 -0.507 4.981) 6.031 5.690 ( 0.608 5.037 5.516) 7.494 5.777 ( 0.643 -0.799 7.762) 7.830 5.806 ( -2.456 3.575 -2.253) 4.887 5.842 ( 2.633 -2.546 3.725) 5.224 5.973 ( -5.524 -11.057 2.459) 12.602 6.011 ( -10.203 10.949 0.400) 14.971 6.120 ( 2.300 -6.895 1.836) 7.497 6.162 ( 3.065 1.169 6.864) 7.607 6.204 ( 7.671 -6.253 0.398) 9.905 6.296 ( 2.794 -2.327 0.574) 3.681 6.335 ( -2.462 -8.951 1.144) 9.354 6.374 ( 4.505 -3.782 6.717) 8.928 6.464 ( -5.777 -0.108 5.527) 7.996 6.506 ( -1.977 -0.708 6.404) 6.739 6.568 ( 7.505 -1.185 3.552) 8.387 6.690 ( -1.625 -6.953 7.257) 10.180 6.740 ( -4.009 -4.491 8.855) 10.707 6.754 ( -4.136 -3.451 7.119) 8.927 6.862 ( 0.550 4.751 2.571) 5.430 6.904 ( -2.380 2.369 4.738) 5.807 6.943 ( 1.918 4.017 4.448) 6.293 7.047 ( -4.960 -2.313 1.903) 5.794 7.171 ( 2.862 9.053 6.747) 11.648 7.216 ( -3.062 5.041 2.424) 6.377 7.308 ( -1.204 6.431 4.402) 7.886 7.389 ( -4.168 2.748 7.159) 8.728 7.784 ( 6.274 6.926 -7.320) 11.871 7.902 ( -2.817 1.843 -6.194) 7.050 8.070 ( 2.408 -3.447 -5.345) 6.801 8.184 ( -7.178 -10.754 -12.425) 17.932 8.340 ( 10.637 8.515 -8.660) 16.145 8.547 ( 9.793 -0.586 -0.479) 9.822 8.573 ( 1.466 7.960 -1.595) 8.249 8.673 ( -10.681 6.657 -8.762) 15.336 8.725 ( -2.265 4.388 -4.908) 6.962 8.808 ( -8.840 2.280 -0.747) 9.160 9.049 ( 3.951 -7.836 -2.918) 9.248 9.084 ( 2.656 -10.588 -7.929) 13.491 9.202 ( 5.422 4.896 1.840) 7.534 9.320 ( -2.945 5.822 0.937) 6.591 9.656 ( 0.835 -10.051 -1.002) 10.136 9.672 ( 0.767 -10.275 -6.655) 12.266 9.836 ( 7.460 -2.565 -1.871) 8.107 9.985 ( 3.522 -4.572 -3.750) 6.882 10.048 ( -11.644 -6.748 -1.938) 13.597 10.084 ( -3.431 -4.961 -3.327) 6.888 10.446 ( 5.433 6.422 -10.535) 13.481 10.511 ( -0.274 8.443 -12.411) 15.013 10.613 ( 8.847 1.843 -4.367) 10.036 10.690 ( 3.198 1.995 -8.049) 8.888 10.825 ( -2.445 10.986 0.180) 11.256 10.839 ( 1.543 10.122 -3.005) 10.671 11.036 ( 2.458 4.509 -11.162) 12.287 11.068 ( -2.102 10.275 -2.979) 10.903 11.124 ( -2.913 -3.065 -18.969) 19.434 11.197 ( -7.334 7.089 -4.744) 11.250 11.574 ( 6.648 -12.141 0.133) 13.843 11.702 ( -5.171 -11.176 1.335) 12.386 12.313 ( 4.910 -9.081 3.403) 10.870 12.391 ( -1.605 -11.475 2.651) 11.886 12.572 ( 0.968 -14.838 5.119) 15.726 12.654 ( -5.538 -19.262 5.909) 20.895 13.600 ( 1.558 13.266 -5.894) 14.600 13.644 ( -1.217 22.388 -5.568) 23.102 13.793 ( 1.100 16.811 -0.713) 16.862 13.837 ( -2.963 15.055 -0.548) 15.354 14.067 ( 2.246 1.288 -0.652) 2.670 14.126 ( -2.744 -6.311 0.916) 6.942 14.505 ( 4.324 -8.319 -2.587) 9.726 14.556 ( -2.405 -6.250 -4.414) 8.021 14.583 ( 2.424 13.564 3.532) 14.224 14.763 ( -8.929 -0.547 1.498) 9.070 15.114 ( 5.070 6.400 -1.436) 8.291 15.205 ( -3.108 0.227 0.011) 3.116 15.371 ( 1.885 -1.777 2.942) 3.920 15.404 ( -0.579 -8.475 5.805) 10.289 15.565 ( 2.657 -6.160 2.227) 7.068 15.662 ( -5.606 -11.220 2.579) 12.805 16.471 ( 1.842 13.117 2.698) 13.517 16.521 ( -2.672 11.538 2.331) 12.071 16.886 ( 2.369 -6.045 7.442) 9.876 16.912 ( 0.054 -5.914 8.134) 10.057 19.530 ( 1.202 3.704 0.994) 4.019 19.566 ( -2.103 4.066 1.383) 4.782 19.802 ( 2.414 -7.748 -0.706) 8.146 19.850 ( -1.925 -7.714 -1.923) 8.179 25.545 ( 4.226 2.546 -4.305) 6.548 25.608 ( 2.438 0.330 -1.323) 2.794 25.679 ( -4.531 1.038 -6.344) 7.865 25.725 ( -5.576 -0.297 -2.157) 5.987 27.228 ( 0.994 1.707 4.844) 5.232 27.265 ( -2.117 1.829 5.805) 6.444 27.379 ( 0.864 -4.844 3.366) 5.961 27.392 ( 0.222 -2.703 4.177) 4.980 27.494 ( 1.622 1.125 3.440) 3.966 27.530 ( -0.766 1.640 3.808) 4.216 27.579 ( 0.542 0.026 2.940) 2.989 27.602 ( -1.436 -0.259 2.671) 3.044 27.825 ( 4.237 0.953 3.484) 5.567 27.857 ( 2.574 0.087 2.178) 3.373 27.920 ( -2.937 -0.554 1.424) 3.311 27.923 ( -3.938 -0.496 2.397) 4.637 28.222 ( 7.960 3.900 -4.007) 9.728 28.360 ( -4.113 1.543 -5.065) 6.705 28.408 ( 5.972 -4.135 -3.201) 7.938 28.510 ( -1.593 -2.584 -4.022) 5.040 28.563 ( 1.591 5.035 -2.143) 5.699 28.627 ( -2.735 4.571 -2.222) 5.772 28.770 ( 5.808 -2.338 -1.267) 6.388 28.848 ( -0.783 -4.412 -1.349) 4.680 30.539 ( 4.048 9.802 5.926) 12.148 30.687 ( -8.710 9.088 2.492) 12.832 31.047 ( 2.164 -11.115 2.443) 11.584 31.130 ( -4.851 -9.336 -0.655) 10.541 ======================= Grid point 60 (25/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 -3.327 6.043) 6.898 1.945 ( 0.000 3.327 6.043) 6.898 2.219 ( 0.000 -2.202 7.513) 7.829 2.219 ( 0.000 2.202 7.513) 7.829 2.247 ( 0.000 -15.543 12.845) 20.164 2.247 ( 0.000 15.543 12.845) 20.164 2.523 ( 0.000 -24.633 12.373) 27.566 2.523 ( 0.000 24.633 12.373) 27.566 3.105 ( 0.000 -5.210 17.868) 18.612 3.105 ( 0.000 5.210 17.868) 18.612 3.262 ( 0.000 -3.922 -4.525) 5.988 3.262 ( 0.000 3.922 -4.525) 5.988 3.486 ( 0.000 -12.292 -6.832) 14.063 3.486 ( 0.000 12.292 -6.832) 14.063 3.560 ( 0.000 -2.596 0.753) 2.703 3.560 ( 0.000 2.596 0.753) 2.703 3.845 ( 0.000 -4.556 15.058) 15.732 3.845 ( 0.000 4.556 15.058) 15.732 3.948 ( 0.000 -5.845 15.451) 16.519 3.948 ( 0.000 5.845 15.451) 16.519 4.267 ( 0.000 -1.881 9.948) 10.125 4.267 ( 0.000 1.881 9.948) 10.125 4.370 ( 0.000 -5.448 27.350) 27.887 4.370 ( 0.000 5.448 27.350) 27.887 4.494 ( 0.000 -12.537 8.883) 15.365 4.494 ( 0.000 12.537 8.883) 15.365 4.501 ( 0.000 -2.492 -4.174) 4.862 4.501 ( 0.000 2.492 -4.174) 4.862 4.716 ( 0.000 -5.449 1.408) 5.628 4.716 ( 0.000 5.449 1.408) 5.628 4.871 ( 0.000 -0.923 -0.595) 1.098 4.871 ( 0.000 0.923 -0.595) 1.098 5.080 ( 0.000 -7.031 -2.916) 7.612 5.080 ( 0.000 7.031 -2.916) 7.612 5.154 ( 0.000 -8.364 5.700) 10.121 5.154 ( 0.000 8.364 5.700) 10.121 5.407 ( 0.000 -1.159 -0.947) 1.497 5.407 ( 0.000 1.159 -0.947) 1.497 5.445 ( 0.000 -6.439 1.099) 6.532 5.445 ( 0.000 6.439 1.099) 6.532 5.453 ( 0.000 -2.927 1.073) 3.117 5.453 ( 0.000 2.927 1.073) 3.117 5.727 ( 0.000 -4.137 -3.826) 5.635 5.727 ( 0.000 4.137 -3.826) 5.635 5.801 ( 0.000 -5.930 5.318) 7.965 5.801 ( 0.000 5.930 5.318) 7.965 6.006 ( 0.000 -3.014 -4.528) 5.439 6.006 ( 0.000 3.014 -4.528) 5.439 6.172 ( 0.000 -7.490 -1.430) 7.625 6.172 ( 0.000 7.490 -1.430) 7.625 6.197 ( 0.000 -2.094 1.887) 2.819 6.197 ( 0.000 2.094 1.887) 2.819 6.417 ( 0.000 -2.096 -0.922) 2.290 6.417 ( 0.000 2.096 -0.922) 2.290 6.486 ( 0.000 -0.192 0.763) 0.787 6.486 ( 0.000 0.192 0.763) 0.787 6.611 ( 0.000 -0.512 -2.231) 2.289 6.611 ( 0.000 0.512 -2.231) 2.289 6.815 ( 0.000 -0.530 3.338) 3.379 6.815 ( 0.000 0.530 3.338) 3.379 6.985 ( 0.000 -3.663 -2.923) 4.687 6.985 ( 0.000 3.663 -2.923) 4.687 7.117 ( 0.000 -8.699 4.955) 10.012 7.117 ( 0.000 8.699 4.955) 10.012 7.266 ( 0.000 -13.964 -1.246) 14.020 7.266 ( 0.000 13.964 -1.246) 14.020 7.507 ( 0.000 -1.364 -0.459) 1.440 7.507 ( 0.000 1.364 -0.459) 1.440 7.777 ( 0.000 -2.650 -3.501) 4.391 7.777 ( 0.000 2.650 -3.501) 4.391 8.150 ( 0.000 -10.195 0.329) 10.200 8.150 ( 0.000 10.195 0.329) 10.200 8.214 ( 0.000 -12.187 -14.864) 19.221 8.214 ( 0.000 12.187 -14.864) 19.221 8.557 ( 0.000 -8.087 2.794) 8.557 8.557 ( 0.000 8.087 2.794) 8.557 8.756 ( 0.000 -4.277 -0.551) 4.312 8.756 ( 0.000 4.277 -0.551) 4.312 9.117 ( 0.000 -3.941 2.368) 4.597 9.117 ( 0.000 3.941 2.368) 4.597 9.382 ( 0.000 -9.453 -2.878) 9.881 9.382 ( 0.000 9.453 -2.878) 9.881 9.541 ( 0.000 -6.497 15.980) 17.251 9.541 ( 0.000 6.497 15.980) 17.251 9.860 ( 0.000 -9.076 2.427) 9.395 9.860 ( 0.000 9.076 2.427) 9.395 10.220 ( 0.000 -1.613 1.393) 2.131 10.220 ( 0.000 1.613 1.393) 2.131 10.336 ( 0.000 -2.518 -12.971) 13.213 10.336 ( 0.000 2.518 -12.971) 13.213 10.482 ( 0.000 -6.925 -0.158) 6.927 10.482 ( 0.000 6.925 -0.158) 6.927 10.924 ( 0.000 -2.755 -1.711) 3.243 10.924 ( 0.000 2.755 -1.711) 3.243 10.939 ( 0.000 -7.502 3.616) 8.328 10.939 ( 0.000 7.502 3.616) 8.328 11.385 ( 0.000 -1.441 -16.797) 16.859 11.385 ( 0.000 1.441 -16.797) 16.859 11.514 ( 0.000 -13.626 -9.426) 16.568 11.514 ( 0.000 13.626 -9.426) 16.568 12.261 ( 0.000 -3.958 -6.405) 7.530 12.261 ( 0.000 3.958 -6.405) 7.530 12.451 ( 0.000 -0.491 0.625) 0.795 12.451 ( 0.000 0.491 0.625) 0.795 13.875 ( 0.000 -3.410 -1.361) 3.671 13.875 ( 0.000 3.410 -1.361) 3.671 13.986 ( 0.000 -4.937 -2.979) 5.766 13.986 ( 0.000 4.937 -2.979) 5.766 14.164 ( 0.000 -15.243 -4.195) 15.810 14.164 ( 0.000 15.243 -4.195) 15.810 14.292 ( 0.000 -18.448 -2.881) 18.671 14.292 ( 0.000 18.448 -2.881) 18.671 14.953 ( 0.000 -11.637 7.078) 13.621 14.953 ( 0.000 11.637 7.078) 13.621 15.196 ( 0.000 -13.202 -2.762) 13.488 15.196 ( 0.000 13.202 -2.762) 13.488 15.279 ( 0.000 -0.333 0.751) 0.821 15.279 ( 0.000 0.333 0.751) 0.821 15.712 ( 0.000 -9.139 2.059) 9.369 15.712 ( 0.000 9.139 2.059) 9.369 16.632 ( 0.000 -6.410 6.213) 8.927 16.632 ( 0.000 6.410 6.213) 8.927 16.720 ( 0.000 -2.772 5.120) 5.822 16.720 ( 0.000 2.772 5.120) 5.822 19.603 ( 0.000 -6.231 0.665) 6.266 19.603 ( 0.000 6.231 0.665) 6.266 19.749 ( 0.000 -7.398 -1.085) 7.478 19.749 ( 0.000 7.398 -1.085) 7.478 25.496 ( 0.000 -1.563 -0.578) 1.666 25.496 ( 0.000 1.563 -0.578) 1.666 25.915 ( 0.000 -4.030 -11.015) 11.729 25.915 ( 0.000 4.030 -11.015) 11.729 27.271 ( 0.000 -3.069 5.663) 6.441 27.271 ( 0.000 3.069 5.663) 6.441 27.375 ( 0.000 -3.040 1.012) 3.204 27.375 ( 0.000 3.040 1.012) 3.204 27.471 ( 0.000 -4.660 -2.245) 5.172 27.471 ( 0.000 4.660 -2.245) 5.172 27.614 ( 0.000 -0.219 1.302) 1.321 27.614 ( 0.000 0.219 1.302) 1.321 27.784 ( 0.000 -0.585 5.845) 5.875 27.784 ( 0.000 0.585 5.845) 5.875 27.904 ( 0.000 -2.174 3.919) 4.482 27.904 ( 0.000 2.174 3.919) 4.482 28.162 ( 0.000 -5.943 0.193) 5.946 28.162 ( 0.000 5.943 0.193) 5.946 28.369 ( 0.000 -1.843 -4.783) 5.126 28.369 ( 0.000 1.843 -4.783) 5.126 28.637 ( 0.000 -0.296 -2.867) 2.882 28.637 ( 0.000 0.296 -2.867) 2.882 28.728 ( 0.000 -3.568 -0.176) 3.573 28.728 ( 0.000 3.568 -0.176) 3.573 30.765 ( 0.000 -14.881 11.682) 18.918 30.765 ( 0.000 14.881 11.682) 18.918 31.100 ( 0.000 -8.499 -1.187) 8.581 31.100 ( 0.000 8.499 -1.187) 8.581 ======================= Grid point 62 (26/45) ======================= q-point: ( 0.20 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.869 ( 5.901 -6.489 6.810) 11.104 1.869 ( 5.901 6.489 6.810) 11.104 2.320 ( 11.966 -1.895 -7.178) 14.082 2.320 ( 11.966 1.895 -7.178) 14.082 2.484 ( 8.218 -23.050 7.003) 25.453 2.484 ( 8.218 23.050 7.003) 25.453 2.769 ( 14.788 -3.465 16.107) 22.139 2.769 ( 14.788 3.465 16.107) 22.139 3.063 ( -3.846 -4.056 7.821) 9.613 3.063 ( -3.846 4.056 7.821) 9.613 3.265 ( 1.855 -4.768 -3.405) 6.146 3.265 ( 1.855 4.768 -3.405) 6.146 3.466 ( -0.160 -8.026 -0.980) 8.087 3.466 ( -0.160 8.026 -0.980) 8.087 3.670 ( 6.993 -7.740 -2.039) 10.628 3.670 ( 6.993 7.740 -2.039) 10.628 3.846 ( 1.578 -2.789 9.692) 10.208 3.846 ( 1.578 2.789 9.692) 10.208 3.958 ( -0.683 -1.769 19.421) 19.513 3.958 ( -0.683 1.769 19.421) 19.513 4.201 ( -5.062 -3.492 22.702) 23.520 4.201 ( -5.062 3.492 22.702) 23.520 4.374 ( 0.268 -2.070 6.675) 6.994 4.374 ( 0.268 2.070 6.675) 6.994 4.465 ( -2.288 -2.854 1.534) 3.967 4.465 ( -2.288 2.854 1.534) 3.967 4.517 ( 1.726 -9.177 8.429) 12.580 4.517 ( 1.726 9.177 8.429) 12.580 4.698 ( -0.996 -3.255 1.836) 3.868 4.698 ( -0.996 3.255 1.836) 3.868 4.816 ( -0.946 -2.040 4.861) 5.356 4.816 ( -0.946 2.040 4.861) 5.356 5.020 ( -4.129 -8.359 -1.051) 9.382 5.020 ( -4.129 8.359 -1.051) 9.382 5.149 ( -1.532 -9.155 1.822) 9.459 5.149 ( -1.532 9.155 1.822) 9.459 5.295 ( -4.407 -2.710 3.277) 6.124 5.295 ( -4.407 2.710 3.277) 6.124 5.455 ( -0.281 -6.703 -4.074) 7.849 5.455 ( -0.281 6.703 -4.074) 7.849 5.611 ( 2.384 -1.144 2.099) 3.376 5.611 ( 2.384 1.144 2.099) 3.376 5.729 ( -1.208 -5.909 0.109) 6.032 5.729 ( -1.208 5.909 0.109) 6.032 5.827 ( 3.047 -2.820 3.976) 5.749 5.827 ( 3.047 2.820 3.976) 5.749 5.957 ( 0.762 -7.263 -3.162) 7.958 5.957 ( 0.762 7.263 -3.162) 7.958 6.095 ( -4.476 -2.902 -1.616) 5.574 6.095 ( -4.476 2.902 -1.616) 5.574 6.230 ( -1.233 -3.064 -0.092) 3.304 6.230 ( -1.233 3.064 -0.092) 3.304 6.339 ( -0.407 -5.713 5.811) 8.159 6.339 ( -0.407 5.713 5.811) 8.159 6.496 ( -5.140 -3.261 2.233) 6.484 6.496 ( -5.140 3.261 2.233) 6.484 6.641 ( 4.386 -6.431 -1.714) 7.971 6.641 ( 4.386 6.431 -1.714) 7.971 6.789 ( -5.364 -2.275 2.501) 6.340 6.789 ( -5.364 2.275 2.501) 6.340 6.909 ( -3.110 -7.338 3.703) 8.788 6.909 ( -3.110 7.338 3.703) 8.788 7.097 ( -2.714 -3.320 3.720) 5.677 7.097 ( -2.714 3.320 3.720) 5.677 7.257 ( 1.591 -7.784 3.833) 8.821 7.257 ( 1.591 7.784 3.833) 8.821 7.425 ( -5.208 -1.814 0.726) 5.563 7.425 ( -5.208 1.814 0.726) 5.563 7.899 ( 5.786 -4.687 -4.718) 8.815 7.899 ( 5.786 4.687 -4.718) 8.815 8.118 ( -5.299 -8.445 -11.319) 15.084 8.118 ( -5.299 8.445 -11.319) 15.084 8.268 ( 7.678 -5.196 -2.872) 9.705 8.268 ( 7.678 5.196 -2.872) 9.705 8.647 ( 6.628 -10.308 -0.890) 12.287 8.647 ( 6.628 10.308 -0.890) 12.287 8.791 ( 3.661 -2.969 -2.520) 5.344 8.791 ( 3.661 2.969 -2.520) 5.344 9.028 ( -7.062 -2.356 -0.930) 7.502 9.028 ( -7.062 2.356 -0.930) 7.502 9.366 ( -2.620 -11.295 0.935) 11.632 9.366 ( -2.620 11.295 0.935) 11.632 9.519 ( 0.372 -3.923 5.372) 6.662 9.519 ( 0.372 3.923 5.372) 6.662 9.866 ( 0.375 -9.259 1.837) 9.447 9.866 ( 0.375 9.259 1.837) 9.447 10.142 ( -7.982 -9.415 1.460) 12.429 10.142 ( -7.982 9.415 1.460) 12.429 10.397 ( 6.644 -4.952 -8.243) 11.688 10.397 ( 6.644 4.952 -8.243) 11.688 10.554 ( 6.771 -5.247 -9.178) 12.555 10.554 ( 6.771 5.247 -9.178) 12.555 10.952 ( 3.240 -10.854 -1.206) 11.392 10.952 ( 3.240 10.854 -1.206) 11.392 11.005 ( 2.974 -2.800 -0.817) 4.166 11.005 ( 2.974 2.800 -0.817) 4.166 11.336 ( -3.741 -3.800 -10.986) 12.212 11.336 ( -3.741 3.800 -10.986) 12.212 11.513 ( -1.171 -15.223 -7.517) 17.018 11.513 ( -1.171 15.223 -7.517) 17.018 12.252 ( -0.273 -5.209 -2.082) 5.616 12.252 ( -0.273 5.209 -2.082) 5.616 12.454 ( -0.657 -2.678 1.391) 3.088 12.454 ( -0.657 2.678 1.391) 3.088 13.835 ( -2.011 -8.432 -2.505) 9.023 13.835 ( -2.011 8.432 -2.505) 9.023 13.978 ( -1.261 -6.709 -2.586) 7.300 13.978 ( -1.261 6.709 -2.586) 7.300 14.168 ( 0.777 -12.785 -2.988) 13.152 14.168 ( 0.777 12.785 -2.988) 13.152 14.316 ( 1.089 -12.937 -4.592) 13.771 14.316 ( 1.089 12.937 -4.592) 13.771 14.939 ( -1.215 -14.741 7.294) 16.491 14.939 ( -1.215 14.741 7.294) 16.491 15.164 ( -7.149 -11.087 0.674) 13.209 15.164 ( -7.149 11.087 0.674) 13.209 15.264 ( 3.923 -7.138 -0.611) 8.168 15.264 ( 3.923 7.138 -0.611) 8.168 15.633 ( -5.625 -6.403 1.753) 8.702 15.633 ( -5.625 6.403 1.753) 8.702 16.655 ( 1.999 -7.429 5.900) 9.695 16.655 ( 1.999 7.429 5.900) 9.695 16.749 ( 1.594 -5.696 5.386) 8.000 16.749 ( 1.594 5.696 5.386) 8.000 19.610 ( 0.801 -6.585 0.832) 6.686 19.610 ( 0.801 6.585 0.832) 6.686 19.731 ( -1.609 -7.577 -0.722) 7.780 19.731 ( -1.609 7.577 -0.722) 7.780 25.521 ( 2.257 -1.814 -1.108) 3.101 25.521 ( 2.257 1.814 -1.108) 3.101 25.843 ( -5.796 -2.736 -8.721) 10.823 25.843 ( -5.796 2.736 -8.721) 10.823 27.276 ( 0.120 -3.871 4.895) 6.242 27.276 ( 0.120 3.871 4.895) 6.242 27.349 ( -1.235 -2.700 2.991) 4.215 27.349 ( -1.235 2.700 2.991) 4.215 27.490 ( 1.622 -2.175 -0.455) 2.751 27.490 ( 1.622 2.175 -0.455) 2.751 27.612 ( -0.708 -1.363 3.531) 3.850 27.612 ( -0.708 1.363 3.531) 3.850 27.800 ( 1.275 -2.372 4.456) 5.206 27.800 ( 1.275 2.372 4.456) 5.206 27.940 ( 1.482 -0.919 2.237) 2.836 27.940 ( 1.482 0.919 2.237) 2.836 28.192 ( 3.639 -6.132 -1.845) 7.365 28.192 ( 3.639 6.132 -1.845) 7.365 28.412 ( 2.955 -2.870 -5.373) 6.770 28.412 ( 2.955 2.870 -5.373) 6.770 28.639 ( 0.525 -2.703 -2.290) 3.581 28.639 ( 0.525 2.703 -2.290) 3.581 28.744 ( 0.966 -3.767 -0.772) 3.964 28.744 ( 0.966 3.767 -0.772) 3.964 30.751 ( -0.493 -14.769 9.791) 17.726 30.751 ( -0.493 14.769 9.791) 17.726 31.045 ( -4.928 -9.846 -0.760) 11.037 31.045 ( -4.928 9.846 -0.760) 11.037 ======================= Grid point 64 (27/45) ======================= q-point: ( 0.40 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.231 ( 22.836 -4.170 -3.014) 23.409 2.231 ( 22.836 4.170 -3.014) 23.409 2.546 ( 3.353 -9.838 0.991) 10.441 2.546 ( 3.353 9.838 0.991) 10.441 2.658 ( 4.381 -1.750 -6.754) 8.239 2.658 ( 4.381 1.750 -6.754) 8.239 2.821 ( -6.398 -3.541 0.336) 7.320 2.821 ( -6.398 3.541 0.336) 7.320 3.006 ( 4.602 -6.465 1.333) 8.047 