----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:42:49]------------------------- 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: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.977086244999999 5.205451760000000 4.036242874999999 b 2.977086244999999 -5.205451760000000 4.036242874999999 c 2.977086244999999 5.205451760000000 -4.036242874999999 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 *3 Mg 0.38767947657768 0.13767947657768 0.25000000000000 24.305 4 Mg 0.61232052342232 0.86232052342232 0.75000000000000 24.305 *5 B 0.24350318924039 0.88537255216700 0.35813063707339 10.811 *6 B 0.37716633739087 0.20843912111875 0.67535001951011 10.811 7 B 0.37716633739087 0.70181631788076 0.16872721627212 10.811 *8 B 0.75945842036599 0.67689930949251 0.08255911087347 10.811 *9 B 0.35800346948444 0.52402166152461 0.83398180795983 10.811 *10 B 0.59982579261248 0.50809380340350 0.78089540501120 10.811 11 B 0.59982579261248 0.81893038760128 0.09173198920898 10.811 12 B 0.90565980138096 0.32310069050749 0.58255911087347 10.811 13 B 0.02724191509361 0.88537255216700 0.14186936292661 10.811 14 B 0.19003985356479 0.52402166152461 0.66601819204017 10.811 15 B 0.03308910160865 0.20843912111875 0.33127278372788 10.811 16 B 0.03308910160865 0.70181631788076 0.82464998048989 10.811 17 B 0.77280160160770 0.18106961239872 0.28089540501120 10.811 18 B 0.77280160160770 0.49190619659650 0.59173198920898 10.811 19 B 0.22719839839230 0.50809380340350 0.40826801079102 10.811 20 B 0.22719839839230 0.81893038760128 0.71910459498880 10.811 21 B 0.96691089839135 0.29818368211924 0.17535001951011 10.811 22 B 0.96691089839135 0.79156087888125 0.66872721627212 10.811 23 B 0.80996014643521 0.47597833847539 0.33398180795983 10.811 24 B 0.97275808490639 0.11462744783300 0.85813063707339 10.811 25 B 0.09434019861904 0.67689930949251 0.41744088912653 10.811 26 B 0.40017420738752 0.18106961239872 0.90826801079102 10.811 27 B 0.40017420738752 0.49190619659650 0.21910459498880 10.811 28 B 0.64199653051556 0.47597833847539 0.16601819204017 10.811 29 B 0.24054157963401 0.32310069050749 0.91744088912653 10.811 30 B 0.62283366260913 0.29818368211924 0.83127278372788 10.811 31 B 0.62283366260913 0.79156087888125 0.32464998048989 10.811 32 B 0.75649681075961 0.11462744783300 0.64186936292661 10.811 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.954172489999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.410903520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.072485749999998 Atomic positions (fractional): *1 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 1 2 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 2 *3 Mg 0.50000000000000 0.75000000000000 0.63767947657768 24.305 > 3 4 Mg 0.50000000000000 0.25000000000000 0.36232052342232 24.305 > 4 5 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 1 6 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 2 7 Mg 0.00000000000000 0.25000000000000 0.13767947657768 24.305 > 3 8 Mg 0.00000000000000 0.75000000000000 0.86232052342232 24.305 > 4 *9 B 0.50000000000000 0.85813063707339 0.38537255216700 10.811 > 5 *10 B 0.75331140161900 0.92203861789111 0.45512771949976 10.811 > 6 11 B 0.24668859838100 0.92203861789111 0.45512771949976 10.811 > 7 *12 B 0.00000000000000 0.08255911087347 0.67689930949251 10.811 > 8 *13 B 0.00000000000000 0.83398180795983 0.52402166152461 10.811 > 9 *14 B 0.84458170790111 0.93631369711009 0.66351209550239 10.811 > 10 15 B 0.15541829209889 0.93631369711009 0.66351209550239 10.811 > 11 16 B 0.50000000000000 0.08255911087347 0.82310069050749 10.811 > 12 17 B 0.50000000000000 0.64186936292661 0.38537255216700 10.811 > 13 18 B 0.00000000000000 0.66601819204017 0.52402166152461 10.811 > 14 19 B 0.75331140161900 0.57796138210889 0.45512771949976 10.811 > 15 20 B 0.24668859838100 0.57796138210889 0.45512771949976 10.811 > 16 21 B 0.34458170790111 0.93631369711009 0.83648790449761 10.811 > 17 22 B 0.65541829209889 0.93631369711009 0.83648790449761 10.811 > 18 23 B 0.34458170790111 0.06368630288991 0.16351209550239 10.811 > 19 24 B 0.65541829209889 0.06368630288991 0.16351209550239 10.811 > 20 25 B 0.75331140161900 0.42203861789111 0.54487228050024 10.811 > 21 26 B 0.24668859838100 0.42203861789111 0.54487228050024 10.811 > 22 27 B 0.00000000000000 0.33398180795983 0.47597833847539 10.811 > 23 28 B 0.50000000000000 0.35813063707339 0.61462744783300 10.811 > 24 29 B 0.50000000000000 0.91744088912653 0.17689930949251 10.811 > 25 30 B 0.84458170790111 0.06368630288991 0.33648790449761 10.811 > 26 31 B 0.15541829209889 0.06368630288991 0.33648790449761 10.811 > 27 32 B 0.00000000000000 0.16601819204017 0.47597833847539 10.811 > 28 33 B 0.00000000000000 0.91744088912653 0.32310069050749 10.811 > 29 34 B 0.75331140161900 0.07796138210889 0.54487228050024 10.811 > 30 35 B 0.24668859838100 0.07796138210889 0.54487228050024 10.811 > 31 36 B 0.50000000000000 0.14186936292661 0.61462744783300 10.811 > 32 37 B 0.00000000000000 0.35813063707339 0.88537255216700 10.811 > 5 38 B 0.25331140161900 0.42203861789111 0.95512771949976 10.811 > 6 39 B 0.74668859838100 0.42203861789111 0.95512771949976 10.811 > 7 40 B 0.50000000000000 0.58255911087347 0.17689930949251 10.811 > 8 41 B 0.50000000000000 0.33398180795983 0.02402166152461 10.811 > 9 42 B 0.34458170790111 0.43631369711009 0.16351209550239 10.811 > 10 43 B 0.65541829209889 0.43631369711009 0.16351209550239 10.811 > 11 44 B 0.00000000000000 0.58255911087347 0.32310069050749 10.811 > 12 45 B 0.00000000000000 0.14186936292661 0.88537255216700 10.811 > 13 46 B 0.50000000000000 0.16601819204017 0.02402166152461 10.811 > 14 47 B 0.25331140161900 0.07796138210889 0.95512771949976 10.811 > 15 48 B 0.74668859838100 0.07796138210889 0.95512771949976 10.811 > 16 49 B 0.84458170790111 0.43631369711009 0.33648790449761 10.811 > 17 50 B 0.15541829209889 0.43631369711009 0.33648790449761 10.811 > 18 51 B 0.84458170790111 0.56368630288991 0.66351209550239 10.811 > 19 52 B 0.15541829209889 0.56368630288991 0.66351209550239 10.811 > 20 53 B 0.25331140161900 0.92203861789111 0.04487228050024 10.811 > 21 54 B 0.74668859838100 0.92203861789111 0.04487228050024 10.811 > 22 55 B 0.50000000000000 0.83398180795983 0.97597833847539 10.811 > 23 56 B 0.00000000000000 0.85813063707339 0.11462744783300 10.811 > 24 57 B 0.00000000000000 0.41744088912653 0.67689930949251 10.811 > 25 58 B 0.34458170790111 0.56368630288991 0.83648790449761 10.811 > 26 59 B 0.65541829209889 0.56368630288991 0.83648790449761 10.811 > 27 60 B 0.50000000000000 0.66601819204017 0.97597833847539 10.811 > 28 61 B 0.50000000000000 0.41744088912653 0.82310069050749 10.811 > 29 62 B 0.25331140161900 0.57796138210889 0.04487228050024 10.811 > 30 63 B 0.74668859838100 0.57796138210889 0.04487228050024 10.811 > 31 64 B 0.00000000000000 0.64186936292661 0.11462744783300 10.811 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.908344979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.410903520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.072485749999998 Atomic positions (fractional): *1 Mg 0.12500000000000 0.25000000000000 0.75000000000000 24.305 > 1 2 Mg 0.62500000000000 0.25000000000000 0.75000000000000 24.305 > 1 3 Mg 0.37500000000000 0.25000000000000 0.75000000000000 24.305 > 2 4 Mg 0.87500000000000 0.25000000000000 0.75000000000000 24.305 > 2 *5 Mg 0.25000000000000 0.75000000000000 0.63767947657768 24.305 > 3 6 Mg 0.75000000000000 0.75000000000000 0.63767947657768 24.305 > 3 7 Mg 0.25000000000000 0.25000000000000 0.36232052342232 24.305 > 4 8 Mg 0.75000000000000 0.25000000000000 0.36232052342232 24.305 > 4 9 Mg 0.37500000000000 0.75000000000000 0.25000000000000 24.305 > 1 10 Mg 0.87500000000000 0.75000000000000 0.25000000000000 24.305 > 1 11 Mg 0.12500000000000 0.75000000000000 0.25000000000000 24.305 > 2 12 Mg 0.62500000000000 0.75000000000000 0.25000000000000 24.305 > 2 13 Mg 0.00000000000000 0.25000000000000 0.13767947657768 24.305 > 3 14 Mg 0.50000000000000 0.25000000000000 0.13767947657768 24.305 > 3 15 Mg 0.00000000000000 0.75000000000000 0.86232052342232 24.305 > 4 16 Mg 0.50000000000000 0.75000000000000 0.86232052342232 24.305 > 4 *17 B 0.25000000000000 0.85813063707339 0.38537255216700 10.811 > 5 18 B 0.75000000000000 0.85813063707339 0.38537255216700 10.811 > 5 *19 B 0.37665570080950 0.92203861789111 0.45512771949976 10.811 > 6 20 B 0.87665570080950 0.92203861789111 0.45512771949976 10.811 > 6 21 B 0.12334429919050 0.92203861789111 0.45512771949976 10.811 > 7 22 B 0.62334429919050 0.92203861789111 0.45512771949976 10.811 > 7 *23 B 0.00000000000000 0.08255911087347 0.67689930949251 10.811 > 8 24 B 0.50000000000000 0.08255911087347 0.67689930949251 10.811 > 8 *25 B 0.00000000000000 0.83398180795983 0.52402166152461 10.811 > 9 26 B 0.50000000000000 0.83398180795983 0.52402166152461 10.811 > 9 *27 B 0.42229085395055 0.93631369711009 0.66351209550239 10.811 > 10 28 B 0.92229085395055 0.93631369711009 0.66351209550239 10.811 > 10 29 B 0.07770914604945 0.93631369711009 0.66351209550239 10.811 > 11 30 B 0.57770914604945 0.93631369711009 0.66351209550239 10.811 > 11 31 B 0.25000000000000 0.08255911087347 0.82310069050749 10.811 > 12 32 B 0.75000000000000 0.08255911087347 0.82310069050749 10.811 > 12 33 B 0.25000000000000 0.64186936292661 0.38537255216700 10.811 > 13 34 B 0.75000000000000 0.64186936292661 0.38537255216700 10.811 > 13 35 B 0.00000000000000 0.66601819204017 0.52402166152461 10.811 > 14 36 B 0.50000000000000 0.66601819204017 0.52402166152461 10.811 > 14 37 B 0.37665570080950 0.57796138210889 0.45512771949976 10.811 > 15 38 B 0.87665570080950 0.57796138210889 0.45512771949976 10.811 > 15 39 B 0.12334429919050 0.57796138210889 0.45512771949976 10.811 > 16 40 B 0.62334429919050 0.57796138210889 0.45512771949976 10.811 > 16 41 B 0.17229085395055 0.93631369711009 0.83648790449761 10.811 > 17 42 B 0.67229085395055 0.93631369711009 0.83648790449761 10.811 > 17 43 B 0.32770914604945 0.93631369711009 0.83648790449761 10.811 > 18 44 B 0.82770914604945 0.93631369711009 0.83648790449761 10.811 > 18 45 B 0.17229085395055 0.06368630288991 0.16351209550239 10.811 > 19 46 B 0.67229085395055 0.06368630288991 0.16351209550239 10.811 > 19 47 B 0.32770914604945 0.06368630288991 0.16351209550239 10.811 > 20 48 B 0.82770914604945 0.06368630288991 0.16351209550239 10.811 > 20 49 B 0.37665570080950 0.42203861789111 0.54487228050024 10.811 > 21 50 B 0.87665570080950 0.42203861789111 0.54487228050024 10.811 > 21 51 B 0.12334429919050 0.42203861789111 0.54487228050024 10.811 > 22 52 B 0.62334429919050 0.42203861789111 0.54487228050024 10.811 > 22 53 B 0.00000000000000 0.33398180795983 0.47597833847539 10.811 > 23 54 B 0.50000000000000 0.33398180795983 0.47597833847539 10.811 > 23 55 B 0.25000000000000 0.35813063707339 0.61462744783300 10.811 > 24 56 B 0.75000000000000 0.35813063707339 0.61462744783300 10.811 > 24 57 B 0.25000000000000 0.91744088912653 0.17689930949251 10.811 > 25 58 B 0.75000000000000 0.91744088912653 0.17689930949251 10.811 > 25 59 B 0.42229085395055 0.06368630288991 0.33648790449761 10.811 > 26 60 B 0.92229085395055 0.06368630288991 0.33648790449761 10.811 > 26 61 B 0.07770914604945 0.06368630288991 0.33648790449761 10.811 > 27 62 B 0.57770914604945 0.06368630288991 0.33648790449761 10.811 > 27 63 B 0.00000000000000 0.16601819204017 0.47597833847539 10.811 > 28 64 B 0.50000000000000 0.16601819204017 0.47597833847539 10.811 > 28 65 B 0.00000000000000 0.91744088912653 0.32310069050749 10.811 > 29 66 B 0.50000000000000 0.91744088912653 0.32310069050749 10.811 > 29 67 B 0.37665570080950 0.07796138210889 0.54487228050024 10.811 > 30 68 B 0.87665570080950 0.07796138210889 0.54487228050024 10.811 > 30 69 B 0.12334429919050 0.07796138210889 0.54487228050024 10.811 > 31 70 B 0.62334429919050 0.07796138210889 0.54487228050024 10.811 > 31 71 B 0.25000000000000 0.14186936292661 0.61462744783300 10.811 > 32 72 B 0.75000000000000 0.14186936292661 0.61462744783300 10.811 > 32 73 B 0.00000000000000 0.35813063707339 0.88537255216700 10.811 > 5 74 B 0.50000000000000 0.35813063707339 0.88537255216700 10.811 > 5 75 B 0.12665570080950 0.42203861789111 0.95512771949976 10.811 > 6 76 B 0.62665570080950 0.42203861789111 0.95512771949976 10.811 > 6 77 B 0.37334429919050 0.42203861789111 0.95512771949976 10.811 > 7 78 B 0.87334429919050 0.42203861789111 0.95512771949976 10.811 > 7 79 B 0.25000000000000 0.58255911087347 0.17689930949251 10.811 > 8 80 B 0.75000000000000 0.58255911087347 0.17689930949251 10.811 > 8 81 B 0.25000000000000 0.33398180795983 0.02402166152461 10.811 > 9 82 B 0.75000000000000 0.33398180795983 0.02402166152461 10.811 > 9 83 B 0.17229085395055 0.43631369711009 0.16351209550239 10.811 > 10 84 B 0.67229085395055 0.43631369711009 0.16351209550239 10.811 > 10 85 B 0.32770914604945 0.43631369711009 0.16351209550239 10.811 > 11 86 B 0.82770914604945 0.43631369711009 0.16351209550239 10.811 > 11 87 B 0.00000000000000 0.58255911087347 0.32310069050749 10.811 > 12 88 B 0.50000000000000 0.58255911087347 0.32310069050749 10.811 > 12 89 B 0.00000000000000 0.14186936292661 0.88537255216700 10.811 > 13 90 B 0.50000000000000 0.14186936292661 0.88537255216700 10.811 > 13 91 B 0.25000000000000 0.16601819204017 0.02402166152461 10.811 > 14 92 B 0.75000000000000 0.16601819204017 0.02402166152461 10.811 > 14 93 B 0.12665570080950 0.07796138210889 0.95512771949976 10.811 > 15 94 B 0.62665570080950 0.07796138210889 0.95512771949976 10.811 > 15 95 B 0.37334429919050 0.07796138210889 0.95512771949976 10.811 > 16 96 B 0.87334429919050 0.07796138210889 0.95512771949976 10.811 > 16 97 B 0.42229085395055 0.43631369711009 0.33648790449761 10.811 > 17 98 B 0.92229085395055 0.43631369711009 0.33648790449761 10.811 > 17 99 B 0.07770914604945 0.43631369711009 0.33648790449761 10.811 > 18 100 B 0.57770914604945 0.43631369711009 0.33648790449761 10.811 > 18 101 B 0.42229085395055 0.56368630288991 0.66351209550239 10.811 > 19 102 B 0.92229085395055 0.56368630288991 0.66351209550239 10.811 > 19 103 B 0.07770914604945 0.56368630288991 0.66351209550239 10.811 > 20 104 B 0.57770914604945 0.56368630288991 0.66351209550239 10.811 > 20 105 B 0.12665570080950 0.92203861789111 0.04487228050024 10.811 > 21 106 B 0.62665570080950 0.92203861789111 0.04487228050024 10.811 > 21 107 B 0.37334429919050 0.92203861789111 0.04487228050024 10.811 > 22 108 B 0.87334429919050 0.92203861789111 0.04487228050024 10.811 > 22 109 B 0.25000000000000 0.83398180795983 0.97597833847539 10.811 > 23 110 B 0.75000000000000 0.83398180795983 0.97597833847539 10.811 > 23 111 B 0.00000000000000 0.85813063707339 0.11462744783300 10.811 > 24 112 B 0.50000000000000 0.85813063707339 0.11462744783300 10.811 > 24 113 B 0.00000000000000 0.41744088912653 0.67689930949251 10.811 > 25 114 B 0.50000000000000 0.41744088912653 0.67689930949251 10.811 > 25 115 B 0.17229085395055 0.56368630288991 0.83648790449761 10.811 > 26 116 B 0.67229085395055 0.56368630288991 0.83648790449761 10.811 > 26 117 B 0.32770914604945 0.56368630288991 0.83648790449761 10.811 > 27 118 B 0.82770914604945 0.56368630288991 0.83648790449761 10.811 > 27 119 B 0.25000000000000 0.66601819204017 0.97597833847539 10.811 > 28 120 B 0.75000000000000 0.66601819204017 0.97597833847539 10.811 > 28 121 B 0.25000000000000 0.41744088912653 0.82310069050749 10.811 > 29 122 B 0.75000000000000 0.41744088912653 0.82310069050749 10.811 > 29 123 B 0.12665570080950 0.57796138210889 0.04487228050024 10.811 > 30 124 B 0.62665570080950 0.57796138210889 0.04487228050024 10.811 > 30 125 B 0.37334429919050 0.57796138210889 0.04487228050024 10.811 > 31 126 B 0.87334429919050 0.57796138210889 0.04487228050024 10.811 > 31 127 B 0.00000000000000 0.64186936292661 0.11462744783300 10.811 > 32 128 B 0.50000000000000 0.64186936292661 0.11462744783300 10.811 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9788020 0.0000000 0.0000000 0.0000000 9.2978049 0.0000000 0.0000000 0.0000000 9.0643069 -------------------------- Born effective charges -------------------------- 1 Mg 2.0888513 0.0000000 0.1770895 0.0000000 2.6090253 -0.0000000 0.2423510 0.0000000 1.9892239 2 Mg 2.0888513 0.0000000 -0.1770895 0.0000000 2.6090253 -0.0000000 -0.2423510 0.0000000 1.9892239 3 Mg 2.5284277 0.0000000 0.0000000 0.0000000 3.1854999 -0.0000000 0.0000000 0.0000000 2.9846996 4 Mg 2.5284277 0.0000000 0.0000000 0.0000000 3.1854999 -0.0000000 0.0000000 0.0000000 2.9846996 5 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 0.0751284 0.0000000 0.0687814 -1.2924248 6 B 0.3410595 0.4348918 0.3569724 0.5496538 -0.3614936 0.1539962 0.3621944 0.1010817 -0.3523745 7 B 0.3410595 -0.4348918 -0.3569724 -0.5496538 -0.3614936 0.1539962 -0.3621944 0.1010817 -0.3523745 8 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 0.5134075 0.0000000 0.3661661 0.3813404 9 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 -0.1604494 0.0000000 0.0207316 -0.6362876 10 B -0.2663288 0.0294475 -0.3184924 0.0244183 -0.6752665 0.0304949 -0.2129625 0.0547007 -0.1174204 11 B -0.2663288 -0.0294475 0.3184924 -0.0244183 -0.6752665 0.0304949 0.2129625 0.0547007 -0.1174204 12 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 -0.5134075 0.0000000 -0.3661661 0.3813404 13 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 -0.0751284 0.0000000 -0.0687814 -1.2924248 14 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 0.1604494 0.0000000 -0.0207316 -0.6362876 15 B 0.3410595 -0.4348918 0.3569724 -0.5496538 -0.3614936 -0.1539962 0.3621944 -0.1010817 -0.3523745 16 B 0.3410595 0.4348918 -0.3569724 0.5496538 -0.3614936 -0.1539962 -0.3621944 -0.1010817 -0.3523745 17 B -0.2663288 0.0294475 0.3184924 0.0244183 -0.6752665 -0.0304949 0.2129625 -0.0547007 -0.1174204 18 B -0.2663288 -0.0294475 -0.3184924 -0.0244183 -0.6752665 -0.0304949 -0.2129625 -0.0547007 -0.1174204 19 B -0.2663288 -0.0294475 -0.3184924 -0.0244183 -0.6752665 -0.0304949 -0.2129625 -0.0547007 -0.1174204 20 B -0.2663288 0.0294475 0.3184924 0.0244183 -0.6752665 -0.0304949 0.2129625 -0.0547007 -0.1174204 21 B 0.3410595 0.4348918 -0.3569724 0.5496538 -0.3614936 -0.1539962 -0.3621944 -0.1010817 -0.3523745 22 B 0.3410595 -0.4348918 0.3569724 -0.5496538 -0.3614936 -0.1539962 0.3621944 -0.1010817 -0.3523745 23 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 0.1604494 0.0000000 -0.0207316 -0.6362876 24 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 -0.0751284 0.0000000 -0.0687814 -1.2924248 25 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 -0.5134075 0.0000000 -0.3661661 0.3813404 26 B -0.2663288 -0.0294475 0.3184924 -0.0244183 -0.6752665 0.0304949 0.2129625 0.0547007 -0.1174204 27 B -0.2663288 0.0294475 -0.3184924 0.0244183 -0.6752665 0.0304949 -0.2129625 0.0547007 -0.1174204 28 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 -0.1604494 0.0000000 0.0207316 -0.6362876 29 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 0.5134075 0.0000000 0.3661661 0.3813404 30 B 0.3410595 -0.4348918 -0.3569724 -0.5496538 -0.3614936 0.1539962 -0.3621944 0.1010817 -0.3523745 31 B 0.3410595 0.4348918 0.3569724 0.5496538 -0.3614936 0.1539962 0.3621944 0.1010817 -0.3523745 32 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 0.0751284 0.0000000 0.0687814 -1.2924248 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 25728/25728 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2482 Number of blocks in projector: 2482 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: 552 Use submatrix version of eigh solver. (1) Block: 552 / 552 (2) Block: 250 / 552 (2) 240 eigenvectors found. (2) Block: 500 / 552 (2) 240 eigenvectors found. (2) Block: 552 / 552 (2) 45 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 456 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 334 Use standard eigh solver. Tree of FC basis block matrices: - (2482, 2441), data: False |-- (334, 327), data: True |-- (334, 327), data: True |-- (334, 327), data: True |-- (456, 452), data: True |-- (472, 466), data: True |-- (552, 542), data: False |-- (552, 542), data: False |-- (552, 17), data: (552, 27) @ (27, 17) |-- (52, 45), data: True |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.861 Solver_block: 200 / 480 - Time: 0.816 Solver_block: 300 / 480 - Time: 0.815 Solver_block: 400 / 480 - Time: 0.810 Solver_block: 480 / 480 - Time: 0.675 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.070 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 25728/25728 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2482 Number of blocks in projector: 2482 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: 552 Use submatrix version of eigh solver. (1) Block: 552 / 552 (2) Block: 250 / 552 (2) 240 eigenvectors found. (2) Block: 500 / 552 (2) 240 eigenvectors found. (2) Block: 552 / 552 (2) 45 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 456 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 334 Use standard eigh solver. Tree of FC basis block matrices: - (2482, 2441), data: False |-- (334, 327), data: True |-- (334, 327), data: True |-- (334, 327), data: True |-- (456, 452), data: True |-- (472, 466), data: True |-- (552, 542), data: False |-- (552, 542), data: False |-- (552, 17), data: (552, 27) @ (27, 17) |-- (52, 45), data: True |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:43:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:43:17]------------------------- 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): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.977086244999999 5.205451760000000 4.036242874999999 b 2.977086244999999 -5.205451760000000 4.036242874999999 c 2.977086244999999 5.205451760000000 -4.036242874999999 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 3 Mg 0.38767947657768 0.13767947657768 0.25000000000000 24.305 4 Mg 0.61232052342232 0.86232052342232 0.75000000000000 24.305 5 B 0.24350318924039 0.88537255216700 0.35813063707339 10.811 6 B 0.37716633739087 0.20843912111875 0.67535001951011 10.811 7 B 0.37716633739087 0.70181631788076 0.16872721627212 10.811 8 B 0.75945842036599 0.67689930949251 0.08255911087347 10.811 9 B 0.35800346948444 0.52402166152461 0.83398180795983 10.811 10 B 0.59982579261248 0.50809380340350 0.78089540501120 10.811 11 B 0.59982579261248 0.81893038760128 0.09173198920898 10.811 12 B 0.90565980138096 0.32310069050749 0.58255911087347 10.811 13 B 0.02724191509361 