3.006 ( 4.602 6.465 1.333) 8.047 3.230 ( -8.680 -0.930 -3.600) 9.443 3.230 ( -8.680 0.930 -3.600) 9.443 3.542 ( 7.380 -5.036 6.460) 11.026 3.542 ( 7.380 5.036 6.460) 11.026 3.743 ( -7.522 -6.522 1.557) 10.077 3.743 ( -7.522 6.522 1.557) 10.077 3.847 ( 0.968 -6.524 4.777) 8.144 3.847 ( 0.968 6.524 4.777) 8.144 3.902 ( -0.438 -7.348 5.931) 9.453 3.902 ( -0.438 7.348 5.931) 9.453 4.226 ( 6.595 -6.452 19.835) 21.876 4.226 ( 6.595 6.452 19.835) 21.876 4.344 ( -3.810 -5.084 1.210) 6.467 4.344 ( -3.810 5.084 1.210) 6.467 4.453 ( 2.378 -1.315 10.818) 11.154 4.453 ( 2.378 1.315 10.818) 11.154 4.545 ( -3.234 -2.559 11.914) 12.607 4.545 ( -3.234 2.559 11.914) 12.607 4.794 ( 12.546 -8.118 8.664) 17.273 4.794 ( 12.546 8.118 8.664) 17.273 4.860 ( 3.765 -3.411 0.873) 5.154 4.860 ( 3.765 3.411 0.873) 5.154 4.957 ( -0.471 -8.735 -1.861) 8.943 4.957 ( -0.471 8.735 -1.861) 8.943 5.072 ( -6.165 -14.326 2.405) 15.780 5.072 ( -6.165 14.326 2.405) 15.780 5.208 ( -1.148 -5.635 8.098) 9.933 5.208 ( -1.148 5.635 8.098) 9.933 5.359 ( -10.680 -8.011 -3.107) 13.707 5.359 ( -10.680 8.011 -3.107) 13.707 5.604 ( -0.076 -7.001 5.448) 8.871 5.604 ( -0.076 7.001 5.448) 8.871 5.638 ( -3.417 -11.223 1.243) 11.797 5.638 ( -3.417 11.223 1.243) 11.797 5.883 ( 4.146 -10.876 1.629) 11.753 5.883 ( 4.146 10.876 1.629) 11.753 6.008 ( -5.434 -10.571 0.812) 11.913 6.008 ( -5.434 10.571 0.812) 11.913 6.074 ( 5.206 -9.221 -0.067) 10.589 6.074 ( 5.206 9.221 -0.067) 10.589 6.244 ( -2.358 -5.659 3.304) 6.964 6.244 ( -2.358 5.659 3.304) 6.964 6.300 ( 1.780 -5.964 7.590) 9.816 6.300 ( 1.780 5.964 7.590) 9.816 6.433 ( -4.086 -2.655 8.888) 10.136 6.433 ( -4.086 2.655 8.888) 10.136 6.586 ( 0.477 -3.889 4.974) 6.332 6.586 ( 0.477 3.889 4.974) 6.332 6.704 ( -3.961 -2.020 4.764) 6.517 6.704 ( -3.961 2.020 4.764) 6.517 6.930 ( 2.725 -1.370 2.855) 4.178 6.930 ( 2.725 1.370 2.855) 4.178 7.007 ( -4.625 -1.873 2.349) 5.515 7.007 ( -4.625 1.873 2.349) 5.515 7.316 ( 2.491 -2.126 5.233) 6.174 7.316 ( 2.491 2.126 5.233) 6.174 7.351 ( -1.583 -1.706 2.421) 3.358 7.351 ( -1.583 1.706 2.421) 3.358 7.940 ( 0.537 -6.568 -8.522) 10.773 7.940 ( 0.537 6.568 -8.522) 10.773 8.002 ( -4.768 -4.997 -6.127) 9.233 8.002 ( -4.768 4.997 -6.127) 9.233 8.492 ( 12.280 -5.411 -4.509) 14.156 8.492 ( 12.280 5.411 -4.509) 14.156 8.726 ( -5.136 -2.918 -2.939) 6.597 8.726 ( -5.136 2.918 -2.939) 6.597 8.843 ( 1.337 -10.978 -3.086) 11.482 8.843 ( 1.337 10.978 -3.086) 11.482 8.896 ( -2.174 -7.312 -7.918) 10.995 8.896 ( -2.174 7.312 -7.918) 10.995 9.374 ( 5.051 -10.907 0.512) 12.030 9.374 ( 5.051 10.907 0.512) 12.030 9.505 ( -4.085 -7.671 -2.233) 8.973 9.505 ( -4.085 7.671 -2.233) 8.973 9.885 ( 2.289 -4.086 -0.727) 4.740 9.885 ( 2.289 4.086 -0.727) 4.740 9.975 ( -6.027 -2.646 -1.221) 6.695 9.975 ( -6.027 2.646 -1.221) 6.695 10.575 ( 8.170 -5.390 -9.624) 13.727 10.575 ( 8.170 5.390 -9.624) 13.727 10.667 ( 1.096 -5.656 -13.834) 14.986 10.667 ( 1.096 5.656 -13.834) 14.986 11.020 ( 1.854 -3.638 -3.362) 5.290 11.020 ( 1.854 3.638 -3.362) 5.290 11.042 ( 0.858 -3.048 -6.620) 7.338 11.042 ( 0.858 3.048 -6.620) 7.338 11.289 ( 1.992 -6.879 -2.162) 7.481 11.289 ( 1.992 6.879 -2.162) 7.481 11.423 ( -7.231 -12.945 -2.921) 15.113 11.423 ( -7.231 12.945 -2.921) 15.113 12.285 ( 3.753 -4.160 4.211) 7.009 12.285 ( 3.753 4.160 4.211) 7.009 12.391 ( -5.022 -3.497 4.843) 7.804 12.391 ( -5.022 3.497 4.843) 7.804 13.847 ( 3.095 -11.010 -3.840) 12.064 13.847 ( 3.095 11.010 -3.840) 12.064 13.926 ( -3.451 -8.958 -3.011) 10.061 13.926 ( -3.451 8.958 -3.011) 10.061 14.208 ( 3.118 -10.891 -3.261) 11.789 14.208 ( 3.118 10.891 -3.261) 11.789 14.291 ( -3.578 -8.163 -4.918) 10.180 14.291 ( -3.578 8.163 -4.918) 10.180 14.932 ( 1.619 -18.799 7.379) 20.260 14.932 ( 1.619 18.799 7.379) 20.260 15.014 ( -5.689 -15.940 5.535) 17.806 15.014 ( -5.689 15.940 5.535) 17.806 15.381 ( 6.147 -4.421 -2.185) 7.881 15.381 ( 6.147 4.421 -2.185) 7.881 15.511 ( -5.827 -1.191 -0.634) 5.981 15.511 ( -5.827 1.191 -0.634) 5.981 16.709 ( 2.703 -7.957 6.002) 10.327 16.709 ( 2.703 7.957 6.002) 10.327 16.755 ( -1.209 -7.482 5.896) 9.603 16.755 ( -1.209 7.482 5.896) 9.603 19.640 ( 1.955 -7.418 0.658) 7.700 19.640 ( 1.955 7.418 0.658) 7.700 19.687 ( -2.295 -7.806 -0.013) 8.136 19.687 ( -2.295 7.806 -0.013) 8.136 25.592 ( 4.452 -1.976 -2.652) 5.546 25.592 ( 4.452 1.976 -2.652) 5.546 25.708 ( -6.208 -1.513 -5.194) 8.235 25.708 ( -6.208 1.513 -5.194) 8.235 27.286 ( 1.117 -4.281 4.161) 6.074 27.286 ( 1.117 4.281 4.161) 6.074 27.321 ( -1.750 -3.763 4.764) 6.318 27.321 ( -1.750 3.763 4.764) 6.318 27.536 ( 2.477 -2.071 2.134) 3.870 27.536 ( 2.477 2.071 2.134) 3.870 27.584 ( -1.819 -1.439 4.383) 4.959 27.584 ( -1.819 1.439 4.383) 4.959 27.845 ( 3.020 -1.121 3.089) 4.463 27.845 ( 3.020 1.121 3.089) 4.463 27.917 ( -3.066 -0.166 2.374) 3.882 27.917 ( -3.066 0.166 2.374) 3.882 28.314 ( 6.565 -5.266 -4.048) 9.339 28.314 ( 6.565 5.266 -4.048) 9.339 28.424 ( -2.787 -4.719 -5.012) 7.427 28.424 ( -2.787 4.719 -5.012) 7.427 28.682 ( 3.423 -4.666 -1.895) 6.089 28.682 ( 3.423 4.666 -1.895) 6.089 28.743 ( -1.494 -5.072 -1.693) 5.552 28.743 ( -1.494 5.072 -1.693) 5.552 30.783 ( 3.970 -14.371 5.084) 15.752 30.783 ( 3.970 14.371 5.084) 15.752 30.909 ( -7.027 -12.468 1.031) 14.349 30.909 ( -7.027 12.468 1.031) 14.349 ======================= Grid point 75 (28/45) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.881 ( 0.000 0.000 30.050) 30.050 2.034 ( 0.000 0.000 10.513) 10.513 2.157 ( 0.000 0.000 11.164) 11.164 2.213 ( 0.000 0.000 8.023) 8.023 2.509 ( 0.000 0.000 18.715) 18.715 2.522 ( 0.000 0.000 10.484) 10.484 2.894 ( 0.000 0.000 -8.481) 8.481 3.002 ( 0.000 0.000 -8.949) 8.949 3.032 ( 0.000 0.000 -0.099) 0.099 3.171 ( 0.000 0.000 5.121) 5.121 3.351 ( 0.000 0.000 -10.169) 10.169 3.358 ( 0.000 0.000 -15.274) 15.274 3.392 ( 0.000 0.000 3.237) 3.237 3.422 ( 0.000 0.000 24.242) 24.242 3.457 ( 0.000 0.000 5.619) 5.619 3.694 ( 0.000 0.000 -3.213) 3.213 3.847 ( 0.000 0.000 3.821) 3.821 3.912 ( 0.000 0.000 -12.565) 12.565 4.141 ( 0.000 0.000 13.005) 13.005 4.201 ( 0.000 0.000 1.329) 1.329 4.263 ( 0.000 0.000 2.604) 2.604 4.267 ( 0.000 0.000 -4.445) 4.445 4.269 ( 0.000 0.000 -1.015) 1.015 4.335 ( 0.000 0.000 -4.475) 4.475 4.445 ( 0.000 0.000 15.898) 15.898 4.595 ( 0.000 0.000 -8.746) 8.746 4.656 ( 0.000 0.000 13.915) 13.915 4.728 ( 0.000 0.000 -4.650) 4.650 4.778 ( 0.000 0.000 2.975) 2.975 4.885 ( 0.000 0.000 -0.857) 0.857 4.986 ( 0.000 0.000 5.342) 5.342 5.087 ( 0.000 0.000 8.894) 8.894 5.165 ( 0.000 0.000 7.306) 7.306 5.261 ( 0.000 0.000 -5.894) 5.894 5.307 ( 0.000 0.000 -9.107) 9.107 5.336 ( 0.000 0.000 17.497) 17.497 5.412 ( 0.000 0.000 -7.410) 7.410 5.443 ( 0.000 0.000 16.042) 16.042 5.468 ( 0.000 0.000 5.171) 5.171 5.520 ( 0.000 0.000 1.930) 1.930 5.650 ( 0.000 0.000 1.567) 1.567 5.726 ( 0.000 0.000 3.384) 3.384 5.774 ( 0.000 0.000 -1.902) 1.902 5.802 ( 0.000 0.000 11.502) 11.502 5.895 ( 0.000 0.000 1.142) 1.142 5.946 ( 0.000 0.000 1.003) 1.003 5.961 ( 0.000 0.000 1.869) 1.869 6.015 ( 0.000 0.000 -6.981) 6.981 6.099 ( 0.000 0.000 0.079) 0.079 6.189 ( 0.000 0.000 2.271) 2.271 6.217 ( 0.000 0.000 -4.514) 4.514 6.263 ( 0.000 0.000 6.133) 6.133 6.397 ( 0.000 0.000 8.296) 8.296 6.439 ( 0.000 0.000 -2.482) 2.482 6.496 ( 0.000 0.000 -2.344) 2.344 6.544 ( 0.000 0.000 -1.657) 1.657 6.614 ( 0.000 0.000 -12.983) 12.983 6.652 ( 0.000 0.000 2.488) 2.488 6.788 ( 0.000 0.000 6.144) 6.144 6.834 ( 0.000 0.000 2.043) 2.043 6.880 ( 0.000 0.000 7.765) 7.765 6.975 ( 0.000 0.000 25.116) 25.116 7.071 ( 0.000 0.000 8.088) 8.088 7.265 ( 0.000 0.000 -3.080) 3.080 7.335 ( 0.000 0.000 4.982) 4.982 7.379 ( 0.000 0.000 0.092) 0.092 7.398 ( 0.000 0.000 3.427) 3.427 7.555 ( 0.000 0.000 7.735) 7.735 7.694 ( 0.000 0.000 -0.438) 0.438 7.750 ( 0.000 0.000 5.444) 5.444 7.820 ( 0.000 0.000 1.744) 1.744 7.833 ( 0.000 0.000 -3.071) 3.071 8.152 ( 0.000 0.000 -7.798) 7.798 8.259 ( 0.000 0.000 -10.844) 10.844 8.446 ( 0.000 0.000 -10.924) 10.924 8.731 ( 0.000 0.000 -2.863) 2.863 8.763 ( 0.000 0.000 -3.323) 3.323 8.905 ( 0.000 0.000 -11.940) 11.940 9.137 ( 0.000 0.000 1.824) 1.824 9.185 ( 0.000 0.000 4.921) 4.921 9.188 ( 0.000 0.000 2.069) 2.069 9.460 ( 0.000 0.000 -5.682) 5.682 9.570 ( 0.000 0.000 11.866) 11.866 9.636 ( 0.000 0.000 0.151) 0.151 9.690 ( 0.000 0.000 -1.713) 1.713 9.958 ( 0.000 0.000 -13.169) 13.169 9.958 ( 0.000 0.000 -7.778) 7.778 10.170 ( 0.000 0.000 2.696) 2.696 10.240 ( 0.000 0.000 -2.713) 2.713 10.305 ( 0.000 0.000 -1.506) 1.506 10.328 ( 0.000 0.000 -1.271) 1.271 10.401 ( 0.000 0.000 -11.763) 11.763 10.593 ( 0.000 0.000 -6.757) 6.757 10.781 ( 0.000 0.000 -15.713) 15.713 10.947 ( 0.000 0.000 1.480) 1.480 11.076 ( 0.000 0.000 -5.377) 5.377 11.127 ( 0.000 0.000 6.875) 6.875 11.189 ( 0.000 0.000 -5.967) 5.967 11.604 ( 0.000 0.000 -12.236) 12.236 11.707 ( 0.000 0.000 -6.631) 6.631 12.070 ( 0.000 0.000 2.413) 2.413 12.424 ( 0.000 0.000 -5.143) 5.143 12.733 ( 0.000 0.000 3.275) 3.275 12.877 ( 0.000 0.000 0.496) 0.496 13.302 ( 0.000 0.000 3.336) 3.336 13.443 ( 0.000 0.000 -3.939) 3.939 13.621 ( 0.000 0.000 8.010) 8.010 13.755 ( 0.000 0.000 -2.326) 2.326 13.897 ( 0.000 0.000 -2.653) 2.653 14.157 ( 0.000 0.000 -4.558) 4.558 14.420 ( 0.000 0.000 8.364) 8.364 14.596 ( 0.000 0.000 4.441) 4.441 14.727 ( 0.000 0.000 6.174) 6.174 14.970 ( 0.000 0.000 -4.617) 4.617 15.235 ( 0.000 0.000 0.010) 0.010 15.338 ( 0.000 0.000 -0.080) 0.080 15.459 ( 0.000 0.000 6.112) 6.112 15.483 ( 0.000 0.000 3.934) 3.934 15.722 ( 0.000 0.000 5.556) 5.556 15.951 ( 0.000 0.000 -1.165) 1.165 16.372 ( 0.000 0.000 2.387) 2.387 16.581 ( 0.000 0.000 -2.375) 2.375 16.941 ( 0.000 0.000 4.751) 4.751 16.958 ( 0.000 0.000 4.022) 4.022 19.521 ( 0.000 0.000 3.332) 3.332 19.651 ( 0.000 0.000 2.990) 2.990 19.795 ( 0.000 0.000 -1.506) 1.506 19.871 ( 0.000 0.000 -5.106) 5.106 25.466 ( 0.000 0.000 -0.963) 0.963 25.517 ( 0.000 0.000 3.306) 3.306 25.719 ( 0.000 0.000 -9.652) 9.652 25.725 ( 0.000 0.000 -2.631) 2.631 27.320 ( 0.000 0.000 1.002) 1.002 27.345 ( 0.000 0.000 1.949) 1.949 27.388 ( 0.000 0.000 7.551) 7.551 27.491 ( 0.000 0.000 -0.498) 0.498 27.505 ( 0.000 0.000 -4.014) 4.014 27.518 ( 0.000 0.000 5.721) 5.721 27.601 ( 0.000 0.000 -0.038) 0.038 27.638 ( 0.000 0.000 -0.901) 0.901 27.781 ( 0.000 0.000 1.439) 1.439 27.837 ( 0.000 0.000 3.287) 3.287 27.904 ( 0.000 0.000 3.663) 3.663 28.026 ( 0.000 0.000 -0.332) 0.332 28.037 ( 0.000 0.000 2.648) 2.648 28.240 ( 0.000 0.000 -6.973) 6.973 28.369 ( 0.000 0.000 -3.619) 3.619 28.392 ( 0.000 0.000 2.263) 2.263 28.464 ( 0.000 0.000 -6.886) 6.886 28.505 ( 0.000 0.000 1.184) 1.184 28.606 ( 0.000 0.000 -4.217) 4.217 28.775 ( 0.000 0.000 -4.036) 4.036 30.664 ( 0.000 0.000 10.559) 10.559 30.894 ( 0.000 0.000 2.050) 2.050 31.295 ( 0.000 0.000 0.728) 0.728 31.332 ( 0.000 0.000 2.138) 2.138 ======================= Grid point 76 (29/45) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.968 ( -3.785 0.000 11.233) 11.854 1.995 ( 9.994 0.000 17.980) 20.571 2.076 ( 5.990 0.000 14.440) 15.633 2.253 ( 5.176 0.000 6.659) 8.434 2.549 ( 2.379 0.000 10.010) 10.288 2.806 ( 12.904 0.000 -4.504) 13.668 2.888 ( -0.983 0.000 -6.675) 6.747 2.907 ( -9.522 0.000 -6.011) 11.261 2.941 ( -6.772 0.000 -2.985) 7.401 3.145 ( -9.954 0.000 -10.218) 14.265 3.244 ( 2.746 0.000 4.040) 4.885 3.263 ( -7.402 0.000 12.464) 14.497 3.351 ( -4.432 0.000 -10.185) 11.107 3.509 ( 8.615 0.000 -5.667) 10.312 3.615 ( 3.056 0.000 11.250) 11.657 3.729 ( 1.927 0.000 -2.185) 2.913 3.821 ( -1.708 0.000 -4.688) 4.990 3.967 ( 5.428 0.000 -11.416) 12.640 4.138 ( -8.511 0.000 2.527) 8.878 4.148 ( -4.020 0.000 2.682) 4.832 4.204 ( -1.226 0.000 -1.429) 1.883 4.256 ( 2.685 0.000 4.844) 5.538 4.322 ( 5.179 0.000 2.966) 5.968 4.359 ( -3.010 0.000 9.796) 10.247 4.452 ( 5.250 0.000 -1.170) 5.379 4.520 ( -0.754 0.000 6.266) 6.311 4.654 ( 3.913 0.000 -0.475) 3.942 4.753 ( -1.807 0.000 4.325) 4.687 4.775 ( 0.376 0.000 2.869) 2.894 4.919 ( -8.860 0.000 11.993) 14.911 4.978 ( 1.150 0.000 -0.156) 1.161 5.065 ( 2.853 0.000 -2.882) 4.056 5.079 ( -1.889 0.000 3.171) 3.691 5.115 ( -0.407 0.000 6.629) 6.642 5.233 ( -7.803 0.000 -0.498) 7.819 5.332 ( -10.218 0.000 4.781) 11.281 5.365 ( -1.129 0.000 -2.148) 2.427 5.382 ( -6.282 0.000 13.317) 14.724 5.475 ( -0.687 0.000 3.017) 3.095 5.585 ( -0.798 0.000 2.972) 3.077 5.693 ( 4.078 0.000 3.999) 5.711 5.703 ( -6.462 0.000 3.243) 7.231 5.818 ( 7.135 0.000 3.193) 7.817 5.841 ( 0.578 0.000 -1.529) 1.635 5.890 ( 15.386 0.000 7.848) 17.272 5.919 ( -1.294 0.000 1.355) 1.874 6.020 ( 2.739 0.000 4.358) 5.147 6.031 ( -4.576 0.000 2.298) 5.121 6.169 ( 0.689 0.000 -5.211) 5.256 6.178 ( 3.449 0.000 0.575) 3.496 6.259 ( 2.012 0.000 1.218) 2.352 6.303 ( -2.436 0.000 3.767) 4.486 6.434 ( -3.011 0.000 3.263) 4.440 6.450 ( 10.337 0.000 5.469) 11.695 6.529 ( 5.014 0.000 5.750) 7.629 6.559 ( 1.196 0.000 -0.676) 1.373 6.595 ( 5.258 0.000 4.309) 6.798 6.692 ( 3.467 0.000 3.324) 4.803 6.863 ( 4.610 0.000 10.060) 11.066 6.911 ( 5.660 0.000 5.861) 8.148 6.966 ( 2.369 0.000 1.330) 2.717 7.047 ( 7.035 0.000 15.005) 16.573 7.130 ( 3.915 0.000 6.346) 7.457 7.185 ( -6.968 0.000 -0.238) 6.973 7.297 ( 0.774 0.000 4.653) 4.717 7.311 ( -5.158 0.000 6.567) 8.351 7.441 ( 0.203 0.000 4.031) 4.036 7.482 ( -4.775 0.000 12.019) 12.933 7.716 ( -0.635 0.000 4.955) 4.996 7.813 ( 1.406 0.000 1.194) 1.845 7.835 ( 7.915 0.000 -7.265) 10.743 7.925 ( 4.382 0.000 -0.444) 4.404 8.243 ( 3.936 0.000 -9.230) 10.035 8.261 ( -0.359 0.000 -14.121) 14.125 8.380 ( -2.255 0.000 -12.012) 12.222 8.569 ( -12.319 0.000 -9.870) 15.785 8.706 ( -16.350 0.000 -7.788) 18.110 8.762 ( 0.998 0.000 -9.801) 9.851 9.104 ( -6.339 0.000 6.564) 9.126 9.125 ( -3.394 0.000 4.175) 5.380 9.197 ( 2.743 0.000 0.393) 2.771 9.338 ( -7.262 0.000 0.755) 7.301 9.588 ( 2.086 0.000 -7.405) 7.693 9.670 ( -1.404 0.000 -3.051) 3.358 9.737 ( 2.011 0.000 -4.194) 4.651 9.873 ( -6.772 0.000 -13.064) 14.715 9.934 ( 5.310 0.000 0.678) 5.353 10.158 ( -3.940 0.000 -1.860) 4.357 10.287 ( 3.105 0.000 -3.477) 4.662 10.332 ( -3.340 0.000 -2.896) 4.420 10.435 ( 6.231 0.000 -2.766) 6.817 10.503 ( 9.456 0.000 -2.270) 9.724 10.538 ( -2.543 0.000 -11.805) 12.075 10.765 ( -1.286 0.000 -16.978) 17.027 10.887 ( -10.619 0.000 -0.914) 10.658 10.893 ( -2.870 0.000 1.680) 3.325 11.049 ( -2.580 0.000 -4.719) 5.378 11.108 ( -11.240 0.000 -3.765) 11.854 11.580 ( 9.854 0.000 3.953) 10.618 11.865 ( 1.000 0.000 -1.768) 2.031 12.288 ( 12.549 0.000 -2.699) 12.836 12.461 ( 4.537 0.000 -5.553) 7.171 12.782 ( 4.068 0.000 3.816) 5.578 12.945 ( 5.627 0.000 -1.247) 5.764 13.296 ( -0.376 0.000 2.123) 2.156 13.406 ( -3.209 0.000 -3.877) 5.032 13.622 ( -0.413 0.000 8.548) 8.558 13.748 ( -0.391 0.000 -0.423) 0.576 13.923 ( 3.588 0.000 -1.527) 3.900 14.246 ( 5.764 0.000 -4.716) 7.448 14.412 ( 0.411 0.000 6.272) 6.285 14.569 ( -2.378 0.000 3.235) 4.014 14.657 ( -5.087 0.000 5.697) 7.637 14.935 ( -3.971 0.000 -4.877) 6.289 15.102 ( -9.490 0.000 3.059) 9.971 15.249 ( -7.037 0.000 -0.651) 7.067 15.439 ( 0.669 0.000 6.193) 6.229 15.540 ( 1.486 0.000 1.848) 2.371 15.761 ( 3.401 0.000 5.562) 6.519 15.947 ( -0.495 0.000 -0.143) 0.515 16.339 ( -2.126 0.000 2.213) 3.069 16.490 ( -6.449 0.000 -1.183) 6.556 16.989 ( 4.190 0.000 4.467) 6.125 17.040 ( 4.541 0.000 3.326) 5.629 19.524 ( 0.377 0.000 3.292) 3.314 19.626 ( -2.040 0.000 2.844) 3.500 19.811 ( 1.321 0.000 -1.663) 2.124 19.871 ( -0.096 0.000 -4.635) 4.636 25.433 ( -1.280 0.000 -1.022) 1.638 25.572 ( 2.863 0.000 2.205) 3.613 25.624 ( -4.901 0.000 -6.859) 8.430 25.752 ( -0.315 0.000 -2.988) 3.005 27.300 ( -1.614 0.000 3.028) 3.431 27.365 ( 3.694 0.000 0.722) 3.763 27.421 ( 0.805 0.000 7.068) 7.114 27.496 ( 0.719 0.000 0.630) 0.956 27.504 ( 0.314 0.000 -1.806) 1.833 27.544 ( 0.536 0.000 0.149) 0.557 27.601 ( -1.982 0.000 2.067) 2.863 27.621 ( 1.478 0.000 0.730) 1.648 27.821 ( 0.305 0.000 2.242) 2.262 27.888 ( -0.876 0.000 3.955) 4.051 27.908 ( 8.976 0.000 -1.024) 9.035 28.006 ( -2.373 0.000 0.400) 2.406 28.024 ( -0.634 0.000 0.175) 0.658 28.291 ( 1.199 0.000 -7.631) 7.725 28.338 ( 0.861 0.000 -1.278) 1.541 28.378 ( 0.185 0.000 0.939) 0.957 28.506 ( 1.945 0.000 -5.257) 5.605 28.571 ( -1.004 0.000 -4.058) 4.180 28.612 ( 6.155 0.000 0.635) 6.188 28.809 ( 2.675 0.000 -3.781) 4.631 30.628 ( -2.735 0.000 10.099) 10.462 30.828 ( -5.787 0.000 2.675) 6.375 31.249 ( -3.389 0.000 2.226) 4.055 31.296 ( -3.087 0.000 1.041) 3.257 ======================= Grid point 77 (30/45) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.154 ( 19.709 0.000 -2.031) 19.813 2.260 ( 14.735 0.000 -1.876) 14.853 2.342 ( 16.379 0.000 13.140) 20.999 2.463 ( 13.648 0.000 -4.742) 14.448 2.558 ( -7.469 0.000 3.770) 8.366 2.650 ( -12.149 0.000 -2.231) 12.352 2.667 ( -23.856 0.000 -8.416) 25.297 2.751 ( -11.223 0.000 -14.091) 18.014 2.826 ( 1.005 0.000 2.002) 2.240 3.035 ( -13.764 0.000 12.213) 18.401 3.095 ( 6.571 0.000 -13.086) 14.643 3.227 ( -5.935 0.000 -14.815) 15.960 3.411 ( 9.752 0.000 5.948) 11.423 3.597 ( -4.518 0.000 -3.372) 5.637 3.646 ( 1.993 0.000 2.997) 3.599 3.721 ( -5.008 0.000 -6.615) 8.297 3.773 ( 4.127 0.000 -2.464) 4.807 3.904 ( -9.122 0.000 2.013) 9.342 4.092 ( 1.604 0.000 -3.663) 3.999 4.131 ( -1.598 0.000 -6.185) 6.388 4.201 ( 7.426 0.000 -0.199) 7.429 4.283 ( 4.692 0.000 3.519) 5.865 4.354 ( -0.728 0.000 0.180) 0.750 4.404 ( -9.741 0.000 -3.284) 10.280 4.517 ( 7.871 0.000 1.398) 7.994 4.641 ( 6.596 0.000 4.587) 8.035 4.716 ( 7.212 0.000 5.771) 9.237 4.762 ( 2.029 0.000 3.046) 3.660 4.813 ( -8.300 0.000 6.444) 10.508 4.829 ( -2.803 0.000 8.937) 9.366 4.922 ( 9.231 0.000 7.252) 11.739 4.966 ( -6.932 0.000 0.898) 6.990 5.034 ( -8.913 0.000 -0.779) 8.947 5.143 ( -8.177 0.000 1.572) 8.327 5.144 ( 0.426 0.000 4.096) 4.118 5.184 ( -1.809 0.000 8.938) 9.119 5.226 ( 5.375 0.000 2.272) 5.835 5.434 ( -9.739 0.000 -3.009) 10.193 5.460 ( 8.202 0.000 1.119) 8.278 5.555 ( 4.742 0.000 13.722) 14.518 5.679 ( -3.381 0.000 -5.132) 6.146 5.699 ( 4.975 0.000 12.633) 13.578 5.790 ( -8.157 0.000 7.087) 10.806 5.861 ( -9.139 0.000 7.859) 12.053 5.896 ( 5.363 0.000 10.221) 11.543 5.954 ( 1.011 0.000 4.806) 4.911 6.112 ( 5.555 0.000 8.752) 10.366 6.162 ( 1.918 0.000 -0.729) 2.051 6.204 ( 1.579 0.000 -3.788) 4.104 6.230 ( -4.561 0.000 11.965) 12.805 6.299 ( 4.550 0.000 0.690) 4.602 6.364 ( -0.888 0.000 0.398) 0.973 6.370 ( 13.751 0.000 6.161) 15.068 6.595 ( -2.277 0.000 8.358) 8.663 6.620 ( 2.585 0.000 5.199) 5.806 6.651 ( -0.181 0.000 10.291) 10.292 6.676 ( 9.511 0.000 11.945) 15.269 6.820 ( 6.782 0.000 1.199) 6.888 6.866 ( -7.513 0.000 3.890) 8.460 6.960 ( -6.465 0.000 3.372) 7.292 7.047 ( 8.159 0.000 8.989) 12.139 7.060 ( 3.269 0.000 8.667) 9.263 7.155 ( -0.198 0.000 12.757) 12.758 7.165 ( -2.779 0.000 7.257) 7.771 7.300 ( 7.061 0.000 15.950) 17.443 7.350 ( 1.096 0.000 8.945) 9.012 7.406 ( -2.499 0.000 15.287) 15.490 7.512 ( 3.919 0.000 -0.877) 4.016 7.597 ( -3.256 0.000 14.627) 14.985 7.812 ( -4.458 0.000 -2.640) 5.181 7.942 ( 3.780 0.000 -14.008) 14.509 8.024 ( 3.886 0.000 -3.310) 5.105 8.104 ( -10.513 0.000 -15.328) 18.587 8.179 ( -10.850 0.000 -19.272) 22.116 8.355 ( -0.938 0.000 -12.955) 12.989 8.437 ( -5.893 0.000 -7.208) 9.310 8.537 ( 11.043 0.000 -8.684) 14.049 8.758 ( -6.793 0.000 -14.676) 16.172 9.028 ( 5.223 0.000 -1.007) 5.319 9.113 ( 2.222 0.000 0.959) 2.420 9.187 ( -4.927 0.000 -3.695) 6.159 9.200 ( -5.489 0.000 0.031) 5.489 9.643 ( 3.212 0.000 -13.204) 13.589 9.656 ( 0.698 0.000 -5.356) 5.401 9.716 ( -3.008 0.000 -13.456) 13.788 9.724 ( -5.858 0.000 -10.736) 12.230 10.109 ( -0.034 0.000 -3.784) 3.784 10.113 ( 9.324 0.000 3.360) 9.911 10.181 ( -6.845 0.000 -6.567) 9.486 10.278 ( -4.580 0.000 -1.463) 4.808 10.553 ( 3.660 0.000 -11.135) 11.721 10.554 ( 3.730 0.000 -0.202) 3.736 10.594 ( 0.003 0.000 -2.191) 2.191 10.671 ( -6.609 0.000 -11.580) 13.333 10.828 ( 3.578 0.000 -2.875) 4.590 10.916 ( 3.793 0.000 2.015) 4.295 10.937 ( -6.051 0.000 -4.666) 7.641 10.986 ( -2.835 0.000 -1.405) 3.164 11.747 ( 5.399 0.000 1.974) 5.749 11.835 ( -3.062 0.000 -0.279) 3.075 12.482 ( 6.668 0.000 1.185) 6.773 12.546 ( 1.020 0.000 -1.304) 1.655 12.896 ( 6.498 0.000 4.519) 7.915 13.011 ( -1.908 0.000 0.607) 2.003 13.295 ( 0.530 0.000 -0.665) 0.850 13.331 ( -2.986 0.000 -2.965) 4.208 13.636 ( 2.204 0.000 7.079) 7.415 13.704 ( -3.404 0.000 3.951) 5.215 14.066 ( 8.578 0.000 0.707) 8.607 14.236 ( -6.137 0.000 1.664) 6.359 14.510 ( 2.232 0.000 3.425) 4.088 14.535 ( 0.370 0.000 -0.867) 0.943 14.588 ( 4.079 0.000 0.570) 4.119 14.789 ( -9.351 0.000 -5.358) 10.777 14.983 ( 0.269 0.000 1.586) 1.608 15.085 ( -7.524 0.000 -1.182) 7.617 15.474 ( 2.486 0.000 4.111) 4.805 15.530 ( -2.111 0.000 2.138) 3.005 15.848 ( 4.163 0.000 4.537) 6.157 15.920 ( -2.317 0.000 2.221) 3.209 16.316 ( 0.464 0.000 1.390) 1.466 16.368 ( -4.337 0.000 0.126) 4.338 17.073 ( 2.951 0.000 4.249) 5.173 17.099 ( 0.721 0.000 3.707) 3.776 19.541 ( 1.261 0.000 3.121) 3.366 19.578 ( -2.137 0.000 2.897) 3.600 19.841 ( 1.348 0.000 -2.487) 2.828 19.864 ( -0.675 0.000 -3.617) 3.680 25.434 ( 1.572 0.000 -2.767) 3.182 25.501 ( -4.554 0.000 -4.826) 6.635 25.656 ( 3.383 0.000 1.082) 3.551 25.720 ( -2.421 0.000 -0.446) 2.461 27.305 ( 2.097 0.000 3.706) 4.258 27.378 ( -4.068 0.000 5.555) 6.885 27.448 ( 3.660 0.000 0.752) 3.736 27.511 ( -1.706 0.000 2.458) 2.992 27.528 ( 2.034 0.000 -0.781) 2.179 27.557 ( 2.925 0.000 -2.094) 3.597 27.566 ( -1.486 0.000 2.168) 2.629 27.623 ( -1.969 0.000 0.003) 1.969 27.865 ( 3.150 0.000 1.133) 3.347 27.903 ( 2.709 0.000 4.296) 5.079 27.939 ( -3.543 0.000 -0.076) 3.544 27.979 ( -3.464 0.000 2.643) 4.357 28.105 ( 8.265 0.000 -3.314) 8.904 28.239 ( -4.244 0.000 -6.067) 7.404 28.421 ( 3.532 0.000 -1.988) 4.053 28.429 ( 4.800 0.000 -0.974) 4.898 28.506 ( -3.913 0.000 -3.694) 5.381 28.507 ( -2.030 0.000 -3.149) 3.746 28.773 ( 6.608 0.000 -0.855) 6.663 28.848 ( -0.199 0.000 -2.731) 2.738 30.596 ( 0.900 0.000 8.079) 8.129 30.682 ( -6.591 0.000 4.844) 8.179 31.195 ( -0.826 0.000 2.256) 2.403 31.223 ( -3.021 0.000 1.000) 3.182 ======================= Grid point 80 (31/45) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 10.328 18.102) 20.842 2.045 ( 0.000 1.224 9.801) 9.877 2.200 ( 0.000 3.854 10.208) 10.911 2.213 ( 0.000 1.412 10.359) 10.455 2.494 ( 0.000 -0.765 11.667) 11.692 2.552 ( 0.000 3.992 15.753) 16.251 2.973 ( 0.000 3.697 -8.351) 9.133 3.020 ( 0.000 -3.524 -0.326) 3.539 3.030 ( 0.000 3.629 -6.720) 7.637 3.137 ( 0.000 -3.206 7.650) 8.295 3.219 ( 0.000 -6.199 13.337) 14.707 3.246 ( 0.000 -4.641 -9.197) 10.302 3.327 ( 0.000 -3.815 -3.903) 5.458 3.532 ( 0.000 4.812 7.321) 8.760 3.565 ( 0.000 -7.145 -1.859) 7.383 3.577 ( 0.000 1.943 0.892) 2.138 3.890 ( 0.000 0.375 -11.042) 11.048 3.928 ( 0.000 5.799 2.199) 6.202 4.130 ( 0.000 0.394 7.664) 7.674 4.236 ( 0.000 1.809 1.493) 2.345 4.299 ( 0.000 5.792 -0.650) 5.829 4.349 ( 0.000 2.120 -3.994) 4.522 4.380 ( 0.000 7.751 -1.543) 7.903 4.406 ( 0.000 9.445 2.273) 9.714 4.518 ( 0.000 7.689 12.014) 14.264 4.565 ( 0.000 -2.438 -6.473) 6.917 4.621 ( 0.000 -3.672 7.141) 8.030 4.728 ( 0.000 -2.894 8.900) 9.359 4.758 ( 0.000 1.969 1.542) 2.500 4.823 ( 0.000 -2.776 3.567) 4.520 4.968 ( 0.000 -7.665 6.536) 10.073 5.086 ( 0.000 4.292 4.546) 6.253 5.168 ( 0.000 0.723 4.634) 4.690 5.235 ( 0.000 -4.949 7.582) 9.054 5.307 ( 0.000 -3.619 -8.096) 8.868 5.311 ( 0.000 -0.328 -6.385) 6.393 5.418 ( 0.000 -2.657 10.320) 10.656 5.439 ( 0.000 2.038 16.328) 16.454 5.462 ( 0.000 -3.564 1.574) 3.896 5.541 ( 0.000 3.334 5.653) 6.563 5.644 ( 0.000 -4.267 4.950) 6.535 5.702 ( 0.000 -5.148 2.314) 5.645 5.737 ( 0.000 -2.207 -3.880) 4.464 5.820 ( 0.000 -7.504 15.067) 16.832 5.847 ( 0.000 4.992 2.633) 5.644 5.864 ( 0.000 -1.637 4.516) 4.803 5.930 ( 0.000 -3.263 1.427) 3.561 5.954 ( 0.000 -5.202 -1.345) 5.373 6.064 ( 0.000 -2.714 -4.875) 5.579 6.121 ( 0.000 0.752 -5.066) 5.122 6.149 ( 0.000 -2.373 5.787) 6.255 6.166 ( 0.000 1.551 -8.293) 8.437 6.453 ( 0.000 1.486 -0.207) 1.500 6.467 ( 0.000 -2.303 -2.907) 3.709 6.515 ( 0.000 -3.622 -1.290) 3.845 6.570 ( 0.000 -2.507 0.075) 2.508 6.595 ( 0.000 -0.971 2.366) 2.557 6.743 ( 0.000 10.168 -3.836) 10.868 6.817 ( 0.000 -8.972 8.522) 12.375 6.888 ( 0.000 3.074 1.716) 3.521 6.891 ( 0.000 4.334 -3.069) 5.311 7.002 ( 0.000 11.472 7.429) 13.667 7.008 ( 0.000 1.958 19.171) 19.271 7.181 ( 0.000 -9.304 7.733) 12.098 7.380 ( 0.000 -0.515 2.295) 2.352 7.405 ( 0.000 -4.609 -1.181) 4.758 7.409 ( 0.000 7.129 4.341) 8.347 7.558 ( 0.000 0.340 8.167) 8.174 7.698 ( 0.000 0.651 -0.578) 0.871 7.819 ( 0.000 -1.538 2.028) 2.545 7.852 ( 0.000 2.739 -3.347) 4.325 7.902 ( 0.000 13.065 -0.140) 13.066 8.103 ( 0.000 -8.861 -16.512) 18.740 8.210 ( 0.000 -3.526 -8.801) 9.481 8.425 ( 0.000 4.177 -2.256) 4.747 8.676 ( 0.000 -5.110 -3.449) 6.165 8.751 ( 0.000 -1.399 -0.998) 1.718 8.875 ( 0.000 -6.686 -2.857) 7.271 9.102 ( 0.000 0.234 -3.258) 3.267 9.123 ( 0.000 -1.877 0.244) 1.893 9.258 ( 0.000 2.944 2.867) 4.109 9.449 ( 0.000 -3.689 -5.501) 6.624 9.600 ( 0.000 6.374 2.411) 6.814 9.738 ( 0.000 8.055 4.419) 9.187 9.813 ( 0.000 7.507 6.945) 10.227 9.883 ( 0.000 -4.835 -14.803) 15.573 10.035 ( 0.000 6.573 -6.706) 9.390 10.149 ( 0.000 -2.651 -2.485) 3.634 10.199 ( 0.000 0.290 0.659) 0.720 10.296 ( 0.000 -2.516 -2.831) 3.787 10.349 ( 0.000 3.802 -1.823) 4.217 10.439 ( 0.000 4.118 -2.859) 5.013 10.757 ( 0.000 1.132 -7.326) 7.413 10.768 ( 0.000 7.551 -10.502) 12.934 10.966 ( 0.000 -1.652 -4.882) 5.154 10.975 ( 0.000 0.164 -11.453) 11.454 11.113 ( 0.000 -7.167 -0.865) 7.219 11.221 ( 0.000 3.400 2.704) 4.344 11.370 ( 0.000 -19.148 -8.652) 21.012 11.604 ( 0.000 -9.389 -6.582) 11.466 12.089 ( 0.000 3.104 1.606) 3.495 12.318 ( 0.000 -6.705 -2.444) 7.136 12.628 ( 0.000 -8.181 3.879) 9.054 12.688 ( 0.000 -13.615 3.083) 13.959 13.605 ( 0.000 24.753 -0.984) 24.773 13.618 ( 0.000 15.202 -1.946) 15.327 13.762 ( 0.000 7.295 2.019) 7.569 13.887 ( 0.000 12.699 -2.101) 12.872 13.902 ( 0.000 -0.007 -3.349) 3.349 14.194 ( 0.000 1.095 -4.605) 4.733 14.365 ( 0.000 -9.432 7.401) 11.989 14.553 ( 0.000 -8.604 1.852) 8.801 14.778 ( 0.000 12.325 3.703) 12.869 14.890 ( 0.000 0.021 0.046) 0.050 15.257 ( 0.000 1.651 1.027) 1.945 15.324 ( 0.000 -2.125 2.079) 2.973 15.455 ( 0.000 -6.712 2.993) 7.349 15.511 ( 0.000 -17.110 3.926) 17.555 15.575 ( 0.000 8.747 4.077) 9.651 15.848 ( 0.000 -7.431 -2.628) 7.881 16.522 ( 0.000 11.923 2.966) 12.286 16.662 ( 0.000 6.838 0.226) 6.842 16.893 ( 0.000 -5.018 4.397) 6.671 16.917 ( 0.000 -4.162 3.986) 5.763 19.546 ( 0.000 2.746 2.870) 3.972 19.668 ( 0.000 1.893 1.820) 2.626 19.747 ( 0.000 -4.900 0.063) 4.900 19.814 ( 0.000 -4.906 -4.314) 6.533 25.478 ( 0.000 1.100 -0.526) 1.219 25.513 ( 0.000 -0.426 2.635) 2.670 25.727 ( 0.000 0.669 -8.929) 8.954 25.731 ( 0.000 0.474 -3.934) 3.963 27.341 ( 0.000 1.688 1.026) 1.976 27.357 ( 0.000 1.581 0.188) 1.592 27.381 ( 0.000 -0.448 5.984) 6.001 27.439 ( 0.000 -3.462 -1.359) 3.719 27.475 ( 0.000 -3.114 5.802) 6.585 27.500 ( 0.000 -1.835 -0.972) 2.076 27.616 ( 0.000 1.300 0.847) 1.552 27.644 ( 0.000 0.171 0.458) 0.489 27.819 ( 0.000 3.497 0.792) 3.585 27.852 ( 0.000 1.586 3.525) 3.865 27.938 ( 0.000 2.191 2.567) 3.375 27.996 ( 0.000 -2.236 1.748) 2.838 28.081 ( 0.000 3.687 0.482) 3.718 28.217 ( 0.000 -1.826 -5.259) 5.567 28.308 ( 0.000 -4.640 -3.361) 5.730 28.329 ( 0.000 -4.203 -1.810) 4.576 28.522 ( 0.000 3.619 -3.727) 5.195 28.548 ( 0.000 2.905 -1.072) 3.096 28.630 ( 0.000 2.248 -3.540) 4.193 28.751 ( 0.000 -2.399 -3.694) 4.404 30.754 ( 0.000 8.966 10.174) 13.561 30.954 ( 0.000 5.909 1.903) 6.208 31.224 ( 0.000 -10.460 4.303) 11.310 31.237 ( 0.000 -5.685 0.848) 5.748 ======================= Grid point 81 (32/45) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.987 ( -3.165 2.221 11.065) 11.721 2.043 ( 2.128 0.515 6.891) 7.230 2.173 ( 9.228 9.816 14.287) 19.637 2.252 ( 5.042 0.557 6.328) 8.110 2.529 ( 3.894 -0.064 11.647) 12.281 2.776 ( 7.033 -3.152 -1.510) 7.854 2.923 ( -4.834 1.378 -9.589) 10.827 2.942 ( -7.435 2.586 -6.221) 10.033 2.954 ( -5.074 2.877 -3.382) 6.743 3.142 ( -9.681 1.129 -5.802) 11.343 3.200 ( 5.292 -4.635 7.795) 10.500 3.267 ( -2.918 -4.462 -8.191) 9.773 3.400 ( 4.543 3.653 8.290) 10.135 3.478 ( 3.041 3.978 -1.746) 5.303 3.577 ( 3.035 -6.171 3.451) 7.694 3.727 ( 5.149 -1.122 0.802) 5.331 3.797 ( -3.940 1.326 -5.876) 7.198 3.985 ( 2.089 -0.222 -7.004) 7.312 4.108 ( -4.780 1.003 0.292) 4.893 4.130 ( -5.128 -0.348 1.686) 5.409 4.306 ( -2.660 5.184 0.105) 5.827 4.332 ( 0.217 4.237 1.761) 4.593 4.403 ( 4.986 7.130 3.927) 9.545 4.420 ( -3.158 6.565 8.219) 10.983 4.481 ( 2.335 5.023 0.832) 5.601 4.583 ( 2.901 3.551 5.890) 7.464 4.650 ( -0.352 -2.002 0.100) 2.035 4.739 ( -0.212 1.967 6.574) 6.866 4.778 ( 3.560 -3.797 0.735) 5.257 4.851 ( -3.899 -3.681 9.069) 10.535 4.907 ( 4.723 -2.959 4.835) 7.378 5.059 ( -4.496 -2.758 7.368) 9.062 5.087 ( -6.589 0.446 3.195) 7.336 5.136 ( -4.093 2.294 -2.310) 5.230 5.191 ( -5.213 -3.075 3.881) 7.190 5.280 ( -6.100 -5.532 2.443) 8.589 5.370 ( -3.600 -0.194 -4.142) 5.492 5.428 ( -2.394 2.238 10.600) 11.095 5.474 ( 2.220 0.365 1.821) 2.895 5.595 ( 1.993 -3.213 13.131) 13.664 5.652 ( -0.632 -0.789 7.463) 7.531 5.733 ( 0.270 0.246 -2.583) 2.609 5.760 ( -5.363 -7.528 3.748) 9.974 5.818 ( 3.481 -1.405 0.668) 3.813 5.867 ( -0.969 1.087 2.233) 2.666 5.908 ( 4.835 0.090 3.530) 5.987 5.974 ( 3.833 -3.711 -0.674) 5.377 5.987 ( 7.335 -1.954 5.645) 9.459 6.077 ( 6.063 -9.175 5.794) 12.430 6.151 ( 0.987 -1.857 0.975) 2.318 6.229 ( 6.279 -0.710 -1.792) 6.568 6.276 ( 7.545 -3.572 1.004) 8.408 6.334 ( -5.562 1.559 1.448) 5.955 6.441 ( -2.426 0.026 0.870) 2.578 6.543 ( 1.198 0.451 4.543) 4.720 6.591 ( 3.622 1.943 0.260) 4.119 6.638 ( 2.049 -3.003 4.040) 5.435 6.791 ( 3.941 6.817 3.867) 8.773 6.838 ( 2.566 -7.894 3.508) 9.011 6.887 ( 1.415 -5.870 4.501) 7.531 6.963 ( -2.195 1.693 13.978) 14.250 7.029 ( 5.380 7.729 2.397) 9.717 7.125 ( 8.032 6.071 6.339) 11.898 7.185 ( 0.483 -3.300 7.480) 8.190 7.332 ( -5.652 -3.678 8.494) 10.845 7.343 ( -3.818 4.819 6.204) 8.734 7.434 ( 1.695 3.570 5.020) 6.389 7.532 ( -1.376 0.216 8.073) 8.192 7.719 ( -2.368 -0.615 -2.654) 3.609 7.813 ( 5.941 -2.025 -4.973) 8.008 7.906 ( 2.411 5.226 -3.268) 6.618 7.999 ( 5.705 8.572 0.751) 10.324 8.076 ( -2.720 -10.241 -16.509) 19.616 8.287 ( 7.165 -2.543 -7.984) 11.025 8.399 ( -1.735 7.033 -5.353) 9.007 8.588 ( -8.490 0.969 -9.145) 12.516 8.719 ( -0.153 -3.521 -8.737) 9.421 8.799 ( -10.383 3.663 -6.869) 12.977 8.991 ( -5.277 -8.878 1.968) 10.514 9.048 ( -5.408 -3.462 0.774) 6.468 9.236 ( -2.601 3.959 1.591) 4.997 9.427 ( -3.210 1.971 -4.000) 5.494 9.518 ( -4.863 -3.261 -2.010) 6.190 9.704 ( -5.721 -0.002 -5.530) 7.957 9.722 ( -1.483 0.796 -0.417) 1.734 9.941 ( 0.377 7.579 -8.761) 11.590 9.957 ( -0.774 1.637 0.176) 1.820 10.119 ( -1.134 -0.152 -2.611) 2.851 10.308 ( 3.494 1.094 -1.168) 3.843 10.332 ( 0.736 -3.830 -5.233) 6.527 10.430 ( -4.450 -1.347 -2.681) 5.367 10.439 ( 6.905 -2.435 -4.450) 8.568 10.711 ( 1.994 9.156 -3.692) 10.072 10.790 ( -0.883 3.410 -15.598) 15.991 10.887 ( -0.942 6.501 -6.918) 9.540 10.897 ( -3.458 -1.200 -2.376) 4.363 11.088 ( -2.705 8.295 -1.229) 8.811 11.229 ( -4.770 4.840 -3.741) 7.757 11.420 ( 10.124 -14.502 3.022) 17.943 11.722 ( 2.671 -14.388 -4.475) 15.302 12.218 ( 9.239 -3.541 0.600) 9.912 12.351 ( 4.059 -6.994 -1.692) 8.262 12.638 ( 1.163 -10.796 4.237) 11.656 12.730 ( 2.997 -15.050 2.372) 15.528 13.556 ( -4.130 13.775 -2.093) 14.532 13.591 ( -1.871 22.837 -2.444) 23.043 13.762 ( 0.632 9.070 1.816) 9.272 13.864 ( -0.727 5.562 -1.064) 5.709 13.980 ( 5.129 7.245 -0.742) 8.907 14.248 ( 1.666 -3.042 -2.336) 4.182 14.336 ( -0.004 -8.054 3.826) 8.917 14.534 ( -1.830 -9.721 0.658) 9.914 14.734 ( -3.638 13.649 3.196) 14.482 14.871 ( -1.905 3.553 -0.323) 4.045 15.175 ( -5.976 5.044 3.136) 8.426 15.285 ( -3.630 -0.152 0.456) 3.662 15.433 ( -0.638 -3.106 4.991) 5.913 15.518 ( 0.255 -14.786 3.660) 15.234 15.580 ( 0.462 -1.198 2.729) 3.016 15.796 ( -4.262 -10.856 -1.568) 11.768 16.514 ( -0.153 13.567 2.899) 13.875 16.621 ( -2.729 10.622 0.882) 11.003 16.933 ( 3.482 -5.815 4.219) 7.984 16.984 ( 3.813 -5.715 3.190) 7.575 19.550 ( 0.471 2.857 2.819) 4.042 19.646 ( -1.772 2.245 1.871) 3.418 19.759 ( 0.959 -5.235 -0.279) 5.330 19.812 ( -0.186 -5.134 -3.712) 6.338 25.458 ( -0.573 2.401 -0.741) 2.578 25.557 ( 2.827 -1.641 1.852) 3.757 25.646 ( -4.899 2.250 -6.816) 8.690 25.739 ( -1.187 -1.414 -3.861) 4.279 27.312 ( -1.422 1.331 2.684) 3.317 27.382 ( 2.727 1.128 0.822) 3.064 27.415 ( 1.612 -0.638 3.891) 4.260 27.444 ( 0.264 -3.357 2.887) 4.436 27.479 ( 1.289 -1.577 -0.091) 2.039 27.530 ( 0.592 -1.662 1.422) 2.266 27.630 ( 0.391 1.519 1.125) 1.930 27.644 ( 0.068 1.702 0.669) 1.830 27.828 ( 0.436 0.743 2.446) 2.593 27.871 ( 1.816 0.586 0.923) 2.120 27.969 ( 0.958 1.230 1.146) 1.935 27.977 ( 0.795 -0.116 0.421) 0.907 28.076 ( -0.221 3.984 0.206) 3.995 28.257 ( 1.575 -1.171 -5.935) 6.251 28.281 ( 1.005 -4.679 -1.256) 4.948 28.394 ( 3.279 -3.027 -3.057) 5.409 28.505 ( 0.120 3.436 -2.621) 4.324 28.597 ( 0.767 1.543 -3.346) 3.764 28.640 ( 2.972 2.251 -1.366) 3.970 28.778 ( 2.047 -3.168 -3.429) 5.098 30.719 ( -2.589 9.071 9.659) 13.501 30.894 ( -5.206 6.554 2.420) 8.713 31.168 ( -3.665 -8.815 4.278) 10.461 31.214 ( -2.726 -7.275 1.055) 7.840 ======================= Grid point 82 (33/45) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.156 ( 18.009 0.619 -1.195) 18.059 2.235 ( 15.569 -2.363 -2.665) 15.971 2.426 ( 10.971 5.283 4.968) 13.151 2.450 ( 11.933 0.803 -5.107) 13.005 2.591 ( -4.545 1.260 1.893) 5.082 2.614 ( -14.662 -1.785 -2.476) 14.976 2.683 ( -17.298 0.349 -10.496) 20.236 2.737 ( -10.813 -1.273 -11.344) 15.723 2.894 ( -1.694 7.225 2.776) 7.923 2.987 ( -2.421 1.208 1.124) 2.929 3.190 ( -0.950 -3.134 -8.710) 9.305 3.267 ( -6.370 2.361 -3.797) 7.783 3.387 ( 7.551 4.702 3.615) 9.601 3.551 ( -4.733 0.100 -4.617) 6.612 3.709 ( 3.947 -1.474 -0.864) 4.301 3.722 ( 3.355 -4.220 -2.296) 5.860 3.784 ( -0.149 6.902 -0.655) 6.935 3.884 ( -7.706 2.370 1.697) 8.239 4.098 ( 2.062 -2.873 2.390) 4.268 4.141 ( 3.138 -1.634 -0.845) 3.637 4.232 ( -1.995 5.592 -0.652) 5.973 4.303 ( 1.306 1.022 2.395) 2.913 4.366 ( -3.305 1.987 -3.284) 5.065 4.429 ( -6.190 1.085 -1.557) 6.474 4.596 ( 6.400 6.417 1.554) 9.195 4.645 ( 6.529 1.704 4.466) 8.092 4.711 ( 4.358 -1.151 8.496) 9.617 4.729 ( -0.021 0.357 4.205) 4.220 4.806 ( -1.033 -0.314 2.192) 2.443 4.856 ( -8.830 -1.017 4.675) 10.042 4.921 ( -2.860 -0.086 3.908) 4.844 4.965 ( 5.097 1.528 6.850) 8.673 5.011 ( -0.460 -5.171 -4.147) 6.644 5.078 ( 3.152 0.357 2.988) 4.358 5.172 ( 0.493 3.221 5.562) 6.446 5.186 ( -4.006 -2.028 3.422) 5.645 5.291 ( -3.656 -8.020 -4.540) 9.915 5.324 ( -5.654 5.995 10.529) 13.370 5.513 ( 3.252 -2.582 9.490) 10.358 5.597 ( -3.631 -8.325 9.049) 12.821 5.634 ( 0.633 6.275 3.151) 7.051 5.680 ( -3.261 2.870 3.554) 5.613 5.740 ( 6.251 -0.620 6.078) 8.741 5.841 ( -0.159 -4.077 7.548) 8.581 5.929 ( 1.196 -5.970 2.506) 6.584 5.951 ( -0.504 0.508 -1.107) 1.318 6.033 ( 1.345 3.149 10.793) 11.323 6.106 ( -0.949 -6.002 7.022) 9.286 6.146 ( 5.039 -6.426 0.640) 8.191 6.229 ( -0.589 1.236 4.756) 4.949 6.280 ( -0.841 -4.665 0.326) 4.751 6.334 ( -2.216 1.003 4.000) 4.682 6.401 ( 14.630 1.238 8.083) 16.760 6.539 ( 8.826 -3.032 10.027) 13.698 6.590 ( -0.453 0.287 8.676) 8.693 6.650 ( 1.181 -0.774 7.123) 7.262 6.711 ( 6.888 0.087 8.152) 10.673 6.845 ( -6.983 -3.217 3.725) 8.544 6.850 ( -0.787 -10.095 6.120) 11.831 6.883 ( -2.047 -4.606 4.706) 6.896 6.924 ( 5.007 1.249 4.738) 7.006 7.071 ( -8.343 0.747 7.371) 11.158 7.106 ( 1.211 2.373 8.751) 9.147 7.169 ( -4.596 -4.316 12.373) 13.886 7.301 ( 4.292 2.586 10.260) 11.418 7.370 ( 0.416 4.426 10.653) 11.544 7.469 ( 5.901 5.381 12.152) 14.541 7.556 ( 0.864 -3.833 8.587) 9.443 7.702 ( 2.478 2.859 -4.138) 5.607 7.802 ( -5.532 3.187 -1.808) 6.636 7.936 ( -0.609 -1.432 -5.468) 5.685 7.990 ( -5.085 -1.177 -5.815) 7.814 8.141 ( 8.421 10.449 -8.980) 16.147 8.366 ( -4.986 9.980 -18.769) 21.834 8.409 ( -2.103 3.621 -14.402) 14.998 8.506 ( 7.925 -1.191 -9.069) 12.103 8.516 ( -8.287 7.811 -7.404) 13.583 8.705 ( -6.239 -4.108 -14.044) 15.907 8.907 ( 1.904 -10.418 -2.786) 10.951 8.984 ( -2.268 -11.560 -3.172) 12.200 9.212 ( 1.517 5.034 -0.837) 5.324 9.312 ( -6.563 5.460 -2.507) 8.898 9.476 ( 1.426 -9.510 -9.275) 13.361 9.561 ( -5.751 -8.153 -8.870) 13.349 9.756 ( 2.972 4.098 -3.989) 6.445 9.851 ( -5.403 5.308 -6.906) 10.250 10.021 ( 4.138 -3.083 0.715) 5.210 10.101 ( -1.901 -2.165 -1.504) 3.250 10.257 ( -3.030 -0.412 -4.134) 5.143 10.264 ( -3.745 2.915 -9.134) 10.294 10.473 ( 5.504 -3.598 -9.080) 11.211 10.544 ( 0.489 -5.557 -8.136) 9.865 10.757 ( 1.435 11.798 -4.699) 12.780 10.801 ( -0.536 10.964 -3.544) 11.535 10.858 ( 2.136 6.619 -1.877) 7.204 10.912 ( -0.229 6.973 -3.557) 7.831 11.067 ( 1.454 10.244 0.697) 10.370 11.128 ( -4.007 7.348 -1.942) 8.592 11.597 ( 5.976 -14.455 1.063) 15.678 11.698 ( -3.604 -13.404 -1.602) 13.972 12.386 ( 6.340 -6.179 3.368) 9.472 12.442 ( 1.731 -6.541 1.963) 7.046 12.682 ( 3.185 -15.874 5.063) 16.963 12.755 ( -1.875 -18.223 3.391) 18.630 13.499 ( -0.247 14.058 -3.486) 14.486 13.537 ( -2.879 18.572 -4.325) 19.285 13.801 ( 2.657 10.618 1.618) 11.065 13.847 ( -1.260 9.328 1.179) 9.486 14.085 ( 4.334 2.088 2.282) 5.324 14.179 ( -4.723 -5.532 3.756) 8.186 14.422 ( 3.945 -11.296 -4.358) 12.734 14.482 ( -2.655 -12.154 -2.112) 12.619 14.684 ( 1.466 16.203 4.523) 16.886 14.791 ( -5.943 10.921 0.690) 12.452 15.111 ( 1.446 8.840 1.439) 9.073 15.193 ( -4.733 5.061 -0.706) 6.965 15.444 ( 1.639 -3.408 3.907) 5.438 15.493 ( -2.390 -5.300 2.882) 6.489 15.615 ( 2.886 -15.625 2.593) 16.100 15.696 ( -4.548 -16.259 0.664) 16.896 16.528 ( 1.415 15.669 2.371) 15.910 16.568 ( -2.189 14.990 1.568) 15.230 17.005 ( 2.678 -6.984 3.949) 8.458 17.032 ( 0.433 -6.921 3.407) 7.726 19.569 ( 1.293 3.004 2.569) 4.159 19.604 ( -1.966 2.820 2.167) 4.063 19.783 ( 1.137 -5.667 -1.248) 5.913 19.803 ( -0.715 -5.569 -2.504) 6.148 25.470 ( 1.849 3.509 -2.442) 4.657 25.537 ( -4.238 3.499 -4.383) 7.030 25.627 ( 3.092 -2.913 0.201) 4.252 25.693 ( -2.824 -2.799 -1.409) 4.218 27.319 ( 2.060 1.543 3.736) 4.537 27.386 ( -3.434 0.924 5.368) 6.439 27.432 ( 1.735 -2.704 2.132) 3.856 27.468 ( -0.200 -2.460 3.149) 4.001 27.521 ( 2.933 -0.103 -0.596) 2.995 27.553 ( 2.330 0.747 -0.672) 2.538 27.607 ( -1.631 1.315 -0.149) 2.100 27.633 ( -1.954 0.846 0.339) 2.157 27.865 ( 2.740 0.239 1.294) 3.039 27.906 ( 1.060 0.629 2.181) 2.505 27.933 ( -1.028 -0.905 0.382) 1.422 27.985 ( -2.936 -0.304 3.063) 4.254 28.141 ( 5.861 3.910 -3.513) 7.873 28.239 ( -2.585 1.594 -5.978) 6.706 28.360 ( 4.408 -5.382 -2.038) 7.249 28.428 ( -0.941 -3.981 -3.847) 5.616 28.524 ( 1.883 5.422 -1.577) 5.953 28.574 ( -2.066 5.456 -2.680) 6.420 28.744 ( 4.996 -3.026 -1.126) 5.948 28.806 ( -0.336 -4.265 -2.515) 4.963 30.688 ( 0.734 9.055 7.539) 11.806 30.764 ( -5.858 8.024 4.391) 10.862 31.113 ( -0.753 -8.370 3.446) 9.083 31.143 ( -3.116 -7.814 1.655) 8.574 ======================= Grid point 85 (34/45) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 -1.945 8.901) 9.111 2.080 ( 0.000 1.945 8.901) 9.111 2.260 ( 0.000 -0.863 8.443) 8.487 2.260 ( 0.000 0.863 8.443) 8.487 2.572 ( 0.000 -5.494 10.490) 11.841 2.572 ( 0.000 5.494 10.490) 11.841 2.930 ( 0.000 -1.017 7.917) 7.982 2.930 ( 0.000 1.017 7.917) 7.982 3.093 ( 0.000 -2.163 1.653) 2.722 3.093 ( 0.000 2.163 1.653) 2.722 3.247 ( 0.000 -2.830 -2.865) 4.027 3.247 ( 0.000 2.830 -2.865) 4.027 3.324 ( 0.000 -12.303 -3.658) 12.835 3.324 ( 0.000 12.303 -3.658) 12.835 3.602 ( 0.000 -2.328 2.509) 3.423 3.602 ( 0.000 2.328 2.509) 3.423 3.957 ( 0.000 -3.510 -3.269) 4.797 3.957 ( 0.000 3.510 -3.269) 4.797 4.195 ( 0.000 -5.312 2.614) 5.920 4.195 ( 0.000 5.312 2.614) 5.920 4.380 ( 0.000 -1.168 -3.307) 3.507 4.380 ( 0.000 1.168 -3.307) 3.507 4.480 ( 0.000 -2.947 -3.454) 4.540 4.480 ( 0.000 2.947 -3.454) 4.540 4.564 ( 0.000 -2.117 6.566) 6.899 4.564 ( 0.000 2.117 6.566) 6.899 4.689 ( 0.000 -4.883 4.049) 6.344 4.689 ( 0.000 4.883 4.049) 6.344 4.793 ( 0.000 -0.504 8.149) 8.165 4.793 ( 0.000 0.504 8.149) 8.165 4.960 ( 0.000 -12.861 10.747) 16.760 4.960 ( 0.000 12.861 10.747) 16.760 5.174 ( 0.000 -2.153 7.400) 7.707 5.174 ( 0.000 2.153 7.400) 7.707 5.244 ( 0.000 -0.705 -3.216) 3.293 5.244 ( 0.000 0.705 -3.216) 3.293 5.449 ( 0.000 -0.772 0.763) 1.085 5.449 ( 0.000 0.772 0.763) 1.085 5.501 ( 0.000 -4.075 10.731) 11.478 5.501 ( 0.000 4.075 10.731) 11.478 5.616 ( 0.000 -0.657 5.582) 5.620 5.616 ( 0.000 0.657 5.582) 5.620 5.681 ( 0.000 -0.033 6.227) 6.227 5.681 ( 0.000 0.033 6.227) 6.227 5.883 ( 0.000 -0.818 -1.456) 1.670 5.883 ( 0.000 0.818 -1.456) 1.670 5.931 ( 0.000 -0.039 1.851) 1.852 5.931 ( 0.000 0.039 1.851) 1.852 6.110 ( 0.000 -3.239 -5.054) 6.003 6.110 ( 0.000 3.239 -5.054) 6.003 6.182 ( 0.000 -4.705 0.215) 4.710 6.182 ( 0.000 4.705 0.215) 4.710 6.400 ( 0.000 -2.654 -3.447) 4.351 6.400 ( 0.000 2.654 -3.447) 4.351 6.507 ( 0.000 -2.347 -0.438) 2.388 6.507 ( 0.000 2.347 -0.438) 2.388 6.656 ( 0.000 -6.320 6.809) 9.290 6.656 ( 0.000 6.320 6.809) 9.290 6.880 ( 0.000 -4.898 -5.945) 7.703 6.880 ( 0.000 4.898 -5.945) 7.703 6.996 ( 0.000 -4.060 11.209) 11.922 6.996 ( 0.000 4.060 11.209) 11.922 7.164 ( 0.000 -8.729 -1.277) 8.822 7.164 ( 0.000 8.729 -1.277) 8.822 7.300 ( 0.000 -3.803 8.555) 9.362 7.300 ( 0.000 3.803 8.555) 9.362 7.534 ( 0.000 -3.951 4.275) 5.822 7.534 ( 0.000 3.951 4.275) 5.822 7.743 ( 0.000 -4.674 -0.582) 4.710 7.743 ( 0.000 4.674 -0.582) 4.710 7.925 ( 0.000 -5.923 -9.093) 10.852 7.925 ( 0.000 5.923 -9.093) 10.852 8.138 ( 0.000 -8.236 -3.941) 9.130 8.138 ( 0.000 8.236 -3.941) 9.130 8.552 ( 0.000 -7.443 -2.736) 7.930 8.552 ( 0.000 7.443 -2.736) 7.930 8.750 ( 0.000 -3.237 0.677) 3.307 8.750 ( 0.000 3.237 0.677) 3.307 9.107 ( 0.000 -0.001 -2.052) 2.052 9.107 ( 0.000 0.001 -2.052) 2.052 9.342 ( 0.000 -5.818 -2.308) 6.259 9.342 ( 0.000 5.818 -2.308) 6.259 9.760 ( 0.000 -8.351 -3.308) 8.982 9.760 ( 0.000 8.351 -3.308) 8.982 9.869 ( 0.000 -3.185 3.984) 5.100 9.869 ( 0.000 3.185 3.984) 5.100 10.122 ( 0.000 -2.066 -3.743) 4.275 10.122 ( 0.000 2.066 -3.743) 4.275 10.223 ( 0.000 -2.817 -1.632) 3.255 10.223 ( 0.000 2.817 -1.632) 3.255 10.468 ( 0.000 -4.076 -0.935) 4.182 10.468 ( 0.000 4.076 -0.935) 4.182 10.810 ( 0.000 -0.576 -9.287) 9.305 10.810 ( 0.000 0.576 -9.287) 9.305 10.987 ( 0.000 -5.413 -14.826) 15.784 10.987 ( 0.000 5.413 -14.826) 15.784 11.019 ( 0.000 -2.439 2.676) 3.621 11.019 ( 0.000 2.439 2.676) 3.621 11.394 ( 0.000 -11.351 -3.572) 11.900 11.394 ( 0.000 11.351 -3.572) 11.900 12.202 ( 0.000 -7.090 -0.418) 7.102 12.202 ( 0.000 7.090 -0.418) 7.102 12.527 ( 0.000 -0.428 4.524) 4.544 12.527 ( 0.000 0.428 4.524) 4.544 13.847 ( 0.000 -0.200 -1.622) 1.634 13.847 ( 0.000 0.200 -1.622) 1.634 13.934 ( 0.000 -6.051 -1.548) 6.246 13.934 ( 0.000 6.051 -1.548) 6.246 14.089 ( 0.000 -13.970 -3.157) 14.322 14.089 ( 0.000 13.970 -3.157) 14.322 14.275 ( 0.000 -10.403 1.193) 10.471 14.275 ( 0.000 10.403 1.193) 10.471 15.085 ( 0.000 -6.601 4.800) 8.162 15.085 ( 0.000 6.601 4.800) 8.162 15.182 ( 0.000 -9.484 1.821) 9.657 15.182 ( 0.000 9.484 1.821) 9.657 15.300 ( 0.000 -2.633 1.223) 2.903 15.300 ( 0.000 2.633 1.223) 2.903 15.731 ( 0.000 -6.331 -0.120) 6.332 15.731 ( 0.000 6.331 -0.120) 6.332 16.733 ( 0.000 -8.004 3.516) 8.742 16.733 ( 0.000 8.004 3.516) 8.742 16.815 ( 0.000 -4.954 3.258) 5.929 16.815 ( 0.000 4.954 3.258) 5.929 19.631 ( 0.000 -6.046 1.730) 6.288 19.631 ( 0.000 6.046 1.730) 6.288 19.725 ( 0.000 -3.988 -1.180) 4.159 19.725 ( 0.000 3.988 -1.180) 4.159 25.500 ( 0.000 -0.992 0.967) 1.385 25.500 ( 0.000 0.992 0.967) 1.385 25.736 ( 0.000 -0.138 -6.733) 6.735 25.736 ( 0.000 0.138 -6.733) 6.735 27.375 ( 0.000 -1.480 1.459) 2.078 27.375 ( 0.000 1.480 1.459) 2.078 27.385 ( 0.000 -1.028 -0.108) 1.033 27.385 ( 0.000 1.028 -0.108) 1.033 27.455 ( 0.000 -1.771 3.811) 4.203 27.455 ( 0.000 1.771 3.811) 4.203 27.638 ( 0.000 -0.808 1.134) 1.392 27.638 ( 0.000 0.808 1.134) 1.392 27.874 ( 0.000 -0.745 2.767) 2.866 27.874 ( 0.000 0.745 2.767) 2.866 27.958 ( 0.000 -0.958 0.773) 1.231 27.958 ( 0.000 0.958 0.773) 1.231 28.164 ( 0.000 -4.383 0.071) 4.384 28.164 ( 0.000 4.383 0.071) 4.384 28.265 ( 0.000 -1.528 -4.857) 5.091 28.265 ( 0.000 1.528 -4.857) 5.091 28.570 ( 0.000 -0.940 -3.057) 3.198 28.570 ( 0.000 0.940 -3.057) 3.198 28.690 ( 0.000 -3.715 -2.950) 4.744 28.690 ( 0.000 3.715 -2.950) 4.744 30.978 ( 0.000 -13.349 8.417) 15.781 30.978 ( 0.000 13.349 8.417) 15.781 31.099 ( 0.000 -7.972 1.046) 8.040 31.099 ( 0.000 7.972 1.046) 8.040 ======================= Grid point 87 (35/45) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.029 ( -1.924 -1.754 8.757) 9.136 2.029 ( -1.924 1.754 8.757) 9.136 2.266 ( 6.206 -1.588 3.860) 7.479 2.266 ( 6.206 1.588 3.860) 7.479 2.646 ( 4.091 -10.118 7.753) 13.387 2.646 ( 4.091 10.118 7.753) 13.387 2.943 ( -6.070 -1.117 -12.201) 13.673 2.943 ( -6.070 1.117 -12.201) 13.673 3.064 ( -2.766 -6.669 3.976) 8.242 3.064 ( -2.766 6.669 3.976) 8.242 3.205 ( -2.396 -3.390 -1.673) 4.475 3.205 ( -2.396 3.390 -1.673) 4.475 3.439 ( 10.508 -5.575 2.434) 12.141 3.439 ( 10.508 5.575 2.434) 12.141 3.632 ( 0.941 -7.302 -0.427) 7.375 3.632 ( 0.941 7.302 -0.427) 7.375 3.913 ( -2.070 -6.786 -3.048) 7.721 3.913 ( -2.070 6.786 -3.048) 7.721 4.136 ( -4.854 -0.326 0.053) 4.866 4.136 ( -4.854 0.326 0.053) 4.866 4.364 ( -1.876 -0.921 0.406) 2.129 4.364 ( -1.876 0.921 0.406) 2.129 4.538 ( 0.968 -2.014 2.921) 3.677 4.538 ( 0.968 2.014 2.921) 3.677 4.576 ( 2.157 -0.604 2.270) 3.189 4.576 ( 2.157 0.604 2.270) 3.189 4.620 ( -0.149 -5.517 5.788) 7.997 4.620 ( -0.149 5.517 5.788) 7.997 4.805 ( 0.249 -2.116 5.890) 6.263 4.805 ( 0.249 2.116 5.890) 6.263 4.984 ( -0.161 -5.396 10.841) 12.111 4.984 ( -0.161 5.396 10.841) 12.111 5.108 ( -7.324 -2.057 -2.162) 7.909 5.108 ( -7.324 2.057 -2.162) 7.909 5.178 ( -0.396 -4.649 5.209) 6.993 5.178 ( -0.396 4.649 5.209) 6.993 5.383 ( -3.514 -4.379 -1.138) 5.729 5.383 ( -3.514 4.379 -1.138) 5.729 5.511 ( -0.458 -6.059 12.813) 14.180 5.511 ( -0.458 6.059 12.813) 14.180 5.670 ( 2.911 -5.815 2.281) 6.891 5.670 ( 2.911 5.815 2.281) 6.891 5.754 ( 0.229 -6.057 4.279) 7.420 5.754 ( 0.229 6.057 4.279) 7.420 5.881 ( -0.292 -2.437 -1.255) 2.756 5.881 ( -0.292 2.437 -1.255) 2.756 5.960 ( 7.953 -4.604 5.998) 10.974 5.960 ( 7.953 4.604 5.998) 10.974 6.077 ( -0.455 -4.688 -0.012) 4.710 6.077 ( -0.455 4.688 -0.012) 4.710 6.241 ( 3.218 -0.780 2.467) 4.129 6.241 ( 3.218 0.780 2.467) 4.129 6.397 ( 1.080 -4.388 -0.670) 4.568 6.397 ( 1.080 4.388 -0.670) 4.568 6.564 ( 2.610 -0.679 0.552) 2.753 6.564 ( 2.610 0.679 0.552) 2.753 6.663 ( 1.484 -6.929 6.331) 9.502 6.663 ( 1.484 6.929 6.331) 9.502 6.878 ( -0.696 -3.462 2.154) 4.136 6.878 ( -0.696 3.462 2.154) 4.136 7.008 ( 1.029 -6.446 9.637) 11.640 7.008 ( 1.029 6.446 9.637) 11.640 7.201 ( 1.168 -5.069 4.558) 6.916 7.201 ( 1.168 5.069 4.558) 6.916 7.363 ( 4.602 -6.668 6.553) 10.421 7.363 ( 4.602 6.668 6.553) 10.421 7.481 ( -3.806 -4.899 5.948) 8.594 7.481 ( -3.806 4.899 5.948) 8.594 7.734 ( -1.169 -3.555 -6.756) 7.723 7.734 ( -1.169 3.555 -6.756) 7.723 7.957 ( 3.539 -2.049 -4.979) 6.443 7.957 ( 3.539 2.049 -4.979) 6.443 8.205 ( 5.476 -7.806 -5.018) 10.775 8.205 ( 5.476 7.806 -5.018) 10.775 8.553 ( -0.527 -6.292 -7.560) 9.850 8.553 ( -0.527 6.292 -7.560) 9.850 8.708 ( -2.681 -5.194 -3.575) 6.852 8.708 ( -2.681 5.194 -3.575) 6.852 8.984 ( -10.327 -3.671 -2.285) 11.195 8.984 ( -10.327 3.671 -2.285) 11.195 9.327 ( -1.333 -6.201 -3.417) 7.204 9.327 ( -1.333 6.201 -3.417) 7.204 9.593 ( -10.330 -6.140 -2.351) 12.245 9.593 ( -10.330 6.140 -2.351) 12.245 9.878 ( -0.395 -8.924 0.161) 8.934 9.878 ( -0.395 8.924 0.161) 8.934 10.101 ( -3.745 -5.246 -3.318) 7.250 10.101 ( -3.745 5.246 -3.318) 7.250 10.295 ( 4.200 -2.409 -1.815) 5.171 10.295 ( 4.200 2.409 -1.815) 5.171 10.389 ( -2.543 -2.313 -6.737) 7.563 10.389 ( -2.543 2.313 -6.737) 7.563 10.871 ( 5.077 -2.020 -6.064) 8.163 10.871 ( 5.077 2.020 -6.064) 8.163 10.922 ( 0.292 -4.762 -5.797) 7.507 10.922 ( 0.292 4.762 -5.797) 7.507 11.207 ( 5.810 -2.562 -0.414) 6.363 11.207 ( 5.810 2.562 -0.414) 6.363 11.390 ( 0.627 -17.117 -4.868) 17.807 11.390 ( 0.627 17.117 -4.868) 17.807 12.246 ( 4.340 -5.046 0.893) 6.715 12.246 ( 4.340 5.046 0.893) 6.715 12.530 ( -0.026 -2.921 4.332) 5.225 12.530 ( -0.026 2.921 4.332) 5.225 13.795 ( -3.147 -7.899 -1.349) 8.610 13.795 ( -3.147 7.899 -1.349) 8.610 13.929 ( -1.447 -7.306 -1.974) 7.705 13.929 ( -1.447 7.306 -1.974) 7.705 14.111 ( 1.967 -13.474 -2.329) 13.814 14.111 ( 1.967 13.474 -2.329) 13.814 14.277 ( -0.139 -8.709 0.633) 8.733 14.277 ( -0.139 8.709 0.633) 8.733 15.072 ( -1.182 -10.975 4.756) 12.020 15.072 ( -1.182 10.975 4.756) 12.020 15.164 ( -2.255 -8.849 0.713) 9.159 15.164 ( -2.255 8.849 0.713) 9.159 15.295 ( 1.012 -5.288 2.480) 5.928 15.295 ( 1.012 5.288 2.480) 5.928 15.657 ( -6.062 -5.041 0.520) 7.901 15.657 ( -6.062 5.041 0.520) 7.901 16.755 ( 1.959 -9.161 3.539) 10.014 16.755 ( 1.959 9.161 3.539) 10.014 16.837 ( 1.362 -7.725 2.704) 8.297 16.837 ( 1.362 7.725 2.704) 8.297 19.638 ( 0.639 -6.121 1.580) 6.354 19.638 ( 0.639 6.121 1.580) 6.354 19.714 ( -0.953 -4.567 -0.821) 4.737 19.714 ( -0.953 4.567 -0.821) 4.737 25.512 ( 1.188 -2.885 0.362) 3.141 25.512 ( 1.188 2.885 0.362) 3.141 25.698 ( -3.207 -2.734 -5.582) 6.994 25.698 ( -3.207 2.734 -5.582) 6.994 27.354 ( -0.983 -2.976 1.883) 3.657 27.354 ( -0.983 2.976 1.883) 3.657 27.413 ( 2.777 -0.855 2.045) 3.553 27.413 ( 2.777 0.855 2.045) 3.553 27.487 ( 1.237 -2.219 2.209) 3.367 27.487 ( 1.237 2.219 2.209) 3.367 27.653 ( 0.711 -0.719 0.949) 1.386 27.653 ( 0.711 0.719 0.949) 1.386 27.861 ( -0.446 -2.071 1.784) 2.770 27.861 ( -0.446 2.071 1.784) 2.770 27.976 ( 0.766 -1.493 0.214) 1.691 27.976 ( 0.766 1.493 0.214) 1.691 28.171 ( 1.403 -5.701 -0.387) 5.884 28.171 ( 1.403 5.701 -0.387) 5.884 28.303 ( 2.496 -4.711 -4.838) 7.199 28.303 ( 2.496 4.711 -4.838) 7.199 28.585 ( 1.626 -3.069 -2.508) 4.284 28.585 ( 1.626 3.069 -2.508) 4.284 28.702 ( 0.815 -4.108 -2.753) 5.012 28.702 ( 0.815 4.108 -2.753) 5.012 30.941 ( -2.735 -12.989 7.925) 15.459 30.941 ( -2.735 12.989 7.925) 15.459 31.053 ( -3.963 -8.956 1.449) 9.900 31.053 ( -3.963 8.956 1.449) 9.900 ======================= Grid point 89 (36/45) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.185 ( 16.335 -2.394 -1.821) 16.609 2.185 ( 16.335 2.394 -1.821) 16.609 2.468 ( 10.126 -2.010 -5.058) 11.497 2.468 ( 10.126 2.010 -5.058) 11.497 2.599 ( -14.122 -1.138 -2.883) 14.458 2.599 ( -14.122 1.138 -2.883) 14.458 2.708 ( -10.382 -1.781 -8.407) 13.477 2.708 ( -10.382 1.781 -8.407) 13.477 3.027 ( 3.827 -3.977 1.040) 5.617 3.027 ( 3.827 3.977 1.040) 5.617 3.155 ( -4.641 -6.085 -1.853) 7.874 3.155 ( -4.641 6.085 -1.853) 7.874 3.587 ( 1.901 -8.582 0.394) 8.799 3.587 ( 1.901 8.582 0.394) 8.799 3.620 ( -0.925 -4.262 -6.231) 7.606 3.620 ( -0.925 4.262 -6.231) 7.606 3.942 ( 4.635 -5.228 2.972) 7.593 3.942 ( 4.635 5.228 2.972) 7.593 4.047 ( -3.945 -5.416 4.292) 7.957 4.047 ( -3.945 5.416 4.292) 7.957 4.316 ( -0.067 -1.839 -1.239) 2.218 4.316 ( -0.067 1.839 -1.239) 2.218 4.407 ( -7.283 -2.496 1.526) 7.849 4.407 ( -7.283 2.496 1.526) 7.849 4.667 ( 5.039 -0.876 4.853) 7.050 4.667 ( 5.039 0.876 4.853) 7.050 4.735 ( 2.103 -3.998 2.446) 5.137 4.735 ( 2.103 3.998 2.446) 5.137 4.843 ( 2.497 -6.030 1.844) 6.782 4.843 ( 2.497 6.030 1.844) 6.782 4.923 ( -4.336 -1.994 -0.797) 4.838 4.923 ( -4.336 1.994 -0.797) 4.838 5.013 ( 3.087 -6.132 5.493) 8.792 5.013 ( 3.087 6.132 5.493) 8.792 5.156 ( -5.144 -4.673 2.620) 7.427 5.156 ( -5.144 4.673 2.620) 7.427 5.355 ( 2.245 -11.891 4.263) 12.830 5.355 ( 2.245 11.891 4.263) 12.830 5.440 ( -4.664 -6.218 8.753) 11.706 5.440 ( -4.664 6.218 8.753) 11.706 5.738 ( 2.847 -4.217 8.310) 9.744 5.738 ( 2.847 4.217 8.310) 9.744 5.765 ( 0.327 -2.203 7.171) 7.509 5.765 ( 0.327 2.203 7.171) 7.509 5.914 ( 3.661 -10.116 0.443) 10.767 5.914 ( 3.661 10.116 0.443) 10.767 6.009 ( -3.842 -9.233 -0.379) 10.008 6.009 ( -3.842 9.233 -0.379) 10.008 6.149 ( 7.406 -6.823 7.309) 12.443 6.149 ( 7.406 6.823 7.309) 12.443 6.319 ( -4.126 -4.207 2.985) 6.605 6.319 ( -4.126 4.207 2.985) 6.605 6.478 ( 11.648 -6.728 8.655) 15.995 6.478 ( 11.648 6.728 8.655) 15.995 6.616 ( 2.458 -3.809 9.611) 10.626 6.616 ( 2.458 3.809 9.611) 10.626 6.699 ( 0.054 -5.912 5.020) 7.756 6.699 ( 0.054 5.912 5.020) 7.756 6.793 ( -6.933 -1.978 7.462) 10.375 6.793 ( -6.933 1.978 7.462) 10.375 7.043 ( 2.019 -6.336 6.858) 9.553 7.043 ( 2.019 6.336 6.858) 9.553 7.130 ( -6.543 -1.559 8.959) 11.203 7.130 ( -6.543 1.559 8.959) 11.203 7.408 ( 2.676 -7.098 5.020) 9.097 7.408 ( 2.676 7.098 5.020) 9.097 7.473 ( -1.243 -4.971 8.775) 10.161 7.473 ( -1.243 4.971 8.775) 10.161 7.778 ( 7.847 -5.407 -3.494) 10.149 7.778 ( 7.847 5.407 -3.494) 10.149 7.969 ( -5.639 -2.568 0.049) 6.196 7.969 ( -5.639 2.568 0.049) 6.196 8.340 ( 7.884 -8.051 -10.825) 15.625 8.340 ( 7.884 8.051 -10.825) 15.625 8.528 ( -5.047 -4.429 -16.335) 17.661 8.528 ( -5.047 4.429 -16.335) 17.661 8.665 ( 0.693 -11.350 -10.469) 15.456 8.665 ( 0.693 11.350 -10.469) 15.456 8.764 ( -7.099 -10.136 -3.629) 12.896 8.764 ( -7.099 10.136 -3.629) 12.896 9.321 ( 1.837 -6.742 -4.903) 8.536 9.321 ( 1.837 6.742 -4.903) 8.536 9.414 ( -6.444 -6.136 -5.864) 10.657 9.414 ( -6.444 6.136 -5.864) 10.657 9.888 ( 2.107 -7.784 0.428) 8.075 9.888 ( 2.107 7.784 0.428) 8.075 9.978 ( -5.923 -6.725 0.925) 9.009 9.978 ( -5.923 6.725 0.925) 9.009 10.355 ( 2.186 -7.796 -10.248) 13.060 10.355 ( 2.186 7.796 -10.248) 13.060 10.386 ( -0.262 -9.072 -11.420) 14.588 10.386 ( -0.262 9.072 -11.420) 14.588 10.944 ( 2.700 -4.254 -2.831) 5.780 10.944 ( 2.700 4.254 -2.831) 5.780 10.979 ( 1.159 -2.295 -1.543) 2.999 10.979 ( 1.159 2.295 -1.543) 2.999 11.271 ( 4.159 -10.377 -0.109) 11.180 11.271 ( 4.159 10.377 -0.109) 11.180 11.379 ( -3.539 -15.390 -1.909) 15.907 11.379 ( -3.539 15.390 -1.909) 15.907 12.376 ( 6.864 -3.992 3.948) 8.868 12.376 ( 6.864 3.992 3.948) 8.868 12.497 ( -3.726 -4.132 4.666) 7.262 12.497 ( -3.726 4.132 4.666) 7.262 13.775 ( 1.967 -11.573 -2.645) 12.033 13.775 ( 1.967 11.573 -2.645) 12.033 13.859 ( -4.640 -10.970 -3.202) 12.334 13.859 ( -4.640 10.970 -3.202) 12.334 14.171 ( 3.603 -11.126 -0.297) 11.699 14.171 ( 3.603 11.126 -0.297) 11.699 14.248 ( -2.870 -9.115 0.428) 9.566 14.248 ( -2.870 9.115 0.428) 9.566 15.057 ( 0.566 -15.362 4.277) 15.956 15.057 ( 0.566 15.362 4.277) 15.956 15.100 ( -2.999 -11.682 2.569) 12.331 15.100 ( -2.999 11.682 2.569) 12.331 15.369 ( 5.507 -5.890 1.095) 8.138 15.369 ( 5.507 5.890 1.095) 8.138 15.509 ( -7.194 -3.039 0.599) 7.833 15.509 ( -7.194 3.039 0.599) 7.833 16.807 ( 2.503 -10.104 3.243) 10.902 16.807 ( 2.503 10.104 3.243) 10.902 16.845 ( -0.810 -9.763 2.674) 10.155 16.845 ( -0.810 9.763 2.674) 10.155 19.658 ( 1.254 -6.096 0.982) 6.301 19.658 ( 1.254 6.096 0.982) 6.301 19.688 ( -1.406 -5.557 0.036) 5.732 19.688 ( -1.406 5.557 0.036) 5.732 25.552 ( 2.560 -4.490 -1.210) 5.308 25.552 ( 2.560 4.490 -1.210) 5.308 25.620 ( -3.672 -4.460 -3.333) 6.670 25.620 ( -3.672 4.460 -3.333) 6.670 27.365 ( 1.935 -3.209 3.419) 5.073 27.365 ( 1.935 3.209 3.419) 5.073 27.420 ( -2.400 -2.294 4.674) 5.733 27.420 ( -2.400 2.294 4.674) 5.733 27.544 ( 4.427 -1.510 -1.015) 4.786 27.544 ( 4.427 1.510 -1.015) 4.786 27.631 ( -3.006 -1.108 0.299) 3.218 27.631 ( -3.006 1.108 0.299) 3.218 27.886 ( 2.812 -1.919 1.380) 3.674 27.886 ( 2.812 1.919 1.380) 3.674 27.954 ( -2.748 -2.411 1.066) 3.808 27.954 ( -2.748 2.411 1.066) 3.808 28.243 ( 4.655 -6.205 -2.870) 8.271 28.243 ( 4.655 6.205 -2.870) 8.271 28.320 ( -1.620 -5.915 -4.753) 7.759 28.320 ( -1.620 5.915 -4.753) 7.759 28.644 ( 3.562 -4.814 -1.676) 6.218 28.644 ( 3.562 4.814 -1.676) 6.218 28.702 ( -1.291 -5.092 -2.067) 5.645 28.702 ( -1.291 5.092 -2.067) 5.645 30.904 ( 0.080 -12.264 5.869) 13.596 30.904 ( 0.080 12.264 5.869) 13.596 30.955 ( -4.316 -10.824 3.068) 12.050 30.955 ( -4.316 10.824 3.068) 12.050 ======================= Grid point 100 (37/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.297 ( 0.000 0.000 14.297) 14.297 2.418 ( 0.000 0.000 10.910) 10.910 2.482 ( 0.000 0.000 22.112) 22.112 2.497 ( 0.000 0.000 17.689) 17.689 2.607 ( 0.000 0.000 -3.082) 3.082 2.625 ( 0.000 0.000 -0.751) 0.751 2.801 ( 0.000 0.000 0.379) 0.379 2.943 ( 0.000 0.000 -10.174) 10.174 2.948 ( 0.000 0.000 9.725) 9.725 2.983 ( 0.000 0.000 -14.120) 14.120 3.011 ( 0.000 0.000 -20.949) 20.949 3.326 ( 0.000 0.000 -24.256) 24.256 3.363 ( 0.000 0.000 3.505) 3.505 3.406 ( 0.000 0.000 -1.269) 1.269 3.660 ( 0.000 0.000 3.726) 3.726 3.747 ( 0.000 0.000 1.239) 1.239 3.867 ( 0.000 0.000 19.555) 19.555 3.935 ( 0.000 0.000 9.369) 9.369 4.131 ( 0.000 0.000 -7.005) 7.005 4.222 ( 0.000 0.000 -7.386) 7.386 4.245 ( 0.000 0.000 1.315) 1.315 4.276 ( 0.000 0.000 0.227) 0.227 4.387 ( 0.000 0.000 6.837) 6.837 4.397 ( 0.000 0.000 3.751) 3.751 4.528 ( 0.000 0.000 3.887) 3.887 4.583 ( 0.000 0.000 -0.204) 0.204 4.683 ( 0.000 0.000 -6.329) 6.329 4.724 ( 0.000 0.000 -8.513) 8.513 4.790 ( 0.000 0.000 14.143) 14.143 4.996 ( 0.000 0.000 5.913) 5.913 4.998 ( 0.000 0.000 -0.201) 0.201 5.075 ( 0.000 0.000 -9.742) 9.742 5.079 ( 0.000 0.000 -7.786) 7.786 5.111 ( 0.000 0.000 -1.255) 1.255 5.200 ( 0.000 0.000 -2.592) 2.592 5.245 ( 0.000 0.000 -7.300) 7.300 5.576 ( 0.000 0.000 2.915) 2.915 5.629 ( 0.000 0.000 -2.057) 2.057 5.672 ( 0.000 0.000 5.697) 5.697 5.691 ( 0.000 0.000 12.982) 12.982 5.716 ( 0.000 0.000 9.058) 9.058 5.739 ( 0.000 0.000 -1.320) 1.320 5.860 ( 0.000 0.000 -4.491) 4.491 5.866 ( 0.000 0.000 -6.698) 6.698 5.928 ( 0.000 0.000 8.182) 8.182 5.943 ( 0.000 0.000 -0.531) 0.531 5.972 ( 0.000 0.000 3.162) 3.162 6.050 ( 0.000 0.000 10.259) 10.259 6.108 ( 0.000 0.000 1.421) 1.421 6.122 ( 0.000 0.000 -5.297) 5.297 6.276 ( 0.000 0.000 6.388) 6.388 6.367 ( 0.000 0.000 -4.223) 4.223 6.367 ( 0.000 0.000 -6.369) 6.369 6.408 ( 0.000 0.000 -5.060) 5.060 6.439 ( 0.000 0.000 9.665) 9.665 6.496 ( 0.000 0.000 1.865) 1.865 6.525 ( 0.000 0.000 -0.835) 0.835 6.715 ( 0.000 0.000 -12.592) 12.592 6.721 ( 0.000 0.000 4.857) 4.857 6.833 ( 0.000 0.000 -3.746) 3.746 7.057 ( 0.000 0.000 10.882) 10.882 7.203 ( 0.000 0.000 2.934) 2.934 7.270 ( 0.000 0.000 -7.163) 7.163 7.321 ( 0.000 0.000 -6.639) 6.639 7.431 ( 0.000 0.000 19.189) 19.189 7.583 ( 0.000 0.000 12.384) 12.384 7.588 ( 0.000 0.000 23.739) 23.739 7.771 ( 0.000 0.000 -3.270) 3.270 7.776 ( 0.000 0.000 7.559) 7.559 7.801 ( 0.000 0.000 4.905) 4.905 7.846 ( 0.000 0.000 2.628) 2.628 7.852 ( 0.000 0.000 -2.865) 2.865 7.895 ( 0.000 0.000 -16.562) 16.562 7.986 ( 0.000 0.000 -8.923) 8.923 8.298 ( 0.000 0.000 3.623) 3.623 8.578 ( 0.000 0.000 -14.593) 14.593 8.759 ( 0.000 0.000 5.572) 5.572 8.820 ( 0.000 0.000 0.733) 0.733 9.177 ( 0.000 0.000 1.709) 1.709 9.178 ( 0.000 0.000 -2.093) 2.093 9.219 ( 0.000 0.000 -1.679) 1.679 9.257 ( 0.000 0.000 -10.952) 10.952 9.654 ( 0.000 0.000 1.458) 1.458 9.668 ( 0.000 0.000 1.692) 1.692 9.713 ( 0.000 0.000 -2.939) 2.939 9.766 ( 0.000 0.000 -6.695) 6.695 9.904 ( 0.000 0.000 8.975) 8.975 10.144 ( 0.000 0.000 -11.744) 11.744 10.203 ( 0.000 0.000 -0.527) 0.527 10.233 ( 0.000 0.000 -3.562) 3.562 10.237 ( 0.000 0.000 2.529) 2.529 10.293 ( 0.000 0.000 -2.318) 2.318 10.452 ( 0.000 0.000 -4.194) 4.194 10.492 ( 0.000 0.000 -8.473) 8.473 10.974 ( 0.000 0.000 1.213) 1.213 11.004 ( 0.000 0.000 -1.981) 1.981 11.163 ( 0.000 0.000 1.621) 1.621 11.209 ( 0.000 0.000 -0.809) 0.809 11.480 ( 0.000 0.000 1.517) 1.517 11.579 ( 0.000 0.000 -5.948) 5.948 12.183 ( 0.000 0.000 6.675) 6.675 12.314 ( 0.000 0.000 -5.737) 5.737 12.808 ( 0.000 0.000 3.421) 3.421 12.863 ( 0.000 0.000 -1.746) 1.746 13.348 ( 0.000 0.000 1.417) 1.417 13.381 ( 0.000 0.000 -2.103) 2.103 13.753 ( 0.000 0.000 2.389) 2.389 13.818 ( 0.000 0.000 9.914) 9.914 13.824 ( 0.000 0.000 -4.001) 4.001 14.017 ( 0.000 0.000 -8.648) 8.648 14.634 ( 0.000 0.000 11.242) 11.242 14.727 ( 0.000 0.000 6.309) 6.309 14.799 ( 0.000 0.000 0.134) 0.134 14.842 ( 0.000 0.000 -8.097) 8.097 15.261 ( 0.000 0.000 2.143) 2.143 15.309 ( 0.000 0.000 -2.170) 2.170 15.547 ( 0.000 0.000 1.979) 1.979 15.550 ( 0.000 0.000 2.098) 2.098 15.801 ( 0.000 0.000 3.031) 3.031 15.879 ( 0.000 0.000 -4.494) 4.494 16.439 ( 0.000 0.000 3.856) 3.856 16.519 ( 0.000 0.000 -3.576) 3.576 17.005 ( 0.000 0.000 1.569) 1.569 17.011 ( 0.000 0.000 1.058) 1.058 19.612 ( 0.000 0.000 5.194) 5.194 19.717 ( 0.000 0.000 3.259) 3.259 19.724 ( 0.000 0.000 -5.164) 5.164 19.783 ( 0.000 0.000 -3.243) 3.243 25.480 ( 0.000 0.000 2.286) 2.286 25.559 ( 0.000 0.000 -4.915) 4.915 25.591 ( 0.000 0.000 2.792) 2.792 25.662 ( 0.000 0.000 -3.395) 3.395 27.349 ( 0.000 0.000 2.076) 2.076 27.394 ( 0.000 0.000 2.656) 2.656 27.412 ( 0.000 0.000 -3.992) 3.992 27.445 ( 0.000 0.000 -1.883) 1.883 27.536 ( 0.000 0.000 4.529) 4.529 27.606 ( 0.000 0.000 -2.291) 2.291 27.610 ( 0.000 0.000 2.512) 2.512 27.620 ( 0.000 0.000 0.935) 0.935 27.863 ( 0.000 0.000 6.060) 6.060 27.918 ( 0.000 0.000 3.487) 3.487 27.955 ( 0.000 0.000 1.971) 1.971 27.999 ( 0.000 0.000 -2.061) 2.061 28.040 ( 0.000 0.000 -2.109) 2.109 28.067 ( 0.000 0.000 -7.757) 7.757 28.327 ( 0.000 0.000 -0.857) 0.857 28.348 ( 0.000 0.000 -3.473) 3.473 28.434 ( 0.000 0.000 2.271) 2.271 28.492 ( 0.000 0.000 -3.003) 3.003 28.584 ( 0.000 0.000 2.966) 2.966 28.674 ( 0.000 0.000 -5.110) 5.110 30.849 ( 0.000 0.000 6.396) 6.396 30.918 ( 0.000 0.000 -0.514) 0.514 31.327 ( 0.000 0.000 1.881) 1.881 31.352 ( 0.000 0.000 -0.231) 0.231 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.229 ( -10.224 0.000 15.299) 18.401 2.244 ( -2.772 0.000 12.994) 13.287 2.484 ( -1.314 0.000 5.109) 5.275 2.516 ( -2.537 0.000 15.692) 15.896 2.573 ( -5.319 0.000 -15.032) 15.946 2.603 ( -1.325 0.000 2.921) 3.207 2.819 ( 1.849 0.000 0.511) 1.918 2.850 ( -9.066 0.000 -13.446) 16.217 2.851 ( -7.363 0.000 -5.950) 9.467 2.935 ( 0.672 0.000 12.738) 12.756 3.009 ( -1.815 0.000 -16.552) 16.651 3.333 ( 1.551 0.000 -19.424) 19.486 3.405 ( 3.368 0.000 3.531) 4.880 3.449 ( 3.629 0.000 -1.635) 3.980 3.561 ( -8.456 0.000 5.294) 9.977 3.712 ( -4.312 0.000 -4.010) 5.888 3.836 ( -2.255 0.000 12.545) 12.746 3.978 ( 3.861 0.000 5.414) 6.649 4.089 ( -2.617 0.000 -5.180) 5.803 4.095 ( -9.862 0.000 -7.843) 12.600 4.275 ( 2.740 0.000 0.073) 2.741 4.289 ( -4.640 0.000 8.569) 9.745 4.305 ( 1.811 0.000 -2.860) 3.385 4.444 ( -1.468 0.000 -3.817) 4.090 4.587 ( -3.780 0.000 8.404) 9.214 4.627 ( -0.194 0.000 5.011) 5.014 4.669 ( 7.644 0.000 3.128) 8.259 4.757 ( 6.919 0.000 -3.995) 7.989 4.878 ( -2.462 0.000 4.740) 5.341 4.933 ( -2.128 0.000 -1.704) 2.726 4.994 ( 5.030 0.000 -1.922) 5.384 5.003 ( 0.905 0.000 -1.059) 1.393 5.026 ( -2.380 0.000 -1.134) 2.637 5.125 ( -0.394 0.000 -7.456) 7.466 5.258 ( 3.824 0.000 2.588) 4.618 5.310 ( 2.206 0.000 -2.804) 3.567 5.418 ( -12.381 0.000 2.518) 12.634 5.477 ( -4.799 0.000 -3.201) 5.769 5.506 ( -10.688 0.000 5.842) 12.181 5.622 ( -11.646 0.000 -3.640) 12.202 5.811 ( 1.748 0.000 5.107) 5.398 5.841 ( 8.071 0.000 1.553) 8.219 5.843 ( 3.989 0.000 7.876) 8.828 5.909 ( -1.882 0.000 -0.025) 1.882 5.934 ( 5.908 0.000 0.768) 5.957 5.972 ( 4.256 0.000 -3.911) 5.780 6.104 ( -0.054 0.000 5.267) 5.267 6.127 ( 8.889 0.000 5.063) 10.230 6.178 ( 5.446 0.000 -0.694) 5.490 6.224 ( 6.888 0.000 12.418) 14.200 6.238 ( -0.812 0.000 -5.779) 5.835 6.316 ( 2.648 0.000 7.299) 7.765 6.454 ( 9.306 0.000 -7.588) 12.008 6.466 ( 2.567 0.000 -3.174) 4.082 6.565 ( 6.103 0.000 1.772) 6.355 6.613 ( 7.684 0.000 -1.519) 7.833 6.665 ( 14.769 0.000 9.502) 17.561 6.802 ( 5.803 0.000 5.633) 8.088 6.867 ( 6.601 0.000 -8.472) 10.740 6.932 ( 7.549 0.000 -5.451) 9.311 7.104 ( 4.643 0.000 11.565) 12.462 7.183 ( 0.032 0.000 6.714) 6.714 7.311 ( 3.823 0.000 -5.099) 6.373 7.331 ( 1.763 0.000 -4.741) 5.059 7.416 ( -1.398 0.000 15.035) 15.100 7.548 ( -4.172 0.000 21.396) 21.799 7.595 ( 0.863 0.000 10.575) 10.610 7.755 ( 1.032 0.000 -2.158) 2.392 7.761 ( -1.785 