0.88537255216700 0.14186936292661 10.811 14 B 0.19003985356479 0.52402166152461 0.66601819204017 10.811 15 B 0.03308910160865 0.20843912111875 0.33127278372788 10.811 16 B 0.03308910160865 0.70181631788076 0.82464998048989 10.811 17 B 0.77280160160770 0.18106961239872 0.28089540501120 10.811 18 B 0.77280160160770 0.49190619659650 0.59173198920898 10.811 19 B 0.22719839839230 0.50809380340350 0.40826801079102 10.811 20 B 0.22719839839230 0.81893038760128 0.71910459498880 10.811 21 B 0.96691089839135 0.29818368211924 0.17535001951011 10.811 22 B 0.96691089839135 0.79156087888125 0.66872721627212 10.811 23 B 0.80996014643521 0.47597833847539 0.33398180795983 10.811 24 B 0.97275808490639 0.11462744783300 0.85813063707339 10.811 25 B 0.09434019861904 0.67689930949251 0.41744088912653 10.811 26 B 0.40017420738752 0.18106961239872 0.90826801079102 10.811 27 B 0.40017420738752 0.49190619659650 0.21910459498880 10.811 28 B 0.64199653051556 0.47597833847539 0.16601819204017 10.811 29 B 0.24054157963401 0.32310069050749 0.91744088912653 10.811 30 B 0.62283366260913 0.29818368211924 0.83127278372788 10.811 31 B 0.62283366260913 0.79156087888125 0.32464998048989 10.811 32 B 0.75649681075961 0.11462744783300 0.64186936292661 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.908344979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.410903520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.072485749999998 Atomic positions (fractional): 1 Mg 0.12500000000000 0.25000000000000 0.75000000000000 24.305 > 1 2 Mg 0.62500000000000 0.25000000000000 0.75000000000000 24.305 > 1 3 Mg 0.37500000000000 0.25000000000000 0.75000000000000 24.305 > 3 4 Mg 0.87500000000000 0.25000000000000 0.75000000000000 24.305 > 3 5 Mg 0.25000000000000 0.75000000000000 0.63767947657768 24.305 > 5 6 Mg 0.75000000000000 0.75000000000000 0.63767947657768 24.305 > 5 7 Mg 0.25000000000000 0.25000000000000 0.36232052342232 24.305 > 7 8 Mg 0.75000000000000 0.25000000000000 0.36232052342232 24.305 > 7 9 Mg 0.37500000000000 0.75000000000000 0.25000000000000 24.305 > 1 10 Mg 0.87500000000000 0.75000000000000 0.25000000000000 24.305 > 1 11 Mg 0.12500000000000 0.75000000000000 0.25000000000000 24.305 > 3 12 Mg 0.62500000000000 0.75000000000000 0.25000000000000 24.305 > 3 13 Mg 0.00000000000000 0.25000000000000 0.13767947657768 24.305 > 5 14 Mg 0.50000000000000 0.25000000000000 0.13767947657768 24.305 > 5 15 Mg 0.00000000000000 0.75000000000000 0.86232052342232 24.305 > 7 16 Mg 0.50000000000000 0.75000000000000 0.86232052342232 24.305 > 7 17 B 0.25000000000000 0.85813063707339 0.38537255216700 10.811 > 17 18 B 0.75000000000000 0.85813063707339 0.38537255216700 10.811 > 17 19 B 0.37665570080950 0.92203861789111 0.45512771949976 10.811 > 19 20 B 0.87665570080950 0.92203861789111 0.45512771949976 10.811 > 19 21 B 0.12334429919050 0.92203861789111 0.45512771949976 10.811 > 21 22 B 0.62334429919050 0.92203861789111 0.45512771949976 10.811 > 21 23 B 0.00000000000000 0.08255911087347 0.67689930949251 10.811 > 23 24 B 0.50000000000000 0.08255911087347 0.67689930949251 10.811 > 23 25 B 0.00000000000000 0.83398180795983 0.52402166152461 10.811 > 25 26 B 0.50000000000000 0.83398180795983 0.52402166152461 10.811 > 25 27 B 0.42229085395055 0.93631369711009 0.66351209550239 10.811 > 27 28 B 0.92229085395055 0.93631369711009 0.66351209550239 10.811 > 27 29 B 0.07770914604945 0.93631369711009 0.66351209550239 10.811 > 29 30 B 0.57770914604945 0.93631369711009 0.66351209550239 10.811 > 29 31 B 0.25000000000000 0.08255911087347 0.82310069050749 10.811 > 31 32 B 0.75000000000000 0.08255911087347 0.82310069050749 10.811 > 31 33 B 0.25000000000000 0.64186936292661 0.38537255216700 10.811 > 33 34 B 0.75000000000000 0.64186936292661 0.38537255216700 10.811 > 33 35 B 0.00000000000000 0.66601819204017 0.52402166152461 10.811 > 35 36 B 0.50000000000000 0.66601819204017 0.52402166152461 10.811 > 35 37 B 0.37665570080950 0.57796138210889 0.45512771949976 10.811 > 37 38 B 0.87665570080950 0.57796138210889 0.45512771949976 10.811 > 37 39 B 0.12334429919050 0.57796138210889 0.45512771949976 10.811 > 39 40 B 0.62334429919050 0.57796138210889 0.45512771949976 10.811 > 39 41 B 0.17229085395055 0.93631369711009 0.83648790449761 10.811 > 41 42 B 0.67229085395055 0.93631369711009 0.83648790449761 10.811 > 41 43 B 0.32770914604945 0.93631369711009 0.83648790449761 10.811 > 43 44 B 0.82770914604945 0.93631369711009 0.83648790449761 10.811 > 43 45 B 0.17229085395055 0.06368630288991 0.16351209550239 10.811 > 45 46 B 0.67229085395055 0.06368630288991 0.16351209550239 10.811 > 45 47 B 0.32770914604945 0.06368630288991 0.16351209550239 10.811 > 47 48 B 0.82770914604945 0.06368630288991 0.16351209550239 10.811 > 47 49 B 0.37665570080950 0.42203861789111 0.54487228050024 10.811 > 49 50 B 0.87665570080950 0.42203861789111 0.54487228050024 10.811 > 49 51 B 0.12334429919050 0.42203861789111 0.54487228050024 10.811 > 51 52 B 0.62334429919050 0.42203861789111 0.54487228050024 10.811 > 51 53 B 0.00000000000000 0.33398180795983 0.47597833847539 10.811 > 53 54 B 0.50000000000000 0.33398180795983 0.47597833847539 10.811 > 53 55 B 0.25000000000000 0.35813063707339 0.61462744783300 10.811 > 55 56 B 0.75000000000000 0.35813063707339 0.61462744783300 10.811 > 55 57 B 0.25000000000000 0.91744088912653 0.17689930949251 10.811 > 57 58 B 0.75000000000000 0.91744088912653 0.17689930949251 10.811 > 57 59 B 0.42229085395055 0.06368630288991 0.33648790449761 10.811 > 59 60 B 0.92229085395055 0.06368630288991 0.33648790449761 10.811 > 59 61 B 0.07770914604945 0.06368630288991 0.33648790449761 10.811 > 61 62 B 0.57770914604945 0.06368630288991 0.33648790449761 10.811 > 61 63 B 0.00000000000000 0.16601819204017 0.47597833847539 10.811 > 63 64 B 0.50000000000000 0.16601819204017 0.47597833847539 10.811 > 63 65 B 0.00000000000000 0.91744088912653 0.32310069050749 10.811 > 65 66 B 0.50000000000000 0.91744088912653 0.32310069050749 10.811 > 65 67 B 0.37665570080950 0.07796138210889 0.54487228050024 10.811 > 67 68 B 0.87665570080950 0.07796138210889 0.54487228050024 10.811 > 67 69 B 0.12334429919050 0.07796138210889 0.54487228050024 10.811 > 69 70 B 0.62334429919050 0.07796138210889 0.54487228050024 10.811 > 69 71 B 0.25000000000000 0.14186936292661 0.61462744783300 10.811 > 71 72 B 0.75000000000000 0.14186936292661 0.61462744783300 10.811 > 71 73 B 0.00000000000000 0.35813063707339 0.88537255216700 10.811 > 17 74 B 0.50000000000000 0.35813063707339 0.88537255216700 10.811 > 17 75 B 0.12665570080950 0.42203861789111 0.95512771949976 10.811 > 19 76 B 0.62665570080950 0.42203861789111 0.95512771949976 10.811 > 19 77 B 0.37334429919050 0.42203861789111 0.95512771949976 10.811 > 21 78 B 0.87334429919050 0.42203861789111 0.95512771949976 10.811 > 21 79 B 0.25000000000000 0.58255911087347 0.17689930949251 10.811 > 23 80 B 0.75000000000000 0.58255911087347 0.17689930949251 10.811 > 23 81 B 0.25000000000000 0.33398180795983 0.02402166152461 10.811 > 25 82 B 0.75000000000000 0.33398180795983 0.02402166152461 10.811 > 25 83 B 0.17229085395055 0.43631369711009 0.16351209550239 10.811 > 27 84 B 0.67229085395055 0.43631369711009 0.16351209550239 10.811 > 27 85 B 0.32770914604945 0.43631369711009 0.16351209550239 10.811 > 29 86 B 0.82770914604945 0.43631369711009 0.16351209550239 10.811 > 29 87 B 0.00000000000000 0.58255911087347 0.32310069050749 10.811 > 31 88 B 0.50000000000000 0.58255911087347 0.32310069050749 10.811 > 31 89 B 0.00000000000000 0.14186936292661 0.88537255216700 10.811 > 33 90 B 0.50000000000000 0.14186936292661 0.88537255216700 10.811 > 33 91 B 0.25000000000000 0.16601819204017 0.02402166152461 10.811 > 35 92 B 0.75000000000000 0.16601819204017 0.02402166152461 10.811 > 35 93 B 0.12665570080950 0.07796138210889 0.95512771949976 10.811 > 37 94 B 0.62665570080950 0.07796138210889 0.95512771949976 10.811 > 37 95 B 0.37334429919050 0.07796138210889 0.95512771949976 10.811 > 39 96 B 0.87334429919050 0.07796138210889 0.95512771949976 10.811 > 39 97 B 0.42229085395055 0.43631369711009 0.33648790449761 10.811 > 41 98 B 0.92229085395055 0.43631369711009 0.33648790449761 10.811 > 41 99 B 0.07770914604945 0.43631369711009 0.33648790449761 10.811 > 43 100 B 0.57770914604945 0.43631369711009 0.33648790449761 10.811 > 43 101 B 0.42229085395055 0.56368630288991 0.66351209550239 10.811 > 45 102 B 0.92229085395055 0.56368630288991 0.66351209550239 10.811 > 45 103 B 0.07770914604945 0.56368630288991 0.66351209550239 10.811 > 47 104 B 0.57770914604945 0.56368630288991 0.66351209550239 10.811 > 47 105 B 0.12665570080950 0.92203861789111 0.04487228050024 10.811 > 49 106 B 0.62665570080950 0.92203861789111 0.04487228050024 10.811 > 49 107 B 0.37334429919050 0.92203861789111 0.04487228050024 10.811 > 51 108 B 0.87334429919050 0.92203861789111 0.04487228050024 10.811 > 51 109 B 0.25000000000000 0.83398180795983 0.97597833847539 10.811 > 53 110 B 0.75000000000000 0.83398180795983 0.97597833847539 10.811 > 53 111 B 0.00000000000000 0.85813063707339 0.11462744783300 10.811 > 55 112 B 0.50000000000000 0.85813063707339 0.11462744783300 10.811 > 55 113 B 0.00000000000000 0.41744088912653 0.67689930949251 10.811 > 57 114 B 0.50000000000000 0.41744088912653 0.67689930949251 10.811 > 57 115 B 0.17229085395055 0.56368630288991 0.83648790449761 10.811 > 59 116 B 0.67229085395055 0.56368630288991 0.83648790449761 10.811 > 59 117 B 0.32770914604945 0.56368630288991 0.83648790449761 10.811 > 61 118 B 0.82770914604945 0.56368630288991 0.83648790449761 10.811 > 61 119 B 0.25000000000000 0.66601819204017 0.97597833847539 10.811 > 63 120 B 0.75000000000000 0.66601819204017 0.97597833847539 10.811 > 63 121 B 0.25000000000000 0.41744088912653 0.82310069050749 10.811 > 65 122 B 0.75000000000000 0.41744088912653 0.82310069050749 10.811 > 65 123 B 0.12665570080950 0.57796138210889 0.04487228050024 10.811 > 67 124 B 0.62665570080950 0.57796138210889 0.04487228050024 10.811 > 67 125 B 0.37334429919050 0.57796138210889 0.04487228050024 10.811 > 69 126 B 0.87334429919050 0.57796138210889 0.04487228050024 10.811 > 69 127 B 0.00000000000000 0.64186936292661 0.11462744783300 10.811 > 71 128 B 0.50000000000000 0.64186936292661 0.11462744783300 10.811 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9788020 0.0000000 0.0000000 0.0000000 9.2978049 0.0000000 0.0000000 0.0000000 9.0643069 -------------------------- Born effective charges -------------------------- 1 Mg 2.0888513 0.0000000 0.1770895 0.0000000 2.6090253 -0.0000000 0.2423510 0.0000000 1.9892239 2 Mg 2.0888513 0.0000000 -0.1770895 0.0000000 2.6090253 -0.0000000 -0.2423510 0.0000000 1.9892239 3 Mg 2.5284277 0.0000000 0.0000000 0.0000000 3.1854999 -0.0000000 0.0000000 0.0000000 2.9846996 4 Mg 2.5284277 0.0000000 0.0000000 0.0000000 3.1854999 -0.0000000 0.0000000 0.0000000 2.9846996 5 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 0.0751284 0.0000000 0.0687814 -1.2924248 6 B 0.3410595 0.4348918 0.3569724 0.5496538 -0.3614936 0.1539962 0.3621944 0.1010817 -0.3523745 7 B 0.3410595 -0.4348918 -0.3569724 -0.5496538 -0.3614936 0.1539962 -0.3621944 0.1010817 -0.3523745 8 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 0.5134075 0.0000000 0.3661661 0.3813404 9 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 -0.1604494 0.0000000 0.0207316 -0.6362876 10 B -0.2663288 0.0294475 -0.3184924 0.0244183 -0.6752665 0.0304949 -0.2129625 0.0547007 -0.1174204 11 B -0.2663288 -0.0294475 0.3184924 -0.0244183 -0.6752665 0.0304949 0.2129625 0.0547007 -0.1174204 12 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 -0.5134075 0.0000000 -0.3661661 0.3813404 13 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 -0.0751284 0.0000000 -0.0687814 -1.2924248 14 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 0.1604494 0.0000000 -0.0207316 -0.6362876 15 B 0.3410595 -0.4348918 0.3569724 -0.5496538 -0.3614936 -0.1539962 0.3621944 -0.1010817 -0.3523745 16 B 0.3410595 0.4348918 -0.3569724 0.5496538 -0.3614936 -0.1539962 -0.3621944 -0.1010817 -0.3523745 17 B -0.2663288 0.0294475 0.3184924 0.0244183 -0.6752665 -0.0304949 0.2129625 -0.0547007 -0.1174204 18 B -0.2663288 -0.0294475 -0.3184924 -0.0244183 -0.6752665 -0.0304949 -0.2129625 -0.0547007 -0.1174204 19 B -0.2663288 -0.0294475 -0.3184924 -0.0244183 -0.6752665 -0.0304949 -0.2129625 -0.0547007 -0.1174204 20 B -0.2663288 0.0294475 0.3184924 0.0244183 -0.6752665 -0.0304949 0.2129625 -0.0547007 -0.1174204 21 B 0.3410595 0.4348918 -0.3569724 0.5496538 -0.3614936 -0.1539962 -0.3621944 -0.1010817 -0.3523745 22 B 0.3410595 -0.4348918 0.3569724 -0.5496538 -0.3614936 -0.1539962 0.3621944 -0.1010817 -0.3523745 23 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 0.1604494 0.0000000 -0.0207316 -0.6362876 24 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 -0.0751284 0.0000000 -0.0687814 -1.2924248 25 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 -0.5134075 0.0000000 -0.3661661 0.3813404 26 B -0.2663288 -0.0294475 0.3184924 -0.0244183 -0.6752665 0.0304949 0.2129625 0.0547007 -0.1174204 27 B -0.2663288 0.0294475 -0.3184924 0.0244183 -0.6752665 0.0304949 -0.2129625 0.0547007 -0.1174204 28 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 -0.1604494 0.0000000 0.0207316 -0.6362876 29 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 0.5134075 0.0000000 0.3661661 0.3813404 30 B 0.3410595 -0.4348918 -0.3569724 -0.5496538 -0.3614936 0.1539962 -0.3621944 0.1010817 -0.3523745 31 B 0.3410595 0.4348918 0.3569724 0.5496538 -0.3614936 0.1539962 0.3621944 0.1010817 -0.3523745 32 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 0.0751284 0.0000000 0.0687814 -1.2924248 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, 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[ 27, 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: -0.00000002 (yyx) -0.00000002 (yyx) -0.00000002 (yxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:43:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:43:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.977086244999999 5.205451760000000 4.036242874999999 b 2.977086244999999 -5.205451760000000 4.036242874999999 c 2.977086244999999 5.205451760000000 -4.036242874999999 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 3 Mg 0.38767947657768 0.13767947657768 0.25000000000000 24.305 4 Mg 0.61232052342232 0.86232052342232 0.75000000000000 24.305 5 B 0.24350318924039 0.88537255216700 0.35813063707339 10.811 6 B 0.37716633739087 0.20843912111875 0.67535001951011 10.811 7 B 0.37716633739087 0.70181631788076 0.16872721627212 10.811 8 B 0.75945842036599 0.67689930949251 0.08255911087347 10.811 9 B 0.35800346948444 0.52402166152461 0.83398180795983 10.811 10 B 0.59982579261248 0.50809380340350 0.78089540501120 10.811 11 B 0.59982579261248 0.81893038760128 0.09173198920898 10.811 12 B 0.90565980138096 0.32310069050749 0.58255911087347 10.811 13 B 0.02724191509361 0.88537255216700 0.14186936292661 10.811 14 B 0.19003985356479 0.52402166152461 0.66601819204017 10.811 15 B 0.03308910160865 0.20843912111875 0.33127278372788 10.811 16 B 0.03308910160865 0.70181631788076 0.82464998048989 10.811 17 B 0.77280160160770 0.18106961239872 0.28089540501120 10.811 18 B 0.77280160160770 0.49190619659650 0.59173198920898 10.811 19 B 0.22719839839230 0.50809380340350 0.40826801079102 10.811 20 B 0.22719839839230 0.81893038760128 0.71910459498880 10.811 21 B 0.96691089839135 0.29818368211924 0.17535001951011 10.811 22 B 0.96691089839135 0.79156087888125 0.66872721627212 10.811 23 B 0.80996014643521 0.47597833847539 0.33398180795983 10.811 24 B 0.97275808490639 0.11462744783300 0.85813063707339 10.811 25 B 0.09434019861904 0.67689930949251 0.41744088912653 10.811 26 B 0.40017420738752 0.18106961239872 0.90826801079102 10.811 27 B 0.40017420738752 0.49190619659650 0.21910459498880 10.811 28 B 0.64199653051556 0.47597833847539 0.16601819204017 10.811 29 B 0.24054157963401 0.32310069050749 0.91744088912653 10.811 30 B 0.62283366260913 0.29818368211924 0.83127278372788 10.811 31 B 0.62283366260913 0.79156087888125 0.32464998048989 10.811 32 B 0.75649681075961 0.11462744783300 0.64186936292661 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.908344979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.410903520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.072485749999998 Atomic positions (fractional): 1 Mg 0.12500000000000 0.25000000000000 0.75000000000000 24.305 > 1 2 Mg 0.62500000000000 0.25000000000000 0.75000000000000 24.305 > 1 3 Mg 0.37500000000000 0.25000000000000 0.75000000000000 24.305 > 3 4 Mg 0.87500000000000 0.25000000000000 0.75000000000000 24.305 > 3 5 Mg 0.25000000000000 0.75000000000000 0.63767947657768 24.305 > 5 6 Mg 0.75000000000000 0.75000000000000 0.63767947657768 24.305 > 5 7 Mg 0.25000000000000 0.25000000000000 0.36232052342232 24.305 > 7 8 Mg 0.75000000000000 0.25000000000000 0.36232052342232 24.305 > 7 9 Mg 0.37500000000000 0.75000000000000 0.25000000000000 24.305 > 1 10 Mg 0.87500000000000 0.75000000000000 0.25000000000000 24.305 > 1 11 Mg 0.12500000000000 0.75000000000000 0.25000000000000 24.305 > 3 12 Mg 0.62500000000000 0.75000000000000 0.25000000000000 24.305 > 3 13 Mg 0.00000000000000 0.25000000000000 0.13767947657768 24.305 > 5 14 Mg 0.50000000000000 0.25000000000000 0.13767947657768 24.305 > 5 15 Mg 0.00000000000000 0.75000000000000 0.86232052342232 24.305 > 7 16 Mg 0.50000000000000 0.75000000000000 0.86232052342232 24.305 > 7 17 B 0.25000000000000 0.85813063707339 0.38537255216700 10.811 > 17 18 B 0.75000000000000 0.85813063707339 0.38537255216700 10.811 > 17 19 B 0.37665570080950 0.92203861789111 0.45512771949976 10.811 > 19 20 B 0.87665570080950 0.92203861789111 0.45512771949976 10.811 > 19 21 B 0.12334429919050 0.92203861789111 0.45512771949976 10.811 > 21 22 B 0.62334429919050 0.92203861789111 0.45512771949976 10.811 > 21 23 B 0.00000000000000 0.08255911087347 0.67689930949251 10.811 > 23 24 B 0.50000000000000 0.08255911087347 0.67689930949251 10.811 > 23 25 B 0.00000000000000 0.83398180795983 0.52402166152461 10.811 > 25 26 B 0.50000000000000 0.83398180795983 0.52402166152461 10.811 > 25 27 B 0.42229085395055 0.93631369711009 0.66351209550239 10.811 > 27 28 B 0.92229085395055 0.93631369711009 0.66351209550239 10.811 > 27 29 B 0.07770914604945 0.93631369711009 0.66351209550239 10.811 > 29 30 B 0.57770914604945 0.93631369711009 0.66351209550239 10.811 > 29 31 B 0.25000000000000 0.08255911087347 0.82310069050749 10.811 > 31 32 B 0.75000000000000 0.08255911087347 0.82310069050749 10.811 > 31 33 B 0.25000000000000 0.64186936292661 0.38537255216700 10.811 > 33 34 B 0.75000000000000 0.64186936292661 0.38537255216700 10.811 > 33 35 B 0.00000000000000 0.66601819204017 0.52402166152461 10.811 > 35 36 B 0.50000000000000 0.66601819204017 0.52402166152461 10.811 > 35 37 B 0.37665570080950 0.57796138210889 0.45512771949976 10.811 > 37 38 B 0.87665570080950 0.57796138210889 0.45512771949976 10.811 > 37 39 B 0.12334429919050 0.57796138210889 0.45512771949976 10.811 > 39 40 B 0.62334429919050 0.57796138210889 0.45512771949976 10.811 > 39 41 B 0.17229085395055 0.93631369711009 0.83648790449761 10.811 > 41 42 B 0.67229085395055 0.93631369711009 0.83648790449761 10.811 > 41 43 B 0.32770914604945 0.93631369711009 0.83648790449761 10.811 > 43 44 B 0.82770914604945 0.93631369711009 0.83648790449761 10.811 > 43 45 B 0.17229085395055 0.06368630288991 0.16351209550239 10.811 > 45 46 B 0.67229085395055 0.06368630288991 0.16351209550239 10.811 > 45 47 B 0.32770914604945 0.06368630288991 0.16351209550239 10.811 > 47 48 B 0.82770914604945 0.06368630288991 0.16351209550239 10.811 > 47 49 B 0.37665570080950 0.42203861789111 0.54487228050024 10.811 > 49 50 B 0.87665570080950 0.42203861789111 0.54487228050024 10.811 > 49 51 B 0.12334429919050 0.42203861789111 0.54487228050024 10.811 > 51 52 B 0.62334429919050 0.42203861789111 0.54487228050024 10.811 > 51 53 B 0.00000000000000 0.33398180795983 0.47597833847539 10.811 > 53 54 B 0.50000000000000 0.33398180795983 0.47597833847539 10.811 > 53 55 B 0.25000000000000 0.35813063707339 0.61462744783300 10.811 > 55 56 B 0.75000000000000 0.35813063707339 0.61462744783300 10.811 > 55 57 B 0.25000000000000 0.91744088912653 0.17689930949251 10.811 > 57 58 B 0.75000000000000 0.91744088912653 0.17689930949251 10.811 > 57 59 B 0.42229085395055 0.06368630288991 0.33648790449761 10.811 > 59 60 B 0.92229085395055 0.06368630288991 0.33648790449761 10.811 > 59 61 B 0.07770914604945 0.06368630288991 0.33648790449761 10.811 > 61 62 B 0.57770914604945 0.06368630288991 0.33648790449761 10.811 > 61 63 B 0.00000000000000 0.16601819204017 0.47597833847539 10.811 > 63 64 B 0.50000000000000 0.16601819204017 0.47597833847539 10.811 > 63 65 B 0.00000000000000 0.91744088912653 0.32310069050749 10.811 > 65 66 B 0.50000000000000 0.91744088912653 0.32310069050749 10.811 > 65 67 B 0.37665570080950 0.07796138210889 0.54487228050024 10.811 > 67 68 B 0.87665570080950 0.07796138210889 0.54487228050024 10.811 > 67 69 B 0.12334429919050 0.07796138210889 0.54487228050024 10.811 > 69 70 B 0.62334429919050 0.07796138210889 0.54487228050024 10.811 > 69 71 B 0.25000000000000 0.14186936292661 0.61462744783300 10.811 > 71 72 B 0.75000000000000 0.14186936292661 0.61462744783300 10.811 > 71 73 B 0.00000000000000 0.35813063707339 0.88537255216700 10.811 > 17 74 B 0.50000000000000 0.35813063707339 0.88537255216700 10.811 > 17 75 B 0.12665570080950 0.42203861789111 0.95512771949976 10.811 > 19 76 B 0.62665570080950 0.42203861789111 0.95512771949976 10.811 > 19 77 B 0.37334429919050 0.42203861789111 0.95512771949976 10.811 > 21 78 B 0.87334429919050 0.42203861789111 0.95512771949976 10.811 > 21 79 B 0.25000000000000 0.58255911087347 0.17689930949251 10.811 > 23 80 B 0.75000000000000 0.58255911087347 0.17689930949251 10.811 > 23 81 B 0.25000000000000 0.33398180795983 0.02402166152461 10.811 > 25 82 B 0.75000000000000 0.33398180795983 0.02402166152461 10.811 > 25 83 B 0.17229085395055 0.43631369711009 0.16351209550239 10.811 > 27 84 B 0.67229085395055 0.43631369711009 0.16351209550239 10.811 > 27 85 B 0.32770914604945 0.43631369711009 0.16351209550239 10.811 > 29 86 B 0.82770914604945 0.43631369711009 0.16351209550239 10.811 > 29 87 B 0.00000000000000 0.58255911087347 0.32310069050749 10.811 > 31 88 B 0.50000000000000 0.58255911087347 0.32310069050749 10.811 > 31 89 B 0.00000000000000 0.14186936292661 0.88537255216700 10.811 > 33 90 B 0.50000000000000 0.14186936292661 0.88537255216700 10.811 > 33 91 B 0.25000000000000 0.16601819204017 0.02402166152461 10.811 > 35 92 B 0.75000000000000 0.16601819204017 0.02402166152461 10.811 > 35 93 B 0.12665570080950 0.07796138210889 0.95512771949976 10.811 > 37 94 B 0.62665570080950 0.07796138210889 0.95512771949976 10.811 > 37 95 B 0.37334429919050 0.07796138210889 0.95512771949976 10.811 > 39 96 B 0.87334429919050 0.07796138210889 0.95512771949976 10.811 > 39 97 B 0.42229085395055 0.43631369711009 0.33648790449761 10.811 > 41 98 B 0.92229085395055 0.43631369711009 0.33648790449761 10.811 > 41 99 B 0.07770914604945 0.43631369711009 0.33648790449761 10.811 > 43 100 B 0.57770914604945 0.43631369711009 0.33648790449761 10.811 > 43 101 B 0.42229085395055 0.56368630288991 0.66351209550239 10.811 > 45 102 B 0.92229085395055 0.56368630288991 0.66351209550239 10.811 > 45 103 B 0.07770914604945 0.56368630288991 0.66351209550239 10.811 > 47 104 B 0.57770914604945 0.56368630288991 0.66351209550239 10.811 > 47 105 B 0.12665570080950 0.92203861789111 0.04487228050024 10.811 > 49 106 B 0.62665570080950 0.92203861789111 0.04487228050024 10.811 > 49 107 B 0.37334429919050 0.92203861789111 0.04487228050024 10.811 > 51 108 B 0.87334429919050 0.92203861789111 0.04487228050024 10.811 > 51 109 B 0.25000000000000 0.83398180795983 0.97597833847539 10.811 > 53 110 B 0.75000000000000 0.83398180795983 0.97597833847539 10.811 > 53 111 B 0.00000000000000 0.85813063707339 0.11462744783300 10.811 > 55 112 B 0.50000000000000 0.85813063707339 0.11462744783300 10.811 > 55 113 B 0.00000000000000 0.41744088912653 0.67689930949251 10.811 > 57 114 B 0.50000000000000 0.41744088912653 0.67689930949251 10.811 > 57 115 B 0.17229085395055 0.56368630288991 0.83648790449761 10.811 > 59 116 B 0.67229085395055 0.56368630288991 0.83648790449761 10.811 > 59 117 B 0.32770914604945 0.56368630288991 0.83648790449761 10.811 > 61 118 B 0.82770914604945 0.56368630288991 0.83648790449761 10.811 > 61 119 B 0.25000000000000 0.66601819204017 0.97597833847539 10.811 > 63 120 B 0.75000000000000 0.66601819204017 0.97597833847539 10.811 > 63 121 B 0.25000000000000 0.41744088912653 0.82310069050749 10.811 > 65 122 B 0.75000000000000 0.41744088912653 0.82310069050749 10.811 > 65 123 B 0.12665570080950 0.57796138210889 0.04487228050024 10.811 > 67 124 B 0.62665570080950 0.57796138210889 0.04487228050024 10.811 > 67 125 B 0.37334429919050 0.57796138210889 0.04487228050024 10.811 > 69 126 B 0.87334429919050 0.57796138210889 0.04487228050024 10.811 > 69 127 B 0.00000000000000 0.64186936292661 0.11462744783300 10.811 > 71 128 B 0.50000000000000 0.64186936292661 0.11462744783300 10.811 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.9788020 0.0000000 0.0000000 0.0000000 9.2978049 0.0000000 0.0000000 0.0000000 9.0643069 -------------------------- Born effective charges -------------------------- 1 Mg 2.0888513 0.0000000 0.1770895 0.0000000 2.6090253 -0.0000000 0.2423510 0.0000000 1.9892239 2 Mg 2.0888513 0.0000000 -0.1770895 0.0000000 2.6090253 -0.0000000 -0.2423510 0.0000000 1.9892239 3 Mg 2.5284277 0.0000000 0.0000000 0.0000000 3.1854999 -0.0000000 0.0000000 0.0000000 2.9846996 4 Mg 2.5284277 0.0000000 0.0000000 0.0000000 3.1854999 -0.0000000 0.0000000 0.0000000 2.9846996 5 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 0.0751284 0.0000000 0.0687814 -1.2924248 6 B 0.3410595 0.4348918 0.3569724 0.5496538 -0.3614936 0.1539962 0.3621944 0.1010817 -0.3523745 7 B 0.3410595 -0.4348918 -0.3569724 -0.5496538 -0.3614936 0.1539962 -0.3621944 0.1010817 -0.3523745 8 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 0.5134075 0.0000000 0.3661661 0.3813404 9 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 -0.1604494 0.0000000 0.0207316 -0.6362876 10 B -0.2663288 0.0294475 -0.3184924 0.0244183 -0.6752665 0.0304949 -0.2129625 0.0547007 -0.1174204 11 B -0.2663288 -0.0294475 0.3184924 -0.0244183 -0.6752665 0.0304949 0.2129625 0.0547007 -0.1174204 12 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 -0.5134075 0.0000000 -0.3661661 0.3813404 13 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 -0.0751284 0.0000000 -0.0687814 -1.2924248 14 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 0.1604494 0.0000000 -0.0207316 -0.6362876 15 B 0.3410595 -0.4348918 0.3569724 -0.5496538 -0.3614936 -0.1539962 0.3621944 -0.1010817 -0.3523745 16 B 0.3410595 0.4348918 -0.3569724 0.5496538 -0.3614936 -0.1539962 -0.3621944 -0.1010817 -0.3523745 17 B -0.2663288 0.0294475 0.3184924 0.0244183 -0.6752665 -0.0304949 0.2129625 -0.0547007 -0.1174204 18 B -0.2663288 -0.0294475 -0.3184924 -0.0244183 -0.6752665 -0.0304949 -0.2129625 -0.0547007 -0.1174204 19 B -0.2663288 -0.0294475 -0.3184924 -0.0244183 -0.6752665 -0.0304949 -0.2129625 -0.0547007 -0.1174204 20 B -0.2663288 0.0294475 0.3184924 0.0244183 -0.6752665 -0.0304949 0.2129625 -0.0547007 -0.1174204 21 B 0.3410595 0.4348918 -0.3569724 0.5496538 -0.3614936 -0.1539962 -0.3621944 -0.1010817 -0.3523745 22 B 0.3410595 -0.4348918 0.3569724 -0.5496538 -0.3614936 -0.1539962 0.3621944 -0.1010817 -0.3523745 23 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 0.1604494 0.0000000 -0.0207316 -0.6362876 24 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 -0.0751284 0.0000000 -0.0687814 -1.2924248 25 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 -0.5134075 0.0000000 -0.3661661 0.3813404 26 B -0.2663288 -0.0294475 0.3184924 -0.0244183 -0.6752665 0.0304949 0.2129625 0.0547007 -0.1174204 27 B -0.2663288 0.0294475 -0.3184924 0.0244183 -0.6752665 0.0304949 -0.2129625 0.0547007 -0.1174204 28 B -0.5378333 0.0000000 0.0000000 0.0000000 0.0498946 -0.1604494 0.0000000 0.0207316 -0.6362876 29 B -0.5879394 0.0000000 0.0000000 0.0000000 -0.4706664 0.5134075 0.0000000 0.3661661 0.3813404 30 B 0.3410595 -0.4348918 -0.3569724 -0.5496538 -0.3614936 0.1539962 -0.3621944 0.1010817 -0.3523745 31 B 0.3410595 0.4348918 0.3569724 0.5496538 -0.3614936 0.1539962 0.3621944 0.1010817 -0.3523745 32 B -1.3323283 0.0000000 0.0000000 0.0000000 -0.4029707 0.0751284 0.0000000 0.0687814 -1.2924248 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyx) -0.00000002 (yyx) -0.00000002 (yxy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 2 240 ] Grid generation matrix: [ 0 8 8 ] [ 5 0 5 ] [ 6 6 0 ] 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: 0.66, Number of G-points: 301, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 96 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 1.620 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.474 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 0.000 0.000) 0.000 13.163 ( 0.000 0.000 0.000) 0.000 13.967 ( 0.000 0.000 0.000) 0.000 14.591 ( 0.000 0.000 0.000) 0.000 14.656 ( 0.000 0.000 0.000) 0.000 14.843 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 16.050 ( 0.000 0.000 0.000) 0.000 16.133 ( 0.000 0.000 0.000) 0.000 16.247 ( 0.000 0.000 0.000) 0.000 16.595 ( 0.000 0.000 0.000) 0.000 16.731 ( 0.000 0.000 0.000) 0.000 16.943 ( 0.000 0.000 0.000) 0.000 16.958 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 17.759 ( 0.000 0.000 0.000) 0.000 17.778 ( 0.000 0.000 0.000) 0.000 17.855 ( 0.000 0.000 0.000) 0.000 18.119 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 0.000) 0.000 18.224 ( 0.000 0.000 0.000) 0.000 18.453 ( 0.000 0.000 0.000) 0.000 18.706 ( 0.000 0.000 0.000) 0.000 19.341 ( 0.000 0.000 0.000) 0.000 19.416 ( 0.000 0.000 0.000) 0.000 19.794 ( 0.000 0.000 0.000) 0.000 20.282 ( 0.000 0.000 0.000) 0.000 20.302 ( 0.000 0.000 0.000) 0.000 20.744 ( 0.000 0.000 0.000) 0.000 20.745 ( 0.000 0.000 0.000) 0.000 20.877 ( 0.000 0.000 0.000) 0.000 20.915 ( 0.000 0.000 0.000) 0.000 21.048 ( 0.000 0.000 0.000) 0.000 21.174 ( 0.000 0.000 0.000) 0.000 21.510 ( 0.000 0.000 0.000) 0.000 21.512 ( 0.000 0.000 0.000) 0.000 21.712 ( 0.000 0.000 0.000) 0.000 21.799 ( 0.000 0.000 0.000) 0.000 21.951 ( 0.000 0.000 0.000) 0.000 22.197 ( 0.000 0.000 0.000) 0.000 22.211 ( 0.000 0.000 0.000) 0.000 22.598 ( 0.000 0.000 0.000) 0.000 22.640 ( 0.000 0.000 0.000) 0.000 22.832 ( 0.000 0.000 0.000) 0.000 23.294 ( 0.000 0.000 0.000) 0.000 23.411 ( 0.000 0.000 0.000) 0.000 23.708 ( 0.000 0.000 0.000) 0.000 23.827 ( 0.000 0.000 0.000) 0.000 23.872 ( 0.000 0.000 0.000) 0.000 23.928 ( 0.000 0.000 0.000) 0.000 24.038 ( 0.000 0.000 0.000) 0.000 24.076 ( 0.000 0.000 0.000) 0.000 24.160 ( 0.000 0.000 0.000) 0.000 24.423 ( 0.000 0.000 0.000) 0.000 24.941 ( 0.000 0.000 0.000) 0.000 25.166 ( 0.000 0.000 0.000) 0.000 25.581 ( 0.000 0.000 0.000) 0.000 25.656 ( 0.000 0.000 0.000) 0.000 26.453 ( 0.000 0.000 0.000) 0.000 26.824 ( 0.000 0.000 0.000) 0.000 26.824 ( 0.000 0.000 0.000) 0.000 27.111 ( 0.000 0.000 0.000) 0.000 27.418 ( 0.000 0.000 0.000) 0.000 27.471 ( 0.000 0.000 0.000) 0.000 27.834 ( 0.000 0.000 0.000) 0.000 28.307 ( 0.000 0.000 0.000) 0.000 28.739 ( 0.000 0.000 0.000) 0.000 28.941 ( 0.000 0.000 0.000) 0.000 29.052 ( 0.000 0.000 0.000) 0.000 29.383 ( 0.000 0.000 0.000) 0.000 29.671 ( 0.000 0.000 0.000) 0.000 29.871 ( 0.000 0.000 0.000) 0.000 30.135 ( 0.000 0.000 0.000) 0.000 30.193 ( 0.000 0.000 0.000) 0.000 30.209 ( 0.000 0.000 0.000) 0.000 31.003 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 0.000 -0.000 0.000) 0.000 3.520 ( 0.000 -0.000 -0.000) 0.000 4.501 ( -0.000 0.000 0.000) 0.000 4.534 ( 0.000 -0.000 0.000) 0.000 5.954 ( 0.000 -0.000 -0.000) 0.000 6.174 ( 0.000 -0.000 0.000) 0.000 6.756 ( 0.000 -0.000 0.000) 0.000 7.046 ( 0.000 -0.000 0.000) 0.000 7.563 ( 0.000 -0.000 0.000) 0.000 8.452 ( 0.000 -0.000 0.000) 0.000 8.474 ( -0.000 0.000 -0.000) 0.000 9.491 ( 0.000 -0.000 0.000) 0.000 9.572 ( 0.000 -0.000 0.000) 0.000 10.113 ( 0.000 -0.000 0.000) 0.000 10.363 ( 0.000 -0.000 0.000) 0.000 10.651 ( 0.000 -0.000 0.000) 0.000 11.243 ( 0.000 -0.000 0.000) 0.000 11.649 ( 0.000 -0.000 0.000) 0.000 11.767 ( 0.000 -0.000 0.000) 0.000 13.115 ( 0.000 -0.000 0.000) 0.000 13.179 ( -0.000 0.000 -0.000) 0.000 13.233 ( 0.000 -0.000 0.000) 0.000 13.635 ( 0.000 -0.000 0.000) 0.000 14.340 ( 0.000 -0.000 -0.000) 0.000 15.347 ( 0.000 -0.000 0.000) 0.000 15.521 ( 0.000 -0.000 0.000) 0.000 15.616 ( 0.000 -0.000 0.000) 0.000 15.617 ( 0.000 -0.000 0.000) 0.000 16.348 ( 0.000 -0.000 0.000) 0.000 16.662 ( 0.000 -0.000 0.000) 0.000 16.838 ( 0.000 -0.000 0.000) 0.000 16.891 ( 0.000 -0.000 0.000) 0.000 17.276 ( 0.000 0.000 -0.000) 0.000 17.358 ( 0.000 -0.000 0.000) 0.000 17.364 ( 0.000 -0.000 0.000) 0.000 17.525 ( -0.000 0.000 0.000) 0.000 17.666 ( 0.000 -0.000 0.000) 0.000 17.976 ( 0.000 -0.000 0.000) 0.000 17.979 ( 0.000 -0.000 0.000) 0.000 18.113 ( 0.000 -0.000 0.000) 0.000 18.141 ( 0.000 -0.000 -0.000) 0.000 18.850 ( 0.000 -0.000 0.000) 0.000 19.015 ( 0.000 -0.000 0.000) 0.000 19.420 ( 0.000 -0.000 0.000) 0.000 19.587 ( 0.000 -0.000 -0.000) 0.000 19.849 ( -0.000 0.000 0.000) 0.000 19.899 ( 0.000 -0.000 0.000) 0.000 20.009 ( 0.000 -0.000 -0.000) 0.000 20.152 ( -0.000 0.000 -0.000) 0.000 20.185 ( 0.000 -0.000 0.000) 0.000 20.430 ( 0.000 -0.000 0.000) 0.000 20.539 ( 0.000 -0.000 0.000) 0.000 20.778 ( -0.000 -0.000 0.000) 0.000 20.903 ( 0.000 -0.000 0.000) 0.000 21.404 ( 0.000 -0.000 0.000) 0.000 21.439 ( 0.000 -0.000 0.000) 0.000 21.550 ( 0.000 -0.000 -0.000) 0.000 21.728 ( 0.000 -0.000 0.000) 0.000 21.943 ( 0.000 -0.000 0.000) 0.000 22.507 ( -0.000 0.000 -0.000) 0.000 22.557 ( 0.000 -0.000 0.000) 0.000 22.670 ( 0.000 -0.000 0.000) 0.000 22.838 ( 0.000 -0.000 0.000) 0.000 22.907 ( 0.000 -0.000 0.000) 0.000 23.059 ( 0.000 -0.000 0.000) 0.000 23.111 ( -0.000 -0.000 0.000) 0.000 23.312 ( 0.000 -0.000 0.000) 0.000 23.442 ( 0.000 -0.000 0.000) 0.000 23.894 ( 0.000 -0.000 0.000) 0.000 24.205 ( 0.000 -0.000 0.000) 0.000 24.242 ( 0.000 -0.000 -0.000) 0.000 24.342 ( 0.000 -0.000 0.000) 0.000 24.398 ( 0.000 -0.000 0.000) 0.000 24.633 ( 0.000 -0.000 0.000) 0.000 24.767 ( 0.000 -0.000 0.000) 0.000 24.938 ( 0.000 -0.000 0.000) 0.000 25.107 ( 0.000 -0.000 0.000) 0.000 25.438 ( 0.000 -0.000 0.000) 0.000 26.595 ( 0.000 -0.000 0.000) 0.000 27.038 ( 0.000 -0.000 0.000) 0.000 27.054 ( 0.000 -0.000 0.000) 0.000 27.089 ( 0.000 -0.000 0.000) 0.000 27.179 ( 0.000 -0.000 0.000) 0.000 27.245 ( 0.000 -0.000 -0.000) 0.000 27.743 ( 0.000 -0.000 0.000) 0.000 28.043 ( 0.000 -0.000 0.000) 0.000 28.472 ( 0.000 -0.000 0.000) 0.000 28.838 ( 0.000 -0.000 0.000) 0.000 29.284 ( 0.000 -0.000 -0.000) 0.000 29.892 ( 0.000 -0.000 0.000) 0.000 29.916 ( 0.000 -0.000 -0.000) 0.000 29.937 ( 0.000 -0.000 0.000) 0.000 30.281 ( 0.000 -0.000 -0.000) 0.000 30.324 ( 0.000 -0.000 -0.000) 0.000 30.536 ( 0.000 -0.000 0.000) 0.000 30.793 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 3 (3/96) ======================= q-point: (-0.20 -0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -27.424 2.986 6.523) 28.346 3.694 ( -24.298 -13.718 -40.004) 48.774 4.272 ( -0.586 -7.686 -17.765) 19.365 4.355 ( -5.990 -11.831 -22.465) 26.087 4.483 ( -13.067 -15.304 -29.807) 35.964 5.482 ( -18.282 -3.324 -8.598) 20.474 5.894 ( -20.119 -21.832 -29.199) 41.641 6.245 ( -8.046 -8.549 -15.343) 19.319 6.356 ( -23.253 -17.513 -17.339) 33.883 6.966 ( -1.200 -5.070 -20.506) 21.158 8.433 ( -5.240 15.716 -26.660) 31.388 9.072 ( 3.231 3.438 11.208) 12.161 9.546 ( -10.711 26.484 35.281) 45.397 10.015 ( -1.815 5.658 7.810) 9.813 10.213 ( 6.796 2.244 1.571) 7.328 10.908 ( -3.605 -25.399 8.679) 27.082 11.071 ( -2.763 -30.944 18.555) 36.187 11.900 ( 20.191 11.158 1.174) 23.099 12.142 ( 23.337 -2.096 -1.740) 23.496 12.862 ( -21.119 14.826 13.067) 28.924 13.037 ( -10.171 21.525 8.147) 25.162 13.291 ( -10.745 19.047 8.186) 23.351 13.394 ( 0.824 0.310 29.208) 29.221 13.897 ( 3.600 20.647 12.038) 24.170 15.055 ( -1.976 -5.142 4.643) 7.204 15.230 ( 0.420 -5.490 -7.859) 9.596 15.475 ( 2.553 -9.616 2.565) 10.275 16.188 ( 5.705 2.854 -5.755) 8.591 16.561 ( -5.156 1.819 -2.186) 5.888 16.733 ( -1.405 -5.620 -8.877) 10.600 16.820 ( 9.042 1.995 -0.901) 9.303 17.024 ( -2.511 -1.835 -5.317) 6.160 17.110 ( 0.792 -3.898 -0.510) 4.011 17.296 ( 1.238 -0.348 0.130) 1.292 17.460 ( -0.006 -11.372 2.755) 11.701 17.506 ( 12.488 -1.197 -13.115) 18.149 17.814 ( -2.524 -0.319 -3.833) 4.601 18.087 ( -9.848 2.347 -5.629) 11.583 18.141 ( -10.424 3.367 -3.334) 11.451 18.389 ( 0.747 -3.963 -0.479) 4.061 18.510 ( -5.264 -10.714 -7.442) 14.066 18.714 ( -0.540 0.894 -4.083) 4.214 18.909 ( -2.867 8.257 -2.424) 9.070 19.053 ( 13.312 -2.847 12.511) 18.489 19.236 ( -9.307 -3.995 -4.113) 10.931 19.541 ( -12.404 1.933 13.888) 18.721 19.815 ( 5.289 -10.223 15.784) 19.535 19.906 ( -8.306 1.925 17.893) 19.820 20.125 ( -3.229 0.556 -6.578) 7.349 20.479 ( 5.962 -1.392 0.966) 6.198 20.892 ( 6.159 -2.994 0.670) 6.881 21.034 ( 3.088 2.999 -6.634) 7.908 21.214 ( 5.112 0.536 6.483) 8.274 21.358 ( 5.647 7.888 -3.319) 10.252 21.533 ( 1.033 14.331 0.367) 14.373 21.705 ( 6.524 -6.362 -3.200) 9.658 21.798 ( 7.345 8.454 -6.724) 13.063 21.860 ( 5.366 2.673 -5.035) 7.829 21.999 ( 4.461 1.876 -1.869) 5.188 22.214 ( 5.308 -0.806 3.021) 6.160 22.352 ( 5.049 6.253 -7.741) 11.159 22.389 ( 3.080 8.779 -1.109) 9.370 22.872 ( -5.977 4.761 -0.721) 7.675 23.085 ( 1.322 -4.859 3.623) 6.204 23.168 ( -0.809 -2.646 6.202) 6.791 23.382 ( -2.122 -5.908 -13.010) 14.445 23.527 ( 2.486 -4.157 2.981) 5.687 23.869 ( 2.019 0.410 -5.101) 5.501 23.921 ( 1.515 -3.121 2.478) 4.264 24.043 ( -3.636 0.156 -7.253) 8.115 24.064 ( -5.959 -0.662 2.037) 6.332 24.111 ( -3.057 -2.032 0.119) 3.673 24.238 ( -7.395 -7.132 3.074) 10.724 24.539 ( -3.216 -1.996 -2.969) 4.811 24.789 ( 14.131 2.185 14.750) 20.543 25.063 ( 4.872 2.347 1.790) 5.697 25.380 ( 2.749 1.592 -6.095) 6.873 25.412 ( 4.880 -4.073 0.472) 6.374 26.628 ( -6.980 -1.252 -1.196) 7.191 26.814 ( -2.754 1.209 -0.271) 3.020 26.923 ( 2.512 -1.424 -0.654) 2.961 27.227 ( -0.357 0.564 0.523) 0.848 27.386 ( 2.430 -0.953 1.576) 3.049 27.429 ( 2.729 2.463 1.379) 3.926 27.952 ( 5.826 -2.326 -6.725) 9.197 28.460 ( 2.250 1.410 -0.271) 2.669 28.539 ( 4.281 -1.025 3.317) 5.512 28.775 ( -2.119 2.570 1.261) 3.562 29.156 ( -3.749 -2.887 -1.703) 5.029 29.482 ( -3.878 2.661 -1.694) 4.999 29.716 ( -3.595 -5.521 2.367) 7.000 29.960 ( -1.248 4.144 -1.788) 4.683 30.164 ( -2.744 0.365 0.939) 2.923 30.259 ( 0.108 0.698 -1.497) 1.656 30.341 ( -4.513 -1.806 -3.496) 5.988 30.879 ( 1.079 0.633 3.950) 4.143 ======================= Grid point 4 (4/96) ======================= q-point: (-0.20 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 17.897 7.817 -13.114) 23.524 3.718 ( -16.227 -2.184 0.479) 16.380 4.324 ( 10.644 -9.936 1.646) 14.654 4.485 ( 6.257 -0.286 2.251) 6.656 5.383 ( 36.025 -13.086 14.378) 40.937 6.193 ( 7.171 2.198 5.673) 9.404 6.376 ( 8.799 -6.594 8.691) 14.015 6.650 ( 44.831 -9.823 7.353) 46.480 6.877 ( 9.694 -1.216 -4.746) 10.861 7.967 ( 31.565 -3.291 -5.892) 32.278 8.751 ( -15.772 -8.483 3.419) 18.232 9.255 ( 3.053 9.745 15.428) 18.501 9.610 ( -4.125 6.559 -2.749) 8.221 9.742 ( 52.158 -9.596 20.153) 56.734 10.309 ( -31.771 -10.735 3.718) 33.741 11.060 ( -10.498 -6.750 -1.229) 12.541 11.121 ( 14.071 3.740 -7.261) 16.270 11.349 ( -2.689 2.949 -1.591) 4.296 12.006 ( 4.469 -10.528 -19.326) 22.457 12.927 ( -8.787 29.734 -6.324) 31.644 13.236 ( -15.502 16.930 -8.399) 24.444 13.667 ( -0.375 6.162 -10.271) 11.983 13.825 ( 9.090 8.599 -1.573) 12.611 13.978 ( 1.944 -11.693 6.318) 13.432 14.909 ( -1.029 -2.685 12.979) 13.294 15.469 ( 0.429 4.797 13.792) 14.608 15.872 ( 6.050 -15.946 -8.572) 19.088 15.994 ( 11.783 1.458 -12.831) 17.481 16.372 ( -21.959 -0.770 -7.790) 23.312 16.687 ( 0.286 -3.030 6.158) 6.869 16.878 ( -3.693 -1.397 -2.490) 4.668 17.106 ( -0.380 2.188 2.426) 3.289 17.199 ( -2.635 -10.696 -1.089) 11.070 17.367 ( 2.886 -7.413 -7.506) 10.936 17.379 ( -4.693 10.582 1.146) 11.633 17.697 ( 23.774 2.544 -5.233) 24.476 17.744 ( 12.216 -4.271 -5.765) 14.167 18.005 ( -11.118 -1.992 -1.726) 11.426 18.438 ( -0.838 3.655 -4.650) 5.974 18.529 ( 8.727 6.462 10.228) 14.918 18.636 ( -3.369 6.748 5.383) 9.266 18.691 ( -5.797 1.929 9.510) 11.304 18.956 ( 13.376 0.221 4.078) 13.986 19.062 ( -15.496 -6.445 6.195) 17.889 19.263 ( -11.182 -2.886 3.856) 12.175 19.482 ( 4.779 9.009 -12.503) 16.135 19.594 ( -19.581 -8.090 -16.947) 27.130 19.984 ( 4.152 0.528 0.067) 4.186 20.099 ( -13.130 1.773 8.046) 15.501 20.247 ( -3.932 2.273 4.440) 6.352 20.416 ( -2.025 1.342 6.923) 7.337 20.632 ( -2.850 -16.061 -0.334) 16.316 20.791 ( 0.877 -2.068 4.349) 4.895 21.058 ( -11.070 10.676 0.861) 15.403 21.345 ( 1.201 8.375 10.447) 13.443 21.604 ( -0.272 8.033 -6.753) 10.498 21.659 ( 6.255 -3.416 0.505) 7.145 21.751 ( 1.957 -0.717 -2.756) 3.455 21.896 ( -0.558 -3.812 -5.211) 6.481 22.284 ( 5.951 3.133 -4.226) 7.943 22.436 ( 4.324 6.702 -0.588) 7.998 22.637 ( 12.604 1.824 -2.082) 12.904 22.970 ( -4.645 1.747 0.928) 5.049 23.128 ( -1.196 -4.823 -2.443) 5.537 23.151 ( -2.450 -0.279 -4.168) 4.843 23.272 ( -8.667 -1.769 -0.002) 8.845 23.366 ( -10.773 -4.181 4.451) 12.383 23.610 ( 2.036 -2.303 -4.661) 5.583 23.918 ( 3.272 1.079 3.624) 5.000 24.089 ( 2.611 -0.667 8.492) 8.910 24.199 ( -3.192 -4.242 3.756) 6.503 24.257 ( -4.430 0.729 -5.070) 6.772 24.410 ( 3.422 -2.382 -0.217) 4.175 24.532 ( 1.850 -2.315 -5.771) 6.488 24.616 ( -0.364 -0.975 3.151) 3.318 24.844 ( -2.229 3.417 2.600) 4.838 24.948 ( -1.780 -4.882 5.910) 7.869 25.320 ( 0.745 5.278 3.644) 6.457 26.792 ( -1.436 -1.230 -1.411) 2.359 26.902 ( 1.131 1.329 0.395) 1.790 26.962 ( 2.737 -1.872 -0.086) 3.317 27.033 ( -1.528 -0.620 3.172) 3.576 27.370 ( -2.935 -2.260 -6.558) 7.532 27.600 ( 1.020 5.346 -4.317) 6.946 27.789 ( 2.343 -3.123 -6.514) 7.595 28.242 ( -7.835 3.202 -0.719) 8.494 28.409 ( -1.200 -2.255 2.715) 3.728 28.654 ( -3.357 3.146 4.217) 6.241 29.299 ( 2.999 -6.408 1.732) 7.284 29.659 ( 5.512 4.475 3.075) 7.737 29.897 ( 1.835 -3.149 -0.465) 3.674 29.959 ( -1.416 -0.318 -0.194) 1.464 30.237 ( 1.942 0.003 0.440) 1.991 30.346 ( 1.607 2.112 -1.443) 3.021 30.616 ( 7.964 1.172 -0.634) 8.074 30.803 ( -5.690 -0.055 -1.513) 5.888 ======================= Grid point 5 (5/96) ======================= q-point: ( 0.59 -0.26 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -26.122 -3.388 -3.222) 26.537 4.111 ( 12.240 2.118 -1.750) 12.545 4.293 ( -2.081 1.036 -2.909) 3.723 4.900 ( 3.427 9.128 3.053) 10.217 5.801 ( -17.866 -3.449 -4.729) 18.800 5.915 ( -11.619 7.288 5.094) 14.631 6.522 ( -5.714 9.065 8.420) 13.628 6.899 ( 0.467 14.819 1.098) 14.867 7.058 ( -14.970 15.039 20.029) 29.179 7.957 ( -10.754 -0.077 23.095) 25.476 8.457 ( -27.473 -3.936 -34.999) 44.667 8.868 ( -7.675 -7.741 -19.872) 22.665 9.655 ( -21.206 14.758 24.056) 35.302 10.005 ( 5.748 2.418 5.681) 8.436 10.169 ( -19.354 -4.258 -4.232) 20.264 10.703 ( 14.078 -15.437 2.219) 21.010 11.451 ( 3.238 -7.147 3.241) 8.489 11.743 ( -2.796 -21.099 -1.310) 21.324 11.835 ( 2.762 13.468 1.775) 13.863 12.506 ( 8.848 12.382 1.038) 15.254 12.827 ( -18.086 -5.373 -2.064) 18.980 13.097 ( 6.755 3.459 -23.389) 24.590 13.369 ( -10.044 20.154 -9.032) 24.262 13.689 ( -24.340 -5.824 -17.213) 30.375 15.146 ( 1.607 5.754 -4.400) 7.420 15.518 ( -0.157 2.438 -2.626) 3.587 15.802 ( 2.074 -15.466 6.988) 17.098 16.022 ( 3.836 -7.661 -2.231) 8.854 16.210 ( -7.746 3.792 1.506) 8.755 16.651 ( 5.498 -1.685 3.996) 7.002 16.798 ( -0.653 4.762 -2.919) 5.624 17.118 ( 12.797 3.328 -1.289) 13.286 17.225 ( 0.546 2.814 2.007) 3.499 17.291 ( 0.868 -6.299 1.829) 6.616 17.373 ( 1.303 -0.050 2.295) 2.639 17.683 ( 7.016 -6.990 6.334) 11.756 17.808 ( -3.070 -4.716 -0.933) 5.704 18.004 ( 6.912 0.063 -8.947) 11.306 18.144 ( -4.415 4.050 11.348) 12.832 18.489 ( -5.677 -9.032 -4.621) 11.626 18.627 ( -4.295 -2.981 5.982) 7.944 18.763 ( 1.184 6.435 2.815) 7.123 18.924 ( -0.430 -3.113 -3.272) 4.536 19.157 ( 1.063 -9.499 5.035) 10.803 19.324 ( -7.248 0.442 7.000) 10.087 19.703 ( -7.888 -5.228 9.213) 13.207 19.729 ( 10.820 -2.608 7.526) 13.436 19.997 ( 3.902 -5.521 -9.042) 11.290 20.081 ( -4.330 2.579 -3.220) 5.981 20.561 ( 10.844 5.187 3.885) 12.633 20.610 ( -3.760 6.444 -7.797) 10.791 20.743 ( 17.478 9.188 -1.166) 19.780 21.056 ( 1.778 -0.300 0.282) 1.825 21.158 ( -1.579 -1.336 -1.978) 2.862 21.254 ( 4.950 -4.808 4.116) 8.035 21.514 ( 3.129 0.280 5.932) 6.712 21.710 ( 0.625 2.278 6.465) 6.883 21.833 ( 0.489 -0.530 -0.228) 0.756 21.886 ( -2.568 -1.930 3.332) 4.628 22.046 ( 1.296 2.489 -6.051) 6.670 22.169 ( 3.056 5.064 -1.754) 6.169 22.239 ( -2.150 -0.861 0.449) 2.359 22.932 ( -4.285 0.275 -1.509) 4.551 23.103 ( 1.994 -0.156 -1.378) 2.429 23.250 ( 0.210 -0.852 -4.953) 5.030 23.469 ( 8.404 -0.717 -1.446) 8.558 23.707 ( -0.241 3.269 7.415) 8.108 23.762 ( 1.504 -0.711 2.030) 2.624 23.842 ( 4.493 -3.579 -2.268) 6.175 24.138 ( -4.896 -4.337 -2.663) 7.062 24.232 ( -2.251 1.502 3.594) 4.499 24.316 ( -0.622 2.719 -2.404) 3.682 24.341 ( 8.311 -2.198 -3.413) 9.249 24.497 ( -6.493 -0.528 -0.182) 6.517 24.759 ( 2.791 3.796 1.093) 4.836 24.902 ( 1.671 0.490 -2.406) 2.970 25.147 ( 0.718 -5.366 5.720) 7.876 25.551 ( 10.214 10.057 -2.226) 14.506 26.748 ( -1.502 -3.539 -1.196) 4.026 26.916 ( -4.405 3.141 -0.508) 5.433 26.972 ( 1.337 2.331 2.397) 3.601 27.158 ( 1.603 -3.507 -0.863) 3.951 27.178 ( 1.618 -1.146 -3.237) 3.796 27.467 ( 5.141 4.823 -8.313) 10.899 27.975 ( 3.962 3.725 2.694) 6.069 28.197 ( 8.714 -3.691 -5.607) 11.000 28.606 ( 2.226 -1.055 2.704) 3.658 28.649 ( -0.126 1.154 3.662) 3.841 29.352 ( -5.810 -5.298 1.508) 8.006 29.537 ( -7.340 5.098 2.401) 9.254 29.825 ( -4.454 -4.720 1.186) 6.597 29.976 ( -0.230 0.946 -0.365) 1.039 30.217 ( -3.720 2.538 -1.021) 4.617 30.287 ( 0.503 1.637 -1.414) 2.221 30.439 ( -3.356 -0.976 2.125) 4.090 30.827 ( 0.957 -0.309 -2.452) 2.650 ======================= Grid point 6 (6/96) ======================= q-point: (-0.41 0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 28.136 11.261 8.795) 31.556 4.053 ( -7.983 -4.259 -2.825) 9.479 4.317 ( 3.271 -4.711 3.157) 6.547 4.451 ( 21.201 -25.754 -3.798) 33.573 5.051 ( 35.765 -37.228 -24.334) 57.072 5.758 ( 18.564 -4.020 -9.025) 21.029 6.211 ( 16.036 -3.228 -4.627) 17.000 6.468 ( 6.710 -14.723 -5.176) 16.988 6.773 ( 4.636 -3.363 -1.431) 5.904 7.488 ( 25.334 -13.106 -5.815) 29.110 8.218 ( 69.887 -25.457 -30.966) 80.567 9.168 ( -5.380 0.483 3.666) 6.528 9.533 ( -12.308 10.850 13.331) 21.141 9.931 ( -19.799 1.563 0.654) 19.871 10.580 ( 19.444 3.374 14.674) 24.592 10.871 ( -17.492 7.072 1.150) 18.903 11.425 ( -10.149 2.634 -7.864) 13.107 11.687 ( -10.587 -22.628 7.232) 26.008 11.974 ( -5.229 15.491 -0.768) 16.368 12.507 ( -0.761 24.587 -3.742) 24.882 13.103 ( 5.157 2.647 9.373) 11.021 13.219 ( 20.164 13.555 5.882) 24.998 13.812 ( -13.140 0.902 23.782) 27.185 14.095 ( 7.516 0.505 5.447) 9.296 15.044 ( -8.670 -7.824 -1.044) 11.725 15.381 ( -0.122 -3.095 -5.703) 6.489 15.868 ( -2.456 3.780 -0.133) 4.509 16.058 ( 10.675 -14.411 5.499) 18.758 16.471 ( -7.355 17.387 7.336) 20.254 16.691 ( 11.875 -2.206 -5.141) 13.127 16.767 ( 7.334 10.191 -0.915) 12.589 17.003 ( -8.831 -4.982 -1.367) 10.231 17.152 ( 9.538 -4.156 8.754) 13.597 17.337 ( 10.649 -6.104 -0.762) 12.298 17.389 ( -10.199 3.892 -1.313) 10.995 17.635 ( -7.143 -1.364 -0.528) 7.292 17.820 ( 2.181 0.459 4.064) 4.635 18.080 ( 7.658 5.248 -10.676) 14.148 18.186 ( 1.508 4.208 -2.742) 5.244 18.405 ( 3.248 -9.705 -6.180) 11.955 18.553 ( 8.263 -0.671 -3.161) 8.873 18.637 ( 16.252 -5.844 -12.016) 21.040 18.947 ( -8.679 4.374 11.211) 14.838 19.034 ( 1.243 4.856 4.684) 6.861 19.266 ( -4.416 -4.309 -7.908) 10.030 19.719 ( -22.848 7.198 -8.015) 25.260 19.899 ( -5.045 -0.799 6.543) 8.301 19.978 ( 3.206 11.929 6.923) 14.160 20.257 ( -3.838 -2.270 4.330) 6.215 20.488 ( -12.436 1.046 -4.114) 13.140 20.513 ( -7.309 -1.683 -0.532) 7.519 20.743 ( -10.284 2.303 1.723) 10.679 21.040 ( -4.917 -3.721 -2.289) 6.577 21.164 ( -14.335 4.129 -13.582) 20.175 21.251 ( -3.229 -1.697 -8.279) 9.047 21.388 ( 5.631 7.259 0.804) 9.222 21.584 ( 8.553 -1.281 3.499) 9.329 21.772 ( 0.289 -4.748 2.024) 5.170 21.974 ( 3.738 -3.571 -1.791) 5.471 22.112 ( 6.631 11.903 3.250) 14.007 22.209 ( -0.214 0.192 4.570) 4.579 22.361 ( 6.960 4.706 2.703) 8.825 22.958 ( 2.393 1.114 0.270) 2.653 23.156 ( -0.922 -0.588 3.247) 3.426 23.286 ( -2.633 -3.414 1.472) 4.555 23.395 ( 4.206 -7.464 -6.841) 10.964 23.608 ( -7.396 2.917 3.384) 8.640 23.697 ( -3.263 -4.380 0.277) 5.469 23.887 ( -3.169 0.321 -2.672) 4.158 24.015 ( 4.695 -1.360 -7.725) 9.141 24.249 ( 4.709 -0.548 2.105) 5.187 24.355 ( 0.008 -0.989 5.646) 5.732 24.491 ( -6.714 0.325 -0.728) 6.761 24.559 ( -2.892 -2.342 1.942) 4.198 24.608 ( -2.754 -3.709 3.684) 5.909 24.884 ( -5.875 1.520 -4.646) 7.643 25.152 ( 1.186 6.607 -3.963) 7.795 25.347 ( -14.767 -11.840 -0.436) 18.932 26.822 ( 4.744 -0.191 1.429) 4.958 26.840 ( -0.212 -1.911 -1.466) 2.418 26.943 ( 1.648 -1.692 2.269) 3.275 27.103 ( -3.329 0.006 -4.279) 5.421 27.375 ( 2.100 4.320 4.066) 6.293 27.587 ( -2.553 -2.375 10.087) 10.673 27.839 ( -1.332 -4.800 -2.313) 5.492 28.349 ( -7.237 2.419 1.373) 7.753 28.481 ( -1.844 -1.582 -3.118) 3.953 28.673 ( -4.416 4.386 -0.882) 6.287 29.322 ( 7.078 -6.263 -1.961) 9.653 29.450 ( 4.884 4.721 -2.912) 7.390 29.907 ( 2.485 4.176 0.485) 4.884 29.941 ( 2.048 -3.545 0.470) 4.121 30.191 ( 2.975 -0.601 -0.195) 3.041 30.283 ( 1.070 -0.797 0.729) 1.521 30.428 ( 6.644 1.193 -0.929) 6.814 30.890 ( -2.697 0.676 2.189) 3.539 ======================= Grid point 7 (7/96) ======================= q-point: ( 0.39 -0.39 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -19.895 -12.575 -0.000) 23.536 3.792 ( 14.732 5.320 0.000) 15.663 4.437 ( -7.671 -1.658 0.000) 7.848 4.661 ( 4.632 17.619 0.000) 18.218 5.551 ( -31.623 20.988 0.000) 37.954 6.044 ( -9.846 -2.698 0.000) 10.209 6.525 ( -5.194 13.697 0.000) 14.649 6.681 ( -23.960 -3.675 0.000) 24.240 7.010 ( -28.382 11.892 0.000) 30.772 7.966 ( -29.271 -8.624 -0.000) 30.515 8.913 ( 23.048 12.020 0.000) 25.994 9.065 ( 8.301 2.604 0.000) 8.699 9.513 ( 13.957 -9.852 -0.000) 17.083 9.820 ( -61.158 23.015 0.000) 65.345 10.410 ( 18.475 1.725 -0.000) 18.555 11.159 ( -1.701 4.547 0.000) 4.855 11.164 ( -6.409 -11.027 -0.000) 12.754 11.566 ( 2.972 30.327 0.000) 30.472 11.958 ( -0.144 -21.250 -0.000) 21.250 12.427 ( 4.216 -27.158 -0.000) 27.483 13.337 ( 10.333 -15.783 -0.000) 18.864 13.438 ( 7.861 -2.046 -0.000) 8.123 13.891 ( -6.770 12.497 0.000) 14.213 14.059 ( -3.841 3.698 0.000) 5.332 14.838 ( 3.622 6.764 0.000) 7.673 15.248 ( 4.205 -3.004 -0.000) 5.168 16.069 ( -13.447 -6.628 -0.000) 14.992 16.340 ( -5.508 16.564 0.000) 17.456 16.458 ( 0.794 -14.543 -0.000) 14.565 16.541 ( 23.325 3.272 -0.000) 23.554 16.912 ( -10.904 -14.026 -0.000) 17.766 16.991 ( -5.540 2.571 0.000) 6.108 17.027 ( 14.970 -5.257 -0.000) 15.866 17.366 ( 12.029 3.053 -0.000) 12.410 17.598 ( -13.329 -6.115 -0.000) 14.665 17.896 ( -6.778 13.063 0.000) 14.717 17.899 ( -16.784 -1.378 0.000) 16.840 18.006 ( -4.913 0.499 0.000) 4.938 18.207 ( -9.968 -1.477 0.000) 10.077 18.328 ( 9.241 -9.025 -0.000) 12.917 18.594 ( -5.414 3.825 0.000) 6.628 18.688 ( 18.161 0.919 -0.000) 18.184 18.905 ( -0.561 5.141 0.000) 5.172 19.159 ( 14.656 -0.292 -0.000) 14.659 19.188 ( -18.325 13.284 0.000) 22.633 19.429 ( -13.760 -19.442 -0.000) 23.818 19.891 ( 8.810 -4.442 -0.000) 9.867 19.954 ( 9.152 -4.899 -0.000) 10.380 20.043 ( 12.790 13.466 0.000) 18.572 20.184 ( 11.816 -0.999 -0.000) 11.858 20.287 ( 1.914 -4.126 -0.000) 4.548 20.497 ( 15.442 -22.879 -0.000) 27.603 20.849 ( 4.052 7.575 0.000) 8.590 20.858 ( 2.002 5.387 0.000) 5.747 21.304 ( -7.371 7.863 0.000) 10.778 21.520 ( -3.771 -5.819 -0.000) 6.934 21.730 ( -2.548 3.886 0.000) 4.646 21.842 ( -1.251 1.025 0.000) 1.618 22.014 ( -1.939 5.571 0.000) 5.899 22.212 ( -1.332 -8.529 -0.000) 8.632 22.465 ( -10.056 1.514 0.000) 10.170 22.608 ( -12.949 -3.449 0.000) 13.401 22.932 ( 2.725 -0.803 -0.000) 2.841 23.180 ( 6.553 -0.813 -0.000) 6.603 23.207 ( 0.999 1.805 0.000) 2.063 23.274 ( 17.323 -0.704 -0.000) 17.337 23.456 ( -2.976 9.538 0.000) 9.992 23.675 ( 1.044 -1.386 -0.000) 1.735 23.908 ( -2.342 -0.244 0.000) 2.355 23.965 ( -3.997 3.019 0.000) 5.009 24.168 ( 8.233 -2.332 -0.000) 8.557 24.298 ( 5.246 -4.576 -0.000) 6.961 24.555 ( 2.454 9.657 0.000) 9.964 24.569 ( -4.437 -6.740 -0.000) 8.070 24.593 ( -2.625 5.569 0.000) 6.157 24.747 ( 0.670 -4.126 -0.000) 4.180 25.071 ( 8.707 13.557 0.000) 16.113 25.138 ( -1.052 -8.388 -0.000) 8.454 26.816 ( 0.138 1.082 0.000) 1.090 26.875 ( 0.807 -1.414 -0.000) 1.628 27.007 ( -0.491 1.240 0.000) 1.333 27.018 ( -0.877 1.450 0.000) 1.695 27.506 ( -4.694 -5.162 -0.000) 6.977 27.587 ( 5.879 6.987 0.000) 9.131 27.894 ( -4.049 -0.234 0.000) 4.056 28.168 ( 9.043 -2.677 -0.000) 9.431 28.421 ( 0.555 2.428 0.000) 2.491 28.549 ( 4.832 -3.822 -0.000) 6.161 29.423 ( -4.101 8.419 0.000) 9.365 29.523 ( -4.895 -6.168 -0.000) 7.875 29.944 ( -0.313 -1.676 -0.000) 1.705 29.955 ( 0.050 1.468 0.000) 1.469 30.256 ( -2.691 2.409 0.000) 3.612 30.320 ( -1.268 -1.543 -0.000) 1.997 30.583 ( -8.091 -2.645 -0.000) 8.512 30.828 ( 5.342 0.648 -0.000) 5.381 ======================= Grid point 8 (8/96) ======================= q-point: ( 0.39 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 20.089 -0.375 -0.588) 20.101 4.163 ( 3.930 0.098 3.658) 5.370 4.314 ( -8.093 -0.190 0.681) 8.124 5.030 ( 2.882 7.954 24.176) 25.613 5.193 ( 12.491 -4.521 -12.662) 18.351 5.662 ( 14.549 0.925 7.059) 16.198 6.543 ( 0.600 0.923 3.757) 3.915 6.779 ( 4.938 12.298 26.293) 29.444 7.054 ( 15.931 8.421 18.238) 25.638 7.529 ( -7.927 -3.401 -18.844) 20.725 8.238 ( 7.864 -2.625 4.645) 9.503 8.522 ( 1.871 -12.795 -22.481) 25.935 9.546 ( 38.049 7.039 33.998) 51.508 9.772 ( 0.142 0.255 0.830) 0.879 10.178 ( -4.402 -0.196 -1.429) 4.633 10.501 ( 11.723 -8.039 -33.206) 36.121 11.414 ( 6.068 25.521 -5.329) 26.769 11.697 ( -4.782 7.900 2.698) 9.620 12.265 ( -16.195 0.507 -10.573) 19.347 12.396 ( 11.316 -16.796 5.084) 20.881 12.713 ( -0.591 -14.041 -2.940) 14.358 12.779 ( 0.707 -0.815 7.303) 7.382 13.086 ( 15.331 -2.077 -1.070) 15.508 13.334 ( -5.150 -13.809 -6.034) 15.925 15.125 ( -0.770 2.450 1.464) 2.956 15.440 ( 0.024 4.547 3.049) 5.475 15.623 ( 8.757 1.977 2.503) 9.320 16.177 ( -7.115 0.292 -1.287) 7.236 16.434 ( -11.690 -8.531 -2.018) 14.612 16.644 ( 3.239 -2.615 0.218) 4.169 16.970 ( -9.629 2.034 -0.802) 9.874 17.053 ( 7.076 -0.786 0.134) 7.120 17.284 ( -8.864 3.257 2.360) 9.734 17.468 ( -4.428 9.236 1.164) 10.308 17.562 ( -4.449 5.778 2.733) 7.788 17.754 ( -7.448 -2.366 2.124) 8.098 17.987 ( -3.578 3.646 -5.783) 7.716 18.035 ( 16.937 -3.118 1.569) 17.293 18.065 ( -2.998 -5.875 2.055) 6.909 18.321 ( 2.814 -4.095 -2.204) 5.436 18.535 ( -4.635 1.183 -2.671) 5.479 18.736 ( -1.499 0.065 -2.734) 3.118 19.098 ( 5.467 7.290 4.640) 10.226 19.166 ( 9.351 6.635 5.715) 12.811 19.274 ( 17.038 -3.047 -4.496) 17.883 19.444 ( 5.024 7.754 -0.265) 9.244 19.566 ( 4.172 2.074 -8.791) 9.949 19.919 ( 0.461 14.769 3.453) 15.174 20.225 ( 4.052 -7.895 7.462) 11.595 20.452 ( -14.519 -0.655 -3.122) 14.865 20.786 ( -1.261 -14.287 -3.734) 14.821 21.027 ( -0.051 -4.647 1.356) 4.841 21.074 ( -5.426 3.599 -0.853) 6.567 21.230 ( -7.951 -6.715 -1.637) 10.536 21.371 ( 0.725 5.081 -0.416) 5.149 21.582 ( -2.498 -6.879 -1.917) 7.566 21.848 ( -0.231 3.911 -1.201) 4.097 21.926 ( 0.325 -1.316 1.599) 2.096 22.013 ( -8.212 0.726 -3.419) 8.925 22.096 ( -10.961 -3.329 -0.675) 11.475 22.323 ( -8.633 -0.157 -0.726) 8.665 22.417 ( -7.229 0.493 -3.278) 7.952 22.757 ( 7.181 -2.327 0.851) 7.597 23.104 ( 2.795 0.618 0.530) 2.911 23.169 ( -3.580 -0.237 1.884) 4.052 23.538 ( 0.840 0.405 0.052) 0.934 23.668 ( 4.102 1.128 3.728) 5.657 23.886 ( -4.221 2.908 -3.991) 6.497 23.983 ( 1.384 3.383 0.016) 3.656 24.096 ( 3.070 -1.082 2.919) 4.371 24.135 ( 2.122 0.065 3.984) 4.514 24.244 ( -3.294 0.188 -7.348) 8.055 24.277 ( -0.502 -1.097 10.269) 10.339 24.408 ( 2.694 -0.029 -4.754) 5.464 24.681 ( 4.932 1.534 1.331) 5.333 25.011 ( -7.190 -0.638 -0.343) 7.226 25.362 ( -5.195 7.316 -10.090) 13.503 25.537 ( -1.686 -7.756 11.967) 14.360 26.697 ( 3.549 2.289 1.835) 4.605 26.754 ( 5.001 -3.229 -1.043) 6.044 27.021 ( 0.248 2.229 2.894) 3.662 27.134 ( -2.956 -1.230 -3.064) 4.431 27.345 ( -4.384 2.608 -4.574) 6.852 27.434 ( -3.998 -4.229 5.567) 8.054 28.122 ( -5.815 0.720 3.102) 6.630 28.318 ( -8.216 -0.501 -3.051) 8.779 28.619 ( 2.612 2.551 2.063) 4.194 28.683 ( 1.709 -2.764 -2.469) 4.081 29.236 ( 5.528 2.392 0.257) 6.029 29.444 ( 3.882 -2.079 -0.388) 4.421 29.781 ( 3.792 6.807 -3.134) 8.399 29.922 ( 0.700 -6.135 3.471) 7.083 30.148 ( 2.294 0.543 -0.779) 2.482 30.269 ( -0.476 -1.150 1.146) 1.692 30.421 ( 1.627 0.626 0.538) 1.824 30.810 ( -0.144 -0.007 -0.785) 0.798 ======================= Grid point 9 (9/96) ======================= q-point: ( 0.18 -0.52 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 13.902 3.251 2.310) 14.463 3.550 ( -11.910 -3.782 5.880) 13.811 4.462 ( 3.380 1.385 -2.887) 4.656 4.581 ( -9.111 -1.773 4.367) 10.258 5.966 ( -4.919 7.398 -5.055) 10.222 6.234 ( 2.798 3.708 -0.469) 4.669 6.726 ( 1.252 -2.543 -4.956) 5.709 6.898 ( -9.567 -5.507 0.439) 11.047 7.745 ( -18.975 14.462 0.300) 23.860 8.387 ( -5.976 -0.619 -6.591) 8.918 8.553 ( 7.531 3.701 2.392) 8.726 9.206 ( -8.575 -7.444 -15.167) 18.947 9.557 ( -10.805 1.691 -1.821) 11.087 9.848 ( 24.220 -6.917 -10.894) 27.443 10.554 ( 17.730 7.253 12.017) 22.613 10.899 ( 20.631 10.710 10.215) 25.391 11.411 ( -3.250 13.246 -5.604) 14.745 11.560 ( -31.008 -10.081 -2.304) 32.687 11.904 ( -27.702 1.002 13.387) 30.783 12.658 ( -5.162 -32.410 3.566) 33.012 12.875 ( 21.782 -15.464 -0.862) 26.727 13.449 ( -2.257 -5.544 7.601) 9.675 13.883 ( 1.049 13.641 2.509) 13.909 14.177 ( -5.948 -7.046 -3.969) 10.039 15.252 ( -3.585 6.889 -14.907) 16.809 15.513 ( 11.019 -6.107 0.776) 12.623 15.781 ( 7.106 8.706 6.641) 13.054 15.838 ( -0.533 12.998 4.165) 13.660 16.249 ( -13.461 1.488 -6.186) 14.889 16.586 ( 12.836 -6.375 5.185) 15.241 16.804 ( -3.559 -2.349 -1.896) 4.666 17.031 ( 6.925 3.918 -3.429) 8.665 17.134 ( 9.063 -1.496 -11.385) 14.629 17.357 ( 1.908 5.816 1.575) 6.320 17.437 ( -7.890 2.603 4.688) 9.540 17.590 ( 4.030 5.712 7.359) 10.150 17.866 ( 6.202 -2.498 8.923) 11.151 17.947 ( 3.894 2.956 0.666) 4.934 18.019 ( -3.105 -0.869 8.862) 9.430 18.277 ( 12.051 3.937 8.160) 15.077 18.412 ( 1.615 1.610 15.097) 15.269 18.716 ( 2.475 -5.554 -1.688) 6.311 18.969 ( 5.171 1.374 -3.822) 6.576 19.216 ( -6.309 0.144 -14.298) 15.628 19.428 ( -2.262 1.546 -13.495) 13.770 19.689 ( -2.972 -4.338 0.921) 5.338 19.733 ( -22.456 -7.727 -17.535) 29.521 19.957 ( 4.250 2.597 -9.097) 10.371 20.211 ( -3.978 0.534 3.941) 5.624 20.294 ( 6.001 2.508 -3.776) 7.521 20.380 ( 4.466 -3.512 -1.189) 5.805 20.592 ( 0.235 9.445 6.667) 11.563 20.831 ( -4.823 -4.677 1.913) 6.986 20.943 ( 1.074 5.825 -3.821) 7.048 21.378 ( 3.694 -4.717 1.578) 6.195 21.474 ( -0.863 -4.767 5.013) 6.971 21.643 ( -2.470 0.504 7.837) 8.232 21.797 ( -3.036 1.631 2.079) 4.024 21.872 ( 2.747 -2.516 -7.008) 7.936 22.321 ( -4.905 -7.788 9.728) 13.392 22.451 ( -0.423 -9.923 0.038) 9.932 22.577 ( 8.068 -5.948 5.339) 11.357 22.898 ( 0.326 2.720 -2.705) 3.850 23.016 ( 1.235 4.517 2.258) 5.199 23.075 ( 3.219 -0.942 -0.063) 3.355 23.236 ( -2.965 -1.586 -3.051) 4.541 23.319 ( -1.059 13.038 -0.121) 13.082 23.575 ( -4.943 3.427 6.473) 8.836 23.950 ( 1.829 2.459 1.965) 3.641 24.121 ( 2.250 -4.596 -0.158) 5.120 24.244 ( 0.278 1.112 -5.589) 5.706 24.344 ( 0.808 -0.834 -5.025) 5.157 24.401 ( 0.987 5.315 3.094) 6.229 24.585 ( -5.257 2.251 -8.467) 10.218 24.664 ( 1.069 -0.170 -1.442) 1.802 24.927 ( -2.137 -4.796 -1.333) 5.417 25.077 ( -0.803 3.045 -4.497) 5.490 25.387 ( -1.618 -4.731 -0.868) 5.075 26.684 ( 1.638 3.913 3.784) 5.684 26.933 ( 0.772 -1.882 -3.681) 4.205 27.036 ( -2.850 0.769 -0.906) 3.088 27.084 ( 0.526 -0.514 -2.120) 2.244 27.217 ( 2.261 0.717 3.551) 4.271 27.382 ( -2.019 -4.456 12.905) 13.802 27.801 ( -4.173 3.672 2.109) 5.946 28.049 ( 4.034 -3.111 3.005) 5.914 28.464 ( -0.291 2.806 -3.191) 4.259 28.729 ( 0.336 -4.897 -4.484) 6.649 29.356 ( 0.595 7.559 -1.382) 7.707 29.816 ( -1.677 -5.241 -2.777) 6.164 29.911 ( 0.305 1.745 -0.135) 1.776 29.951 ( 0.275 1.580 -1.090) 1.939 30.274 ( -0.986 -0.312 0.079) 1.037 30.330 ( -0.256 -1.605 1.786) 2.415 30.589 ( 4.234 2.073 2.291) 5.241 30.774 ( -2.483 -2.201 0.313) 3.333 ======================= Grid point 10 (10/96) ======================= q-point: ( 0.18 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 2.624 5.787) 6.354 2.212 ( 0.000 48.099 55.298) 73.289 2.640 ( 0.000 52.664 64.353) 83.155 3.421 ( 0.000 74.856 83.283) 111.980 4.351 ( 0.000 4.381 4.369) 6.187 4.414 ( 0.000 0.867 -0.684) 1.104 5.737 ( 0.000 22.667 -15.969) 27.727 6.021 ( 0.000 -0.941 1.521) 1.789 6.074 ( 0.000 8.869 3.605) 9.574 6.740 ( 0.000 2.936 6.188) 6.849 8.019 ( -0.000 -36.073 25.294) 44.057 9.374 ( -0.000 -2.352 -11.778) 12.010 10.020 ( 0.000 3.600 3.429) 4.972 10.087 ( -0.000 -8.847 -21.588) 23.331 10.343 ( -0.000 -6.164 -6.694) 9.100 10.777 ( 0.000 14.797 5.223) 15.691 11.638 ( -0.000 30.053 -28.818) 41.637 12.146 ( 0.000 -0.589 1.158) 1.299 12.390 ( -0.000 -14.270 4.368) 14.923 12.903 ( -0.000 -19.809 -7.872) 21.316 13.061 ( -0.000 -5.632 -1.341) 5.789 13.326 ( -0.000 -37.379 -14.398) 40.056 14.166 ( -0.000 0.663 -34.494) 34.500 14.231 ( -0.000 -25.595 -13.417) 28.898 15.104 ( 0.000 16.006 -4.368) 16.591 15.255 ( -0.000 6.993 -8.227) 10.797 15.622 ( -0.000 4.667 -5.833) 7.470 16.131 ( 0.000 1.452 3.783) 4.052 16.370 ( 0.000 9.356 18.982) 21.162 16.484 ( 0.000 0.609 1.179) 1.327 16.594 ( 0.000 6.123 15.326) 16.504 16.934 ( 0.000 -2.039 11.375) 11.557 17.088 ( -0.000 -2.617 -5.963) 6.511 17.210 ( 0.000 10.171 14.208) 17.473 17.280 ( 0.000 3.747 1.206) 3.936 17.591 ( 0.000 17.013 -3.761) 17.423 17.764 ( -0.000 -4.393 -2.923) 5.277 18.062 ( -0.000 -4.647 -2.706) 5.377 18.068 ( -0.000 -3.392 -3.349) 4.766 18.162 ( 0.000 -4.769 22.298) 22.803 18.258 ( 0.000 1.758 6.971) 7.189 18.590 ( -0.000 -4.726 -0.386) 4.742 18.623 ( 0.000 4.108 6.407) 7.611 19.289 ( -0.000 -1.851 -1.537) 2.406 19.438 ( 0.000 8.104 -7.401) 10.975 19.852 ( -0.000 0.487 -0.942) 1.060 20.037 ( -0.000 -7.909 -18.448) 20.072 20.234 ( -0.000 1.652 -22.363) 22.424 20.272 ( -0.000 7.043 -17.166) 18.554 20.437 ( -0.000 0.352 -2.866) 2.888 21.001 ( -0.000 -2.114 -1.670) 2.694 21.036 ( 0.000 2.756 2.725) 3.876 21.261 ( 0.000 -1.158 6.699) 6.798 21.366 ( 0.000 -7.685 23.350) 24.582 21.420 ( -0.000 -1.588 -5.909) 6.118 21.546 ( 0.000 -7.385 8.288) 11.101 21.798 ( 0.000 2.387 0.926) 2.561 21.943 ( 0.000 -0.748 1.921) 2.062 21.961 ( -0.000 -7.900 5.254) 9.488 22.109 ( 0.000 -6.346 9.201) 11.177 22.168 ( -0.000 -15.403 11.166) 19.025 22.555 ( -0.000 -2.894 -1.481) 3.251 22.587 ( -0.000 -8.624 7.101) 11.171 23.015 ( 0.000 8.759 7.911) 11.803 23.254 ( -0.000 6.289 -7.357) 9.678 23.382 ( -0.000 1.561 -7.232) 7.398 23.724 ( -0.000 -6.405 -5.362) 8.353 23.758 ( 0.000 2.930 3.502) 4.567 23.875 ( 0.000 -1.953 3.906) 4.367 24.056 ( -0.000 3.982 -4.247) 5.822 24.071 ( 0.000 10.147 -4.656) 11.164 24.092 ( 0.000 1.886 -1.303) 2.292 24.228 ( 0.000 10.668 -3.522) 11.234 24.458 ( 0.000 1.792 1.713) 2.479 25.019 ( 0.000 -3.643 9.833) 10.486 25.133 ( -0.000 -3.410 0.434) 3.437 25.346 ( -0.000 -5.544 -11.005) 12.323 25.746 ( 0.000 11.081 -8.004) 13.670 26.484 ( 0.000 1.476 1.672) 2.230 26.794 ( -0.000 -0.394 -0.733) 0.833 26.947 ( 0.000 -1.017 1.618) 1.911 27.174 ( 0.000 0.752 3.677) 3.753 27.375 ( -0.000 -4.765 1.114) 4.893 27.513 ( 0.000 3.828 -3.023) 4.878 27.907 ( 0.000 2.856 4.040) 4.947 28.361 ( 0.000 0.762 4.006) 4.078 28.717 ( -0.000 -2.247 0.241) 2.260 28.826 ( -0.000 -2.628 -7.293) 7.752 29.085 ( 0.000 1.906 1.171) 2.237 29.396 ( 0.000 -2.367 2.698) 3.589 29.721 ( 0.000 6.180 -1.687) 6.407 29.856 ( -0.000 -4.280 2.832) 5.132 30.165 ( -0.000 -0.874 -0.826) 1.202 30.198 ( 0.000 2.373 3.440) 4.179 30.237 ( 0.000 0.985 0.680) 1.197 30.964 ( -0.000 -0.978 -2.695) 2.867 ======================= Grid point 11 (11/96) ======================= q-point: (-0.02 0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 20.358 -0.000 -13.615) 24.491 3.726 ( -16.284 0.000 1.841) 16.387 4.334 ( 9.694 -0.000 3.165) 10.198 4.557 ( -1.009 -0.000 6.023) 6.107 5.571 ( 26.690 -0.000 14.210) 30.237 6.194 ( 1.624 -0.000 -2.111) 2.664 6.671 ( 15.995 -0.000 6.837) 17.395 6.786 ( 46.398 -0.000 18.342) 49.892 6.794 ( -1.768 -0.000 8.627) 8.807 7.873 ( 28.230 -0.000 3.527) 28.449 8.740 ( -11.172 0.000 2.989) 11.565 9.597 ( -20.703 0.000 -1.054) 20.730 9.607 ( -12.098 0.000 -1.349) 12.173 10.249 ( -13.197 0.000 0.629) 13.212 10.284 ( 71.055 -0.000 31.898) 77.886 10.905 ( -6.682 0.000 -27.373) 28.177 11.126 ( 0.540 -0.000 0.449) 0.702 11.333 ( 17.962 -0.000 5.769) 18.865 11.377 ( -11.936 0.000 1.722) 12.060 13.029 ( -3.476 0.000 -12.990) 13.447 13.268 ( -15.370 0.000 -14.289) 20.986 13.639 ( 3.094 -0.000 -1.187) 3.314 13.668 ( 1.405 0.000 -11.375) 11.461 14.106 ( 9.149 -0.000 9.947) 13.515 15.144 ( 0.592 -0.000 11.124) 11.140 15.482 ( 8.282 -0.000 -6.553) 10.561 15.723 ( 8.473 -0.000 -12.278) 14.918 15.925 ( 5.719 -0.000 16.116) 17.101 16.179 ( -24.861 0.000 -10.262) 26.896 16.774 ( 0.555 -0.000 5.903) 5.929 16.794 ( 7.808 -0.000 -3.127) 8.410 16.919 ( -8.901 0.000 -1.504) 9.028 17.175 ( -5.090 0.000 2.617) 5.723 17.306 ( 4.025 -0.000 3.549) 5.366 17.491 ( 8.215 -0.000 -13.140) 15.497 17.503 ( -7.861 0.000 -3.009) 8.417 17.565 ( 26.926 -0.000 -8.611) 28.270 17.991 ( -8.141 0.000 4.558) 9.331 18.297 ( -5.708 0.000 -7.996) 9.825 18.637 ( -15.433 0.000 -15.865) 22.133 18.745 ( -26.091 0.000 -26.033) 36.858 18.806 ( 0.163 -0.000 3.424) 3.428 19.120 ( 18.789 -0.000 17.757) 25.852 19.192 ( 7.978 -0.000 13.343) 15.546 19.260 ( 2.838 -0.000 14.880) 15.148 19.386 ( -24.639 0.000 1.245) 24.670 19.476 ( 22.280 -0.000 1.181) 22.311 20.007 ( -2.960 0.000 3.637) 4.689 20.292 ( -11.397 0.000 5.125) 12.496 20.312 ( 0.652 -0.000 2.506) 2.590 20.441 ( -5.247 0.000 2.011) 5.619 20.564 ( 0.672 -0.000 4.919) 4.965 20.928 ( -5.949 0.000 7.300) 9.417 21.049 ( -13.338 0.000 -8.897) 16.033 21.500 ( -2.170 0.000 -5.822) 6.214 21.536 ( -5.168 0.000 -5.663) 7.666 21.616 ( 10.994 -0.000 -0.848) 11.026 21.687 ( -6.023 0.000 -1.144) 6.131 21.815 ( 4.726 -0.000 1.481) 4.953 22.373 ( 5.090 -0.000 1.181) 5.225 22.581 ( 10.822 -0.000 -4.218) 11.615 22.611 ( -1.288 -0.000 6.573) 6.698 22.938 ( -3.990 0.000 -5.548) 6.834 23.000 ( -6.017 0.000 1.247) 6.145 23.076 ( 1.894 -0.000 -2.967) 3.520 23.166 ( -0.639 0.000 -6.328) 6.360 23.453 ( -16.642 0.000 5.323) 17.473 23.493 ( -0.717 0.000 -1.634) 1.784 23.914 ( 1.467 0.000 -4.343) 4.584 24.204 ( 1.720 -0.000 -0.750) 1.876 24.214 ( 3.715 -0.000 6.407) 7.406 24.351 ( -0.527 -0.000 5.456) 5.481 24.351 ( -3.003 0.000 -5.497) 6.264 24.410 ( 8.293 -0.000 5.560) 9.984 24.675 ( 0.742 -0.000 3.810) 3.882 24.947 ( 0.439 -0.000 -0.550) 0.704 25.017 ( -0.271 -0.000 6.570) 6.575 25.456 ( -2.439 0.000 4.129) 4.796 26.702 ( -3.243 0.000 -4.635) 5.657 26.952 ( 4.369 -0.000 1.916) 4.771 26.958 ( 1.414 -0.000 2.980) 3.298 27.120 ( -3.285 0.000 4.650) 