0.000 7.629) 7.835 7.816 ( 0.991 0.000 3.424) 3.564 7.824 ( -2.738 0.000 -13.204) 13.485 7.889 ( 1.656 0.000 -3.768) 4.115 7.913 ( 2.946 0.000 -1.755) 3.429 8.053 ( 5.424 0.000 -9.745) 11.153 8.170 ( -9.689 0.000 2.509) 10.008 8.492 ( -6.543 0.000 -17.069) 18.280 8.557 ( -17.235 0.000 8.387) 19.168 8.674 ( -12.687 0.000 0.039) 12.688 9.146 ( -2.566 0.000 -1.443) 2.944 9.184 ( -3.974 0.000 1.173) 4.144 9.200 ( -0.125 0.000 -0.426) 0.444 9.221 ( -2.769 0.000 -9.688) 10.076 9.502 ( -7.752 0.000 0.063) 7.752 9.575 ( -8.136 0.000 -7.343) 10.960 9.620 ( -3.415 0.000 -0.038) 3.415 9.683 ( -6.330 0.000 -5.780) 8.572 10.032 ( 7.456 0.000 7.066) 10.272 10.148 ( -3.576 0.000 1.274) 3.796 10.183 ( 2.728 0.000 -6.750) 7.280 10.226 ( -3.046 0.000 -5.877) 6.620 10.368 ( -4.588 0.000 -1.819) 4.935 10.414 ( 10.338 0.000 0.939) 10.381 10.453 ( 11.062 0.000 -2.422) 11.324 10.465 ( -2.227 0.000 -10.318) 10.556 10.933 ( -2.238 0.000 2.078) 3.054 10.945 ( -9.152 0.000 3.897) 9.947 10.978 ( -1.862 0.000 -2.475) 3.098 11.029 ( -10.064 0.000 -3.973) 10.819 11.672 ( 9.617 0.000 4.861) 10.776 11.780 ( 6.209 0.000 -5.404) 8.231 12.297 ( 10.511 0.000 3.004) 10.932 12.373 ( 6.367 0.000 -3.813) 7.422 12.860 ( 4.406 0.000 3.403) 5.567 12.916 ( 4.414 0.000 -1.934) 4.819 13.322 ( -2.244 0.000 0.714) 2.355 13.346 ( -2.981 0.000 -1.912) 3.542 13.765 ( 0.607 0.000 4.095) 4.140 13.827 ( 0.279 0.000 3.286) 3.298 13.889 ( 6.928 0.000 3.263) 7.657 14.085 ( 5.557 0.000 -9.887) 11.342 14.590 ( -3.500 0.000 9.365) 9.998 14.683 ( -3.923 0.000 5.689) 6.911 14.718 ( -5.288 0.000 -0.355) 5.300 14.817 ( -3.757 0.000 -6.509) 7.515 15.162 ( -7.706 0.000 2.872) 8.224 15.217 ( -7.301 0.000 -2.261) 7.643 15.545 ( 0.123 0.000 3.312) 3.314 15.570 ( 0.678 0.000 0.607) 0.910 15.837 ( 2.902 0.000 2.631) 3.917 15.899 ( 1.514 0.000 -3.413) 3.734 16.397 ( -3.003 0.000 3.107) 4.321 16.455 ( -4.675 0.000 -2.300) 5.210 17.054 ( 3.909 0.000 1.918) 4.355 17.073 ( 4.052 0.000 0.133) 4.054 19.610 ( -0.143 0.000 4.557) 4.559 19.673 ( -2.183 0.000 0.361) 2.212 19.762 ( 1.595 0.000 -1.833) 2.430 19.788 ( 0.391 0.000 -3.005) 3.031 25.439 ( -2.468 0.000 1.635) 2.960 25.501 ( -4.006 0.000 -4.404) 5.953 25.631 ( 2.715 0.000 2.905) 3.976 25.692 ( 1.451 0.000 -2.944) 3.282 27.363 ( -1.154 0.000 3.282) 3.479 27.385 ( 3.070 0.000 1.500) 3.417 27.435 ( 2.183 0.000 -3.328) 3.980 27.435 ( -0.039 0.000 -3.427) 3.427 27.562 ( -0.266 0.000 4.894) 4.901 27.598 ( -1.035 0.000 2.642) 2.837 27.621 ( -0.195 0.000 -0.686) 0.713 27.633 ( 0.150 0.000 -0.439) 0.464 27.884 ( -0.420 0.000 2.965) 2.995 27.917 ( 3.977 0.000 0.689) 4.037 27.953 ( 0.360 0.000 2.888) 2.911 28.001 ( -0.824 0.000 1.428) 1.649 28.007 ( 0.708 0.000 -1.919) 2.046 28.118 ( 1.458 0.000 -8.047) 8.178 28.340 ( 2.642 0.000 1.387) 2.984 28.402 ( 2.883 0.000 -4.371) 5.236 28.413 ( -1.298 0.000 2.511) 2.826 28.481 ( -1.553 0.000 -3.998) 4.290 28.646 ( 5.426 0.000 2.625) 6.027 28.720 ( 3.779 0.000 -4.303) 5.727 30.803 ( -3.711 0.000 5.981) 7.039 30.863 ( -4.636 0.000 -0.034) 4.636 31.292 ( -2.818 0.000 1.836) 3.363 31.313 ( -3.202 0.000 0.030) 3.202 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.127 ( 2.524 0.000 2.804) 3.773 2.249 ( 3.913 0.000 2.727) 4.769 2.323 ( -13.333 0.000 -15.316) 20.306 2.391 ( -7.545 0.000 -10.138) 12.637 2.523 ( 2.497 0.000 6.835) 7.276 2.571 ( 1.338 0.000 8.350) 8.457 2.651 ( -8.591 0.000 -3.711) 9.358 2.677 ( -7.674 0.000 -1.204) 7.768 2.883 ( 3.446 0.000 -4.942) 6.025 2.952 ( -2.992 0.000 -10.114) 10.548 3.059 ( 10.312 0.000 16.673) 19.605 3.315 ( -11.843 0.000 13.844) 18.219 3.426 ( 5.222 0.000 -17.688) 18.443 3.487 ( 3.929 0.000 1.828) 4.333 3.525 ( 1.713 0.000 -2.475) 3.010 3.577 ( -7.552 0.000 -10.238) 12.721 3.802 ( 0.343 0.000 4.299) 4.313 3.896 ( -7.835 0.000 -3.404) 8.543 4.040 ( 1.069 0.000 -0.402) 1.142 4.053 ( -0.864 0.000 -1.664) 1.875 4.239 ( 0.910 0.000 3.282) 3.405 4.319 ( 0.885 0.000 0.358) 0.955 4.322 ( -6.414 0.000 -4.364) 7.758 4.330 ( 0.310 0.000 -1.126) 1.168 4.557 ( 3.333 0.000 2.438) 4.130 4.618 ( -1.002 0.000 -3.086) 3.244 4.843 ( 1.369 0.000 4.325) 4.536 4.849 ( 8.436 0.000 6.505) 10.653 4.908 ( 0.306 0.000 -1.057) 1.101 4.938 ( 3.123 0.000 0.154) 3.126 4.970 ( -8.862 0.000 3.560) 9.550 5.006 ( 3.327 0.000 2.012) 3.888 5.024 ( -10.071 0.000 -1.269) 10.151 5.061 ( 2.655 0.000 -3.998) 4.799 5.267 ( 6.271 0.000 8.057) 10.210 5.296 ( -6.384 0.000 3.519) 7.290 5.356 ( -0.356 0.000 6.826) 6.836 5.378 ( -10.472 0.000 -3.331) 10.989 5.417 ( 8.024 0.000 -4.375) 9.139 5.514 ( 1.589 0.000 -9.415) 9.548 5.753 ( -0.796 0.000 5.459) 5.517 5.823 ( -4.572 0.000 -1.673) 4.868 5.920 ( 3.930 0.000 7.975) 8.891 6.001 ( -2.805 0.000 3.441) 4.440 6.008 ( 3.212 0.000 2.970) 4.375 6.030 ( 1.020 0.000 1.376) 1.713 6.099 ( 1.568 0.000 -2.502) 2.953 6.146 ( -2.678 0.000 -3.136) 4.124 6.298 ( 5.701 0.000 0.567) 5.729 6.315 ( 4.391 0.000 -0.509) 4.420 6.394 ( 4.792 0.000 10.455) 11.500 6.466 ( -2.001 0.000 3.088) 3.680 6.545 ( 15.670 0.000 10.482) 18.853 6.710 ( 10.814 0.000 -0.910) 10.853 6.730 ( 8.683 0.000 5.301) 10.174 6.813 ( 8.693 0.000 -2.003) 8.921 6.844 ( -6.410 0.000 2.096) 6.744 6.874 ( 0.610 0.000 8.256) 8.279 6.875 ( 0.961 0.000 0.813) 1.259 6.991 ( -3.322 0.000 -1.952) 3.853 7.269 ( 8.628 0.000 9.864) 13.105 7.269 ( 4.665 0.000 10.573) 11.556 7.337 ( -3.813 0.000 11.698) 12.304 7.366 ( -2.111 0.000 8.279) 8.544 7.404 ( 4.394 0.000 -3.263) 5.473 7.518 ( 6.167 0.000 -4.712) 7.761 7.565 ( -7.258 0.000 -6.243) 9.574 7.701 ( -8.163 0.000 -14.633) 16.755 7.755 ( 7.342 0.000 7.617) 10.579 7.789 ( 2.633 0.000 21.438) 21.599 7.924 ( 2.642 0.000 1.540) 3.059 7.948 ( -8.707 0.000 14.485) 16.901 7.951 ( 1.853 0.000 -2.434) 3.059 7.993 ( 11.248 0.000 -2.742) 11.577 8.125 ( -19.196 0.000 7.559) 20.630 8.230 ( 8.150 0.000 -19.005) 20.679 8.349 ( -16.528 0.000 -5.100) 17.297 8.365 ( -5.016 0.000 -20.205) 20.818 9.065 ( -3.690 0.000 1.881) 4.142 9.113 ( 0.357 0.000 -0.838) 0.911 9.117 ( -6.618 0.000 -3.264) 7.379 9.157 ( -3.047 0.000 -4.521) 5.452 9.400 ( -1.401 0.000 -6.609) 6.756 9.439 ( -4.500 0.000 -9.921) 10.894 9.574 ( -0.625 0.000 -1.603) 1.720 9.586 ( -1.985 0.000 -2.842) 3.466 10.084 ( -1.653 0.000 0.617) 1.764 10.111 ( -4.505 0.000 -1.470) 4.739 10.178 ( 5.799 0.000 2.997) 6.528 10.236 ( 0.918 0.000 -2.468) 2.634 10.358 ( 2.188 0.000 -5.176) 5.620 10.414 ( -2.552 0.000 -9.703) 10.033 10.552 ( 1.820 0.000 0.148) 1.826 10.563 ( -0.011 0.000 -0.960) 0.960 10.840 ( -1.211 0.000 1.645) 2.042 10.877 ( -4.425 0.000 -1.968) 4.843 10.948 ( 2.718 0.000 1.147) 2.950 10.967 ( 0.748 0.000 -0.750) 1.059 11.780 ( 2.082 0.000 1.436) 2.530 11.812 ( -1.031 0.000 -1.596) 1.900 12.504 ( 6.369 0.000 1.058) 6.456 12.524 ( 4.509 0.000 -0.892) 4.596 12.969 ( 4.781 0.000 2.538) 5.413 13.005 ( 2.196 0.000 -1.015) 2.419 13.274 ( -1.509 0.000 -0.717) 1.671 13.281 ( -2.216 0.000 -1.496) 2.674 13.790 ( 1.684 0.000 6.207) 6.432 13.821 ( -0.936 0.000 4.662) 4.755 14.073 ( 8.740 0.000 1.273) 8.832 14.181 ( 0.601 0.000 -6.818) 6.844 14.540 ( 0.750 0.000 4.355) 4.419 14.604 ( -3.281 0.000 4.303) 5.411 14.617 ( -2.186 0.000 -0.942) 2.380 14.690 ( -6.989 0.000 -4.349) 8.231 15.024 ( -3.198 0.000 2.030) 3.788 15.060 ( -5.893 0.000 -1.407) 6.059 15.552 ( 0.598 0.000 2.663) 2.730 15.568 ( -0.707 0.000 0.989) 1.216 15.899 ( 2.362 0.000 1.206) 2.652 15.922 ( 0.223 0.000 -1.082) 1.105 16.349 ( -0.893 0.000 1.494) 1.740 16.369 ( -2.739 0.000 -0.316) 2.757 17.127 ( 2.305 0.000 1.347) 2.670 17.137 ( 1.467 0.000 0.426) 1.528 19.612 ( 0.461 0.000 3.123) 3.157 19.632 ( -1.503 0.000 1.578) 2.180 19.787 ( 0.773 0.000 -2.075) 2.214 19.795 ( 0.069 0.000 -2.526) 2.527 25.405 ( -0.370 0.000 -0.113) 0.387 25.428 ( -2.458 0.000 -2.291) 3.360 25.681 ( 1.801 0.000 1.195) 2.162 25.704 ( -0.326 0.000 -1.009) 1.061 27.376 ( 2.318 0.000 3.362) 4.084 27.436 ( -1.641 0.000 -1.309) 2.099 27.463 ( 3.729 0.000 0.967) 3.852 27.497 ( 2.598 0.000 -2.329) 3.489 27.527 ( -0.022 0.000 2.296) 2.296 27.561 ( -1.603 0.000 1.875) 2.467 27.578 ( -3.168 0.000 -1.350) 3.444 27.602 ( -2.987 0.000 -1.823) 3.500 27.911 ( 1.819 0.000 2.714) 3.267 27.941 ( -1.007 0.000 0.082) 1.011 27.983 ( 2.106 0.000 3.131) 3.774 28.016 ( -0.459 0.000 0.280) 0.538 28.065 ( 4.603 0.000 0.064) 4.604 28.124 ( -0.900 0.000 -4.830) 4.913 28.400 ( 0.478 0.000 0.252) 0.540 28.409 ( 2.819 0.000 -0.243) 2.829 28.435 ( -2.378 0.000 -2.860) 3.720 28.439 ( 0.214 0.000 -2.941) 2.949 28.765 ( 4.369 0.000 0.397) 4.387 28.793 ( 1.850 0.000 -2.219) 2.889 30.733 ( -1.695 0.000 4.317) 4.638 30.759 ( -3.960 0.000 1.709) 4.313 31.237 ( -1.528 0.000 1.464) 2.117 31.246 ( -2.291 0.000 0.648) 2.381 ======================= Grid point 105 (40/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 0.000 0.896 14.485) 14.513 2.389 ( 0.000 -2.464 15.613) 15.806 2.497 ( 0.000 1.152 11.339) 11.398 2.523 ( 0.000 1.712 18.733) 18.811 2.639 ( 0.000 2.691 -3.705) 4.579 2.642 ( 0.000 2.294 -4.092) 4.691 2.794 ( 0.000 -1.563 0.291) 1.589 2.814 ( 0.000 -7.355 -12.635) 14.620 2.978 ( 0.000 4.555 -0.018) 4.555 3.069 ( 0.000 3.891 -8.421) 9.277 3.080 ( 0.000 5.248 -8.908) 10.339 3.278 ( 0.000 -5.839 -6.830) 8.985 3.363 ( 0.000 -2.759 -0.028) 2.759 3.404 ( 0.000 2.171 -13.429) 13.604 3.687 ( 0.000 3.675 6.731) 7.669 3.768 ( 0.000 0.182 5.834) 5.837 3.797 ( 0.000 -3.467 14.348) 14.761 3.901 ( 0.000 -1.965 -0.290) 1.986 4.160 ( 0.000 0.623 -5.037) 5.076 4.184 ( 0.000 -2.794 -3.057) 4.141 4.330 ( 0.000 4.353 2.321) 4.933 4.330 ( 0.000 6.525 2.819) 7.108 4.474 ( 0.000 5.453 5.326) 7.622 4.497 ( 0.000 8.201 4.886) 9.547 4.535 ( 0.000 2.595 5.102) 5.724 4.660 ( 0.000 0.020 -3.390) 3.390 4.668 ( 0.000 9.080 -4.619) 10.188 4.721 ( 0.000 -1.265 -7.594) 7.698 4.791 ( 0.000 -0.381 11.277) 11.283 4.878 ( 0.000 -7.255 3.055) 7.872 4.967 ( 0.000 -6.714 -4.788) 8.246 5.013 ( 0.000 -1.370 -10.404) 10.494 5.185 ( 0.000 4.034 -1.472) 4.294 5.191 ( 0.000 7.375 -1.016) 7.445 5.259 ( 0.000 4.539 1.024) 4.653 5.285 ( 0.000 5.656 -1.554) 5.865 5.504 ( 0.000 -7.301 3.985) 8.318 5.590 ( 0.000 -7.231 0.319) 7.238 5.613 ( 0.000 -0.747 0.920) 1.185 5.638 ( 0.000 -2.787 0.865) 2.918 5.737 ( 0.000 -0.738 6.341) 6.383 5.770 ( 0.000 -3.459 3.955) 5.254 5.795 ( 0.000 1.444 4.580) 4.802 5.843 ( 0.000 0.025 -2.747) 2.747 5.893 ( 0.000 -3.833 0.706) 3.897 5.936 ( 0.000 -10.303 -3.234) 10.799 5.985 ( 0.000 1.578 -5.541) 5.761 5.996 ( 0.000 -2.231 -5.172) 5.632 6.095 ( 0.000 3.503 12.004) 12.505 6.101 ( 0.000 -2.516 12.678) 12.925 6.136 ( 0.000 -9.992 9.976) 14.120 6.292 ( 0.000 0.782 5.759) 5.812 6.397 ( 0.000 -0.409 -4.884) 4.901 6.398 ( 0.000 1.456 -3.076) 3.403 6.415 ( 0.000 -9.384 -9.705) 13.500 6.449 ( 0.000 3.065 -6.826) 7.483 6.680 ( 0.000 2.657 3.894) 4.714 6.719 ( 0.000 10.501 -1.539) 10.613 6.799 ( 0.000 1.736 -4.679) 4.990 6.819 ( 0.000 -0.964 -2.641) 2.811 7.004 ( 0.000 -14.091 8.214) 16.310 7.161 ( 0.000 0.336 0.537) 0.633 7.206 ( 0.000 -2.057 0.706) 2.175 7.339 ( 0.000 5.072 -4.667) 6.893 7.459 ( 0.000 -0.368 18.337) 18.341 7.567 ( 0.000 -3.215 11.877) 12.304 7.669 ( 0.000 4.725 12.891) 13.729 7.714 ( 0.000 0.283 2.676) 2.691 7.730 ( 0.000 -3.732 -4.205) 5.622 7.821 ( 0.000 -3.664 -1.014) 3.802 7.844 ( 0.000 1.565 3.489) 3.824 7.887 ( 0.000 0.181 1.999) 2.007 7.896 ( 0.000 6.118 0.140) 6.120 8.027 ( 0.000 2.315 -9.483) 9.762 8.355 ( 0.000 5.077 0.288) 5.085 8.540 ( 0.000 -3.421 -11.105) 11.620 8.769 ( 0.000 0.404 3.907) 3.928 8.824 ( 0.000 -1.080 -1.116) 1.553 9.104 ( 0.000 -4.043 1.591) 4.345 9.110 ( 0.000 -3.366 -0.866) 3.476 9.256 ( 0.000 0.377 -2.839) 2.864 9.282 ( 0.000 1.238 -8.386) 8.477 9.551 ( 0.000 -2.765 -2.234) 3.554 9.618 ( 0.000 -8.048 -8.268) 11.538 9.829 ( 0.000 12.966 3.362) 13.395 9.900 ( 0.000 11.891 -2.888) 12.237 10.020 ( 0.000 6.684 7.058) 9.720 10.109 ( 0.000 -0.023 -2.070) 2.071 10.195 ( 0.000 -2.648 -0.557) 2.706 10.216 ( 0.000 -3.017 -3.305) 4.475 10.315 ( 0.000 5.261 0.795) 5.321 10.408 ( 0.000 9.988 -1.990) 10.184 10.513 ( 0.000 5.768 -8.831) 10.548 10.548 ( 0.000 4.835 -7.629) 9.032 10.892 ( 0.000 -6.332 -0.317) 6.340 10.905 ( 0.000 -6.988 -1.580) 7.164 11.138 ( 0.000 -4.898 2.341) 5.428 11.213 ( 0.000 -5.936 -4.959) 7.735 11.346 ( 0.000 -6.578 6.330) 9.129 11.477 ( 0.000 -7.720 -6.046) 9.805 12.169 ( 0.000 0.002 4.728) 4.728 12.257 ( 0.000 -3.603 -3.560) 5.066 12.703 ( 0.000 -8.301 2.762) 8.748 12.728 ( 0.000 -10.521 0.490) 10.532 13.586 ( 0.000 20.664 -0.590) 20.672 13.589 ( 0.000 18.071 -0.824) 18.090 13.794 ( 0.000 2.598 1.116) 2.828 13.834 ( 0.000 0.886 -2.836) 2.971 13.935 ( 0.000 9.345 5.859) 11.030 14.073 ( 0.000 3.378 -6.726) 7.527 14.519 ( 0.000 -14.534 6.437) 15.895 14.590 ( 0.000 -16.509 0.000) 16.509 14.854 ( 0.000 11.656 2.744) 11.974 14.884 ( 0.000 10.260 -0.580) 10.277 15.294 ( 0.000 2.085 2.141) 2.989 15.330 ( 0.000 0.703 -1.067) 1.278 15.517 ( 0.000 -8.241 2.626) 8.649 15.548 ( 0.000 -10.825 -0.030) 10.825 15.663 ( 0.000 -1.553 4.290) 4.563 15.760 ( 0.000 -6.002 -5.015) 7.822 16.583 ( 0.000 11.538 2.940) 11.906 16.639 ( 0.000 9.798 -2.218) 10.046 16.955 ( 0.000 -5.200 1.687) 5.467 16.965 ( 0.000 -4.681 0.760) 4.742 19.621 ( 0.000 1.172 4.242) 4.401 19.708 ( 0.000 -0.735 1.863) 2.003 19.713 ( 0.000 -0.961 -4.265) 4.372 19.742 ( 0.000 -3.793 -1.525) 4.088 25.497 ( 0.000 1.701 2.349) 2.901 25.563 ( 0.000 -0.443 -0.748) 0.869 25.593 ( 0.000 0.868 -1.288) 1.553 25.652 ( 0.000 -1.003 -3.680) 3.814 27.356 ( 0.000 0.638 0.990) 1.177 27.383 ( 0.000 -0.895 1.726) 1.944 27.389 ( 0.000 -1.571 -2.198) 2.702 27.417 ( 0.000 -2.327 -1.295) 2.663 27.557 ( 0.000 1.284 3.685) 3.903 27.572 ( 0.000 -1.137 2.619) 2.855 27.636 ( 0.000 1.115 0.664) 1.298 27.645 ( 0.000 1.269 -0.380) 1.325 27.863 ( 0.000 0.810 3.634) 3.723 27.919 ( 0.000 0.867 1.366) 1.618 27.957 ( 0.000 -1.329 0.615) 1.464 28.000 ( 0.000 -1.593 -1.295) 2.053 28.069 ( 0.000 4.062 -1.199) 4.235 28.093 ( 0.000 3.301 -4.568) 5.635 28.270 ( 0.000 -4.893 -0.806) 4.959 28.280 ( 0.000 -5.034 -1.943) 5.396 28.485 ( 0.000 3.191 0.220) 3.198 28.517 ( 0.000 1.599 -2.250) 2.760 28.599 ( 0.000 1.499 1.390) 2.044 28.663 ( 0.000 -1.088 -4.199) 4.338 30.922 ( 0.000 7.304 5.549) 9.172 30.979 ( 0.000 6.017 -0.194) 6.020 31.268 ( 0.000 -5.841 1.532) 6.039 31.278 ( 0.000 -7.320 0.920) 7.377 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.244 ( -9.595 1.205 14.811) 17.688 2.247 ( -3.848 0.348 12.977) 13.540 2.465 ( -1.540 -1.641 5.553) 5.992 2.485 ( -3.752 -2.380 13.824) 14.520 2.591 ( -6.070 1.715 -13.931) 15.292 2.619 ( -3.123 1.180 -5.119) 6.112 2.753 ( -4.972 -4.920 -7.238) 10.065 2.779 ( -2.904 -3.435 -3.613) 5.769 2.936 ( -2.392 7.000 -0.947) 7.457 3.028 ( -0.682 4.999 -0.588) 5.080 3.035 ( -3.139 3.111 -4.014) 5.970 3.292 ( 1.086 -6.114 -7.714) 9.903 3.414 ( 3.845 -1.836 -1.831) 4.637 3.435 ( 2.678 2.238 -10.334) 10.907 3.614 ( -5.938 5.724 9.156) 12.323 3.781 ( -2.945 4.456 -5.057) 7.356 3.806 ( 0.844 -1.355 11.587) 11.697 3.912 ( 2.056 -3.540 1.781) 4.465 4.103 ( -1.945 4.037 1.404) 4.696 4.172 ( -2.133 -2.604 0.305) 3.379 4.272 ( -2.836 4.606 -0.344) 5.420 4.318 ( -4.123 2.986 -3.252) 6.041 4.421 ( -0.916 7.887 -0.045) 7.940 4.507 ( -3.167 5.448 -3.869) 7.394 4.593 ( -1.333 2.112 5.299) 5.858 4.621 ( -1.953 1.645 -0.330) 2.575 4.702 ( 9.278 -0.326 6.078) 11.097 4.765 ( 2.828 2.290 1.474) 3.926 4.833 ( 0.521 -3.388 3.579) 4.956 4.901 ( -1.266 -3.075 -1.285) 3.565 4.962 ( 3.601 -3.644 -2.013) 5.504 5.021 ( 4.774 -1.326 -1.756) 5.256 5.107 ( -3.289 6.925 0.391) 7.677 5.172 ( -5.008 3.549 -6.091) 8.647 5.199 ( -5.600 -4.210 2.543) 7.453 5.239 ( -4.109 -2.314 -2.321) 5.256 5.378 ( -6.494 -1.621 4.358) 7.988 5.451 ( -4.222 -1.638 -2.009) 4.954 5.628 ( -1.989 6.606 1.857) 7.145 5.671 ( -0.137 1.172 -0.226) 1.202 5.720 ( -3.248 -4.411 4.365) 7.004 5.804 ( -2.550 -5.808 0.993) 6.420 5.819 ( 2.855 -5.626 -0.104) 6.310 5.838 ( 2.987 0.797 -2.458) 3.950 5.911 ( 4.135 -3.766 4.482) 7.167 5.950 ( 5.500 -3.765 0.478) 6.683 6.064 ( 3.581 -2.207 5.384) 6.832 6.110 ( 2.737 -0.307 5.699) 6.329 6.144 ( 8.662 -1.216 -0.042) 8.747 6.204 ( 2.866 -2.513 7.574) 8.479 6.239 ( 3.908 -2.375 -1.664) 4.867 6.327 ( 6.146 -0.809 8.205) 10.283 6.397 ( 2.160 -2.249 -5.335) 6.180 6.426 ( 7.527 -1.829 6.112) 9.867 6.521 ( 7.218 -1.203 -6.309) 9.661 6.549 ( 8.553 -2.168 -3.984) 9.681 6.759 ( 5.578 1.524 4.528) 7.344 6.854 ( 5.647 3.719 1.757) 6.987 6.902 ( 9.600 5.034 -5.340) 12.084 6.917 ( 7.142 -1.548 0.340) 7.316 7.017 ( 2.586 -10.447 9.148) 14.125 7.204 ( 1.364 -7.172 -4.392) 8.520 7.230 ( 4.939 8.131 7.556) 12.150 7.380 ( 2.870 3.181 -3.397) 5.467 7.438 ( -1.144 -0.577 13.744) 13.804 7.579 ( 0.990 -3.595 8.605) 9.378 7.633 ( -3.992 2.145 8.215) 9.382 7.675 ( -2.952 0.899 4.873) 5.767 7.706 ( 0.610 -2.300 0.937) 2.557 7.820 ( 0.445 -1.092 5.189) 5.322 7.859 ( 1.792 2.866 0.372) 3.400 7.897 ( 2.150 0.907 0.675) 2.429 7.985 ( 4.499 4.668 -1.514) 6.658 8.075 ( 4.292 1.185 -10.997) 11.864 8.237 ( -10.102 6.290 -3.336) 12.359 8.446 ( -7.733 -3.815 -13.001) 15.601 8.601 ( -14.303 3.745 5.265) 15.695 8.713 ( -10.503 2.478 -2.737) 11.133 9.047 ( -4.069 -9.118 2.243) 10.233 9.059 ( -5.448 -7.141 0.867) 9.023 9.203 ( -3.731 0.849 -3.760) 5.364 9.254 ( -2.572 1.504 -9.134) 9.608 9.464 ( -7.631 -3.448 -2.384) 8.707 9.520 ( -7.871 -5.733 -8.002) 12.603 9.731 ( -3.350 10.548 2.889) 11.438 9.820 ( -3.600 13.169 -4.752) 14.455 10.013 ( -1.086 -2.183 3.448) 4.223 10.070 ( -2.435 -1.575 -2.330) 3.720 10.255 ( 0.307 -4.334 -0.494) 4.373 10.285 ( -2.261 1.175 -1.348) 2.883 10.330 ( 0.676 -0.369 -3.185) 3.277 10.367 ( -1.534 1.612 -4.384) 4.916 10.591 ( 7.656 10.773 -2.031) 13.371 10.624 ( 7.475 10.153 -4.582) 13.415 10.822 ( -0.812 -0.618 -0.076) 1.024 10.848 ( -1.792 -3.492 -2.163) 4.481 11.107 ( -2.657 7.018 2.173) 7.812 11.161 ( -3.820 5.606 -2.927) 7.388 11.503 ( 8.873 -14.945 4.682) 18.000 11.610 ( 6.148 -15.437 -5.592) 17.532 12.261 ( 8.347 -2.075 2.868) 9.066 12.315 ( 5.994 -3.868 -2.133) 7.446 12.721 ( 1.642 -10.719 3.201) 11.307 12.756 ( 2.155 -12.171 -0.088) 12.361 13.532 ( -4.149 16.109 -0.250) 16.637 13.547 ( -3.479 18.915 -1.625) 19.301 13.812 ( 1.508 3.844 2.379) 4.766 13.852 ( 1.194 1.596 -1.117) 2.285 14.008 ( 6.103 8.527 4.188) 11.292 14.133 ( 4.712 2.308 -6.761) 8.558 14.464 ( -4.357 -13.420 6.101) 15.372 14.543 ( -4.084 -15.785 -1.083) 16.340 14.810 ( -3.178 13.591 3.497) 14.389 14.860 ( -2.572 10.591 -1.199) 10.965 15.234 ( -4.673 4.432 2.493) 6.907 15.275 ( -4.414 2.626 -1.314) 5.301 15.520 ( -0.114 -6.391 3.068) 7.091 15.553 ( -0.050 -8.007 -0.012) 8.007 15.653 ( -0.436 -8.200 3.770) 9.036 15.733 ( -2.116 -10.021 -3.915) 10.965 16.569 ( -0.758 13.461 2.448) 13.703 16.612 ( -1.818 12.414 -1.499) 12.636 16.995 ( 3.188 -6.101 1.871) 7.134 17.014 ( 3.284 -5.986 0.043) 6.828 19.621 ( -0.007 1.345 3.715) 3.951 19.675 ( -1.666 0.408 -0.101) 1.718 19.738 ( 0.995 -2.151 -1.644) 2.884 19.746 ( 0.393 -3.866 -1.579) 4.195 25.468 ( -1.758 2.871 1.731) 3.786 25.530 ( -3.148 2.742 -4.276) 5.976 25.606 ( 1.701 -2.409 2.709) 4.004 25.667 ( 0.506 -2.494 -3.189) 4.080 27.360 ( -0.182 0.180 2.212) 2.226 27.390 ( 2.722 0.454 -0.053) 2.761 27.416 ( 1.654 -1.608 -0.896) 2.475 27.433 ( 2.063 -0.875 -1.996) 3.001 27.563 ( -0.982 0.187 4.447) 4.558 27.589 ( 0.244 0.095 2.865) 2.877 27.633 ( -1.015 0.711 -0.719) 1.433 27.650 ( -0.158 0.959 -0.839) 1.284 27.887 ( 2.623 -1.086 3.068) 4.180 27.900 ( -0.529 1.369 2.055) 2.526 27.949 ( -1.860 -2.045 -1.322) 3.064 27.980 ( 1.693 -0.359 -1.511) 2.297 28.078 ( 0.546 4.600 0.514) 4.661 28.130 ( 1.299 2.481 -4.859) 5.608 28.281 ( 2.007 -5.053 1.081) 5.543 28.328 ( 2.462 -5.143 -3.137) 6.508 28.481 ( 0.278 4.289 0.580) 4.337 28.523 ( 0.091 3.101 -3.179) 4.443 28.643 ( 3.895 -0.380 1.543) 4.207 28.699 ( 2.950 -2.109 -3.629) 5.131 30.879 ( -3.479 7.532 5.232) 9.808 30.929 ( -4.215 6.463 0.201) 7.718 31.230 ( -3.083 -6.349 1.836) 7.293 31.242 ( -3.038 -6.961 0.772) 7.634 ======================= Grid point 107 (42/45) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.142 ( 2.268 1.526 2.914) 3.995 2.227 ( 3.095 -2.086 2.855) 4.699 2.327 ( -12.383 0.350 -13.711) 18.479 2.367 ( -7.820 -1.947 -9.297) 12.304 2.506 ( 1.943 -1.095 4.777) 5.273 2.553 ( 0.351 -2.060 3.792) 4.330 2.618 ( -6.880 -2.374 -3.515) 8.082 2.650 ( -7.020 -2.775 -4.225) 8.651 2.940 ( 1.736 6.430 -0.484) 6.678 2.978 ( -1.877 4.330 -3.363) 5.795 3.126 ( 8.614 2.482 9.383) 12.977 3.298 ( -3.656 -7.373 -1.217) 8.319 3.453 ( -0.740 4.475 2.307) 5.089 3.480 ( -1.667 4.490 -1.035) 4.899 3.531 ( 4.371 0.796 -5.011) 6.697 3.658 ( -6.761 2.576 -8.185) 10.924 3.833 ( 2.105 5.031 4.430) 7.026 3.902 ( -3.342 3.713 -0.942) 5.084 4.108 ( -0.623 2.187 0.059) 2.274 4.128 ( -1.383 1.903 -1.317) 2.696 4.218 ( 2.430 2.004 1.516) 3.496 4.279 ( 0.519 -0.880 -3.420) 3.569 4.353 ( -5.588 3.111 0.956) 6.467 4.388 ( -5.401 3.171 -2.345) 6.688 4.617 ( 4.996 5.584 1.713) 7.686 4.662 ( 3.232 4.509 -1.896) 5.862 4.797 ( 1.965 -1.835 2.712) 3.819 4.822 ( 0.521 -2.032 1.716) 2.710 4.864 ( 1.880 -4.765 4.081) 6.550 4.935 ( -2.996 -2.039 1.772) 4.034 4.952 ( -5.935 -4.375 -1.388) 7.502 4.973 ( -6.967 -1.313 0.612) 7.117 5.017 ( 3.231 -1.267 2.691) 4.392 5.093 ( -2.884 2.759 -2.737) 4.840 5.194 ( 2.483 -2.140 1.069) 3.448 5.229 ( 3.947 -5.724 -1.912) 7.211 5.338 ( 2.982 1.857 7.451) 8.238 5.446 ( -1.369 1.408 0.273) 1.982 5.585 ( 0.165 10.213 -1.610) 10.341 5.623 ( -1.287 10.964 -2.983) 11.436 5.680 ( -1.777 -4.217 3.607) 5.826 5.709 ( -4.142 -8.517 1.549) 9.597 5.884 ( 3.725 -2.385 2.325) 4.996 5.942 ( 3.750 -5.398 -0.709) 6.611 5.947 ( -1.195 -4.440 4.914) 6.729 5.995 ( -1.030 -2.978 1.230) 3.382 6.129 ( 1.011 -2.514 0.250) 2.721 6.147 ( -0.582 -3.965 -0.807) 4.088 6.235 ( 4.454 -3.337 4.707) 7.290 6.273 ( 1.905 -0.311 -0.410) 1.973 6.341 ( 4.708 -2.862 5.404) 7.717 6.407 ( -1.234 -4.067 1.088) 4.387 6.557 ( 11.908 -2.648 6.463) 13.806 6.672 ( 12.389 -5.543 0.087) 13.572 6.692 ( 6.593 -1.411 -0.220) 6.746 6.729 ( 3.333 -4.704 -1.526) 5.963 6.854 ( 4.059 3.468 3.766) 6.533 6.891 ( -0.524 4.130 3.649) 5.536 6.950 ( -1.654 -1.012 5.588) 5.914 7.019 ( -5.816 4.022 1.549) 7.239 7.138 ( 7.317 -4.089 13.617) 15.990 7.270 ( -2.500 -3.412 11.480) 12.235 7.297 ( 4.938 0.112 8.489) 9.821 7.382 ( -2.124 -2.514 4.307) 5.421 7.512 ( 5.867 1.915 -5.013) 7.951 7.565 ( 4.826 5.833 4.052) 8.587 7.588 ( -3.775 3.554 5.172) 7.323 7.681 ( 7.754 1.208 7.669) 10.972 7.796 ( 4.280 -1.642 10.845) 11.774 7.843 ( -7.831 1.531 -1.614) 8.141 7.864 ( 1.136 1.851 4.125) 4.662 7.969 ( 3.549 0.907 -2.900) 4.672 8.022 ( 3.289 5.189 -3.598) 7.119 8.035 ( -4.360 4.352 -4.512) 7.636 8.145 ( -5.275 -0.951 -6.580) 8.487 8.279 ( -10.355 -4.795 -16.993) 20.469 8.302 ( -0.682 9.819 -1.681) 9.985 8.454 ( -10.943 7.383 -7.951) 15.410 8.911 ( -4.835 -13.488 1.520) 14.409 8.940 ( -5.696 -13.123 -1.281) 14.363 9.156 ( 0.196 2.305 -3.240) 3.981 9.201 ( -2.575 2.796 -7.154) 8.101 9.317 ( -3.180 -5.440 -4.170) 7.556 9.361 ( -5.798 -5.161 -8.109) 11.225 9.717 ( 1.209 10.778 0.849) 10.879 9.760 ( -2.461 12.659 -2.553) 13.146 10.002 ( 0.265 -4.008 -1.269) 4.212 10.026 ( -1.849 -2.980 -3.585) 5.015 10.199 ( -0.269 -2.598 1.809) 3.177 10.252 ( -3.960 -5.016 1.414) 6.546 10.298 ( 1.919 -2.738 -6.047) 6.910 10.355 ( -2.436 -4.402 -7.826) 9.304 10.718 ( 4.009 12.765 0.297) 13.383 10.744 ( 2.619 12.733 -2.024) 13.156 10.848 ( 0.352 6.176 0.173) 6.189 10.865 ( 0.361 6.049 -1.455) 6.232 11.086 ( 1.349 9.085 0.986) 9.238 11.104 ( -0.552 8.071 -0.803) 8.130 11.618 ( 2.573 -15.120 1.206) 15.385 11.654 ( -0.828 -14.748 -2.205) 14.935 12.443 ( 6.387 -4.075 1.989) 7.833 12.464 ( 4.744 -4.020 0.050) 6.218 12.766 ( 2.236 -15.765 2.742) 16.157 12.792 ( 0.423 -16.318 0.242) 16.325 13.457 ( -1.780 15.151 -0.601) 15.267 13.472 ( -2.765 16.580 -1.944) 16.921 13.849 ( 1.681 3.039 2.277) 4.153 13.869 ( 0.036 2.474 0.436) 2.512 14.143 ( 5.437 4.241 3.082) 7.553 14.209 ( 0.392 0.738 -2.230) 2.382 14.391 ( -0.635 -12.544 2.148) 12.743 14.444 ( -4.363 -13.831 -2.038) 14.645 14.759 ( -0.528 15.666 2.728) 15.911 14.793 ( -3.004 14.356 -0.583) 14.679 15.149 ( -1.875 8.344 1.775) 8.734 15.177 ( -3.877 7.114 -0.947) 8.157 15.517 ( 0.264 -4.217 2.646) 4.985 15.536 ( -1.230 -3.795 0.944) 4.100 15.659 ( 0.919 -17.468 1.580) 17.564 15.688 ( -1.841 -16.847 -1.206) 16.990 16.565 ( 0.338 15.925 1.223) 15.976 16.580 ( -1.100 15.682 -0.225) 15.722 17.056 ( 1.986 -7.355 1.266) 7.723 17.066 ( 1.127 -7.315 0.323) 7.409 19.625 ( 0.487 1.552 2.468) 2.956 19.643 ( -1.235 1.284 1.050) 2.068 19.753 ( 0.372 -3.320 -1.377) 3.613 19.754 ( 0.218 -3.678 -1.659) 4.040 25.446 ( -0.077 4.015 -0.001) 4.016 25.469 ( -2.184 4.041 -2.202) 5.094 25.641 ( 1.415 -3.987 0.935) 4.332 25.664 ( -0.730 -3.977 -1.298) 4.247 27.389 ( 2.859 1.447 3.276) 4.583 27.447 ( 0.339 1.262 -1.087) 1.699 27.469 ( 3.322 -0.950 1.263) 3.679 27.497 ( 2.403 0.986 -0.487) 2.643 27.519 ( 0.057 -1.168 1.831) 2.172 27.555 ( -2.452 -0.100 2.336) 3.388 27.578 ( -3.362 0.449 -2.411) 4.162 27.613 ( -3.368 0.423 -2.221) 4.057 27.907 ( 0.920 -0.155 2.173) 2.365 27.924 ( -0.567 0.047 0.263) 0.627 27.973 ( 4.271 -2.230 3.063) 5.710 28.033 ( 0.496 -3.425 -0.036) 3.461 28.081 ( 1.254 5.367 -1.042) 5.609 28.130 ( -1.401 3.217 -4.172) 5.451 28.328 ( 1.978 -5.697 -0.461) 6.049 28.355 ( -0.198 -5.164 -2.852) 5.903 28.504 ( 1.455 6.249 -0.153) 6.418 28.523 ( -0.232 6.188 -1.936) 6.488 28.733 ( 3.440 -3.392 0.202) 4.836 28.756 ( 1.385 -3.782 -1.979) 4.487 30.813 ( -1.633 7.874 3.864) 8.922 30.835 ( -3.504 7.437 1.670) 8.389 31.170 ( -1.681 -6.781 1.740) 7.200 31.177 ( -2.231 -6.850 1.038) 7.279 ======================= Grid point 110 (43/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 0.000 -2.555 15.133) 15.348 2.337 ( 0.000 2.555 15.133) 15.348 2.525 ( 0.000 -1.315 13.372) 13.436 2.525 ( 0.000 1.315 13.372) 13.436 2.697 ( 0.000 -2.845 -13.515) 13.811 2.697 ( 0.000 2.845 -13.515) 13.811 2.727 ( 0.000 -3.801 1.360) 4.037 2.727 ( 0.000 3.801 1.360) 4.037 3.099 ( 0.000 -4.094 -2.871) 5.000 3.099 ( 0.000 4.094 -2.871) 5.000 3.149 ( 0.000 -3.908 -8.858) 9.682 3.149 ( 0.000 3.908 -8.858) 9.682 3.373 ( 0.000 -3.589 0.036) 3.589 3.373 ( 0.000 3.589 0.036) 3.589 3.746 ( 0.000 -1.383 9.467) 9.568 3.746 ( 0.000 1.383 9.467) 9.568 3.837 ( 0.000 -5.683 -1.765) 5.951 3.837 ( 0.000 5.683 -1.765) 5.951 4.157 ( 0.000 -0.033 -3.548) 3.548 4.157 ( 0.000 0.033 -3.548) 3.548 4.383 ( 0.000 -0.520 5.258) 5.284 4.383 ( 0.000 0.520 5.258) 5.284 4.562 ( 0.000 -1.639 0.933) 1.886 4.562 ( 0.000 1.639 0.933) 1.886 4.633 ( 0.000 -7.790 -0.084) 7.790 4.633 ( 0.000 7.790 -0.084) 7.790 4.733 ( 0.000 -4.125 5.666) 7.008 4.733 ( 0.000 4.125 5.666) 7.008 4.815 ( 0.000 -2.735 -2.022) 3.402 4.815 ( 0.000 2.735 -2.022) 3.402 4.933 ( 0.000 -7.635 -9.227) 11.976 4.933 ( 0.000 7.635 -9.227) 11.976 5.285 ( 0.000 -2.382 2.526) 3.473 5.285 ( 0.000 2.382 2.526) 3.473 5.321 ( 0.000 -4.896 7.021) 8.560 5.321 ( 0.000 4.896 7.021) 8.560 5.430 ( 0.000 -7.469 -2.914) 8.017 5.430 ( 0.000 7.469 -2.914) 8.017 5.643 ( 0.000 -1.839 2.801) 3.351 5.643 ( 0.000 1.839 2.801) 3.351 5.698 ( 0.000 -6.559 4.816) 8.137 5.698 ( 0.000 6.559 4.816) 8.137 5.781 ( 0.000 -2.840 -0.736) 2.933 5.781 ( 0.000 2.840 -0.736) 2.933 5.830 ( 0.000 -0.547 0.522) 0.757 5.830 ( 0.000 0.547 0.522) 0.757 5.985 ( 0.000 -0.183 -4.649) 4.653 5.985 ( 0.000 0.183 -4.649) 4.653 6.128 ( 0.000 -3.191 7.766) 8.396 6.128 ( 0.000 3.191 7.766) 8.396 6.177 ( 0.000 -8.687 -0.491) 8.701 6.177 ( 0.000 8.687 -0.491) 8.701 6.355 ( 0.000 -3.683 0.522) 3.720 6.355 ( 0.000 3.683 0.522) 3.720 6.449 ( 0.000 -2.335 -5.044) 5.558 6.449 ( 0.000 2.335 -5.044) 5.558 6.776 ( 0.000 -6.677 4.637) 8.129 6.776 ( 0.000 6.677 4.637) 8.129 6.809 ( 0.000 -0.653 0.136) 0.667 6.809 ( 0.000 0.653 0.136) 0.667 6.938 ( 0.000 -11.891 -7.894) 14.273 6.938 ( 0.000 11.891 -7.894) 14.273 7.347 ( 0.000 -5.182 4.837) 7.088 7.347 ( 0.000 5.182 4.837) 7.088 7.484 ( 0.000 -3.741 10.073) 10.745 7.484 ( 0.000 3.741 10.073) 10.745 7.695 ( 0.000 -1.302 0.552) 1.414 7.695 ( 0.000 1.302 0.552) 1.414 7.765 ( 0.000 -1.844 10.221) 10.386 7.765 ( 0.000 1.844 10.221) 10.386 7.873 ( 0.000 -1.587 1.671) 2.305 7.873 ( 0.000 1.587 1.671) 2.305 8.015 ( 0.000 -4.335 -6.178) 7.547 8.015 ( 0.000 4.335 -6.178) 7.547 8.458 ( 0.000 -5.111 -5.197) 7.289 8.458 ( 0.000 5.111 -5.197) 7.289 8.782 ( 0.000 -1.762 1.564) 2.356 8.782 ( 0.000 1.762 1.564) 2.356 9.071 ( 0.000 -0.390 -0.706) 0.807 9.071 ( 0.000 0.390 -0.706) 0.807 9.268 ( 0.000 -1.672 -3.924) 4.265 9.268 ( 0.000 1.672 -3.924) 4.265 9.552 ( 0.000 -0.886 -8.055) 8.103 9.552 ( 0.000 0.886 -8.055) 8.103 9.984 ( 0.000 -2.251 3.715) 4.344 9.984 ( 0.000 2.251 3.715) 4.344 10.130 ( 0.000 -0.824 -0.097) 0.829 10.130 ( 0.000 0.824 -0.097) 0.829 10.172 ( 0.000 -0.165 -0.796) 0.812 10.172 ( 0.000 0.165 -0.796) 0.812 10.455 ( 0.000 -5.785 -0.191) 5.788 10.455 ( 0.000 5.785 -0.191) 5.788 10.592 ( 0.000 -1.747 -7.706) 7.901 10.592 ( 0.000 1.747 -7.706) 7.901 10.820 ( 0.000 -0.776 -3.037) 3.135 10.820 ( 0.000 0.776 -3.037) 3.135 11.059 ( 0.000 -1.829 0.845) 2.015 11.059 ( 0.000 1.829 0.845) 2.015 11.354 ( 0.000 -4.550 -0.691) 4.602 11.354 ( 0.000 4.550 -0.691) 4.602 12.205 ( 0.000 -2.731 0.288) 2.747 12.205 ( 0.000 2.731 0.288) 2.747 12.601 ( 0.000 -0.210 2.081) 2.091 12.601 ( 0.000 0.210 2.081) 2.091 13.815 ( 0.000 -0.180 -1.085) 1.100 13.815 ( 0.000 0.180 -1.085) 1.100 13.920 ( 0.000 -2.555 -0.066) 2.556 13.920 ( 0.000 2.555 -0.066) 2.556 14.042 ( 0.000 -6.043 -1.217) 6.165 14.042 ( 0.000 6.043 -1.217) 6.165 14.309 ( 0.000 -3.159 1.231) 3.390 14.309 ( 0.000 3.159 1.231) 3.390 15.148 ( 0.000 -0.617 1.530) 1.650 15.148 ( 0.000 0.617 1.530) 1.650 15.237 ( 0.000 -0.244 2.162) 2.176 15.237 ( 0.000 0.244 2.162) 2.176 15.325 ( 0.000 -1.049 0.843) 1.346 15.325 ( 0.000 1.049 0.843) 1.346 15.717 ( 0.000 -2.070 -0.809) 2.223 15.717 ( 0.000 2.070 -0.809) 2.223 16.781 ( 0.000 -4.381 1.133) 4.525 16.781 ( 0.000 4.381 1.133) 4.525 16.851 ( 0.000 -3.155 0.599) 3.212 16.851 ( 0.000 3.155 0.599) 3.212 19.665 ( 0.000 -3.416 1.338) 3.668 19.665 ( 0.000 3.416 1.338) 3.668 19.701 ( 0.000 -0.240 -1.051) 1.078 19.701 ( 0.000 0.240 -1.051) 1.078 25.536 ( 0.000 -2.033 2.281) 3.056 25.536 ( 0.000 2.033 2.281) 3.056 25.624 ( 0.000 -1.847 -4.032) 4.435 25.624 ( 0.000 1.847 -4.032) 4.435 27.370 ( 0.000 -0.435 -0.450) 0.626 27.370 ( 0.000 0.435 -0.450) 0.626 27.378 ( 0.000 -1.272 -0.193) 1.287 27.378 ( 0.000 1.272 -0.193) 1.287 27.566 ( 0.000 -0.124 4.311) 4.313 27.566 ( 0.000 0.124 4.311) 4.313 27.652 ( 0.000 -0.432 -0.074) 0.438 27.652 ( 0.000 0.432 -0.074) 0.438 27.905 ( 0.000 -3.145 0.167) 3.150 27.905 ( 0.000 3.145 0.167) 3.150 27.955 ( 0.000 -2.517 -0.021) 2.517 27.955 ( 0.000 2.517 -0.021) 2.517 28.165 ( 0.000 -4.736 -0.035) 4.736 28.165 ( 0.000 4.736 -0.035) 4.736 28.182 ( 0.000 -4.375 -2.622) 5.101 28.182 ( 0.000 4.375 -2.622) 5.101 28.527 ( 0.000 -0.865 -0.992) 1.316 28.527 ( 0.000 0.865 -0.992) 1.316 28.634 ( 0.000 -1.885 -1.775) 2.589 28.634 ( 0.000 1.885 -1.775) 2.589 31.096 ( 0.000 -8.125 2.695) 8.560 31.096 ( 0.000 8.125 2.695) 8.560 31.129 ( 0.000 -6.188 1.345) 6.332 31.129 ( 0.000 6.188 1.345) 6.332 ======================= Grid point 112 (44/45) ======================= q-point: ( 0.20 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.255 ( -6.735 -0.239 13.618) 15.194 2.255 ( -6.735 0.239 13.618) 15.194 2.451 ( -3.620 -0.738 9.044) 9.769 2.451 ( -3.620 0.738 9.044) 9.769 2.625 ( -6.747 -1.291 -13.178) 14.861 2.625 ( -6.747 1.291 -13.178) 14.861 2.717 ( -2.556 -1.854 -4.239) 5.286 2.717 ( -2.556 1.854 -4.239) 5.286 3.053 ( -2.042 -2.917 0.822) 3.654 3.053 ( -2.042 2.917 0.822) 3.654 3.139 ( -0.625 -8.323 -5.119) 9.791 3.139 ( -0.625 8.323 -5.119) 9.791 3.425 ( 3.604 -2.327 -3.420) 5.486 3.425 ( 3.604 2.327 -3.420) 5.486 3.729 ( -3.617 -4.834 3.354) 6.906 3.729 ( -3.617 4.834 3.354) 6.906 3.877 ( 5.305 -2.603 4.469) 7.409 3.877 ( 5.305 