5.694 27.245 ( -1.934 0.000 -3.939) 4.388 27.417 ( -0.042 0.000 -15.024) 15.024 27.731 ( -1.263 0.000 2.849) 3.117 28.201 ( -6.924 0.000 -5.670) 8.949 28.450 ( -1.401 0.000 3.335) 3.617 28.796 ( -0.936 -0.000 4.274) 4.376 29.259 ( 1.941 -0.000 1.006) 2.186 29.794 ( 6.570 -0.000 4.107) 7.748 29.848 ( 3.513 -0.000 -0.234) 3.520 29.939 ( -1.493 0.000 -0.615) 1.614 30.258 ( 0.838 -0.000 1.102) 1.384 30.330 ( 1.400 -0.000 -1.774) 2.259 30.592 ( 3.919 -0.000 -2.770) 4.799 30.780 ( -2.251 0.000 -0.394) 2.285 ======================= Grid point 12 (12/96) ======================= q-point: (-0.02 -0.15 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -46.923 0.000 -6.068) 47.314 2.413 ( -55.061 0.000 -53.561) 76.814 2.940 ( -54.394 0.000 -16.033) 56.708 3.999 (-100.849 0.000 -69.827) 122.664 4.319 ( 6.322 -0.000 -0.539) 6.345 4.328 ( -0.703 0.000 -1.761) 1.896 5.387 ( -4.636 0.000 -5.128) 6.913 6.031 ( -4.485 0.000 -2.756) 5.264 6.224 ( -13.737 0.000 8.079) 15.936 6.705 ( -0.425 0.000 -5.226) 5.243 8.228 ( 16.800 -0.000 -25.606) 30.625 9.282 ( 10.889 -0.000 7.925) 13.468 9.965 ( 1.765 0.000 -7.249) 7.461 10.190 ( -0.080 -0.000 3.389) 3.390 10.565 ( 0.022 -0.000 11.575) 11.575 10.707 ( -19.036 0.000 3.622) 19.377 11.058 ( 3.465 -0.000 11.422) 11.936 11.995 ( 13.292 -0.000 9.037) 16.074 12.185 ( 27.558 -0.000 3.121) 27.734 13.239 ( -11.803 0.000 4.256) 12.547 13.310 ( -13.738 0.000 -1.823) 13.858 13.707 ( 4.332 -0.000 9.131) 10.106 14.110 ( 7.534 -0.000 30.307) 31.230 14.461 ( 13.013 -0.000 14.593) 19.552 14.923 ( -1.675 0.000 -11.163) 11.288 15.179 ( -5.030 0.000 11.370) 12.433 15.468 ( 3.881 -0.000 7.311) 8.277 16.063 ( 4.409 -0.000 -7.652) 8.832 16.350 ( -7.742 0.000 -13.366) 15.447 16.590 ( -7.646 0.000 6.729) 10.185 16.614 ( -10.581 0.000 -14.312) 17.799 17.020 ( -0.049 0.000 -11.229) 11.229 17.022 ( 5.119 -0.000 0.683) 5.164 17.081 ( -2.346 0.000 -7.073) 7.452 17.378 ( -14.482 0.000 0.945) 14.513 17.477 ( 2.270 -0.000 6.850) 7.216 17.823 ( 0.323 -0.000 0.957) 1.010 17.959 ( 0.859 0.000 -9.470) 9.509 18.081 ( -3.774 0.000 -1.322) 3.999 18.212 ( -2.037 0.000 -5.945) 6.284 18.356 ( 3.113 -0.000 -0.556) 3.163 18.650 ( -8.666 0.000 -14.092) 16.544 18.911 ( -20.278 0.000 3.518) 20.581 19.201 ( 8.402 -0.000 -1.828) 8.599 19.271 ( 6.247 -0.000 12.629) 14.090 19.942 ( -6.609 0.000 5.481) 8.586 20.014 ( 8.095 -0.000 16.942) 18.777 20.178 ( -1.209 -0.000 20.884) 20.919 20.196 ( 5.136 -0.000 5.040) 7.196 20.530 ( -3.631 0.000 6.413) 7.369 20.885 ( 10.170 -0.000 -8.790) 13.442 20.901 ( 8.189 -0.000 1.330) 8.297 21.329 ( 18.031 -0.000 0.446) 18.037 21.349 ( -4.325 0.000 -5.268) 6.816 21.400 ( 6.741 0.000 -22.275) 23.273 21.489 ( 11.074 -0.000 -9.640) 14.682 21.595 ( -0.422 0.000 -5.477) 5.493 21.906 ( 1.795 -0.000 2.375) 2.977 22.126 ( 0.450 -0.000 -0.960) 1.060 22.166 ( 0.471 0.000 -1.846) 1.905 22.363 ( -3.392 0.000 -2.394) 4.152 22.427 ( 8.967 -0.000 -6.107) 10.849 22.813 ( -12.463 0.000 -1.142) 12.515 23.078 ( -7.787 0.000 -7.371) 10.722 23.217 ( -0.081 -0.000 7.253) 7.253 23.282 ( 7.041 -0.000 4.160) 8.178 23.566 ( 6.463 -0.000 7.578) 9.960 23.846 ( 4.629 -0.000 -1.880) 4.996 23.848 ( 0.858 0.000 -3.975) 4.067 23.945 ( -6.039 0.000 -2.263) 6.450 24.009 ( -0.463 0.000 -0.232) 0.517 24.118 ( -4.629 0.000 0.840) 4.705 24.284 ( -9.647 0.000 6.248) 11.493 24.456 ( -1.202 0.000 -3.118) 3.342 24.967 ( 6.787 -0.000 -1.217) 6.895 25.201 ( 18.431 -0.000 7.694) 19.972 25.256 ( -5.591 0.000 -4.381) 7.103 25.400 ( 16.014 -0.000 2.229) 16.168 26.603 ( -9.747 0.000 -0.013) 9.747 26.827 ( -2.264 0.000 1.220) 2.572 26.895 ( 4.725 -0.000 -3.080) 5.640 27.161 ( 1.365 0.000 -4.789) 4.980 27.446 ( 0.804 -0.000 3.015) 3.120 27.506 ( -6.942 0.000 3.580) 7.811 27.807 ( 5.885 -0.000 -4.370) 7.330 28.378 ( -1.633 0.000 -3.966) 4.289 28.642 ( 7.650 -0.000 2.155) 7.947 28.846 ( 1.792 -0.000 3.211) 3.677 29.090 ( -2.512 0.000 -1.373) 2.863 29.465 ( -4.172 0.000 -2.420) 4.823 29.692 ( -3.176 0.000 1.250) 3.413 30.040 ( -2.087 -0.000 5.159) 5.565 30.198 ( -2.115 0.000 0.771) 2.251 30.245 ( -6.700 0.000 -2.703) 7.224 30.249 ( -3.146 0.000 0.837) 3.255 30.958 ( 1.514 -0.000 2.668) 3.068 ======================= Grid point 13 (13/96) ======================= q-point: (-0.23 0.23 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 24.786 18.279 0.000) 30.797 3.765 ( 42.226 -35.446 -0.000) 55.131 3.787 ( 42.736 -14.721 -0.000) 45.200 4.187 ( 8.118 -6.941 -0.000) 10.681 4.381 ( 7.683 -4.722 -0.000) 9.018 5.493 ( 40.319 -3.566 -0.000) 40.476 5.938 ( 32.272 -18.964 -0.000) 37.431 6.191 ( 6.004 -8.272 -0.000) 10.221 6.702 ( 18.204 -4.143 -0.000) 18.669 7.190 ( 57.119 -15.161 -0.000) 59.097 7.669 ( 14.257 6.340 0.000) 15.603 9.089 ( -16.966 -7.109 -0.000) 18.395 9.767 ( -12.174 6.130 0.000) 13.630 10.017 ( -14.497 3.750 0.000) 14.974 10.627 ( -3.217 -8.201 -0.000) 8.809 11.097 ( 15.809 7.618 0.000) 17.549 11.266 ( -12.677 -20.003 -0.000) 23.682 11.480 ( -25.274 8.929 0.000) 26.805 12.234 ( 2.253 -1.635 -0.000) 2.784 13.091 ( -2.756 34.495 0.000) 34.604 13.401 ( 10.206 12.901 0.000) 16.450 13.530 ( 16.257 5.949 0.000) 17.311 13.985 ( -25.660 4.479 0.000) 26.048 14.148 ( -15.354 -1.979 0.000) 15.481 14.859 ( -6.805 -5.474 -0.000) 8.733 15.329 ( -0.698 2.776 0.000) 2.862 15.865 ( 7.492 -15.401 -0.000) 17.126 15.947 ( 5.603 2.968 0.000) 6.340 16.431 ( 9.610 -7.176 -0.000) 11.993 16.819 ( 3.343 0.372 -0.000) 3.363 16.900 ( -10.326 -2.337 0.000) 10.587 16.935 ( 16.549 10.831 0.000) 19.778 17.193 ( 15.218 -3.930 -0.000) 15.717 17.315 ( 0.060 -22.973 -0.000) 22.973 17.439 ( 6.851 5.443 0.000) 8.750 17.533 ( -2.236 2.826 0.000) 3.603 17.692 ( -5.899 -2.244 -0.000) 6.311 17.926 ( 6.391 -4.564 -0.000) 7.854 18.138 ( -0.956 2.646 0.000) 2.814 18.414 ( 24.189 -0.661 -0.000) 24.198 18.427 ( 0.833 -0.525 -0.000) 0.985 18.504 ( 12.741 7.671 0.000) 14.871 18.928 ( -9.100 -3.264 -0.000) 9.667 19.292 ( 8.525 6.880 0.000) 10.954 19.528 ( 5.530 1.964 0.000) 5.868 19.615 ( -32.965 14.839 0.000) 36.151 20.067 ( -5.363 -0.469 0.000) 5.384 20.146 ( -5.315 0.491 0.000) 5.337 20.361 ( -26.754 -4.778 0.000) 27.178 20.403 ( -9.425 -0.567 0.000) 9.442 20.432 ( -9.399 2.678 0.000) 9.773 20.718 ( -4.857 -6.471 -0.000) 8.091 20.827 ( -7.290 -6.315 -0.000) 9.644 21.053 ( 2.587 -2.897 -0.000) 3.884 21.237 ( -7.911 12.491 0.000) 14.786 21.517 ( 6.657 2.583 0.000) 7.140 21.672 ( 5.179 -4.647 -0.000) 6.958 21.755 ( -4.721 13.228 0.000) 14.045 21.964 ( 1.952 0.998 0.000) 2.192 22.285 ( 8.911 1.008 -0.000) 8.968 22.303 ( 0.124 2.043 0.000) 2.047 22.440 ( 6.101 0.452 -0.000) 6.118 22.993 ( 3.395 2.057 0.000) 3.969 23.149 ( -3.101 -2.842 -0.000) 4.207 23.175 ( 6.021 -3.708 -0.000) 7.072 23.280 ( -2.825 0.055 0.000) 2.825 23.628 ( -6.961 1.246 0.000) 7.071 23.683 ( -2.272 -2.603 -0.000) 3.455 23.860 ( 0.688 -3.012 -0.000) 3.090 23.928 ( -1.377 2.140 0.000) 2.545 24.184 ( 2.425 -9.524 -0.000) 9.828 24.321 ( 5.715 -7.369 -0.000) 9.325 24.395 ( 1.225 2.538 0.000) 2.818 24.541 ( 4.433 -1.105 -0.000) 4.569 24.738 ( -21.307 0.800 0.000) 21.322 24.859 ( -1.663 4.308 0.000) 4.618 25.124 ( -18.024 -8.875 -0.000) 20.090 25.240 ( 2.671 5.526 0.000) 6.137 26.805 ( 0.070 -0.086 -0.000) 0.111 26.815 ( 6.768 -1.011 -0.000) 6.843 26.942 ( 2.096 -2.832 -0.000) 3.523 27.035 ( -3.642 0.020 0.000) 3.642 27.492 ( 3.101 2.381 0.000) 3.910 27.634 ( -8.027 -3.540 -0.000) 8.773 27.784 ( 8.674 0.496 -0.000) 8.688 28.360 ( -1.062 0.176 0.000) 1.076 28.451 ( -8.595 0.553 0.000) 8.613 28.741 ( -6.645 2.639 0.000) 7.150 29.187 ( 4.917 -4.215 -0.000) 6.476 29.507 ( 5.567 3.815 0.000) 6.749 29.846 ( 3.470 -5.271 -0.000) 6.310 30.006 ( -1.646 3.491 0.000) 3.860 30.193 ( 1.393 0.823 0.000) 1.618 30.307 ( 4.012 2.808 0.000) 4.897 30.434 ( 8.100 -0.239 -0.000) 8.103 30.926 ( -3.642 0.508 0.000) 3.677 ======================= Grid point 14 (14/96) ======================= q-point: (-0.23 -0.27 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -25.351 0.678 4.511) 25.758 4.089 ( 13.199 0.654 -2.420) 13.435 4.251 ( -4.262 0.252 -3.049) 5.247 4.863 ( 5.691 -3.647 -10.598) 12.570 5.490 ( -21.339 -9.658 -14.869) 27.743 6.002 ( -11.196 1.694 1.061) 11.373 6.573 ( -3.718 0.211 -6.521) 7.509 6.702 ( -19.181 -10.484 -32.109) 38.844 7.103 ( -4.583 -3.743 -16.558) 17.584 7.741 ( -19.696 -10.286 -13.813) 26.164 8.831 ( 2.284 14.015 7.093) 15.873 8.929 ( -21.857 33.036 24.041) 46.337 9.736 ( 1.553 -1.083 3.632) 4.095 10.032 ( -10.311 -5.884 -17.956) 21.526 10.076 ( -13.951 -5.835 -8.984) 17.589 10.452 ( -4.884 -27.788 23.393) 36.650 11.213 ( -15.104 -24.777 2.190) 29.100 11.630 ( 3.133 10.889 -2.480) 11.599 11.944 ( 11.895 6.648 -20.105) 24.288 12.717 ( 3.180 7.203 13.655) 15.762 12.857 ( -4.398 -2.177 20.880) 21.449 13.170 ( 0.212 23.004 1.071) 23.030 13.450 ( -10.925 9.840 -3.842) 15.197 13.856 ( -13.589 19.191 0.802) 23.529 15.115 ( -5.327 3.513 -3.152) 7.117 15.404 ( -3.224 -3.277 -5.389) 7.084 15.489 ( -7.644 -19.874 2.736) 21.468 16.099 ( 5.960 1.543 2.215) 6.543 16.350 ( 12.890 4.502 8.289) 15.972 16.716 ( 7.369 -3.143 2.985) 8.549 16.808 ( -3.847 1.724 -3.407) 5.420 17.109 ( 1.219 -4.857 2.398) 5.553 17.181 ( -1.669 -2.967 -2.516) 4.233 17.229 ( -2.877 3.656 -1.529) 4.897 17.424 ( 5.779 -3.945 -1.458) 7.147 17.514 ( 2.782 -8.950 -9.019) 13.007 17.664 ( 14.918 -1.701 5.322) 15.930 18.147 ( 3.571 5.019 3.479) 7.074 18.283 ( 2.022 -10.984 -1.513) 11.271 18.409 ( -0.572 2.461 7.894) 8.288 18.631 ( -3.185 9.687 4.972) 11.344 18.823 ( -18.454 1.207 -5.350) 19.252 18.901 ( 8.307 -3.577 13.333) 16.111 18.994 ( 1.527 -9.449 4.397) 10.533 19.449 ( -13.935 -6.682 -18.108) 23.806 19.632 ( 2.166 1.189 0.448) 2.511 19.821 ( -3.382 -3.938 2.932) 5.962 19.861 ( -15.921 -2.138 2.051) 16.194 20.040 ( 6.002 0.418 10.804) 12.367 20.438 ( -6.428 2.167 -14.523) 16.029 20.707 ( 14.473 1.351 -0.627) 14.550 20.926 ( 10.076 -1.137 6.039) 11.802 21.078 ( 12.642 10.547 -4.152) 16.979 21.218 ( 5.008 0.897 2.704) 5.762 21.420 ( 4.567 9.463 3.354) 11.030 21.548 ( 1.842 -0.710 1.438) 2.442 21.726 ( 11.379 -3.522 -3.995) 12.564 21.749 ( -0.319 -4.538 5.249) 6.946 21.903 ( 8.320 -1.064 -5.442) 9.998 22.182 ( -4.588 8.922 4.945) 11.185 22.254 ( -1.007 5.751 0.065) 5.838 22.375 ( -0.147 9.030 4.350) 10.025 22.939 ( -4.376 2.555 0.892) 5.145 23.094 ( 0.864 -3.058 3.055) 4.408 23.099 ( 0.632 -4.817 -3.398) 5.929 23.359 ( 8.846 -6.432 -4.821) 11.952 23.661 ( -0.019 -4.480 -4.812) 6.575 23.801 ( 10.345 -0.108 -0.675) 10.368 23.815 ( 1.770 -1.127 4.330) 4.812 24.125 ( -1.100 0.603 3.102) 3.346 24.202 ( -3.099 -1.903 -0.142) 3.639 24.288 ( -2.543 1.737 -2.401) 3.905 24.315 ( -3.771 -0.553 -1.351) 4.044 24.472 ( -4.468 -1.279 -2.244) 5.161 24.742 ( -5.043 -1.822 -6.745) 8.616 24.902 ( 5.005 1.830 4.121) 6.737 25.150 ( 3.304 -3.308 2.147) 5.144 25.605 ( 4.815 5.201 -6.964) 9.936 26.696 ( 0.281 -2.605 2.444) 3.583 26.923 ( -5.393 1.528 -2.649) 6.200 26.977 ( -1.916 -1.597 -5.713) 6.234 27.122 ( 2.145 1.957 6.856) 7.445 27.222 ( 4.026 -0.500 4.031) 5.719 27.390 ( 6.477 2.914 -6.595) 9.692 27.955 ( 6.870 -1.908 -6.399) 9.580 28.181 ( 6.672 1.619 6.713) 9.602 28.564 ( 1.759 -2.251 -1.469) 3.213 28.785 ( -0.805 3.667 1.631) 4.093 29.266 ( -4.287 -5.088 0.348) 6.662 29.639 ( -8.058 3.678 -0.963) 8.910 29.773 ( -5.459 -3.871 1.665) 6.896 29.972 ( 0.914 -0.278 -0.307) 1.004 30.240 ( -3.334 2.083 -1.033) 4.065 30.284 ( 0.497 1.094 -1.401) 1.846 30.465 ( -3.531 -0.355 1.095) 3.714 30.800 ( 0.777 0.084 0.416) 0.885 ======================= Grid point 15 (15/96) ======================= q-point: (-0.43 0.10 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 24.259 2.268 3.343) 24.593 4.070 ( 12.801 -19.845 -7.942) 24.915 4.301 ( -7.751 -1.255 -2.396) 8.210 4.484 ( 8.428 -9.067 -20.745) 24.158 5.123 ( 22.255 -36.768 -40.823) 59.276 5.542 ( 5.198 -2.225 12.093) 13.350 6.147 ( 4.937 -9.417 -15.838) 19.076 6.454 ( 8.545 -11.939 -11.056) 18.379 6.800 ( 6.917 -13.492 -11.129) 18.807 7.324 ( 17.298 -38.092 -31.282) 52.238 8.104 ( 13.404 15.939 -33.566) 39.501 8.953 ( 2.715 16.596 24.081) 29.372 9.116 ( 9.969 7.835 23.005) 26.268 9.910 ( 6.748 6.519 11.869) 15.130 10.196 ( -6.249 0.114 0.536) 6.273 11.268 ( -7.858 -1.722 -1.038) 8.112 11.577 ( -2.823 -5.017 27.521) 28.116 11.703 ( -6.863 -11.699 2.902) 13.871 12.134 ( -7.686 13.366 -6.722) 16.820 12.518 ( 18.257 8.005 9.237) 21.971 12.592 ( 3.262 19.227 -2.467) 19.657 12.997 ( 6.638 8.567 3.919) 11.524 13.362 ( -4.325 4.959 26.963) 27.754 13.508 ( 4.497 14.657 16.192) 22.299 15.145 ( -4.280 -4.551 3.697) 7.259 15.416 ( -0.224 -11.463 0.472) 11.475 15.636 ( 12.477 -4.961 3.673) 13.920 16.158 ( -9.737 -1.477 -3.367) 10.408 16.484 ( -6.125 10.398 3.679) 12.616 16.610 ( 2.264 4.963 -2.341) 5.936 16.891 ( -6.962 -2.421 -8.338) 11.129 17.095 ( 5.728 -4.291 -1.613) 7.337 17.229 ( -4.208 -6.774 -2.199) 8.272 17.332 ( -5.185 -5.598 -14.238) 16.154 17.505 ( -8.286 2.466 2.717) 9.062 17.646 ( -1.147 -6.815 -3.041) 7.550 17.887 ( 5.614 -1.442 -5.741) 8.158 18.051 ( 5.894 0.982 -1.879) 6.264 18.064 ( 11.164 2.082 -0.231) 11.359 18.327 ( 0.301 7.489 -4.009) 8.500 18.565 ( -3.632 2.310 -1.128) 4.450 18.751 ( 6.783 4.268 -8.254) 11.505 18.888 ( 4.806 -10.053 -8.979) 14.310 19.157 ( -12.069 -5.140 7.524) 15.123 19.366 ( 4.005 -7.214 -3.983) 9.163 19.503 ( 14.679 2.661 15.020) 21.170 19.841 ( 6.501 5.123 13.431) 15.777 19.942 ( -8.626 -5.098 2.612) 10.355 20.211 ( 6.981 -9.708 7.265) 13.991 20.493 ( -8.651 0.941 0.962) 8.755 20.785 ( -4.293 15.131 -3.569) 16.128 21.015 ( -5.686 -0.155 0.794) 5.743 21.110 ( -5.061 4.317 3.117) 7.346 21.242 ( -4.844 6.857 -0.594) 8.416 21.387 ( 2.733 -1.818 1.049) 3.446 21.604 ( -6.161 9.502 -3.413) 11.828 21.774 ( -5.495 0.612 -8.908) 10.485 21.855 ( -1.130 -2.978 -4.591) 5.588 21.948 ( -0.392 3.516 -4.371) 5.623 22.119 ( -9.304 8.586 -6.334) 14.157 22.253 ( -2.833 0.862 -5.598) 6.333 22.315 ( -4.902 2.669 -2.710) 6.204 22.808 ( 8.503 1.997 1.392) 8.844 23.147 ( -4.160 -1.822 4.062) 6.093 23.219 ( 0.157 -2.888 5.668) 6.363 23.508 ( 4.748 -6.781 -10.839) 13.639 23.565 ( -0.086 -0.023 3.008) 3.010 23.866 ( -3.676 0.802 -5.705) 6.834 23.978 ( -3.999 -0.620 -1.564) 4.338 24.055 ( 6.112 -1.283 0.411) 6.259 24.086 ( 3.332 -2.539 -1.920) 4.608 24.185 ( 2.804 -5.501 5.272) 8.119 24.341 ( 6.972 -2.472 4.443) 8.629 24.575 ( -2.381 -0.983 3.360) 4.234 24.769 ( -8.921 -0.756 9.122) 12.781 25.010 ( -5.219 2.591 0.216) 5.831 25.274 ( 1.742 6.714 -10.939) 12.953 25.576 ( -11.052 -10.265 8.634) 17.380 26.667 ( 6.823 -2.707 -0.674) 7.371 26.786 ( 3.150 1.428 1.874) 3.934 26.965 ( -1.930 -2.843 -2.128) 4.042 27.212 ( 0.470 1.400 3.092) 3.427 27.318 ( -3.371 5.195 -4.477) 7.641 27.466 ( -2.968 -4.270 6.242) 8.124 28.011 ( -5.599 -3.575 -5.626) 8.705 28.424 ( -5.915 2.255 3.818) 7.393 28.565 ( -0.062 -1.611 -1.766) 2.391 28.714 ( 1.159 3.575 0.786) 3.840 29.219 ( 5.605 -2.985 -1.374) 6.497 29.424 ( 3.160 2.907 -2.212) 4.830 29.833 ( 4.606 -0.529 0.284) 4.645 29.870 ( 1.000 -0.734 0.102) 1.245 30.153 ( 1.687 1.214 -0.406) 2.117 30.261 ( -0.232 -1.286 0.361) 1.356 30.371 ( 3.020 -1.242 -3.481) 4.773 30.861 ( -0.658 1.193 3.466) 3.725 ======================= Grid point 16 (16/96) ======================= q-point: ( 0.57 -0.40 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -22.727 -7.995 -3.463) 24.340 3.882 ( 13.948 5.657 -2.677) 15.288 4.391 ( -4.337 -1.670 -0.821) 4.720 4.842 ( 10.692 9.680 -6.880) 15.979 6.022 ( -10.564 10.330 5.684) 15.831 6.038 ( -5.178 -3.309 3.214) 6.935 6.573 ( -8.006 -2.373 3.487) 9.049 6.855 ( -1.252 12.583 2.638) 12.917 7.339 ( -35.013 16.102 4.173) 38.763 7.951 ( -26.668 -2.688 12.036) 29.381 9.018 ( 21.252 -6.456 -4.358) 22.635 9.110 ( -6.097 -2.993 0.911) 6.853 9.357 ( 25.801 0.009 6.652) 26.645 10.098 ( 20.077 -10.642 8.885) 24.399 10.525 ( -43.572 9.065 -12.492) 46.225 10.818 ( -19.091 -0.337 -12.739) 22.954 11.311 ( -8.836 4.251 7.064) 12.086 11.771 ( -1.768 -7.738 5.061) 9.414 11.903 ( 1.837 -2.381 -5.435) 6.211 12.226 ( 11.389 29.487 -2.218) 31.688 13.076 ( -7.735 4.062 1.719) 8.904 13.275 ( 17.733 -6.229 -15.187) 24.164 13.867 ( -10.981 9.269 -11.626) 18.484 14.308 ( -3.920 -1.943 3.097) 5.360 15.097 ( 0.105 8.773 7.521) 11.556 15.249 ( 11.013 -6.566 8.519) 15.394 15.854 ( -7.630 -8.638 -1.807) 11.666 16.098 ( -5.300 -8.172 -7.877) 12.527 16.434 ( -4.209 -11.349 0.402) 12.111 16.553 ( 4.373 4.824 -4.557) 7.947 16.811 ( 4.820 4.263 0.217) 6.438 16.897 ( 7.333 -2.174 -1.441) 7.783 16.990 ( 3.846 -9.192 6.512) 11.903 17.446 ( -4.728 -6.210 -0.959) 7.864 17.514 ( -9.098 6.361 -6.654) 12.943 17.649 ( -9.986 1.917 -10.022) 14.277 17.890 ( -3.539 -17.688 0.438) 18.044 18.011 ( -6.548 1.758 5.895) 8.985 18.134 ( -2.884 -1.582 -0.355) 3.309 18.371 ( 10.301 1.183 -11.073) 15.170 18.605 ( 0.364 -0.270 11.859) 11.868 18.848 ( -1.739 -7.488 -6.904) 10.333 18.898 ( -5.813 0.055 4.248) 7.200 19.124 ( 8.415 -1.892 4.956) 9.948 19.228 ( 7.693 -8.970 4.882) 12.785 19.548 ( -26.948 13.620 3.800) 30.433 19.691 ( 12.387 -1.234 6.391) 13.993 19.751 ( -0.808 -8.331 0.431) 8.381 20.132 ( 18.669 1.244 -0.589) 18.720 20.255 ( -0.371 -3.420 4.965) 6.040 20.430 ( 13.714 9.910 3.497) 17.277 20.514 ( 5.486 5.739 10.997) 13.564 20.988 ( 4.529 0.915 4.589) 6.513 21.009 ( 4.225 0.185 2.025) 4.689 21.352 ( -1.117 -3.629 -4.443) 5.845 21.406 ( -2.264 11.200 -6.207) 13.004 21.723 ( -2.360 -1.049 -3.122) 4.052 21.862 ( 2.125 2.900 -0.232) 3.603 22.005 ( -2.076 -8.098 -4.336) 9.417 22.202 ( -3.343 10.968 0.711) 11.488 22.330 ( -12.273 2.559 -11.045) 16.708 22.495 ( -11.986 -3.347 -6.471) 14.026 22.947 ( 1.669 0.629 1.679) 2.450 23.121 ( 5.295 -1.190 -2.947) 6.176 23.204 ( 15.576 -2.000 -2.742) 15.942 23.279 ( 2.914 0.962 1.151) 3.277 23.571 ( 3.028 -4.132 0.545) 5.151 23.735 ( 2.138 7.090 3.563) 8.218 23.869 ( -5.769 -2.180 -0.754) 6.213 24.105 ( 2.122 -3.525 5.331) 6.734 24.139 ( 1.387 1.408 4.192) 4.635 24.240 ( 5.641 -3.003 1.217) 6.506 24.394 ( -6.911 -5.454 -0.900) 8.850 24.553 ( -2.320 -3.990 -0.258) 4.622 24.757 ( 3.136 5.836 -3.955) 7.716 24.802 ( 3.306 4.807 5.215) 7.825 25.051 ( -0.055 -5.124 4.868) 7.068 25.335 ( 8.787 11.075 0.927) 14.168 26.814 ( -0.043 -3.720 -2.157) 4.300 26.857 ( 1.120 1.936 1.174) 2.526 27.022 ( -1.504 1.004 0.753) 1.958 27.059 ( 1.314 0.053 1.583) 2.058 27.336 ( -2.191 -4.035 -5.949) 7.515 27.585 ( 4.074 5.950 -11.010) 13.161 27.939 ( -2.186 4.383 0.095) 4.899 28.097 ( 9.049 -3.937 -2.411) 10.158 28.488 ( 2.291 -2.892 2.878) 4.679 28.538 ( 1.076 2.578 4.642) 5.418 29.415 ( -4.228 -7.497 2.095) 8.859 29.614 ( -4.161 7.623 2.729) 9.104 29.898 ( -3.010 -2.638 -0.067) 4.002 29.963 ( 0.539 -0.896 0.607) 1.209 30.297 ( -0.219 0.730 -0.892) 1.173 30.309 ( -1.276 2.822 -1.009) 3.257 30.527 ( -7.023 -2.805 -0.035) 7.562 30.829 ( 3.426 1.280 -1.571) 3.981 ======================= Grid point 17 (17/96) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 0.540 1.946) 2.020 3.884 ( 0.000 30.891 19.140) 36.340 4.391 ( 0.000 3.445 17.216) 17.557 4.409 ( 0.000 1.017 -0.765) 1.272 4.842 ( 0.000 40.053 47.568) 62.185 5.512 ( -0.000 6.393 -16.956) 18.121 6.143 ( 0.000 5.955 13.581) 14.830 6.270 ( 0.000 20.755 30.745) 37.095 6.695 ( 0.000 29.520 15.563) 33.371 7.179 ( 0.000 28.809 34.457) 44.914 7.994 ( 0.000 -19.481 35.920) 40.862 8.894 ( -0.000 -27.209 -48.318) 55.452 9.021 ( -0.000 -2.501 -19.414) 19.575 9.851 ( -0.000 -11.461 -9.914) 15.154 10.259 ( -0.000 -0.551 -0.761) 0.940 11.311 ( 0.000 20.689 8.199) 22.255 11.658 ( -0.000 3.543 -56.191) 56.303 11.833 ( -0.000 -10.459 -13.881) 17.380 12.074 ( -0.000 -27.534 11.316) 29.768 12.354 ( 0.000 3.521 10.137) 10.731 12.597 ( -0.000 -20.406 2.550) 20.565 12.893 ( -0.000 0.045 -7.631) 7.632 13.419 ( -0.000 0.600 -36.074) 36.079 13.486 ( -0.000 -23.820 -2.729) 23.976 15.135 ( -0.000 5.532 -6.420) 8.474 15.420 ( 0.000 13.892 -1.822) 14.011 15.566 ( -0.000 -0.659 -3.166) 3.234 16.291 ( 0.000 4.487 2.028) 4.924 16.511 ( 0.000 2.090 0.145) 2.095 16.625 ( -0.000 -13.603 1.864) 13.730 16.930 ( 0.000 -1.081 4.533) 4.660 17.102 ( 0.000 6.796 4.689) 8.257 17.224 ( 0.000 10.031 12.569) 16.081 17.411 ( 0.000 6.602 14.741) 16.152 17.651 ( -0.000 4.506 -12.005) 12.823 17.655 ( -0.000 -5.712 2.630) 6.288 17.741 ( 0.000 4.459 17.007) 17.581 17.923 ( -0.000 -2.720 -1.607) 3.159 17.990 ( -0.000 -1.829 1.479) 2.352 18.384 ( 0.000 -5.996 6.549) 8.879 18.598 ( 0.000 -5.590 18.126) 18.968 18.630 ( 0.000 2.309 3.713) 4.373 18.851 ( 0.000 8.174 5.148) 9.660 19.254 ( -0.000 -5.655 -26.971) 27.557 19.258 ( -0.000 1.126 -1.472) 1.853 19.553 ( 0.000 16.624 -1.895) 16.732 19.645 ( -0.000 -0.912 -26.858) 26.874 20.023 ( 0.000 -2.378 6.559) 6.976 20.139 ( -0.000 9.641 -13.386) 16.497 20.554 ( 0.000 1.470 5.311) 5.511 20.852 ( -0.000 -15.070 -3.332) 15.434 21.035 ( -0.000 -2.981 -3.092) 4.295 21.179 ( -0.000 -9.259 -1.507) 9.381 21.317 ( -0.000 -2.760 2.146) 3.497 21.351 ( 0.000 4.334 -0.695) 4.389 21.688 ( -0.000 -11.137 -4.354) 11.958 21.796 ( 0.000 -3.933 13.242) 13.813 21.841 ( 0.000 1.437 2.466) 2.854 22.009 ( 0.000 -1.034 6.263) 6.348 22.263 ( 0.000 -7.938 17.817) 19.505 22.284 ( 0.000 -1.550 6.449) 6.632 22.457 ( -0.000 -3.975 0.124) 3.977 22.608 ( 0.000 -5.966 7.218) 9.364 23.197 ( -0.000 1.743 -9.359) 9.520 23.296 ( 0.000 7.562 -6.839) 10.196 23.355 ( 0.000 2.766 5.714) 6.349 23.585 ( 0.000 0.952 3.397) 3.528 23.911 ( 0.000 1.423 4.623) 4.837 23.981 ( 0.000 -0.378 6.524) 6.534 24.023 ( 0.000 0.951 0.131) 0.960 24.084 ( -0.000 0.755 -1.381) 1.574 24.122 ( 0.000 9.542 -7.287) 12.006 24.250 ( -0.000 1.859 -4.979) 5.315 24.588 ( 0.000 5.204 0.314) 5.214 24.888 ( -0.000 -3.516 -19.966) 20.274 25.090 ( -0.000 -1.896 1.321) 2.311 25.230 ( 0.000 -5.690 14.030) 15.140 25.720 ( -0.000 10.130 -14.177) 17.424 26.574 ( 0.000 2.972 2.679) 4.002 26.754 ( -0.000 -1.604 -2.272) 2.781 26.985 ( 0.000 2.492 1.412) 2.864 27.204 ( -0.000 -1.383 -1.369) 1.947 27.356 ( 0.000 -4.874 6.215) 7.898 27.499 ( -0.000 4.572 -5.235) 6.950 28.084 ( 0.000 3.629 5.946) 6.966 28.473 ( 0.000 1.097 4.277) 4.416 28.595 ( -0.000 -3.357 -8.247) 8.904 28.675 ( -0.000 -2.008 -0.021) 2.009 29.156 ( 0.000 2.090 1.176) 2.398 29.390 ( -0.000 -2.709 1.886) 3.301 29.779 ( -0.000 -0.686 0.337) 0.764 29.858 ( 0.000 2.487 0.187) 2.494 30.135 ( -0.000 -1.436 0.185) 1.448 30.265 ( 0.000 1.392 -0.276) 1.419 30.337 ( 0.000 2.244 4.556) 5.079 30.867 ( -0.000 -1.506 -3.698) 3.993 ======================= Grid point 18 (18/96) ======================= q-point: ( 0.37 -0.53 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 17.862 6.817 2.693) 19.308 3.559 ( -16.064 -7.831 4.491) 18.426 4.505 ( 5.907 5.523 1.162) 8.170 4.606 ( -10.391 -4.743 3.410) 11.920 6.019 ( -6.899 8.636 -5.244) 12.234 6.165 ( 2.870 -5.590 -4.856) 7.941 6.639 ( -0.534 9.638 -3.696) 10.336 6.838 ( -2.964 -9.782 2.095) 10.434 8.013 ( -37.115 11.522 -0.620) 38.867 8.177 ( 28.121 -5.558 -4.680) 29.045 8.638 ( 14.039 4.186 -2.947) 14.944 8.777 ( -17.825 -8.690 -8.458) 21.559 9.573 ( -15.764 4.713 -2.448) 16.634 9.637 ( 27.307 -1.192 -2.746) 27.471 10.985 ( 12.195 15.576 5.097) 20.428 11.248 ( 0.952 -6.112 3.157) 6.945 11.415 ( -32.849 9.918 -1.947) 34.369 11.626 ( -10.764 13.731 6.161) 18.503 11.792 ( 12.483 -13.411 -3.575) 18.667 12.181 ( 6.285 -31.559 9.996) 33.696 12.966 ( -7.132 8.478 10.078) 14.977 13.254 ( 11.367 -18.478 1.051) 21.720 14.093 ( 2.413 3.410 -0.862) 4.265 14.108 ( -9.978 3.186 0.796) 10.504 15.049 ( -6.492 7.672 -14.316) 17.492 15.219 ( 9.082 -9.840 -10.398) 16.954 16.086 ( 13.629 14.283 1.692) 19.815 16.236 ( 1.677 11.145 7.959) 13.798 16.309 ( -16.820 -3.510 9.531) 19.649 16.475 ( 4.643 -13.746 -3.033) 14.822 16.738 ( 1.075 1.612 4.872) 5.243 16.863 ( 5.952 -9.484 3.006) 11.593 17.116 ( 10.225 11.967 -5.240) 16.589 17.314 ( -8.649 -7.473 -3.693) 12.012 17.800 ( 5.279 16.154 0.909) 17.019 17.866 ( 1.735 10.063 0.200) 10.213 18.043 ( 2.582 -2.973 11.347) 12.011 18.078 ( -9.907 -6.449 7.359) 13.925 18.116 ( -2.280 -0.119 6.618) 7.001 18.185 ( 9.958 -7.845 0.927) 12.711 18.633 ( 8.626 4.544 -5.169) 11.035 18.720 ( -10.081 -4.733 -4.266) 11.926 19.021 ( -1.121 7.032 -4.926) 8.659 19.122 ( -0.650 -2.792 -11.040) 11.406 19.210 ( 14.100 12.490 10.302) 21.470 19.446 ( -11.810 -3.840 7.775) 14.651 19.658 ( -7.951 6.620 -4.078) 11.121 19.829 ( 4.018 -0.411 -4.981) 6.412 20.134 ( -6.554 -6.101 -3.046) 9.458 20.145 ( 15.392 -7.960 -1.911) 17.433 20.253 ( -2.259 5.975 -10.736) 12.493 20.466 ( -0.153 -17.512 -11.794) 21.113 20.908 ( -3.275 4.933 -3.681) 6.972 20.930 ( -1.236 2.431 -6.008) 6.598 21.336 ( -2.674 2.766 6.184) 7.283 21.453 ( 1.886 -8.289 8.373) 11.932 21.755 ( 0.764 2.417 1.709) 3.057 21.801 ( -2.138 -1.869 4.774) 5.554 22.021 ( -0.326 9.720 1.518) 9.844 22.234 ( -0.386 -11.254 -0.362) 11.266 22.571 ( -10.319 1.986 12.974) 16.696 22.638 ( 11.666 -4.591 10.734) 16.505 22.890 ( 2.190 2.994 -3.814) 5.320 22.955 ( -0.291 -3.513 -5.170) 6.257 23.137 ( 1.901 2.467 1.752) 3.574 23.175 ( -3.867 -1.444 0.333) 4.142 23.540 ( 0.140 10.391 -0.813) 10.424 23.676 ( -3.236 -3.455 0.974) 4.833 23.979 ( 0.281 1.993 -1.704) 2.638 24.040 ( 1.643 -3.808 -0.193) 4.152 24.151 ( -1.534 2.690 -6.816) 7.487 24.205 ( 2.779 -2.263 -3.885) 5.285 24.544 ( 4.339 9.214 -4.826) 11.270 24.590 ( 3.366 4.771 3.577) 6.848 24.657 ( -6.535 -2.504 1.612) 7.182 24.738 ( -2.377 -9.026 -1.469) 9.448 25.053 ( 0.624 7.326 -5.617) 9.252 25.216 ( -2.828 -8.801 -2.813) 9.662 26.812 ( 0.016 2.548 1.012) 2.742 26.854 ( 0.798 -1.883 -0.662) 2.150 27.034 ( -0.998 0.749 -0.791) 1.477 27.040 ( -0.026 0.140 -1.222) 1.230 27.388 ( 2.538 5.123 7.523) 9.449 27.509 ( -2.704 -7.121 9.570) 12.231 27.939 ( -5.593 4.272 2.258) 7.391 28.022 ( 5.618 -4.302 0.975) 7.143 28.457 ( -0.560 3.689 -3.339) 5.007 28.533 ( 0.877 -4.227 -4.369) 6.142 29.478 ( 1.210 8.611 -2.174) 8.963 29.633 ( -1.973 -7.200 -2.674) 7.930 29.942 ( 0.487 1.295 -0.097) 1.387 29.953 ( 0.372 0.251 -0.442) 0.630 30.288 ( -0.934 1.223 0.583) 1.646 30.324 ( -0.107 -2.308 1.141) 2.577 30.676 ( 6.137 2.607 1.362) 6.805 30.732 ( -5.186 -2.936 0.680) 5.999 ======================= Grid point 19 (19/96) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -52.481 9.033 0.000) 53.253 2.389 ( -68.952 43.253 0.000) 81.396 2.784 ( -48.347 24.000 0.000) 53.977 3.730 (-102.112 54.450 0.000) 115.722 4.306 ( 2.969 0.505 -0.000) 3.011 4.351 ( 4.206 2.096 0.000) 4.699 5.701 ( 8.750 16.210 0.000) 18.421 6.073 ( -4.620 7.820 0.000) 9.082 6.434 ( -7.841 -1.915 0.000) 8.071 6.733 ( -7.719 1.072 0.000) 7.793 7.470 ( -5.637 -6.376 -0.000) 8.511 9.391 ( 11.262 0.068 -0.000) 11.262 9.923 ( 3.558 6.447 0.000) 7.364 10.212 ( 4.275 -0.542 -0.000) 4.309 10.625 ( -0.895 -6.148 -0.000) 6.213 10.756 ( -14.586 2.172 0.000) 14.747 11.631 ( 25.294 29.954 0.000) 39.205 12.076 ( 24.957 -15.166 -0.000) 29.203 12.181 ( -1.922 2.375 0.000) 3.055 13.030 ( -6.805 -23.747 -0.000) 24.703 13.198 ( -11.893 -8.042 -0.000) 14.357 13.369 ( 5.940 -36.503 -0.000) 36.983 14.379 ( 6.146 -14.482 -0.000) 15.732 14.472 ( 11.878 -0.565 -0.000) 11.891 15.038 ( 10.643 16.866 0.000) 19.943 15.362 ( 2.433 2.806 0.000) 3.713 15.726 ( -4.023 11.920 0.000) 12.580 15.951 ( 7.291 -0.709 -0.000) 7.325 16.198 ( -10.615 3.207 0.000) 11.089 16.481 ( -16.601 4.799 0.000) 17.281 16.731 ( -2.737 -1.461 -0.000) 3.103 16.923 ( -17.496 3.198 0.000) 17.786 17.072 ( 4.337 4.291 0.000) 6.102 17.277 ( -3.145 24.959 0.000) 25.156 17.415 ( -13.047 4.510 0.000) 13.805 17.433 ( 6.583 -17.649 -0.000) 18.837 17.800 ( 1.784 -4.020 -0.000) 4.398 17.866 ( -1.167 10.027 0.000) 10.094 18.100 ( -1.784 -3.862 -0.000) 4.254 18.189 ( 1.047 8.883 0.000) 8.944 18.264 ( -9.860 -7.467 -0.000) 12.369 18.389 ( 1.416 -7.420 -0.000) 7.554 18.926 ( -18.941 -5.935 -0.000) 19.849 19.152 ( 11.054 -0.083 -0.000) 11.054 19.532 ( 0.278 9.057 0.000) 9.061 19.918 ( -5.931 -3.504 -0.000) 6.889 20.227 ( 10.832 0.248 -0.000) 10.835 20.240 ( 3.539 -4.241 -0.000) 5.523 20.561 ( 12.811 -2.396 -0.000) 13.033 20.604 ( 6.289 -6.150 -0.000) 8.796 20.814 ( 4.888 3.895 0.000) 6.250 20.816 ( 7.820 -0.213 -0.000) 7.823 20.984 ( 4.508 5.905 0.000) 7.429 21.273 ( 22.479 -2.860 -0.000) 22.660 21.306 ( -5.906 -4.649 -0.000) 7.516 21.434 ( 3.045 -1.612 -0.000) 3.445 21.592 ( 0.826 5.857 0.000) 5.915 21.872 ( 6.782 -18.563 -0.000) 19.763 21.925 ( -1.272 -2.046 -0.000) 2.409 22.019 ( -15.328 -1.957 0.000) 15.452 22.241 ( -6.909 -9.309 -0.000) 11.592 22.438 ( 4.926 -3.068 -0.000) 5.803 22.792 ( -13.681 -1.332 0.000) 13.745 23.032 ( -6.714 4.397 0.000) 8.026 23.318 ( 9.301 0.648 -0.000) 9.324 23.333 ( 2.378 4.699 0.000) 5.267 23.692 ( 1.412 2.027 0.000) 2.470 23.752 ( 3.894 -0.447 -0.000) 3.919 23.851 ( -1.323 -0.958 -0.000) 1.633 23.985 ( 4.507 -1.069 -0.000) 4.632 24.131 ( -1.766 9.774 0.000) 9.933 24.211 ( -3.180 14.464 0.000) 14.809 24.338 ( -5.847 -0.668 0.000) 5.885 24.452 ( -2.260 2.625 0.000) 3.463 24.893 ( 1.243 -3.869 -0.000) 4.064 25.167 ( -3.703 -4.975 -0.000) 6.202 25.225 ( 20.383 -4.117 -0.000) 20.795 25.554 ( 21.123 10.322 0.000) 23.510 26.627 ( -10.502 2.081 0.000) 10.706 26.797 ( -0.626 -0.211 -0.000) 0.661 26.911 ( -0.738 4.270 0.000) 4.334 27.099 ( 2.176 -0.342 -0.000) 2.203 27.424 ( -3.927 -4.312 -0.000) 5.832 27.607 ( -6.362 3.610 0.000) 7.314 27.792 ( 6.327 3.260 0.000) 7.117 28.341 ( -1.788 0.781 0.000) 1.951 28.632 ( 7.078 -2.056 -0.000) 7.371 28.862 ( 4.334 -3.046 -0.000) 5.297 29.099 ( -2.940 2.528 0.000) 3.878 29.404 ( -3.858 -2.939 -0.000) 4.850 29.773 ( -2.943 6.454 0.000) 7.093 29.981 ( -5.465 -11.146 -0.000) 12.414 30.175 ( -0.370 -1.806 -0.000) 1.843 30.227 ( -2.268 1.672 0.000) 2.818 30.285 ( -6.797 -0.432 0.000) 6.810 30.978 ( 1.462 -0.885 -0.000) 1.709 ======================= Grid point 20 (20/96) ======================= q-point: ( 0.16 0.34 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 22.812 0.307 -4.903) 23.335 3.773 ( -16.371 -0.986 3.324) 16.734 4.359 ( 6.152 -0.640 0.595) 6.214 4.702 ( -8.915 0.951 4.983) 10.258 5.891 ( 14.072 9.603 5.535) 17.913 6.171 ( 5.109 3.043 -2.924) 6.626 6.669 ( 4.856 -2.015 1.375) 5.434 6.955 ( 1.043 -8.482 9.583) 12.839 7.391 ( 24.563 13.902 16.766) 32.829 8.154 ( 19.333 13.002 9.414) 25.129 8.718 ( -7.650 -6.649 -5.762) 11.659 9.374 ( 14.512 -20.658 -1.668) 25.301 9.609 ( -9.255 -0.319 12.254) 15.359 9.932 ( -0.121 -7.885 -17.983) 19.636 10.447 ( -1.687 14.519 -16.116) 21.757 10.653 ( 14.820 15.473 -10.499) 23.859 11.402 ( 5.750 18.092 -0.488) 18.990 11.639 ( -8.287 -11.255 18.979) 23.570 11.812 ( 5.477 1.911 33.160) 33.663 12.495 ( -6.866 -25.356 -9.270) 27.857 13.047 ( 2.537 -7.447 -14.377) 16.389 13.169 ( 7.571 -5.139 -0.033) 9.150 13.685 ( 11.620 -2.809 2.592) 12.232 14.139 ( 9.438 -10.657 1.350) 14.299 15.282 ( 8.061 -4.142 4.100) 9.947 15.547 ( 4.744 15.009 -5.760) 16.762 15.599 ( 4.656 3.202 -1.092) 5.755 15.984 ( -10.561 0.953 -5.906) 12.138 16.161 ( 2.423 6.240 3.966) 7.781 16.656 ( 0.925 -3.774 -5.349) 6.612 16.901 ( -0.901 -2.992 0.050) 3.125 16.955 ( -6.177 1.035 -0.719) 6.304 17.224 ( 4.522 1.862 -1.597) 5.144 17.325 ( 6.070 -2.551 -2.035) 6.892 17.380 ( -5.687 -0.354 -2.094) 6.071 17.513 ( 6.310 12.592 3.573) 14.531 17.581 ( 7.150 11.806 0.581) 13.814 17.989 ( -7.798 -8.837 -12.237) 16.990 18.141 ( -11.796 2.397 7.252) 14.053 18.308 ( -18.660 3.397 -9.046) 21.013 18.410 ( -10.190 8.860 -9.075) 16.269 18.703 ( 3.014 -10.507 -2.087) 11.128 19.182 ( 1.336 -6.442 1.570) 6.764 19.373 ( 4.932 1.776 -1.429) 5.433 19.451 ( 11.801 2.019 -1.384) 12.052 19.592 ( 4.029 -1.632 14.802) 15.428 19.682 ( 1.730 7.870 5.667) 9.851 20.059 ( -7.746 -2.373 -0.512) 8.118 20.307 ( 7.285 -3.918 0.108) 8.272 20.340 ( -0.253 -1.989 -3.174) 3.754 20.571 ( -0.474 2.710 8.056) 8.512 20.662 ( -9.371 -0.459 -5.429) 10.840 20.802 ( -17.879 0.428 2.948) 18.126 21.038 ( -7.731 4.404 -2.176) 9.160 21.366 ( 0.319 -5.591 -3.574) 6.644 21.464 ( -6.150 -2.149 3.021) 7.181 21.651 ( -3.580 1.196 -0.572) 3.817 21.691 ( 2.150 4.081 2.059) 5.051 21.895 ( 6.402 5.583 -0.597) 8.516 22.209 ( -2.756 -18.981 1.787) 19.263 22.342 ( 7.972 -12.794 -2.950) 15.360 22.468 ( 5.791 -4.349 -3.179) 7.909 22.997 ( 0.457 -0.235 -0.658) 0.834 23.047 ( -2.109 2.027 0.354) 2.946 23.092 ( -5.522 2.173 -1.158) 6.046 23.198 ( -1.277 12.617 -0.126) 12.683 23.509 ( -10.743 0.178 2.080) 10.944 23.595 ( -8.795 4.594 4.393) 10.852 23.853 ( 4.908 1.889 -2.874) 5.993 24.136 ( -0.327 -2.151 -1.083) 2.430 24.287 ( 3.912 4.430 -3.728) 6.988 24.341 ( 2.019 -1.173 0.807) 2.471 24.369 ( 0.782 0.596 0.799) 1.267 24.566 ( 4.237 -0.888 5.432) 6.946 24.797 ( -0.889 1.181 2.075) 2.548 24.873 ( 2.836 -1.449 -1.250) 3.421 25.119 ( 0.069 2.074 0.577) 2.154 25.479 ( -6.358 -4.525 2.109) 8.084 26.663 ( -2.009 4.002 -1.987) 4.899 27.008 ( 1.538 -1.985 2.366) 3.450 27.030 ( 2.440 0.454 5.049) 5.626 27.087 ( -0.878 -1.115 -7.871) 7.998 27.164 ( -0.550 -1.047 -2.703) 2.951 27.273 ( -4.331 -1.581 5.147) 6.910 27.830 ( -4.705 2.713 4.131) 6.823 28.061 ( -4.378 -2.547 -4.264) 6.621 28.522 ( -1.825 2.597 0.551) 3.222 28.784 ( -0.467 -4.718 -0.526) 4.770 29.342 ( 2.692 7.014 -0.540) 7.532 29.794 ( 5.600 -5.178 1.729) 7.820 29.866 ( 3.238 1.995 -0.879) 3.903 29.967 ( 0.250 2.184 0.012) 2.198 30.273 ( 0.062 -0.911 1.243) 1.543 30.294 ( 1.331 -1.515 0.075) 2.018 30.533 ( 2.590 1.034 -2.858) 3.993 30.780 ( -0.887 -1.144 1.249) 1.912 ======================= Grid point 21 (21/96) ======================= q-point: (-0.04 -0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -26.861 0.000 14.502) 30.526 4.053 ( 13.928 -0.000 -1.878) 14.054 4.077 ( -17.178 0.000 -17.291) 24.374 4.515 ( -5.154 0.000 -13.220) 14.189 4.801 ( -42.743 0.000 -32.899) 53.938 5.930 ( -29.929 0.000 -22.272) 37.307 6.107 ( -8.440 0.000 3.903) 9.299 6.343 ( -13.842 0.000 -13.665) 19.451 6.796 ( -6.205 0.000 -8.661) 10.654 7.188 ( -38.860 0.000 -26.907) 47.267 8.913 ( -13.236 0.000 -22.431) 26.045 9.003 ( -19.844 0.000 -16.558) 25.845 9.890 ( 12.711 -0.000 2.543) 12.963 10.007 ( 16.868 -0.000 4.516) 17.462 10.413 ( -15.785 0.000 17.224) 23.363 10.529 ( -6.002 -0.000 36.934) 37.418 10.954 ( -14.457 0.000 5.159) 15.350 11.539 ( 21.121 -0.000 -15.278) 26.068 11.671 ( 17.037 -0.000 -2.646) 17.241 13.252 ( 9.864 -0.000 26.843) 28.598 13.420 ( -16.903 0.000 17.782) 24.534 13.531 ( -0.514 -0.000 11.611) 11.623 13.593 ( 1.270 -0.000 0.057) 1.272 13.972 ( 2.151 -0.000 -3.957) 4.504 15.139 ( 1.019 0.000 -9.869) 9.922 15.302 ( -21.370 0.000 6.349) 22.293 15.330 ( -5.730 0.000 6.115) 8.380 16.056 ( 9.172 -0.000 -6.119) 11.026 16.612 ( 15.055 -0.000 5.499) 16.028 16.659 ( -3.311 0.000 1.341) 3.572 16.728 ( -4.496 0.000 -2.003) 4.922 17.087 ( -12.784 0.000 -2.758) 13.078 17.111 ( 2.546 -0.000 -0.885) 2.696 17.234 ( 1.787 0.000 -9.103) 9.277 17.285 ( 4.416 -0.000 4.384) 6.223 17.360 ( -0.975 -0.000 4.115) 4.229 17.734 ( 11.013 -0.000 0.430) 11.022 18.144 ( 5.574 -0.000 0.522) 5.599 18.321 ( -1.197 -0.000 7.183) 7.282 18.543 ( -22.977 0.000 -11.355) 25.630 18.755 ( 0.136 -0.000 4.074) 4.076 18.787 ( -28.848 0.000 -13.434) 31.822 18.928 ( 7.076 -0.000 8.779) 11.276 18.978 ( -4.456 0.000 -4.730) 6.498 19.393 ( 16.342 -0.000 23.888) 28.943 19.399 ( 1.339 0.000 -10.871) 10.953 19.871 ( -14.430 0.000 -0.246) 14.432 19.921 ( 15.693 -0.000 3.304) 16.037 20.234 ( -5.883 0.000 -3.972) 7.098 20.285 ( 2.748 -0.000 10.175) 10.540 20.696 ( 8.678 -0.000 -0.321) 8.684 20.896 ( 27.607 -0.000 -7.676) 28.654 21.076 ( 2.136 0.000 -12.577) 12.757 21.236 ( 7.008 -0.000 3.322) 7.755 21.494 ( 2.556 -0.000 -6.187) 6.694 21.627 ( 10.086 -0.000 9.803) 14.065 21.708 ( 9.814 -0.000 4.301) 10.715 21.721 ( -1.194 0.000 0.019) 1.194 21.816 ( 4.969 -0.000 -8.539) 9.879 22.261 ( -5.514 0.000 -1.925) 5.840 22.386 ( -4.927 0.000 5.173) 7.144 22.604 ( -2.445 0.000 -4.683) 5.283 22.982 ( -0.891 0.000 0.821) 1.211 23.067 ( 0.533 -0.000 4.144) 4.178 23.134 ( 3.203 -0.000 -0.797) 3.301 23.144 ( 2.599 -0.000 5.848) 6.400 23.503 ( -1.297 0.000 -4.333) 4.523 23.761 ( 10.307 -0.000 -3.490) 10.882 23.896 ( -0.204 -0.000 3.380) 3.386 24.125 ( -4.338 0.000 -5.765) 7.215 24.141 ( -3.792 0.000 -4.506) 5.889 24.236 ( -7.154 0.000 -1.715) 7.357 24.326 ( -6.255 0.000 6.260) 8.850 24.479 ( 11.776 -0.000 2.497) 12.037 24.620 ( -3.475 0.000 -1.368) 3.735 24.988 ( 3.939 -0.000 0.982) 4.060 25.106 ( 8.618 -0.000 -2.381) 8.940 25.487 ( -0.255 0.000 -8.317) 8.321 26.739 ( -2.132 0.000 3.291) 3.921 26.869 ( -1.260 0.000 -2.100) 2.449 26.896 ( -3.680 0.000 -2.021) 4.198 27.205 ( 3.578 -0.000 -3.968) 5.343 27.303 ( 3.315 -0.000 4.868) 5.890 27.425 ( 0.843 -0.000 9.552) 9.589 27.802 ( 5.220 -0.000 -5.894) 7.873 28.359 ( 7.976 -0.000 7.332) 10.834 28.478 ( 0.908 0.000 -4.067) 4.168 28.818 ( 0.714 0.000 -2.016) 2.138 29.197 ( -3.615 0.000 -1.524) 3.923 29.641 ( -7.371 0.000 -2.823) 7.893 29.753 ( -5.070 0.000 1.222) 5.215 29.975 ( 1.744 -0.000 1.040) 2.030 30.242 ( -1.216 0.000 -1.238) 1.736 30.287 ( -2.301 0.000 1.085) 2.544 30.457 ( -7.471 0.000 -1.273) 7.579 30.843 ( 2.767 -0.000 3.140) 4.185 ======================= Grid point 22 (22/96) ======================= q-point: (-0.04 0.21 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 27.892 -0.000 -23.592) 36.532 3.570 ( 47.090 -0.000 24.926) 53.280 3.942 ( 11.161 -0.000 12.906) 17.062 4.244 ( 33.271 -0.000 14.884) 36.449 4.371 ( 3.825 -0.000 2.743) 4.707 5.643 ( 23.919 -0.000 7.245) 24.993 5.915 ( 50.817 -0.000 26.394) 57.263 6.142 ( 4.929 -0.000 2.121) 5.366 6.688 ( 23.065 -0.000 3.922) 23.396 6.854 ( 39.613 -0.000 -4.269) 39.842 8.225 ( 20.724 -0.000 32.030) 38.150 9.001 ( -15.386 0.000 -1.173) 15.431 9.886 ( -7.377 0.000 1.549) 7.538 10.045 ( -13.855 0.000 -0.830) 13.880 10.507 ( -10.416 0.000 1.903) 10.589 11.060 ( 4.298 -0.000 -5.107) 6.675 11.109 ( 15.333 -0.000 -7.818) 17.211 11.610 ( -21.861 0.000 3.054) 22.073 11.716 ( -8.893 0.000 -31.871) 33.089 13.532 ( 13.947 -0.000 -0.983) 13.981 13.552 ( -10.844 0.000 2.019) 11.031 13.653 ( 16.480 -0.000 4.027) 16.965 13.822 ( -13.581 0.000 -23.968) 27.549 14.038 ( -24.337 0.000 -5.000) 24.845 14.934 ( -1.465 -0.000 9.487) 9.600 15.382 ( 12.410 -0.000 -0.872) 12.441 15.511 ( 6.317 -0.000 -10.975) 12.663 15.963 ( -4.100 0.000 0.683) 4.157 16.501 ( 5.008 -0.000 10.497) 11.630 16.751 ( 6.222 -0.000 -5.180) 8.096 16.811 ( -13.885 0.000 -4.262) 14.524 17.022 ( 0.533 -0.000 1.824) 1.900 17.049 ( 28.959 -0.000 0.346) 28.962 17.167 ( 4.860 -0.000 0.952) 4.952 17.430 ( -7.384 0.000 -8.523) 11.277 17.461 ( 4.174 -0.000 -4.761) 6.331 17.717 ( -9.494 0.000 2.487) 9.814 18.119 ( 10.826 -0.000 11.020) 15.448 18.290 ( -0.732 0.000 0.486) 0.879 18.294 ( 8.747 -0.000 10.184) 13.425 18.478 ( 25.336 -0.000 7.943) 26.552 18.753 ( 2.728 -0.000 5.703) 6.322 18.991 ( -9.144 0.000 6.658) 11.312 19.148 ( -3.320 0.000 -14.659) 15.030 19.379 ( 15.206 -0.000 -11.338) 18.968 19.816 ( -12.125 0.000 -13.855) 18.412 19.909 ( -11.246 0.000 -2.842) 11.599 19.957 ( -18.864 0.000 -3.404) 19.169 20.256 ( 5.963 -0.000 -6.493) 8.816 20.424 ( -10.169 0.000 -3.205) 10.662 20.641 ( -16.627 0.000 13.436) 21.377 20.717 ( -24.786 0.000 7.459) 25.884 20.775 ( -2.039 -0.000 6.897) 7.192 21.273 ( -5.332 0.000 3.149) 6.193 21.451 ( 0.305 -0.000 18.405) 18.408 21.456 ( 6.772 -0.000 -2.808) 7.331 21.677 ( 5.301 -0.000 2.592) 5.901 21.873 ( -1.514 0.000 -7.565) 7.716 21.876 ( -14.033 0.000 -11.324) 18.032 22.222 ( 5.247 -0.000 1.950) 5.597 22.441 ( 2.994 -0.000 9.485) 9.947 22.454 ( 5.523 -0.000 -1.242) 5.661 23.009 ( 6.172 -0.000 -1.232) 6.294 23.096 ( -5.754 0.000 0.160) 5.756 23.202 ( 1.771 -0.000 3.208) 3.664 23.208 ( -1.380 0.000 -7.827) 7.948 23.535 ( 1.515 0.000 -6.771) 6.938 23.696 ( -10.855 0.000 1.610) 10.973 23.867 ( 2.614 -0.000 5.753) 6.318 24.027 ( 1.624 -0.000 5.372) 5.612 24.065 ( 4.786 -0.000 0.150) 4.788 24.250 ( 7.341 -0.000 -1.299) 7.455 24.456 ( 5.783 -0.000 -5.379) 7.898 24.460 ( -3.976 0.000 2.500) 4.696 24.678 ( -13.952 0.000 -4.837) 14.767 24.959 ( -4.297 0.000 3.311) 5.425 25.054 ( -14.864 0.000 1.971) 14.994 25.346 ( 2.571 -0.000 4.815) 5.459 26.788 ( 5.651 -0.000 -1.407) 5.824 26.835 ( -0.149 -0.000 1.605) 1.612 26.886 ( 3.014 -0.000 -0.924) 3.152 27.099 ( -4.018 0.000 5.034) 6.441 27.415 ( -2.487 0.000 -5.920) 6.422 27.662 ( 6.478 -0.000 -10.876) 12.659 27.688 ( -4.195 0.000 5.333) 6.785 28.397 ( 0.009 -0.000 3.246) 3.246 28.461 ( -9.056 0.000 -1.660) 9.207 28.773 ( -4.519 0.000 1.332) 4.711 29.162 ( 3.895 -0.000 1.487) 4.170 29.580 ( 6.287 -0.000 2.672) 6.831 29.776 ( 4.328 -0.000 -0.910) 4.422 30.011 ( -2.819 0.000 -2.106) 3.519 30.216 ( 0.666 -0.000 1.110) 1.294 30.330 ( 2.913 -0.000 -2.520) 3.852 30.427 ( 9.875 -0.000 1.246) 9.953 30.905 ( -3.668 0.000 -2.409) 4.388 ======================= Grid point 23 (23/96) ======================= q-point: (-0.25 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -23.089 -2.700 -0.144) 23.247 3.870 ( 15.072 2.590 -5.749) 16.338 4.368 ( -4.215 0.007 0.034) 4.215 4.810 ( 11.065 2.231 -6.476) 13.013 5.941 ( -6.588 -6.629 -1.040) 9.403 6.132 ( -6.496 -1.821 1.493) 6.909 6.694 ( -1.645 3.031 0.657) 3.511 7.054 ( 5.267 8.425 -1.111) 9.998 7.602 ( -19.689 -2.985 -3.729) 20.260 8.169 ( -13.998 -3.686 8.219) 16.646 8.716 ( 7.937 1.270 -5.735) 9.874 9.269 ( -29.756 10.795 12.904) 34.183 9.630 ( 23.623 2.610 10.627) 26.035 9.967 ( 21.770 -2.668 -15.677) 26.960 10.224 ( -14.049 -13.320 1.265) 19.401 10.421 ( -21.727 -12.735 1.480) 25.227 11.395 ( -2.575 -17.428 -0.199) 17.618 11.859 ( -4.563 22.438 2.525) 23.036 12.287 ( -13.558 24.889 0.219) 28.344 12.540 ( 18.477 5.524 -22.827) 29.882 12.846 ( 2.483 3.187 -0.241) 4.047 13.211 ( -13.520 2.084 -2.674) 13.938 13.883 ( -5.571 0.413 -13.466) 14.579 14.129 ( -12.290 8.711 1.966) 15.192 15.313 ( -4.904 -6.412 7.394) 10.947 15.362 ( 4.899 1.913 5.082) 7.313 15.658 ( -4.811 -5.794 -4.536) 8.791 15.923 ( 2.123 -2.427 0.114) 3.226 16.158 ( -5.120 -11.798 1.191) 12.916 16.582 ( -1.265 4.628 0.795) 4.863 16.895 ( 1.103 -2.616 3.648) 4.622 16.935 ( 9.733 4.935 -0.818) 10.944 17.084 ( -0.575 -0.212 10.121) 10.140 17.347 ( 0.471 1.256 -2.307) 2.669 17.377 ( -2.158 -0.808 -3.000) 3.783 17.502 ( -10.191 -13.571 2.216) 17.115 17.641 ( 1.103 -7.559 -2.524) 8.045 17.902 ( -0.584 1.805 -8.044) 8.265 18.174 ( 10.630 -6.260 5.655) 13.571 18.302 ( 7.920 -1.236 -6.144) 10.099 18.422 ( -0.660 -6.981 -7.732) 10.438 18.635 ( -4.910 1.554 3.909) 6.465 19.141 ( 16.596 -2.686 9.412) 19.267 19.178 ( -15.563 1.853 11.828) 19.636 19.350 ( -4.940 -0.773 6.853) 8.484 19.702 ( -0.274 -2.629 1.882) 3.245 19.793 ( -20.604 4.642 0.919) 21.140 20.013 ( 4.729 7.584 4.630) 10.066 20.204 ( 20.532 5.008 3.557) 21.431 20.281 ( -8.781 -2.565 2.064) 9.378 20.517 ( 13.234 0.276 1.994) 13.386 20.810 ( 12.279 5.380 -4.709) 14.208 20.917 ( 5.235 -2.668 -4.078) 7.153 20.976 ( 5.079 -5.295 2.636) 7.797 21.281 ( -4.489 0.341 2.234) 5.026 21.518 ( 2.610 4.922 -4.157) 6.951 21.728 ( -1.546 -1.441 -3.513) 4.099 21.797 ( 6.549 -1.456 -8.739) 11.017 21.821 ( -2.831 1.790 3.948) 5.178 22.271 ( -7.781 11.831 -4.818) 14.958 22.347 ( -9.207 5.181 -3.372) 11.089 22.414 ( -4.895 6.460 1.843) 8.312 22.986 ( -1.322 -1.420 1.058) 2.210 23.051 ( 2.067 -1.316 -0.456) 2.493 23.098 ( 10.641 -2.957 -2.741) 11.379 23.208 ( 2.612 -9.528 -0.123) 9.880 23.536 ( 12.203 0.210 0.576) 12.219 23.714 ( 6.606 -2.928 -6.350) 9.619 23.841 ( -6.084 -0.378 -2.544) 6.605 24.100 ( -0.289 -1.000 3.102) 3.272 24.206 ( -3.466 -3.891 3.321) 6.180 24.307 ( -2.376 0.842 4.172) 4.874 24.381 ( -0.461 0.351 0.622) 0.850 24.584 ( -2.754 -1.257 7.829) 8.394 24.726 ( 4.554 1.219 -1.870) 5.072 24.944 ( -0.633 3.334 -2.334) 4.119 25.076 ( -0.637 -2.607 4.070) 4.876 25.503 ( 8.791 5.654 -0.592) 10.469 26.669 ( 0.089 -4.155 -2.399) 4.798 26.943 ( 1.948 1.665 4.030) 4.776 27.060 ( -1.925 1.209 -0.241) 2.286 27.095 ( 2.580 -0.299 1.963) 3.256 27.159 ( -2.950 -1.128 -5.512) 6.352 27.450 ( 4.364 4.131 -11.206) 12.716 27.929 ( 7.088 -2.806 -5.090) 9.166 28.014 ( 1.040 2.286 0.397) 2.543 28.494 ( 2.500 -2.660 3.005) 4.728 28.727 ( -0.062 4.585 4.693) 6.561 29.316 ( -2.979 -6.757 1.806) 7.602 29.793 ( -4.694 5.171 1.839) 7.222 29.852 ( -4.293 -2.157 0.402) 4.821 29.956 ( 0.304 -1.616 0.868) 1.859 30.293 ( 0.805 0.703 -0.781) 1.323 30.323 ( -1.027 1.895 -2.186) 3.070 30.490 ( -4.290 -1.768 1.147) 4.780 30.816 ( 1.144 1.224 -1.973) 2.588 ======================= Grid point 24 (24/96) ======================= q-point: (-0.25 0.08 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 40.298 6.678 11.722) 42.496 2.825 ( 48.444 -35.744 -36.852) 70.587 3.215 ( 46.536 -39.583 -44.253) 75.437 4.247 ( 16.670 -5.721 -12.365) 21.530 4.342 ( -3.256 -1.894 -0.943) 3.883 4.564 ( 60.872 -41.391 -51.324) 89.737 5.649 ( -0.904 -17.228 2.807) 17.479 6.125 ( 4.669 -9.788 -4.312) 11.670 6.246 ( 16.337 -3.238 7.220) 18.152 6.733 ( 0.208 -2.951 -4.840) 5.673 7.944 ( -2.256 22.113 -26.074) 34.262 9.290 ( -7.573 -0.822 8.791) 11.632 9.933 ( -6.555 3.460 1.729) 7.612 10.189 ( 1.359 0.143 3.783) 4.023 10.351 ( 6.396 12.289 17.604) 22.401 10.894 ( 8.270 -10.671 -6.135) 14.829 11.436 ( -12.996 -28.769 