2.603 4.469) 7.409 4.134 ( -2.109 -1.306 -0.306) 2.499 4.134 ( -2.109 1.306 -0.306) 2.499 4.341 ( -4.689 -1.869 -1.321) 5.217 4.341 ( -4.689 1.869 -1.321) 5.217 4.536 ( -2.901 -3.128 -4.522) 6.217 4.536 ( -2.901 3.128 -4.522) 6.217 4.678 ( 0.769 -3.595 8.556) 9.312 4.678 ( 0.769 3.595 8.556) 9.312 4.723 ( 3.256 -7.513 2.794) 8.651 4.723 ( 3.256 7.513 2.794) 8.651 4.826 ( 0.272 -2.719 -0.365) 2.757 4.826 ( 0.272 2.719 -0.365) 2.757 4.926 ( 0.919 -4.685 -7.941) 9.266 4.926 ( 0.919 4.685 -7.941) 9.266 5.167 ( -9.107 -0.864 3.410) 9.763 5.167 ( -9.107 0.864 3.410) 9.763 5.282 ( -4.435 -6.482 1.447) 7.986 5.282 ( -4.435 6.482 1.447) 7.986 5.370 ( -0.327 -8.089 0.437) 8.108 5.370 ( -0.327 8.089 0.437) 8.108 5.634 ( -2.897 -1.877 2.293) 4.144 5.634 ( -2.897 1.877 2.293) 4.144 5.735 ( 4.933 -3.139 0.062) 5.848 5.735 ( 4.933 3.139 0.062) 5.848 5.776 ( 1.123 -4.094 -0.355) 4.259 5.776 ( 1.123 4.094 -0.355) 4.260 5.914 ( 3.846 -2.262 3.499) 5.670 5.914 ( 3.846 2.262 3.499) 5.670 6.058 ( 1.703 -1.293 -0.241) 2.152 6.058 ( 1.703 1.293 -0.241) 2.152 6.159 ( 4.533 -0.908 8.363) 9.556 6.159 ( 4.533 0.908 8.363) 9.556 6.271 ( 7.019 -5.597 -1.148) 9.050 6.271 ( 7.019 5.597 -1.148) 9.050 6.398 ( 1.106 -2.286 -0.114) 2.542 6.398 ( 1.106 2.286 -0.114) 2.542 6.509 ( 8.595 -2.811 -3.394) 9.659 6.509 ( 8.595 2.811 -3.394) 9.659 6.824 ( 4.335 -5.086 6.035) 9.005 6.824 ( 4.335 5.086 6.035) 9.005 6.899 ( 6.459 -1.917 3.116) 7.423 6.899 ( 6.459 1.917 3.116) 7.423 7.047 ( 8.456 -7.962 -5.471) 12.839 7.047 ( 8.456 7.962 -5.471) 12.839 7.367 ( 0.466 -4.671 6.086) 7.686 7.367 ( 0.466 4.671 6.086) 7.686 7.475 ( 0.044 -4.854 3.926) 6.243 7.475 ( 0.044 4.854 3.926) 6.243 7.659 ( -0.777 -2.653 5.109) 5.809 7.659 ( -0.777 2.653 5.109) 5.809 7.767 ( 0.092 -3.576 10.652) 11.237 7.767 ( 0.092 3.576 10.652) 11.237 7.905 ( 2.058 -1.021 -0.334) 2.321 7.905 ( 2.058 1.021 -0.334) 2.321 8.065 ( 3.716 -2.910 -5.721) 7.417 8.065 ( 3.716 2.910 -5.721) 7.417 8.358 ( -8.577 -5.552 -9.684) 14.077 8.358 ( -8.577 5.552 -9.684) 14.077 8.689 ( -8.020 -4.880 0.842) 9.426 8.689 ( -8.020 4.880 0.842) 9.426 8.964 ( -9.563 -1.989 0.680) 9.791 8.964 ( -9.563 1.989 0.680) 9.791 9.232 ( -2.586 -2.493 -4.798) 5.993 9.232 ( -2.586 2.493 -4.798) 5.993 9.451 ( -8.182 -1.947 -6.708) 10.758 9.451 ( -8.182 1.947 -6.708) 10.758 9.923 ( -3.544 -7.845 4.051) 9.514 9.923 ( -3.544 7.845 4.051) 9.514 10.028 ( -3.261 -5.905 -4.930) 8.355 10.028 ( -3.261 5.905 -4.930) 8.355 10.234 ( -0.056 -2.124 -2.481) 3.266 10.234 ( -0.056 2.124 -2.481) 3.266 10.331 ( -7.166 -1.444 -0.006) 7.310 10.331 ( -7.166 1.444 -0.006) 7.310 10.758 ( 11.911 -1.941 -3.294) 12.510 10.758 ( 11.911 1.941 -3.294) 12.510 10.844 ( 2.600 -0.591 -1.828) 3.233 10.844 ( 2.600 0.591 -1.828) 3.233 11.229 ( 8.643 -5.525 1.317) 10.342 11.229 ( 8.643 5.525 1.317) 10.342 11.315 ( -1.923 -10.194 -2.216) 10.607 11.315 ( -1.923 10.194 -2.216) 10.607 12.265 ( 5.794 -1.899 0.601) 6.126 12.265 ( 5.794 1.899 0.601) 6.126 12.600 ( -0.317 -1.186 1.914) 2.274 12.600 ( -0.317 1.186 1.914) 2.274 13.777 ( -2.768 -3.875 -0.418) 4.781 13.777 ( -2.768 3.875 -0.418) 4.781 13.898 ( -2.668 -3.635 -0.905) 4.599 13.898 ( -2.668 3.635 -0.905) 4.599 14.082 ( 3.621 -4.537 -0.553) 5.831 14.082 ( 3.621 4.537 -0.553) 5.831 14.304 ( -0.551 -3.011 1.081) 3.247 14.304 ( -0.551 3.011 1.081) 3.247 15.134 ( -1.156 -3.246 1.511) 3.763 15.134 ( -1.156 3.246 1.511) 3.763 15.192 ( -3.267 -1.102 1.136) 3.630 15.192 ( -3.267 1.102 1.136) 3.630 15.342 ( 1.498 -1.968 1.554) 2.921 15.342 ( 1.498 1.968 1.554) 2.921 15.656 ( -5.176 -1.759 -0.310) 5.475 15.656 ( -5.176 1.759 -0.310) 5.475 16.803 ( 1.841 -5.209 1.131) 5.639 16.803 ( 1.841 5.209 1.131) 5.640 16.865 ( 0.910 -4.575 0.345) 4.677 16.865 ( 0.910 4.575 0.345) 4.677 19.668 ( 0.270 -3.553 1.169) 3.750 19.668 ( 0.270 3.553 1.169) 3.750 19.697 ( -0.383 -1.753 -0.821) 1.974 19.697 ( -0.383 1.753 -0.821) 1.974 25.535 ( 0.019 -3.573 1.646) 3.934 25.535 ( 0.019 3.573 1.646) 3.934 25.605 ( -1.567 -3.560 -3.267) 5.080 25.605 ( -1.567 3.560 -3.267) 5.080 27.379 ( 1.168 -1.745 0.972) 2.314 27.379 ( 1.168 1.745 0.972) 2.314 27.408 ( 2.746 -1.373 -1.117) 3.267 27.408 ( 2.746 1.373 -1.117) 3.267 27.579 ( -0.285 -1.191 4.569) 4.731 27.579 ( -0.285 1.191 4.569) 4.731 27.651 ( -0.479 -0.844 -1.462) 1.754 27.651 ( -0.479 0.844 -1.462) 1.754 27.895 ( -0.321 -1.670 2.018) 2.639 27.895 ( -0.321 1.670 2.018) 2.639 27.949 ( 0.344 -2.121 -2.312) 3.156 27.949 ( 0.344 2.121 -2.312) 3.156 28.175 ( 1.016 -5.478 1.009) 5.662 28.175 ( 1.016 5.478 1.009) 5.662 28.219 ( 2.096 -5.797 -3.142) 6.918 28.219 ( 2.096 5.797 -3.142) 6.918 28.548 ( 2.263 -1.662 -0.855) 2.935 28.548 ( 2.263 1.662 -0.855) 2.935 28.651 ( 1.336 -2.084 -1.598) 2.947 28.651 ( 1.336 2.084 -1.598) 2.947 31.057 ( -3.167 -8.437 2.849) 9.452 31.057 ( -3.167 8.437 2.849) 9.452 31.087 ( -3.471 -7.002 1.286) 7.920 31.087 ( -3.471 7.002 1.286) 7.920 ======================= Grid point 114 (45/45) ======================= q-point: ( 0.40 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.181 ( 2.136 -2.444 3.050) 4.454 2.181 ( 2.136 2.444 3.050) 4.454 2.337 ( -9.576 -0.945 -10.441) 14.199 2.337 ( -9.576 0.945 -10.441) 14.199 2.509 ( 0.463 -1.679 1.617) 2.377 2.509 ( 0.463 1.679 1.617) 2.377 2.604 ( -6.598 -1.194 -4.354) 7.995 2.604 ( -6.598 1.194 -4.354) 7.995 3.074 ( 3.063 -5.386 3.080) 6.919 3.074 ( 3.063 5.386 3.080) 6.919 3.126 ( -1.190 -8.941 -1.595) 9.160 3.126 ( -1.190 8.941 -1.595) 9.160 3.508 ( 4.490 -2.835 -2.889) 6.046 3.508 ( 4.490 2.835 -2.889) 6.046 3.621 ( -5.741 -5.121 0.853) 7.740 3.621 ( -5.741 5.121 0.853) 7.740 3.983 ( 3.518 -5.557 2.046) 6.888 3.983 ( 3.518 5.557 2.046) 6.888 4.068 ( -4.299 -4.790 -1.404) 6.588 4.068 ( -4.299 4.790 -1.404) 6.588 4.281 ( 2.487 -1.298 -1.571) 3.215 4.281 ( 2.487 1.298 -1.571) 3.215 4.415 ( -7.674 -1.288 -0.418) 7.793 4.415 ( -7.674 1.288 -0.418) 7.793 4.719 ( 5.459 -2.977 2.202) 6.596 4.719 ( 5.459 2.977 2.202) 6.596 4.801 ( 1.276 -1.526 2.119) 2.907 4.801 ( 1.276 1.526 2.119) 2.907 4.846 ( 0.090 -4.836 0.439) 4.856 4.846 ( 0.090 4.836 0.439) 4.856 4.897 ( -5.903 -4.101 -1.458) 7.334 4.897 ( -5.903 4.101 -1.458) 7.334 5.066 ( 2.777 -6.283 0.340) 6.878 5.066 ( 2.777 6.283 0.340) 6.878 5.164 ( -5.235 -2.303 -0.770) 5.771 5.164 ( -5.235 2.303 -0.770) 5.771 5.444 ( 5.477 -6.185 2.884) 8.750 5.444 ( 5.477 6.185 2.884) 8.750 5.558 ( -4.495 -3.628 3.123) 6.567 5.558 ( -4.495 3.628 3.123) 6.567 5.822 ( 3.634 -5.616 1.557) 6.868 5.822 ( 3.634 5.616 1.557) 6.868 5.850 ( 3.348 -6.712 -0.740) 7.537 5.850 ( 3.348 6.712 -0.740) 7.537 5.941 ( 0.051 -8.618 2.926) 9.102 5.941 ( 0.051 8.618 2.926) 9.102 6.008 ( -4.635 -5.797 -0.097) 7.423 6.008 ( -4.635 5.797 -0.097) 7.423 6.267 ( 4.328 -3.894 3.682) 6.889 6.267 ( 4.328 3.894 3.682) 6.889 6.329 ( -1.197 -3.989 -1.660) 4.483 6.329 ( -1.197 3.989 -1.660) 4.483 6.561 ( 11.514 -4.442 1.011) 12.383 6.561 ( 11.514 4.442 1.011) 12.383 6.682 ( 3.549 -0.715 -1.712) 4.005 6.682 ( 3.549 0.715 -1.712) 4.005 6.916 ( 3.492 -2.355 9.574) 10.460 6.916 ( 3.492 2.355 9.574) 10.460 6.980 ( -0.936 -4.597 5.782) 7.446 6.980 ( -0.936 4.597 5.782) 7.446 7.206 ( 5.647 -5.231 6.959) 10.377 7.206 ( 5.647 5.231 6.959) 10.377 7.303 ( -4.296 -3.265 6.764) 8.652 7.303 ( -4.296 3.265 6.764) 8.652 7.553 ( 6.511 -2.255 6.558) 9.513 7.553 ( 6.511 2.255 6.558) 9.513 7.705 ( -4.351 -5.784 13.378) 15.210 7.705 ( -4.351 5.784 13.378) 15.210 7.790 ( 9.799 -5.648 0.772) 11.337 7.790 ( 9.799 5.648 0.772) 11.337 7.944 ( 0.438 -2.761 -3.951) 4.840 7.944 ( 0.438 2.761 -3.951) 4.840 8.099 ( -1.617 -2.873 -7.206) 7.924 8.099 ( -1.617 2.873 -7.206) 7.924 8.164 ( -8.253 -6.803 -15.202) 18.588 8.164 ( -8.253 6.803 -15.202) 18.588 8.546 ( -0.227 -9.490 -1.502) 9.611 8.546 ( -0.227 9.490 -1.502) 9.611 8.713 ( -12.265 -5.660 -0.980) 13.544 8.713 ( -12.265 5.660 -0.980) 13.544 9.203 ( 0.860 -2.771 -5.008) 5.788 9.203 ( 0.860 2.771 -5.008) 5.788 9.282 ( -6.355 -2.688 -5.272) 8.684 9.282 ( -6.355 2.688 -5.272) 8.684 9.904 ( 1.676 -7.160 1.587) 7.523 9.904 ( 1.676 7.160 1.587) 7.523 9.966 ( -3.223 -6.201 -2.652) 7.474 9.966 ( -3.223 6.201 -2.652) 7.474 10.201 ( -0.871 -0.871 -2.976) 3.221 10.201 ( -0.871 0.871 -2.976) 3.221 10.229 ( -2.886 -4.052 -4.127) 6.464 10.229 ( -2.886 4.052 -4.127) 6.464 10.911 ( 3.808 -2.573 -0.612) 4.636 10.911 ( 3.808 2.573 -0.612) 4.636 10.950 ( 2.551 -1.439 -1.000) 3.095 10.950 ( 2.551 1.439 -1.000) 3.095 11.272 ( 2.969 -5.255 0.083) 6.036 11.272 ( 2.969 5.255 0.083) 6.036 11.348 ( -1.073 -7.183 -0.849) 7.312 11.348 ( -1.073 7.183 -0.849) 7.312 12.433 ( 8.451 -1.604 1.444) 8.722 12.433 ( 8.451 1.604 1.444) 8.722 12.566 ( -3.532 -1.702 1.782) 4.307 12.566 ( -3.532 1.702 1.782) 4.307 13.742 ( 0.480 -6.429 -0.669) 6.482 13.742 ( 0.480 6.429 -0.669) 6.482 13.808 ( -4.859 -6.546 -1.442) 8.279 13.808 ( -4.859 6.546 -1.442) 8.279 14.180 ( 5.025 -3.532 0.564) 6.168 14.180 ( 5.025 3.532 0.564) 6.168 14.271 ( -2.951 -3.288 0.977) 4.525 14.271 ( -2.951 3.288 0.977) 4.525 15.114 ( -0.249 -8.780 1.436) 8.900 15.114 ( -0.249 8.780 1.436) 8.900 15.132 ( -1.924 -7.393 0.730) 7.674 15.132 ( -1.924 7.393 0.730) 7.674 15.401 ( 4.319 -2.501 1.196) 5.132 15.401 ( 4.319 2.501 1.196) 5.132 15.523 ( -6.627 -1.525 0.419) 6.813 15.523 ( -6.627 1.525 0.419) 6.813 16.847 ( 1.936 -6.051 0.838) 6.409 16.847 ( 1.936 6.052 0.838) 6.409 16.873 ( -0.384 -5.900 0.375) 5.925 16.873 ( -0.384 5.900 0.375) 5.925 19.676 ( 0.465 -3.644 0.614) 3.725 19.676 ( 0.465 3.644 0.614) 3.725 19.687 ( -0.523 -3.089 -0.182) 3.138 19.687 ( -0.523 3.089 -0.182) 3.138 25.542 ( 0.754 -5.046 0.157) 5.104 25.542 ( 0.754 5.046 0.157) 5.104 25.568 ( -1.652 -5.066 -1.610) 5.567 25.568 ( -1.652 5.066 -1.610) 5.567 27.429 ( 3.362 -2.504 2.757) 5.018 27.429 ( 3.362 2.504 2.757) 5.018 27.480 ( 2.207 -1.931 -0.833) 3.048 27.480 ( 2.207 1.931 -0.833) 3.048 27.536 ( -1.469 -1.718 2.465) 3.344 27.536 ( -1.469 1.718 2.465) 3.344 27.603 ( -4.011 -1.408 -2.672) 5.021 27.603 ( -4.011 1.408 -2.672) 5.021 27.923 ( 2.472 -2.004 2.158) 3.845 27.923 ( 2.472 2.004 2.158) 3.845 27.959 ( -0.352 -3.271 -0.720) 3.367 27.959 ( -0.352 3.271 -0.720) 3.367 28.203 ( 1.665 -6.879 -0.483) 7.094 28.203 ( 1.665 6.879 -0.483) 7.094 28.235 ( -0.760 -6.626 -3.164) 7.382 28.235 ( -0.760 6.626 -3.164) 7.382 28.619 ( 3.623 -2.434 -0.654) 4.414 28.619 ( 3.623 2.434 -0.654) 4.414 28.667 ( -0.498 -2.519 -1.044) 2.772 28.667 ( -0.498 2.519 -1.044) 2.772 30.997 ( -1.563 -8.732 2.558) 9.232 30.997 ( -1.563 8.732 2.558) 9.232 31.011 ( -2.758 -8.221 1.686) 8.834 31.011 ( -2.758 8.221 1.686) 8.834 =================== 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 3/28080 10.0 993.748 1318.419 1000.071 0.000 0.000 -0.000 3/28080 20.0 231.777 230.476 180.473 0.000 0.000 -0.000 3/28080 30.0 77.887 70.201 59.920 0.000 0.000 -0.000 3/28080 40.0 36.762 31.960 29.463 0.000 0.000 0.000 3/28080 50.0 21.456 18.399 17.927 0.000 0.000 0.000 3/28080 60.0 14.371 12.259 12.416 0.000 0.000 0.000 3/28080 70.0 10.553 8.991 9.352 0.000 0.000 0.000 3/28080 80.0 8.256 7.040 7.458 0.000 0.000 0.000 3/28080 90.0 6.756 5.775 6.194 0.000 0.000 0.000 3/28080 100.0 5.712 4.902 5.298 0.000 0.000 0.000 3/28080 110.0 4.950 4.269 4.633 0.000 0.000 0.000 3/28080 120.0 4.371 3.792 4.123 0.000 0.000 0.000 3/28080 130.0 3.918 3.421 3.718 0.000 0.000 0.000 3/28080 140.0 3.554 3.125 3.390 0.000 0.000 0.000 3/28080 150.0 3.254 2.883 3.118 0.000 0.000 0.000 3/28080 160.0 3.004 2.681 2.890 0.000 0.000 0.000 3/28080 170.0 2.792 2.510 2.694 0.000 0.000 0.000 3/28080 180.0 2.609 2.363 2.525 0.000 0.000 0.000 3/28080 190.0 2.451 2.235 2.378 0.000 0.000 0.000 3/28080 200.0 2.311 2.122 2.248 0.000 0.000 0.000 3/28080 210.0 2.188 2.021 2.132 0.000 0.000 0.000 3/28080 220.0 2.078 1.932 2.028 0.000 0.000 0.000 3/28080 230.0 1.979 1.850 1.935 0.000 0.000 0.000 3/28080 240.0 1.890 1.776 1.851 0.000 0.000 0.000 3/28080 250.0 1.809 1.709 1.774 0.000 0.000 0.000 3/28080 260.0 1.735 1.647 1.703 0.000 0.000 0.000 3/28080 270.0 1.667 1.590 1.639 0.000 0.000 0.000 3/28080 280.0 1.605 1.536 1.579 0.000 0.000 0.000 3/28080 290.0 1.547 1.487 1.524 0.000 0.000 0.000 3/28080 300.0 1.494 1.441 1.473 0.000 0.000 0.000 3/28080 310.0 1.444 1.398 1.425 0.000 0.000 0.000 3/28080 320.0 1.398 1.358 1.380 0.000 0.000 0.000 3/28080 330.0 1.355 1.320 1.339 0.000 0.000 0.000 3/28080 340.0 1.314 1.284 1.300 0.000 0.000 0.000 3/28080 350.0 1.276 1.250 1.263 0.000 0.000 0.000 3/28080 360.0 1.240 1.218 1.228 0.000 0.000 0.000 3/28080 370.0 1.206 1.187 1.195 0.000 0.000 0.000 3/28080 380.0 1.174 1.159 1.164 0.000 0.000 0.000 3/28080 390.0 1.144 1.131 1.135 0.000 0.000 0.000 3/28080 400.0 1.116 1.105 1.107 0.000 0.000 0.000 3/28080 410.0 1.088 1.080 1.081 0.000 0.000 0.000 3/28080 420.0 1.063 1.056 1.055 0.000 0.000 0.000 3/28080 430.0 1.038 1.034 1.031 0.000 0.000 0.000 3/28080 440.0 1.015 1.012 1.008 0.000 0.000 0.000 3/28080 450.0 0.992 0.991 0.987 0.000 0.000 0.000 3/28080 460.0 0.971 0.971 0.966 0.000 0.000 0.000 3/28080 470.0 0.950 0.952 0.946 0.000 0.000 0.000 3/28080 480.0 0.931 0.933 0.926 0.000 0.000 0.000 3/28080 490.0 0.912 0.915 0.908 0.000 0.000 0.000 3/28080 500.0 0.894 0.898 0.890 0.000 0.000 0.000 3/28080 510.0 0.876 0.882 0.873 0.000 0.000 0.000 3/28080 520.0 0.860 0.866 0.857 0.000 0.000 0.000 3/28080 530.0 0.844 0.851 0.841 0.000 0.000 0.000 3/28080 540.0 0.828 0.836 0.826 0.000 0.000 0.000 3/28080 550.0 0.813 0.822 0.811 0.000 0.000 0.000 3/28080 560.0 0.799 0.808 0.797 0.000 0.000 0.000 3/28080 570.0 0.785 0.795 0.783 0.000 0.000 0.000 3/28080 580.0 0.772 0.782 0.770 0.000 0.000 0.000 3/28080 590.0 0.759 0.769 0.757 0.000 0.000 0.000 3/28080 600.0 0.746 0.757 0.745 0.000 0.000 0.000 3/28080 610.0 0.734 0.745 0.733 0.000 0.000 0.000 3/28080 620.0 0.723 0.734 0.722 0.000 0.000 0.000 3/28080 630.0 0.711 0.723 0.711 0.000 0.000 0.000 3/28080 640.0 0.700 0.712 0.700 0.000 0.000 0.000 3/28080 650.0 0.690 0.702 0.689 0.000 0.000 0.000 3/28080 660.0 0.679 0.692 0.679 0.000 0.000 0.000 3/28080 670.0 0.669 0.682 0.669 0.000 0.000 0.000 3/28080 680.0 0.660 0.672 0.659 0.000 0.000 0.000 3/28080 690.0 0.650 0.663 0.650 0.000 0.000 0.000 3/28080 700.0 0.641 0.654 0.641 0.000 0.000 0.000 3/28080 710.0 0.632 0.645 0.632 0.000 0.000 0.000 3/28080 720.0 0.624 0.637 0.624 0.000 0.000 0.000 3/28080 730.0 0.615 0.628 0.615 0.000 0.000 0.000 3/28080 740.0 0.607 0.620 0.607 0.000 0.000 0.000 3/28080 750.0 0.599 0.612 0.599 0.000 0.000 0.000 3/28080 760.0 0.591 0.605 0.591 0.000 0.000 0.000 3/28080 770.0 0.584 0.597 0.584 0.000 0.000 0.000 3/28080 780.0 0.576 0.590 0.577 0.000 0.000 0.000 3/28080 790.0 0.569 0.582 0.569 0.000 0.000 0.000 3/28080 800.0 0.562 0.575 0.562 0.000 0.000 0.000 3/28080 810.0 0.555 0.569 0.556 0.000 0.000 0.000 3/28080 820.0 0.548 0.562 0.549 0.000 0.000 0.000 3/28080 830.0 0.542 0.555 0.543 0.000 0.000 0.000 3/28080 840.0 0.536 0.549 0.536 0.000 0.000 0.000 3/28080 850.0 0.529 0.543 0.530 0.000 0.000 0.000 3/28080 860.0 0.523 0.537 0.524 0.000 0.000 0.000 3/28080 870.0 0.517 0.531 0.518 0.000 0.000 0.000 3/28080 880.0 0.511 0.525 0.512 0.000 0.000 0.000 3/28080 890.0 0.506 0.519 0.507 0.000 0.000 0.000 3/28080 900.0 0.500 0.514 0.501 0.000 0.000 0.000 3/28080 910.0 0.495 0.508 0.496 0.000 0.000 0.000 3/28080 920.0 0.489 0.503 0.490 0.000 0.000 0.000 3/28080 930.0 0.484 0.498 0.485 0.000 0.000 0.000 3/28080 940.0 0.479 0.492 0.480 0.000 0.000 0.000 3/28080 950.0 0.474 0.487 0.475 0.000 0.000 0.000 3/28080 960.0 0.469 0.483 0.470 0.000 0.000 0.000 3/28080 970.0 0.464 0.478 0.466 0.000 0.000 0.000 3/28080 980.0 0.460 0.473 0.461 0.000 0.000 0.000 3/28080 990.0 0.455 0.468 0.456 0.000 0.000 0.000 3/28080 1000.0 0.451 0.464 0.452 0.000 0.000 0.000 3/28080 Thermal conductivity related properties were written into "kappa-m549.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:52:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|