15.063) 34.978 11.979 ( -16.483 5.653 7.263) 18.879 12.152 ( -16.595 0.039 1.550) 16.667 13.027 ( 9.154 21.319 1.920) 23.281 13.146 ( 10.302 16.908 3.963) 20.192 13.376 ( 1.005 28.067 1.043) 28.105 14.088 ( -7.765 1.429 30.737) 31.735 14.229 ( -2.505 17.391 15.673) 23.545 15.085 ( -7.496 -12.311 -3.480) 14.828 15.231 ( 3.014 -5.638 8.988) 11.030 15.592 ( 2.421 -10.562 8.024) 13.484 16.046 ( -6.221 1.273 -7.082) 9.512 16.412 ( 5.893 -5.500 -15.159) 17.169 16.604 ( 10.993 -0.397 0.565) 11.015 16.706 ( 7.769 -5.776 -7.747) 12.399 16.977 ( 0.389 0.826 -4.868) 4.953 17.040 ( -2.511 1.351 0.308) 2.868 17.185 ( -3.584 -3.465 -1.470) 5.198 17.418 ( 9.351 -3.299 -1.166) 9.985 17.568 ( -1.725 -15.874 1.762) 16.064 17.782 ( -0.001 3.907 0.670) 3.964 17.948 ( 2.594 -0.472 -7.178) 7.647 18.090 ( 5.559 2.313 -0.805) 6.075 18.283 ( 2.116 -5.034 -7.706) 9.445 18.327 ( -2.124 0.458 -6.164) 6.535 18.552 ( 8.178 8.534 -13.190) 17.711 18.861 ( 15.359 3.542 3.480) 16.142 19.191 ( -7.105 -0.256 -2.437) 7.516 19.367 ( -8.063 -6.925 14.344) 17.853 19.855 ( 0.647 4.250 10.304) 11.165 20.064 ( 4.409 3.560 6.297) 8.472 20.178 ( -7.989 -1.577 10.799) 13.525 20.236 ( -2.447 -6.137 16.575) 17.843 20.532 ( 4.291 0.176 5.314) 6.833 20.831 ( -13.289 5.367 -8.265) 16.545 20.961 ( -6.834 -5.486 1.411) 8.876 21.239 ( -10.473 5.820 -6.733) 13.744 21.342 ( -3.860 1.594 1.082) 4.314 21.374 ( 1.457 4.369 -18.478) 19.043 21.482 ( -9.631 0.828 -9.118) 13.288 21.627 ( -3.805 -2.258 -3.246) 5.488 21.853 ( -5.933 9.050 0.951) 10.863 21.962 ( -3.285 7.213 -2.605) 8.343 22.124 ( 8.576 6.413 -7.642) 13.156 22.264 ( 2.261 6.404 -1.483) 6.952 22.410 ( -4.298 4.343 1.811) 6.374 22.823 ( 11.286 0.489 -2.558) 11.582 23.117 ( 7.318 -3.475 -7.654) 11.145 23.236 ( -2.231 -4.910 6.797) 8.677 23.287 ( -6.346 -0.748 3.231) 7.160 23.632 ( -3.510 -4.450 5.273) 7.741 23.785 ( -2.022 2.585 -2.327) 4.024 23.900 ( 0.790 -1.408 -4.396) 4.683 23.966 ( -2.351 -0.755 0.897) 2.627 24.117 ( 3.457 -3.418 0.824) 4.931 24.156 ( 4.225 -10.160 4.243) 11.794 24.334 ( 7.429 -5.669 3.484) 9.973 24.469 ( 1.165 -1.327 -2.990) 3.472 24.927 ( -7.491 3.864 -1.159) 8.508 25.151 ( -15.180 3.613 6.286) 16.823 25.211 ( 4.483 4.494 -4.779) 7.945 25.511 ( -18.064 -9.483 3.930) 20.777 26.620 ( 9.730 -1.829 0.270) 9.904 26.813 ( 1.492 0.599 -0.178) 1.618 26.911 ( -2.030 -1.574 -0.556) 2.628 27.165 ( -1.675 -0.289 -4.881) 5.169 27.407 ( 2.175 3.831 1.536) 4.665 27.536 ( 2.761 -2.511 5.683) 6.799 27.838 ( -5.413 -3.124 -4.105) 7.478 28.385 ( 1.492 -0.704 -3.844) 4.183 28.623 ( -7.294 1.788 1.792) 7.721 28.818 ( -1.875 2.819 3.121) 4.605 29.117 ( 3.220 -2.796 -1.650) 4.573 29.435 ( 3.594 2.872 -2.463) 5.218 29.757 ( 3.152 -6.147 1.508) 7.070 29.954 ( 4.770 7.147 1.261) 8.684 30.176 ( 1.193 1.408 0.118) 1.849 30.237 ( 1.247 -0.704 -0.786) 1.634 30.286 ( 6.287 -1.496 -1.156) 6.565 30.950 ( -1.388 0.833 2.616) 3.076 ======================= Grid point 25 (25/96) ======================= q-point: (-0.45 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( -18.206 -7.642 -0.000) 19.745 3.610 ( 15.790 9.220 0.000) 18.285 4.525 ( -6.862 -7.087 -0.000) 9.864 4.648 ( 12.362 5.585 0.000) 13.565 5.956 ( 8.708 -8.382 -0.000) 12.087 6.110 ( -1.837 7.165 0.000) 7.397 6.593 ( 0.836 -13.898 -0.000) 13.923 6.857 ( 1.438 12.587 0.000) 12.668 8.009 ( 49.683 -10.105 -0.000) 50.701 8.125 ( -37.377 2.427 0.000) 37.456 8.607 ( -25.066 0.821 0.000) 25.079 8.692 ( 23.655 8.358 0.000) 25.088 9.541 ( 16.611 -6.823 -0.000) 17.958 9.602 ( -29.249 -1.526 0.000) 29.289 11.040 ( -7.424 -13.150 -0.000) 15.101 11.279 ( 2.200 9.667 0.000) 9.914 11.370 ( 40.043 -13.015 -0.000) 42.105 11.716 ( -25.842 21.415 0.000) 33.562 11.744 ( 17.841 -26.089 -0.000) 31.606 12.319 ( -7.693 32.514 0.000) 33.411 13.169 ( 1.486 4.678 0.000) 4.908 13.171 ( -11.160 6.602 0.000) 12.967 14.079 ( 7.476 -4.362 -0.000) 8.656 14.128 ( 1.177 -0.039 -0.000) 1.177 14.876 ( 8.667 -10.471 -0.000) 13.593 15.092 ( -9.072 10.804 0.000) 14.108 16.091 ( -15.880 -14.929 -0.000) 21.796 16.384 ( -5.585 -8.586 -0.000) 10.243 16.412 ( 14.736 15.149 0.000) 21.134 16.461 ( 3.096 2.849 0.000) 4.207 16.817 ( 1.826 -1.906 -0.000) 2.640 16.890 ( -10.328 0.093 0.000) 10.328 17.054 ( -15.217 -4.537 -0.000) 15.879 17.228 ( 14.621 8.358 0.000) 16.841 17.818 ( -14.786 -14.151 -0.000) 20.467 17.833 ( 6.505 -10.279 -0.000) 12.164 18.101 ( -6.840 5.230 0.000) 8.610 18.134 ( 5.677 6.619 0.000) 8.720 18.289 ( 16.832 1.093 -0.000) 16.868 18.304 ( -17.124 2.344 0.000) 17.284 18.546 ( -9.150 -0.398 0.000) 9.159 18.550 ( 13.721 -0.169 -0.000) 13.722 18.948 ( 3.384 -1.671 -0.000) 3.775 18.980 ( -1.208 2.037 0.000) 2.368 19.401 ( -4.044 -22.440 -0.000) 22.802 19.558 ( -11.867 -15.377 -0.000) 19.424 19.705 ( 12.838 11.385 0.000) 17.159 19.776 ( -5.344 -2.408 -0.000) 5.862 20.004 ( 6.116 -0.233 -0.000) 6.121 20.132 ( -16.253 9.108 0.000) 18.631 20.161 ( 7.963 2.604 0.000) 8.378 20.300 ( -0.630 24.554 0.000) 24.562 20.841 ( 4.188 -2.412 -0.000) 4.833 20.856 ( 2.444 -1.409 -0.000) 2.821 21.427 ( 2.888 -5.713 -0.000) 6.401 21.547 ( -1.247 6.731 0.000) 6.846 21.769 ( 1.553 -4.495 -0.000) 4.755 21.855 ( -0.216 3.465 0.000) 3.472 22.041 ( 1.227 -7.662 -0.000) 7.760 22.228 ( -0.043 10.098 0.000) 10.098 22.743 ( 13.325 -2.182 -0.000) 13.502 22.800 ( -12.496 3.767 0.000) 13.051 22.822 ( -5.019 -1.992 -0.000) 5.400 22.873 ( 2.248 3.155 0.000) 3.874 23.160 ( 1.336 -1.105 -0.000) 1.734 23.173 ( -0.149 0.340 0.000) 0.372 23.521 ( 2.488 -10.704 -0.000) 10.989 23.672 ( -0.429 4.815 0.000) 4.835 23.958 ( 2.636 -4.384 -0.000) 5.116 24.019 ( -5.625 -0.275 0.000) 5.632 24.078 ( 5.629 -0.928 -0.000) 5.705 24.173 ( -5.777 6.991 0.000) 9.069 24.494 ( -3.683 -10.585 -0.000) 11.207 24.644 ( 1.134 3.044 0.000) 3.248 24.649 ( 2.014 -3.038 -0.000) 3.645 24.754 ( 1.968 8.735 0.000) 8.954 24.975 ( -0.992 -10.563 -0.000) 10.609 25.182 ( 3.960 10.293 0.000) 11.029 26.821 ( 0.600 -1.391 -0.000) 1.515 26.847 ( -1.026 1.386 0.000) 1.725 27.026 ( 0.795 -0.721 -0.000) 1.073 27.027 ( -0.017 -0.565 -0.000) 0.566 27.482 ( -4.201 -6.483 -0.000) 7.725 27.620 ( 5.809 7.177 0.000) 9.234 27.975 ( 4.489 -1.157 -0.000) 4.635 28.011 ( -5.737 2.429 0.000) 6.230 28.420 ( 0.853 -3.187 -0.000) 3.299 28.483 ( -1.433 3.355 0.000) 3.648 29.453 ( -1.212 -8.311 -0.000) 8.399 29.602 ( 1.987 6.919 0.000) 7.199 29.942 ( -1.238 -1.124 -0.000) 1.672 29.948 ( 0.268 -0.358 -0.000) 0.447 30.295 ( 1.035 -1.558 -0.000) 1.870 30.336 ( 0.150 2.591 0.000) 2.595 30.692 ( -7.449 -2.172 0.000) 7.759 30.739 ( 6.425 2.589 0.000) 6.927 ======================= Grid point 26 (26/96) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -0.000 -0.049 -0.233) 0.238 4.109 ( -0.000 0.521 -6.625) 6.646 4.403 ( -0.000 0.033 -0.408) 0.409 4.903 ( -0.000 -2.714 -23.993) 24.146 5.157 ( 0.000 4.471 11.868) 12.682 5.472 ( -0.000 -4.488 -11.510) 12.354 6.539 ( -0.000 -1.096 -3.525) 3.691 6.656 ( -0.000 -8.472 -25.368) 26.745 6.936 ( -0.000 -7.758 -6.913) 10.391 7.850 ( -0.000 -28.533 -23.141) 36.738 7.996 ( 0.000 17.345 26.705) 31.843 8.498 ( 0.000 10.638 29.194) 31.072 9.077 ( -0.000 7.990 -41.564) 42.325 9.772 ( 0.000 0.158 2.261) 2.267 10.248 ( 0.000 0.030 0.222) 0.224 10.344 ( 0.000 9.865 34.987) 36.351 11.342 ( -0.000 -31.781 4.970) 32.167 11.753 ( -0.000 -9.361 -0.411) 9.370 12.215 ( 0.000 25.147 4.381) 25.526 12.599 ( 0.000 9.991 2.277) 10.247 12.643 ( 0.000 -1.064 4.441) 4.567 12.767 ( -0.000 -1.170 -19.304) 19.340 12.902 ( 0.000 4.923 8.236) 9.595 13.406 ( 0.000 9.193 8.268) 12.364 15.073 ( -0.000 -4.785 -0.549) 4.816 15.448 ( -0.000 -3.331 -4.077) 5.265 15.590 ( 0.000 8.810 -5.490) 10.380 16.279 ( -0.000 -2.934 2.189) 3.660 16.533 ( -0.000 1.384 -1.992) 2.426 16.643 ( 0.000 8.027 1.799) 8.227 16.953 ( 0.000 0.368 1.486) 1.531 17.104 ( -0.000 -2.891 0.129) 2.894 17.373 ( -0.000 -13.820 -1.811) 13.938 17.526 ( -0.000 -0.652 -1.760) 1.877 17.692 ( 0.000 7.972 -0.186) 7.975 17.753 ( -0.000 -12.710 -10.938) 16.768 17.854 ( 0.000 3.713 2.498) 4.475 17.990 ( 0.000 7.602 6.379) 9.924 18.040 ( -0.000 -1.541 -4.221) 4.493 18.410 ( 0.000 0.676 5.506) 5.547 18.628 ( 0.000 -3.622 3.613) 5.115 18.778 ( 0.000 3.640 2.843) 4.618 18.865 ( -0.000 -2.603 2.357) 3.512 18.988 ( -0.000 -0.094 -6.673) 6.674 19.234 ( -0.000 -1.078 -2.758) 2.961 19.301 ( 0.000 1.310 3.643) 3.871 19.554 ( -0.000 -23.058 -1.228) 23.090 19.898 ( -0.000 -13.764 6.797) 15.351 20.206 ( 0.000 11.558 -9.876) 15.202 20.616 ( -0.000 -1.469 -0.189) 1.481 20.794 ( 0.000 19.563 2.094) 19.675 20.979 ( 0.000 0.401 2.620) 2.651 21.152 ( 0.000 4.281 1.220) 4.451 21.332 ( 0.000 2.936 0.571) 2.991 21.340 ( -0.000 -8.687 -0.093) 8.687 21.616 ( 0.000 9.999 2.271) 10.253 21.843 ( -0.000 -4.413 1.512) 4.665 21.914 ( 0.000 3.018 -0.224) 3.027 22.103 ( 0.000 -0.671 1.136) 1.320 22.311 ( -0.000 -0.709 0.610) 0.936 22.447 ( 0.000 -1.813 3.189) 3.669 22.475 ( 0.000 -1.517 7.423) 7.577 22.647 ( 0.000 3.946 -0.285) 3.956 23.072 ( -0.000 0.418 -1.832) 1.879 23.268 ( -0.000 0.182 -4.489) 4.493 23.386 ( 0.000 1.216 0.246) 1.241 23.691 ( -0.000 0.597 -3.401) 3.453 23.946 ( -0.000 -1.139 0.062) 1.140 23.957 ( -0.000 -6.252 5.688) 8.452 24.050 ( -0.000 -0.925 -7.163) 7.223 24.069 ( -0.000 0.335 -0.472) 0.579 24.224 ( -0.000 1.466 -2.474) 2.876 24.370 ( -0.000 -1.670 -22.427) 22.489 24.405 ( 0.000 1.861 24.631) 24.701 24.605 ( -0.000 -1.129 -1.513) 1.888 25.099 ( 0.000 0.140 0.440) 0.462 25.415 ( 0.000 -7.131 14.587) 16.237 25.562 ( -0.000 7.187 -16.730) 18.208 26.639 ( -0.000 -0.994 -3.485) 3.624 26.709 ( 0.000 2.674 2.260) 3.501 27.017 ( -0.000 -1.572 -1.647) 2.277 27.170 ( 0.000 0.425 1.705) 1.757 27.392 ( 0.000 -3.790 5.062) 6.323 27.482 ( -0.000 5.302 -5.988) 7.998 28.195 ( -0.000 -0.427 -2.845) 2.877 28.458 ( 0.000 -0.213 3.044) 3.052 28.532 ( -0.000 0.044 -0.901) 0.902 28.661 ( 0.000 0.280 1.158) 1.191 29.173 ( -0.000 -1.457 -0.394) 1.510 29.403 ( 0.000 1.465 0.723) 1.633 29.736 ( -0.000 -6.602 3.218) 7.345 29.916 ( 0.000 6.912 -4.235) 8.106 30.123 ( 0.000 -1.419 1.342) 1.953 30.275 ( -0.000 1.187 -1.200) 1.688 30.403 ( -0.000 -0.929 -0.985) 1.354 30.810 ( 0.000 0.061 1.022) 1.024 ======================= Grid point 27 (27/96) ======================= q-point: (-0.65 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 23.611 4.146 3.163) 24.180 3.811 ( -16.016 -3.194 3.608) 16.725 4.367 ( 4.956 -0.086 1.420) 5.156 4.748 ( -9.740 -4.174 2.027) 10.789 6.103 ( 8.405 9.003 -3.026) 12.682 6.132 ( 8.810 -3.435 -4.225) 10.357 6.630 ( 4.295 -2.485 -0.916) 5.046 6.865 ( -2.658 -10.335 1.637) 10.796 7.534 ( 29.494 -10.069 -12.752) 33.673 8.249 ( 15.554 2.959 -16.005) 22.513 8.793 ( -6.964 8.248 16.067) 19.356 9.118 ( 25.570 -3.195 7.419) 26.816 9.462 ( -22.688 -12.911 -9.057) 27.631 10.035 ( -16.117 4.076 14.760) 22.231 10.533 ( 13.801 15.369 -5.730) 21.436 10.720 ( 22.276 15.406 -12.905) 30.002 11.478 ( 5.209 -9.672 -6.236) 12.632 11.742 ( -4.388 0.324 9.555) 10.519 11.839 ( -0.411 -15.443 0.010) 15.448 12.251 ( -5.286 -9.820 -6.631) 12.975 12.761 ( -17.508 -1.376 23.133) 29.045 13.239 ( 7.706 -4.007 -3.967) 9.549 13.661 ( 19.821 -9.500 7.710) 23.293 14.171 ( 14.726 5.144 12.567) 20.032 15.208 ( 6.037 -6.341 -2.508) 9.107 15.540 ( -5.236 8.713 -16.213) 19.137 15.723 ( 6.419 1.328 8.015) 10.354 16.032 ( 7.619 7.404 1.174) 10.689 16.450 ( 5.011 6.197 -3.440) 8.680 16.517 ( -8.901 6.822 1.327) 11.293 16.769 ( -4.056 -8.269 1.951) 9.414 16.870 ( -8.973 -1.080 0.212) 9.041 17.179 ( -2.941 3.107 -5.647) 7.085 17.307 ( 2.066 -1.393 3.829) 4.568 17.442 ( 8.674 5.721 0.254) 10.394 17.591 ( 4.555 -2.785 -2.726) 5.994 17.875 ( 3.839 14.700 1.415) 15.258 17.931 ( 0.764 3.283 12.371) 12.822 18.181 ( -3.086 -6.444 -7.512) 10.367 18.281 ( -15.488 -1.018 0.260) 15.523 18.607 ( -2.082 9.123 9.731) 13.500 18.737 ( -7.453 9.630 5.008) 13.167 19.076 ( 9.931 -4.966 -6.333) 12.782 19.238 ( -8.799 1.393 -7.810) 11.847 19.360 ( 6.380 0.562 -7.687) 10.005 19.593 ( 1.243 -12.801 0.548) 12.873 19.800 ( 5.836 3.427 -9.391) 11.576 19.908 ( -0.173 0.602 -7.765) 7.791 20.105 ( -20.383 -4.105 0.020) 20.792 20.359 ( 10.650 5.340 -3.529) 12.426 20.481 ( -12.116 -2.936 -2.213) 12.662 20.672 ( 1.079 -6.602 -0.446) 6.704 20.999 ( -5.856 3.435 2.144) 7.120 21.075 ( -4.807 3.077 -2.105) 6.083 21.247 ( 0.978 -3.419 5.240) 6.333 21.378 ( -7.088 -6.328 -4.273) 10.418 21.677 ( -2.301 -1.572 2.802) 3.952 21.826 ( -3.390 -0.781 -0.680) 3.545 21.909 ( 2.340 9.901 4.338) 11.060 22.131 ( 11.559 -6.704 4.944) 14.248 22.183 ( 3.100 -7.758 7.129) 10.983 22.369 ( 7.223 1.632 1.897) 7.645 22.985 ( 1.025 -0.685 -0.880) 1.515 23.077 ( -0.632 1.307 1.057) 1.796 23.150 ( -12.576 2.734 1.773) 12.991 23.302 ( -4.107 -0.309 -0.836) 4.202 23.573 ( -6.721 2.997 0.859) 7.409 23.724 ( -3.996 -3.390 2.115) 5.651 23.859 ( 5.126 2.742 0.239) 5.818 24.141 ( -3.886 2.169 1.079) 4.579 24.269 ( 2.050 1.003 -5.631) 6.076 24.286 ( 0.394 -0.152 -2.445) 2.481 24.390 ( 6.058 1.768 -0.578) 6.337 24.607 ( 3.721 -0.241 -0.114) 3.731 24.697 ( -2.291 -0.647 -3.176) 3.969 24.879 ( -1.935 -3.173 -1.259) 3.924 25.141 ( 0.484 4.009 -3.335) 5.237 25.364 ( -7.255 -7.747 -1.620) 10.736 26.767 ( 0.433 5.273 1.805) 5.590 26.900 ( -1.980 -2.688 -3.050) 4.522 27.031 ( 2.739 -1.679 0.425) 3.241 27.097 ( -2.122 -0.173 -2.070) 2.970 27.194 ( 1.533 2.655 7.302) 7.920 27.366 ( -4.207 -4.081 8.816) 10.587 27.927 ( -0.415 -3.662 0.602) 3.734 28.020 ( -7.686 3.672 4.087) 9.448 28.558 ( -1.901 3.486 -2.981) 4.965 28.636 ( -0.942 -4.148 -4.161) 5.950 29.463 ( 4.467 7.730 -2.145) 9.182 29.667 ( 3.981 -7.487 -1.811) 8.671 29.898 ( 2.967 2.121 -0.176) 3.651 29.982 ( -0.233 0.969 -1.156) 1.526 30.276 ( 1.389 -1.699 1.043) 2.430 30.282 ( 0.258 -1.107 1.458) 1.849 30.533 ( 5.475 2.455 -0.667) 6.037 30.788 ( -2.791 -1.437 2.059) 3.754 ======================= Grid point 28 (28/96) ======================= q-point: ( 0.35 -0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -32.423 -7.312 -4.970) 33.607 3.668 ( -32.207 46.822 26.096) 62.534 4.146 ( -15.144 36.384 15.628) 42.395 4.353 ( -5.964 15.872 7.788) 18.658 4.388 ( -7.654 10.586 5.719) 14.261 5.478 ( -20.025 35.359 29.029) 49.939 5.902 ( -7.251 10.562 2.198) 12.999 6.295 ( -12.859 8.979 -0.314) 15.687 6.537 ( -19.548 26.297 11.733) 34.804 6.867 ( -8.122 18.332 6.788) 21.169 7.554 ( -7.621 -17.155 19.321) 26.939 9.261 ( 3.582 -5.668 -7.486) 10.050 9.751 ( 7.159 -14.157 -26.738) 31.090 10.191 ( -0.991 0.140 -4.273) 4.388 10.248 ( -4.413 -0.371 -14.308) 14.977 11.048 ( 1.828 4.320 12.681) 13.520 11.678 ( 12.570 -14.465 4.063) 19.589 11.973 ( 13.830 10.404 -11.156) 20.591 12.103 ( 4.718 -11.975 -0.760) 12.893 12.499 ( -0.645 -25.062 4.582) 25.486 12.742 ( -18.126 -9.893 -6.322) 21.596 13.011 ( -3.804 -12.223 -0.418) 12.808 13.873 ( -7.515 -15.456 -22.325) 28.174 14.101 ( 6.925 -0.032 -30.483) 31.260 15.278 ( 9.370 7.421 -8.108) 14.443 15.434 ( 3.780 14.558 -0.598) 15.053 15.763 ( -7.466 4.826 -8.344) 12.193 16.059 ( 8.719 4.373 5.308) 11.105 16.492 ( -2.195 -3.282 11.139) 11.818 16.595 ( -4.674 -0.035 0.309) 4.684 16.681 ( 4.591 -6.247 1.251) 7.853 17.017 ( -4.501 3.133 8.072) 9.758 17.036 ( -8.698 6.103 2.905) 11.016 17.219 ( 3.231 2.295 3.344) 5.185 17.491 ( -2.024 2.586 2.778) 4.301 17.678 ( -0.961 -5.470 -1.908) 5.873 17.881 ( 4.370 4.345 3.657) 7.166 17.957 ( -2.783 -1.888 -1.091) 3.536 18.069 ( -10.744 5.069 -1.734) 12.006 18.166 ( -4.837 -9.190 9.624) 14.159 18.425 ( -6.463 -2.281 11.142) 13.081 18.492 ( -3.711 8.775 10.292) 14.025 18.828 ( -4.274 1.264 -0.327) 4.469 19.221 ( 3.547 2.763 3.443) 5.663 19.465 ( 14.146 0.895 -13.339) 19.463 19.824 ( -6.672 0.412 -10.998) 12.870 19.933 ( -1.892 -6.548 -2.988) 7.442 20.125 ( 12.374 -7.050 -8.800) 16.741 20.419 ( 5.790 8.809 -9.184) 13.981 20.511 ( -3.771 -0.998 -1.708) 4.258 20.715 ( 12.961 -5.357 1.394) 14.094 21.032 ( 8.184 -3.826 0.383) 9.042 21.131 ( 2.839 -0.747 3.422) 4.509 21.276 ( -2.325 -5.214 -1.871) 6.008 21.313 ( 5.187 -1.254 11.440) 12.623 21.439 ( -4.193 -5.208 -1.436) 6.839 21.521 ( 16.304 -6.957 15.355) 23.452 21.783 ( 1.414 2.767 1.757) 3.569 21.903 ( -2.013 -2.934 1.657) 3.925 21.965 ( -5.152 -6.050 1.911) 8.173 22.166 ( -6.474 -4.249 8.512) 11.507 22.293 ( 0.714 -6.474 -0.766) 6.558 22.781 ( -14.035 -3.369 2.661) 14.677 23.212 ( 0.413 4.976 1.411) 5.189 23.323 ( 2.139 3.164 0.598) 3.866 23.357 ( 3.551 6.287 -4.932) 8.744 23.652 ( -1.543 -2.688 -4.316) 5.314 23.786 ( 3.982 2.515 2.021) 5.125 23.905 ( -3.591 -0.664 3.893) 5.338 24.021 ( 6.537 5.036 1.625) 8.410 24.152 ( -3.323 1.453 -4.390) 5.694 24.305 ( -4.115 4.603 -4.714) 7.768 24.435 ( -3.859 -0.924 -3.425) 5.242 24.588 ( -0.073 13.170 0.635) 13.186 24.841 ( 8.134 -4.339 2.115) 9.459 25.084 ( 7.971 -3.717 -3.975) 9.652 25.107 ( 2.045 -4.892 3.022) 6.103 25.723 ( 18.759 12.017 -5.196) 22.876 26.671 ( -8.973 3.225 -0.812) 9.570 26.820 ( -1.452 1.263 -0.820) 2.091 26.948 ( 1.286 2.015 -1.070) 2.619 27.166 ( 2.258 -0.450 5.770) 6.212 27.310 ( -3.829 -5.511 -1.829) 6.956 27.602 ( -0.416 4.384 -6.281) 7.671 27.919 ( 5.107 4.948 3.267) 7.825 28.404 ( -1.026 1.227 3.334) 3.698 28.581 ( 6.325 -2.406 -0.916) 6.829 28.744 ( 1.871 -4.703 -2.447) 5.622 29.187 ( -4.994 3.963 1.416) 6.531 29.366 ( -2.886 -3.980 2.886) 5.700 29.811 ( -5.374 -6.723 0.816) 8.646 29.906 ( -1.394 7.849 -1.683) 8.148 30.140 ( -1.658 -1.970 0.568) 2.637 30.272 ( -0.174 2.611 -0.263) 2.630 30.308 ( -4.547 0.889 2.063) 5.072 30.927 ( 0.972 -1.613 -2.468) 3.105 ======================= Grid point 29 (29/96) ======================= q-point: ( 0.14 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 27.212 -3.794 -12.423) 30.153 4.048 ( -10.991 0.971 2.674) 11.353 4.151 ( 10.751 5.356 7.804) 14.324 4.552 ( 6.886 4.359 16.335) 18.255 5.042 ( 34.297 23.068 29.824) 50.970 5.912 ( 26.998 -0.791 12.170) 29.624 6.229 ( 14.227 8.977 5.019) 17.555 6.391 ( 9.299 5.592 11.327) 15.686 6.819 ( 2.989 2.100 9.183) 9.882 7.361 ( 35.264 17.587 22.172) 45.216 8.852 ( 28.214 -5.761 26.457) 39.104 9.022 ( 10.016 1.182 4.131) 10.899 9.618 ( -3.606 -19.444 -9.182) 21.803 9.953 ( -14.883 -4.073 -4.134) 15.975 10.294 ( 19.374 -8.359 -21.576) 30.178 10.797 ( -8.780 25.891 -8.561) 28.649 11.276 ( 7.403 14.075 1.695) 15.993 11.563 ( -8.512 0.937 -0.399) 8.573 11.661 ( -20.389 6.929 1.134) 21.564 13.079 ( -12.966 -23.543 -9.789) 28.604 13.253 ( 7.543 -11.278 -17.492) 22.137 13.380 ( 15.405 -17.785 -3.450) 23.781 13.393 ( -6.104 -11.462 -13.709) 18.883 13.919 ( 8.210 -3.980 -7.365) 11.726 15.054 ( 2.724 -4.057 3.863) 6.229 15.353 ( 11.567 4.654 -0.336) 12.473 15.574 ( 7.516 19.242 -5.525) 21.384 16.039 ( -7.943 -1.458 6.764) 10.534 16.540 ( -13.011 -7.876 -9.504) 17.935 16.746 ( 8.245 2.220 3.687) 9.300 16.767 ( -0.408 4.227 -3.317) 5.389 17.064 ( 2.906 -1.688 5.578) 6.512 17.155 ( -1.285 2.169 2.574) 3.603 17.213 ( 3.251 0.789 5.936) 6.814 17.320 ( -2.740 2.257 -5.206) 6.301 17.499 ( 2.718 14.161 -4.037) 14.974 17.693 ( -11.892 -0.797 1.917) 12.072 18.181 ( -3.922 0.920 2.008) 4.501 18.310 ( 2.472 0.298 -4.206) 4.888 18.556 ( 15.492 -2.239 10.811) 19.024 18.636 ( 3.567 -6.962 -8.793) 11.769 18.801 ( -6.269 -7.363 -3.702) 10.355 18.903 ( 18.013 7.832 13.763) 23.984 18.999 ( 4.857 0.176 2.586) 5.505 19.364 ( -2.916 2.156 1.443) 3.903 19.533 ( -12.143 7.374 -10.832) 17.865 19.879 ( 11.233 0.982 1.691) 11.402 19.945 ( -13.002 1.421 -4.049) 13.692 20.187 ( 4.020 -3.445 -0.901) 5.371 20.336 ( 0.316 4.194 -6.516) 7.756 20.675 ( -19.876 -4.020 2.579) 20.442 20.880 ( -8.420 -0.349 7.345) 11.179 21.031 ( -9.655 -4.501 4.017) 11.385 21.244 ( -2.520 0.492 -1.634) 3.044 21.524 ( 0.031 -3.380 -2.280) 4.078 21.548 ( -11.881 -1.745 0.772) 12.034 21.607 ( -5.963 -4.354 2.652) 7.845 21.793 ( -3.397 -2.296 7.271) 8.348 21.844 ( -2.343 6.730 -2.766) 7.645 22.183 ( 0.305 -5.956 0.926) 6.036 22.326 ( 2.738 -7.613 -3.101) 8.664 22.409 ( 3.970 -10.816 -0.624) 11.538 22.975 ( 3.643 -3.276 -1.219) 5.049 23.071 ( -0.364 2.708 -2.400) 3.637 23.180 ( -0.800 3.609 -2.079) 4.241 23.311 ( -4.380 10.558 -0.881) 11.464 23.550 ( 0.692 4.341 3.751) 5.779 23.740 ( -10.518 -1.263 4.393) 11.468 23.910 ( 0.023 0.987 -2.349) 2.549 24.139 ( 4.720 1.488 6.284) 7.999 24.156 ( 2.538 1.738 -0.352) 3.096 24.225 ( 7.861 -0.642 -0.975) 7.947 24.379 ( 3.892 3.421 -5.201) 7.342 24.489 ( -10.847 1.471 -1.806) 11.094 24.624 ( 4.460 0.545 3.340) 5.599 24.965 ( -4.115 -2.172 -0.838) 4.728 25.154 ( -9.359 4.823 1.248) 10.602 25.441 ( 0.110 -4.341 8.240) 9.314 26.756 ( 2.864 1.645 -2.861) 4.370 26.881 ( 0.964 0.438 3.471) 3.629 26.892 ( 3.587 0.349 0.269) 3.614 27.193 ( -3.854 -0.948 2.754) 4.831 27.323 ( -3.242 1.404 -3.311) 4.842 27.381 ( -1.357 -3.832 -10.062) 10.852 27.832 ( -4.844 2.838 5.185) 7.642 28.328 ( -7.792 -2.750 -6.470) 10.495 28.506 ( -1.150 2.404 3.592) 4.472 28.781 ( -1.195 -3.407 1.691) 3.986 29.251 ( 4.763 5.044 1.686) 7.139 29.597 ( 6.579 -3.758 2.812) 8.082 29.808 ( 4.547 4.654 -1.574) 6.694 29.968 ( -0.321 -1.003 -0.288) 1.092 30.224 ( 1.912 -1.588 0.929) 2.653 30.272 ( 1.765 -1.061 -0.531) 2.127 30.460 ( 6.503 0.112 1.135) 6.602 30.841 ( -2.633 -0.273 -3.050) 4.039 ======================= Grid point 30 (30/96) ======================= q-point: ( 0.14 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -27.209 -10.633 17.557) 34.082 3.822 ( -36.052 21.880 -14.036) 44.446 4.024 ( 1.264 7.595 -6.930) 10.359 4.310 ( -18.509 3.791 -10.558) 21.644 4.476 ( -31.513 17.185 -15.250) 38.999 5.678 ( -25.506 3.780 -11.662) 28.300 6.079 ( -28.707 11.055 -13.336) 33.528 6.234 ( -5.063 9.154 -2.750) 10.816 6.725 ( -9.606 2.298 -1.654) 10.014 7.027 ( -56.349 20.807 -1.879) 60.097 8.145 ( -30.087 -6.206 -32.270) 44.554 9.071 ( 13.052 6.589 2.087) 14.769 9.744 ( 11.747 -10.354 2.612) 15.875 10.004 ( 15.527 -4.188 1.352) 16.139 10.650 ( -12.961 0.881 2.825) 13.294 10.919 ( 7.168 -1.075 11.513) 13.605 11.240 ( 6.330 14.065 1.619) 15.509 11.538 ( 17.758 -6.492 -3.915) 19.309 11.955 ( 2.003 15.963 21.894) 27.170 13.108 ( 4.793 -33.773 -1.402) 34.140 13.350 ( -6.170 -18.870 0.509) 19.860 13.526 ( -14.258 -13.153 4.124) 19.832 13.837 ( 13.130 -1.000 22.400) 25.984 14.064 ( 10.748 2.839 1.822) 11.265 14.948 ( 3.376 2.257 -6.029) 7.269 15.351 ( -8.130 -0.193 -1.404) 8.253 15.725 ( -7.257 16.962 9.017) 20.535 15.935 ( 3.254 -2.574 -1.158) 4.308 16.574 ( -5.131 5.373 -8.663) 11.413 16.756 ( 5.370 -5.693 6.791) 10.362 16.886 ( -6.795 1.989 2.417) 7.482 16.983 ( -6.938 -3.775 -2.867) 8.403 17.065 ( -4.410 4.469 6.474) 9.019 17.202 ( -13.329 4.962 0.149) 14.223 17.446 ( 5.254 -1.092 4.856) 7.237 17.541 ( 2.223 12.860 -1.798) 13.174 17.693 ( 6.273 -0.365 2.459) 6.747 18.122 ( -8.863 -0.269 -10.169) 13.492 18.203 ( -1.445 -4.321 -5.656) 7.263 18.381 ( -6.571 3.289 -5.784) 9.352 18.520 ( -23.740 4.080 -11.349) 26.628 18.657 ( -2.122 -8.345 -5.293) 10.107 18.992 ( 12.745 -0.526 0.538) 12.767 19.143 ( -2.908 -1.890 10.406) 10.969 19.262 ( -4.986 -6.919 7.699) 11.489 19.786 ( 13.095 -2.728 -5.617) 14.507 19.915 ( 13.357 0.171 15.040) 20.116 20.079 ( 12.499 8.400 8.549) 17.317 20.180 ( -4.051 -5.572 1.205) 6.994 20.467 ( 7.563 3.708 3.582) 9.153 20.549 ( 16.393 -5.502 -9.527) 19.743 20.790 ( 4.586 -0.167 -4.801) 6.642 20.866 ( 14.736 11.077 -5.574) 19.259 21.250 ( 7.041 -2.534 -4.859) 8.922 21.352 ( 2.328 -8.049 -14.873) 17.071 21.482 ( -7.616 0.093 -1.081) 7.693 21.657 ( -0.238 -7.852 3.100) 8.445 21.727 ( 2.714 -3.311 1.348) 4.489 21.914 ( 1.581 2.642 3.920) 4.985 22.212 ( -0.881 -0.392 3.672) 3.797 22.334 ( -6.110 -9.649 -0.873) 11.454 22.441 ( -5.516 -2.846 0.726) 6.249 22.987 ( -3.643 -1.824 0.461) 4.100 23.140 ( 2.800 2.196 1.479) 3.854 23.215 ( 2.003 2.730 3.539) 4.898 23.260 ( -4.034 5.360 -5.566) 8.717 23.595 ( 0.470 5.056 5.237) 7.295 23.667 ( 10.150 -2.401 -1.209) 10.500 23.876 ( 0.047 0.713 -3.940) 4.004 24.012 ( -4.021 -0.508 -5.102) 6.515 24.189 ( -2.463 8.045 0.677) 8.441 24.274 ( -6.838 3.677 3.469) 8.503 24.438 ( 2.092 0.630 -3.008) 3.718 24.498 ( -1.166 1.827 3.378) 4.013 24.659 ( 10.974 -2.168 4.878) 12.204 24.929 ( 5.265 -2.636 -3.872) 7.047 25.129 ( 14.975 7.221 -0.715) 16.640 25.295 ( -2.018 -4.667 -5.234) 7.297 26.800 ( -5.163 1.168 1.209) 5.430 26.829 ( -1.007 -0.152 -1.720) 2.000 26.909 ( -1.978 1.811 1.732) 3.192 27.101 ( 3.917 0.154 -4.751) 6.159 27.418 ( 1.133 -0.169 5.174) 5.300 27.599 ( -0.966 -3.252 7.865) 8.566 27.753 ( 0.649 4.101 -1.502) 4.415 28.385 ( 3.021 -1.283 -1.409) 3.572 28.462 ( 6.042 0.394 -0.246) 6.060 28.744 ( 4.586 -2.829 -0.979) 5.477 29.209 ( -4.964 4.652 -1.935) 7.073 29.537 ( -5.742 -3.815 -2.613) 7.372 29.835 ( -3.761 5.160 1.004) 6.464 29.988 ( 0.780 -2.591 1.373) 3.035 30.203 ( -1.276 -1.114 -0.889) 1.914 30.294 ( -3.380 -2.029 1.131) 4.102 30.438 ( -8.169 0.257 -0.666) 8.200 30.901 ( 3.456 -0.440 2.343) 4.198 ======================= Grid point 31 (31/96) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 80.754 -0.000 -0.000) 80.754 1.916 ( 88.603 -0.000 -0.000) 88.603 2.734 ( 97.376 -0.000 -0.000) 97.376 3.633 ( 43.635 -0.000 -0.000) 43.635 4.312 ( 0.301 -0.000 -0.000) 0.301 4.321 ( -8.203 0.000 0.000) 8.203 5.337 ( 4.627 -0.000 -0.000) 4.627 5.994 ( 4.429 -0.000 -0.000) 4.429 6.456 ( -0.013 0.000 0.000) 0.013 6.756 ( 8.970 -0.000 -0.000) 8.970 7.534 ( 5.655 -0.000 -0.000) 5.655 9.380 ( -15.200 0.000 0.000) 15.200 9.871 ( 1.872 -0.000 -0.000) 1.872 10.218 ( -3.303 0.000 0.000) 3.303 10.669 ( -4.599 0.000 0.000) 4.599 10.743 ( 21.239 -0.000 -0.000) 21.239 11.161 ( -4.041 0.000 0.000) 4.041 12.147 ( -1.133 0.000 0.000) 1.133 12.240 ( -31.776 0.000 0.000) 31.776 13.268 ( 9.637 -0.000 -0.000) 9.637 13.283 ( 13.627 -0.000 -0.000) 13.627 13.786 ( -13.622 0.000 0.000) 13.622 14.487 ( -12.575 0.000 0.000) 12.575 14.602 ( -22.474 0.000 0.000) 22.474 14.791 ( 6.510 -0.000 -0.000) 6.510 15.338 ( 3.156 -0.000 -0.000) 3.156 15.586 ( 0.155 -0.000 -0.000) 0.155 15.963 ( -5.466 0.000 0.000) 5.466 16.164 ( 8.770 -0.000 -0.000) 8.770 16.426 ( 19.391 -0.000 -0.000) 19.391 16.737 ( 1.011 -0.000 -0.000) 1.011 16.891 ( 17.378 -0.000 -0.000) 17.378 16.975 ( 2.985 -0.000 -0.000) 2.985 17.017 ( -2.041 0.000 0.000) 2.041 17.376 ( 18.293 -0.000 -0.000) 18.293 17.619 ( -9.372 0.000 0.000) 9.372 17.780 ( 1.465 -0.000 -0.000) 1.465 17.847 ( -4.137 0.000 0.000) 4.137 18.084 ( -1.887 0.000 0.000) 1.887 18.145 ( 0.309 -0.000 -0.000) 0.309 18.339 ( 9.781 -0.000 -0.000) 9.781 18.459 ( 1.555 -0.000 -0.000) 1.555 19.004 ( 22.914 -0.000 -0.000) 22.914 19.156 ( -12.874 0.000 0.000) 12.874 19.415 ( -0.767 0.000 0.000) 0.767 19.959 ( 10.055 -0.000 -0.000) 10.055 20.220 ( -7.554 0.000 0.000) 7.554 20.262 ( -3.830 0.000 0.000) 3.830 20.581 ( -13.627 0.000 0.000) 13.627 20.723 ( -2.072 0.000 0.000) 2.072 20.735 ( -12.286 0.000 0.000) 12.286 20.824 ( -7.396 0.000 0.000) 7.396 20.922 ( -8.323 0.000 0.000) 8.323 21.311 ( -28.963 0.000 0.000) 28.963 21.346 ( 10.229 -0.000 -0.000) 10.229 21.447 ( -5.134 0.000 0.000) 5.134 21.525 ( 3.389 -0.000 -0.000) 3.389 21.945 ( 0.811 -0.000 -0.000) 0.811 22.041 ( 15.547 -0.000 -0.000) 15.547 22.135 ( -0.224 0.000 0.000) 0.224 22.339 ( 6.217 -0.000 -0.000) 6.217 22.384 ( -16.811 0.000 0.000) 16.811 22.804 ( 12.996 -0.000 -0.000) 12.996 23.004 ( 8.567 -0.000 -0.000) 8.567 23.302 ( 0.594 -0.000 -0.000) 0.594 23.312 ( -9.353 0.000 0.000) 9.353 23.702 ( 0.662 -0.000 -0.000) 0.662 23.747 ( -8.135 0.000 0.000) 8.135 23.833 ( -3.751 0.000 0.000) 3.751 23.922 ( 6.546 -0.000 -0.000) 6.546 24.006 ( -2.664 0.000 0.000) 2.664 24.134 ( 5.165 -0.000 -0.000) 5.165 24.350 ( 10.232 -0.000 -0.000) 10.232 24.415 ( -0.232 0.000 0.000) 0.232 24.933 ( -0.963 0.000 0.000) 0.963 25.218 ( 4.081 -0.000 -0.000) 4.081 25.293 ( -24.122 0.000 0.000) 24.122 25.424 ( -17.828 0.000 0.000) 17.828 26.607 ( 10.722 -0.000 -0.000) 10.722 26.818 ( -0.459 0.000 0.000) 0.459 26.849 ( 2.243 -0.000 -0.000) 2.243 27.099 ( -1.826 0.000 0.000) 1.826 27.480 ( 0.869 -0.000 -0.000) 0.869 27.551 ( 10.979 -0.000 -0.000) 10.979 27.760 ( -6.371 0.000 0.000) 6.371 28.333 ( 1.849 -0.000 -0.000) 1.849 28.653 ( -7.484 0.000 0.000) 7.484 28.892 ( -4.494 0.000 0.000) 4.494 29.078 ( 2.405 -0.000 -0.000) 2.405 29.435 ( 4.453 -0.000 -0.000) 4.453 29.706 ( 3.089 -0.000 -0.000) 3.089 30.134 ( -4.641 0.000 0.000) 4.641 30.194 ( 0.100 -0.000 -0.000) 0.100 30.216 ( 7.302 -0.000 -0.000) 7.302 30.315 ( 2.890 -0.000 -0.000) 2.890 30.987 ( -1.570 0.000 0.000) 1.570 ======================= Grid point 32 (32/96) ======================= q-point: (-0.06 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -22.085 0.000 6.127) 22.919 3.785 ( 16.012 -0.000 -4.065) 16.520 4.366 ( -6.209 0.000 -0.751) 6.255 4.691 ( 7.826 -0.000 -6.247) 10.014 5.791 ( -15.081 0.000 -6.592) 16.459 6.138 ( -3.512 0.000 2.210) 4.149 6.690 ( -5.235 0.000 -1.637) 5.485 7.083 ( 2.200 0.000 -9.604) 9.852 7.199 ( -29.143 0.000 -19.781) 35.222 8.022 ( -20.866 0.000 -8.918) 22.692 8.793 ( 12.624 -0.000 -1.675) 12.735 9.607 ( 5.052 -0.000 -1.224) 5.198 9.616 ( 4.146 -0.000 -5.962) 7.262 10.053 ( -5.190 -0.000 21.620) 22.234 10.272 ( -7.400 -0.000 22.404) 23.594 10.485 ( -19.408 0.000 8.546) 21.206 11.157 ( -6.778 0.000 -1.305) 6.903 11.791 ( 11.247 0.000 -30.278) 32.300 11.802 ( -2.676 0.000 -34.726) 34.829 12.826 ( -9.243 0.000 5.738) 10.879 12.902 ( -11.203 0.000 21.731) 24.449 13.418 ( 5.134 -0.000 8.840) 10.223 13.657 ( -3.087 0.000 -2.963) 4.279 14.289 ( -6.313 0.000 -6.050) 8.744 15.296 ( -4.110 0.000 -1.852) 4.508 15.412 ( -3.586 0.000 -0.041) 3.586 15.547 ( -9.877 0.000 3.884) 10.613 15.973 ( 21.869 -0.000 8.330) 23.402 16.111 ( -9.425 0.000 -1.222) 9.504 16.695 ( -8.305 0.000 4.277) 9.341 16.845 ( -0.469 0.000 -1.084) 1.181 16.986 ( 17.292 -0.000 -4.015) 17.752 17.270 ( -4.395 0.000 -1.684) 4.707 17.271 ( -6.514 0.000 5.658) 8.628 17.409 ( -15.913 0.000 4.681) 16.588 17.412 ( -4.552 0.000 -5.327) 7.007 17.417 ( 7.939 -0.000 2.598) 8.354 18.094 ( 4.485 -0.000 -4.541) 6.382 18.128 ( 13.258 -0.000 17.588) 22.025 18.276 ( 13.225 -0.000 4.341) 13.919 18.313 ( 13.631 -0.000 12.239) 18.319 18.813 ( -3.307 0.000 3.182) 4.589 19.264 ( 10.835 -0.000 3.787) 11.478 19.347 ( -15.930 0.000 -4.239) 16.484 19.412 ( -18.107 0.000 5.279) 18.861 19.604 ( 2.804 0.000 -8.800) 9.236 19.608 ( -9.854 0.000 -18.257) 20.747 20.089 ( 3.636 -0.000 -0.048) 3.636 20.306 ( -8.845 0.000 2.413) 9.168 20.437 ( 10.415 -0.000 -3.550) 11.003 20.483 ( 12.428 -0.000 -2.399) 12.657 20.655 ( -5.331 0.000 -6.175) 8.158 20.836 ( 25.022 -0.000 5.709) 25.666 20.979 ( 8.184 -0.000 1.588) 8.336 21.418 ( 1.651 -0.000 6.010) 6.233 21.490 ( 3.900 -0.000 -3.842) 5.475 21.631 ( -7.409 0.000 -2.183) 7.724 21.658 ( 9.426 -0.000 0.273) 9.430 21.829 ( -7.285 0.000 -0.251) 7.290 22.395 ( -6.500 0.000 -0.795) 6.549 22.510 ( -7.838 0.000 2.159) 8.130 22.645 ( -3.071 0.000 5.645) 6.426 22.876 ( 3.919 -0.000 0.544) 3.957 23.015 ( 1.846 -0.000 1.173) 2.187 23.033 ( -1.183 0.000 0.786) 1.420 23.082 ( 7.191 -0.000 -2.338) 7.562 23.525 ( 7.184 -0.000 -4.773) 8.625 23.538 ( 14.355 -0.000 -2.488) 14.569 23.829 ( -4.634 0.000 2.877) 5.454 24.181 ( -2.199 0.000 1.018) 2.423 24.218 ( -2.074 -0.000 5.178) 5.578 24.351 ( -0.171 0.000 -3.609) 3.613 24.367 ( -2.556 0.000 0.975) 2.736 24.574 ( -4.993 0.000 -5.950) 7.767 24.785 ( 0.722 0.000 -4.156) 4.218 24.889 ( -2.796 0.000 2.827) 3.977 25.100 ( -0.260 0.000 -0.861) 0.900 25.525 ( 6.659 -0.000 -2.388) 7.074 26.623 ( 2.383 -0.000 2.243) 3.272 27.017 ( -2.614 0.000 -4.415) 5.131 27.034 ( -2.374 0.000 -3.431) 4.172 27.100 ( 1.452 -0.000 8.415) 8.539 27.172 ( 0.407 -0.000 3.293) 3.318 27.295 ( 4.635 -0.000 -6.163) 7.711 27.801 ( 5.052 -0.000 -4.126) 6.523 28.088 ( 4.002 -0.000 4.425) 5.966 28.495 ( 2.006 -0.000 -0.565) 2.084 28.838 ( -0.069 -0.000 0.421) 0.427 29.264 ( -1.873 0.000 0.516) 1.943 29.841 ( -4.206 0.000 0.530) 4.239 29.859 ( -6.924 0.000 -1.649) 7.118 29.933 ( 1.198 -0.000 -0.008) 1.198 30.283 ( 0.209 0.000 -1.157) 1.176 30.311 ( -1.270 0.000 -0.210) 1.288 30.522 ( -1.678 0.000 3.411) 3.801 30.792 ( 0.106 0.000 -1.405) 1.409 ======================= Grid point 33 (33/96) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -0.000 -0.370 -2.394) 2.423 3.403 ( -0.000 -15.329 -54.656) 56.765 4.125 ( -0.000 -29.004 -71.609) 77.259 4.371 ( -0.000 -0.089 -10.219) 10.219 4.404 ( -0.000 -0.897 -0.810) 1.209 5.132 ( -0.000 -37.607 -42.242) 56.557 5.694 ( -0.000 -20.374 -26.264) 33.240 6.091 ( -0.000 -0.906 -6.688) 6.749 6.238 ( -0.000 -13.632 -12.226) 18.312 6.966 ( -0.000 -3.725 -17.859) 18.243 8.414 ( -0.000 20.917 -20.269) 29.126 9.111 ( 0.000 6.452 12.365) 13.947 9.397 ( 0.000 23.542 41.816) 47.987 10.023 ( 0.000 7.985 4.647) 9.239 10.279 ( 0.000 2.084 1.700) 2.690 10.811 ( -0.000 -26.467 2.209) 26.559 11.092 ( -0.000 -33.223 29.952) 44.731 12.300 ( -0.000 0.572 -14.712) 14.723 12.405 ( 0.000 27.863 36.524) 45.938 12.506 ( 0.000 8.818 -7.263) 11.424 13.003 ( 0.000 12.602 6.608) 14.229 13.005 ( 0.000 16.416 14.809) 22.108 13.398 ( 0.000 -1.979 34.692) 34.749 13.942 ( 0.000 20.806 11.183) 23.621 14.990 ( -0.000 -6.232 5.024) 8.005 15.270 ( -0.000 -4.118 -6.732) 7.891 15.573 ( -0.000 0.546 -2.459) 2.519 16.256 ( -0.000 1.785 -6.336) 6.583 16.495 ( -0.000 0.100 -2.030) 2.032 16.739 ( -0.000 -5.340 -11.639) 12.805 16.909 ( -0.000 -4.378 -10.397) 11.281 17.022 ( 0.000 3.073 0.281) 3.085 17.067 ( -0.000 -3.720 -2.789) 4.649 17.312 ( -0.000 -6.551 -3.605) 7.477 17.484 ( -0.000 -10.743 3.287) 11.234 17.646 ( -0.000 -4.188 -23.485) 23.856 17.718 ( 0.000 1.425 0.614) 1.551 18.018 ( 0.000 1.930 -0.675) 2.045 18.034 ( 0.000 7.218 -0.031) 7.218 18.412 ( -0.000 -4.248 -6.442) 7.717 18.441 ( -0.000 -12.136 -2.455) 12.382 18.747 ( -0.000 6.937 -13.920) 15.552 18.779 ( -0.000 1.248 -8.065) 8.161 19.237 ( 0.000 -6.686 15.160) 16.569 19.242 ( 0.000 -0.510 2.527) 2.578 19.385 ( 0.000 2.321 23.789) 23.902 19.654 ( 0.000 0.093 26.225) 26.225 19.922 ( 0.000 -10.801 16.805) 19.977 20.099 ( -0.000 3.462 -10.833) 11.372 20.522 ( -0.000 -1.629 -4.933) 5.195 20.980 ( 0.000 0.832 0.129) 0.842 21.056 ( -0.000 -0.458 -0.044) 0.460 21.268 ( 0.000 -2.955 7.862) 8.399 21.386 ( 0.000 4.831 -4.360) 6.508 21.549 ( 0.000 20.500 -0.726) 20.512 21.788 ( -0.000 -2.867 1.465) 3.219 21.865 ( -0.000 2.061 -12.255) 12.427 21.935 ( 0.000 13.026 3.919) 13.603 22.026 ( -0.000 0.553 -5.653) 5.680 22.276 ( -0.000 -2.881 -2.166) 3.604 22.446 ( -0.000 11.415 -12.739) 17.105 22.510 ( 0.000 1.557 3.026) 3.403 22.764 ( 0.000 8.464 -7.038) 11.008 23.117 ( -0.000 -9.807 3.657) 10.466 23.166 ( 0.000 -2.436 10.843) 11.114 23.286 ( -0.000 -3.436 -15.555) 15.930 23.616 ( 0.000 3.106 3.308) 4.538 23.846 ( -0.000 -4.875 -4.611) 6.710 23.961 ( 0.000 -2.509 3.564) 4.358 23.982 ( 0.000 -3.878 5.607) 6.817 24.011 ( -0.000 0.066 -9.582) 9.582 24.073 ( -0.000 -0.313 0.206) 0.375 24.147 ( -0.000 -7.721 0.386) 7.731 24.503 ( -0.000 -2.970 -2.436) 3.841 24.962 ( 0.000 3.770 21.546) 21.873 25.130 ( 0.000 1.636 0.768) 1.807 25.325 ( -0.000 3.849 -15.012) 15.497 25.542 ( 0.000 -7.689 11.063) 13.473 26.540 ( -0.000 -0.817 -3.577) 3.669 26.784 ( 0.000 1.307 0.053) 1.308 26.954 ( -0.000 -0.717 0.229) 0.753 27.216 ( 0.000 0.288 -0.061) 0.294 27.413 ( 0.000 -1.216 1.551) 1.971 27.463 ( -0.000 2.298 -2.416) 3.335 28.027 ( -0.000 -2.180 -7.155) 7.479 28.457 ( -0.000 -0.585 -4.682) 4.719 28.643 ( 0.000 1.578 9.763) 9.890 28.712 ( 0.000 1.584 0.973) 1.859 29.114 ( -0.000 -1.814 -1.420) 2.303 29.442 ( 0.000 2.207 -1.295) 2.559 29.676 ( -0.000 -5.491 2.606) 6.078 29.937 ( -0.000 4.905 -4.836) 6.888 30.135 ( 0.000 -0.905 2.000) 2.195 30.262 ( -0.000 0.679 -1.721) 1.850 30.289 ( -0.000 -2.488 -4.831) 5.434 30.890 ( 0.000 0.806 4.202) 4.278 ======================= Grid point 34 (34/96) ======================= q-point: (-0.27 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( -19.361 -4.023 -1.658) 19.844 3.699 ( 14.351 6.026 -7.117) 17.115 4.406 ( -1.076 -4.400 1.959) 4.936 4.682 ( 12.980 2.954 -4.587) 14.081 5.869 ( 11.774 -6.161 4.332) 13.977 6.207 ( -2.381 -1.014 0.796) 2.707 6.518 ( 4.674 -2.471 11.481) 12.640 6.986 ( 5.480 5.347 -5.047) 9.170 7.760 ( 41.822 -12.792 -0.845) 43.742 8.219 ( -14.842 -0.592 7.423) 16.605 8.662 ( -0.549 5.581 -6.627) 8.681 8.951 ( 3.652 9.649 7.690) 12.868 9.466 ( 6.277 -6.757 6.609) 11.346 9.592 ( -33.244 -5.351 11.639) 35.627 10.771 ( -13.822 -5.671 -7.846) 16.875 11.142 ( -2.666 -8.866 -11.308) 14.615 11.297 ( 24.699 -7.002 4.251) 26.021 11.488 ( 33.817 1.305 4.251) 34.108 12.085 ( 1.302 10.316 -2.106) 10.609 12.816 ( -3.464 30.617 -10.071) 32.416 12.984 ( -4.374 8.847 -12.378) 15.831 13.543 ( -13.133 8.673 0.586) 15.749 13.964 ( 8.496 -10.570 -5.275) 14.551 14.077 ( 4.573 3.704 4.841) 7.621 14.911 ( 2.331 -6.837 15.791) 17.365 15.397 ( -5.972 7.544 11.164) 14.738 15.857 ( -20.278 -8.383 -1.793) 22.015 16.011 ( 5.083 -9.760 -11.877) 16.192 16.311 ( 10.778 -1.610 -9.576) 14.507 16.663 ( -6.406 0.965 0.137) 6.480 16.764 ( -1.378 -1.499 -0.077) 2.038 16.923 ( -8.365 4.199 6.598) 11.452 17.050 ( -9.633 2.588 -3.468) 10.560 17.365 ( -0.856 -3.153 0.506) 3.306 17.508 ( 7.151 -8.612 -1.401) 11.281 17.654 ( -11.223 -9.473 1.948) 14.815 18.091 ( -0.574 -1.629 -11.498) 11.627 18.099 ( -3.521 3.218 -13.000) 13.848 18.179 ( 7.961 2.976 -5.580) 10.167 18.306 ( -16.613 1.931 2.882) 16.971 18.576 ( -6.735 0.646 4.828) 8.312 18.800 ( 1.470 0.736 5.515) 5.754 18.870 ( -3.077 -5.207 -0.767) 6.097 19.011 ( -1.770 -6.495 -4.264) 7.969 19.162 ( -7.312 -1.355 9.243) 11.863 19.328 ( 13.091 -4.099 13.622) 19.332 19.740 ( -6.617 0.638 1.455) 6.806 19.833 ( 14.486 6.249 1.153) 15.819 20.188 ( 0.910 0.032 7.512) 7.567 20.260 ( -9.423 2.889 5.242) 11.163 20.274 ( 6.872 6.342 -0.501) 9.364 20.762 ( 9.819 -5.040 1.172) 11.099 20.804 ( -5.490 8.889 -5.499) 11.807 20.841 ( 0.972 -5.652 4.701) 7.416 21.367 ( -0.004 4.971 2.453) 5.544 21.605 ( 0.606 4.729 -6.270) 7.877 21.746 ( 1.082 3.593 2.307) 4.405 21.809 ( 3.046 -0.946 -3.991) 5.109 21.899 ( 1.731 -2.528 -6.986) 7.628 22.397 ( 2.521 4.552 1.055) 5.309 22.585 ( 7.328 3.639 -10.433) 13.259 22.735 ( -11.005 5.089 -8.391) 14.745 22.844 ( -4.195 -1.864 1.582) 4.855 23.013 ( -1.808 2.195 5.289) 6.005 23.081 ( -0.186 -3.429 -3.244) 4.724 23.193 ( 5.198 0.423 0.979) 5.307 23.309 ( 0.568 -11.905 0.901) 11.952 23.687 ( 5.168 -1.266 -3.356) 6.291 23.968 ( -0.048 0.653 2.491) 2.576 24.079 ( -4.767 -0.327 4.833) 6.796 24.119 ( -0.888 -1.714 7.938) 8.170 24.227 ( -1.032 1.290 -1.351) 2.134 24.422 ( -1.594 -2.666 5.521) 6.335 24.488 ( -3.234 -5.416 -5.542) 8.397 24.690 ( 6.078 1.191 -1.371) 6.344 24.857 ( 1.580 1.987 4.775) 5.408 24.969 ( 2.588 -0.389 4.991) 5.636 25.363 ( 4.199 5.818 1.264) 7.285 26.762 ( -1.364 -2.354 -3.046) 4.084 26.885 ( -1.009 1.311 1.172) 2.028 27.015 ( 2.072 -1.089 0.965) 2.532 27.033 ( 0.595 -0.341 2.116) 2.225 27.317 ( -1.923 -2.300 -5.407) 6.182 27.646 ( 2.681 6.821 -10.103) 12.482 27.857 ( 5.224 -4.355 -4.132) 7.958 28.098 ( -5.605 3.250 -0.523) 6.500 28.395 ( 0.051 -2.623 2.830) 3.859 28.614 ( -0.629 3.841 5.684) 6.889 29.321 ( -0.823 -6.973 1.658) 7.214 29.748 ( 2.420 4.721 3.146) 6.168 29.908 ( -1.013 -2.107 0.125) 2.341 29.938 ( -0.423 -0.968 0.223) 1.080 30.277 ( 1.653 -0.164 -0.091) 1.663 30.367 ( 0.473 1.901 -1.512) 2.475 30.638 ( -7.209 -1.336 -2.043) 7.611 30.780 ( 4.760 1.869 -0.241) 5.119 ======================= Grid point 35 (35/96) ======================= q-point: ( 0.53 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -21.359 -1.236 -0.940) 21.416 4.239 ( -0.316 1.363 -2.827) 3.154 4.345 ( 6.813 1.955 -2.458) 7.502 4.852 ( -6.985 23.904 13.757) 28.451 5.516 ( -6.856 1.491 -8.621) 11.115 5.675 ( -10.083 12.016 -1.435) 15.752 6.431 ( -2.046 17.414 19.256) 26.043 6.743 ( -14.449 23.084 15.311) 31.242 6.949 ( 0.963 6.148 4.458) 7.655 7.782 ( -6.700 -8.433 27.347) 29.391 7.996 ( -10.842 11.285 -17.542) 23.508 8.612 ( -14.954 -14.409 -12.216) 24.093 9.265 ( -10.314 21.473 12.248) 26.786 9.713 ( -17.485 -13.903 -9.042) 24.100 10.200 ( 5.606 0.543 -0.379) 5.645 10.990 ( 11.578 -17.588 -15.811) 26.332 11.390 ( -9.522 -29.511 -16.446) 35.100 11.756 ( 3.661 -14.655 -1.048) 15.142 11.870 ( -0.554 4.810 18.113) 18.749 12.511 ( -1.545 -2.925 -0.730) 3.387 12.654 ( -3.114 18.063 -5.085) 19.021 13.003 ( -10.473 10.476 3.083) 15.130 13.255 ( -4.042 1.799 -9.180) 10.190 13.412 ( -1.022 -0.106 -30.595) 30.612 15.204 ( -0.648 -0.076 -6.313) 6.346 15.540 ( 1.275 2.017 -6.506) 6.930 15.724 ( 0.171 2.940 -6.259) 6.917 16.143 ( 6.496 -7.303 0.898) 9.815 16.339 ( 13.090 5.189 7.318) 15.869 16.652 ( -4.792 6.654 -1.051) 8.267 16.890 ( 7.527 -1.416 5.476) 9.415 17.138 ( -6.054 0.085 -4.289) 7.420 17.342 ( 1.139 -9.583 6.692) 11.744 17.366 ( 8.756 7.957 4.990) 12.841 17.460 ( 9.167 -1.842 5.804) 11.005 17.763 ( -0.673 -0.525 3.771) 3.867 17.793 ( 1.775 0.245 6.699) 6.934 17.986 ( -6.946 -3.173 3.915) 8.582 18.115 ( -3.620 1.465 -0.422) 3.928 18.267 ( -11.647 2.148 4.698) 12.742 18.496 ( 2.491 -4.317 0.594) 5.020 18.669 ( -4.668 -3.975 7.412) 9.619 19.074 ( -6.869 8.584 6.668) 12.858 19.204 ( 7.281 -0.382 0.662) 7.321 19.290 ( 1.622 -13.519 -8.887) 16.259 19.437 ( -6.270 -5.426 -2.831) 8.762 19.623 ( -8.113 -14.961 -9.692) 19.585 20.080 ( -1.853 1.509 -7.423) 7.798 20.405 ( 13.283 -5.334 -2.250) 14.490 20.436 ( 0.030 12.097 -10.478) 16.004 20.673 ( 1.663 6.205 6.088) 8.850 21.002 ( 2.907 4.505 4.104) 6.752 21.074 ( -2.327 -6.865 -0.977) 7.314 21.196 ( 9.340 5.324 1.041) 10.802 21.358 ( 1.840 -5.323 1.573) 5.847 21.549 ( 2.648 2.900 3.931) 5.556 21.747 ( 0.861 -2.083 6.858) 7.219 21.842 ( 0.156 -3.669 11.660) 12.224 21.908 ( 4.775 -0.463 2.962) 5.638 22.043 ( 3.378 0.835 4.994) 6.086 22.233 ( 1.512 -0.833 4.202) 4.543 22.286 ( 2.698 -0.763 5.620) 6.280 22.775 ( -11.030 -1.589 1.920) 11.308 23.177 ( 4.477 1.251 -5.412) 7.134 23.279 ( 3.196 3.546 -7.654) 9.021 23.546 ( -3.778 -0.767 -0.119) 3.857 23.642 ( -0.389 6.085 6.597) 8.984 23.821 ( 4.666 -4.018 1.736) 6.398 23.951 ( 3.415 -2.228 7.768) 8.773 24.037 ( -3.427 -2.846 -3.692) 5.786 24.144 ( -4.181 1.969 -0.101) 4.623 24.282 ( -4.383 -1.688 -5.811) 7.472 24.358 ( -3.985 5.266 -2.048) 6.914 24.589 ( 9.371 1.199 -11.146) 14.611 24.786 ( 1.519 -0.356 -7.619) 7.777 24.992 ( 5.728 1.069 1.405) 5.994 25.151 ( -0.702 -5.553 8.698) 10.344 25.777 ( 10.418 10.022 -10.462) 17.845 26.707 ( -2.658 -0.028 0.238) 2.669 26.783 ( -5.976 2.275 -3.398) 7.241 27.026 ( 1.903 3.310 2.250) 4.432 27.146 ( -0.608 -5.171 -3.303) 6.166 27.253 ( 3.146 -1.576 4.270) 5.533 27.564 ( 3.632 5.709 -6.772) 9.573 28.082 ( 5.660 3.657 4.186) 7.933 28.372 ( 7.623 -3.222 -5.336) 9.847 28.600 ( -3.335 1.926 4.087) 5.616 28.647 ( 0.092 -3.058 0.305) 3.075 29.231 ( -5.108 -2.183 0.601) 5.587 29.406 ( -4.384 1.578 3.163) 5.631 29.723 ( -4.456 -6.300 2.365) 8.071 29.986 ( 1.078 4.564 -2.255) 5.204 30.136 ( -3.622 0.803 0.023) 3.710 30.300 ( 0.576 2.273 -1.561) 2.817 30.387 ( -1.676 0.379 3.172) 3.608 30.835 ( 0.002 -1.474 -2.627) 3.012 ======================= Grid point 36 (36/96) ======================= q-point: (-0.47 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 21.202 9.560 7.367) 24.397 3.782 ( -15.550 -4.442 0.970) 16.202 4.416 ( 6.716 0.467 2.329) 7.124 4.620 ( -2.338 -12.511 0.948) 12.763 5.707 ( 23.904 -18.913 -12.015) 32.764 6.127 ( 8.244 4.310 -6.697) 11.462 6.563 ( 7.545 -9.810 -3.927) 12.984 6.695 ( 14.681 1.314 -0.179) 14.741 7.045 ( 34.069 -14.025 -4.973) 37.177 8.000 ( 28.101 0.879 -4.542) 28.480 8.976 ( -16.842 -13.056 -4.304) 21.741 9.111 ( -21.380 4.941 -3.303) 22.191 9.462 ( -5.923 8.493 6.921) 12.455 10.051 ( 70.793 -21.433 -21.181) 76.939 10.328 ( -28.800 5.341 5.545) 29.811 10.991 ( 18.224 9.078 7.703) 21.768 11.265 ( -6.833 -4.233 -2.999) 8.579 11.531 ( -3.493 -27.248 3.623) 27.709 11.953 ( 0.899 16.050 1.838) 16.180 12.390 ( -10.902 23.910 3.629) 26.528 13.008 ( -8.600 2.306 14.665) 17.156 13.489 ( -8.225 13.266 7.717) 17.412 13.724 ( 16.887 -3.263 9.813) 19.802 14.220 ( 0.878 -10.221 -7.912) 12.955 14.970 ( 0.883 -4.259 -9.581) 10.522 15.368 ( -3.565 5.726 -11.609) 13.427 15.951 ( 11.930 2.864 9.953) 15.798 16.198 ( 3.017 -11.969 7.421) 14.402 16.347 ( -5.425 2.262 7.630) 9.632 16.634 ( -14.179 2.547 -3.325) 14.785 16.903 ( 3.341 4.997 1.285) 6.147 16.978 ( -7.559 12.985 -0.837) 15.048 17.138 ( -0.485 3.459 -7.373) 8.158 17.359 ( -4.612 -5.721 2.122) 7.649 17.533 ( 14.602 -2.054 7.545) 16.564 17.628 ( 15.834 2.897 8.757) 18.325 17.916 ( 4.552 -7.962 2.865) 9.608 18.089 ( -4.479 -6.665 -3.169) 8.632 18.272 ( 0.657 18.300 -1.083) 18.344 18.371 ( -8.903 1.896 11.108) 14.361 18.562 ( 3.552 -1.554 -14.461) 14.972 18.752 ( -0.907 -5.972 -8.071) 10.081 18.999 ( 8.099 -2.761 -3.603) 9.284 19.175 ( 1.429 1.504 5.792) 6.152 19.264 ( -11.869 1.054 -2.245) 12.125 19.332 ( 8.189 -2.096 -6.640) 10.749 19.699 ( -11.798 -2.168 12.165) 17.085 20.003 ( -5.507 9.242 -2.931) 11.150 20.089 ( -8.396 -6.249 3.131) 10.925 20.224 ( -5.278 -2.534 -9.615) 11.257 20.409 ( -3.282 1.404 -8.582) 9.295 20.572 ( -10.585 18.316 -5.093) 21.759 20.915 ( -5.270 -9.452 -4.756) 11.821 20.955 ( -3.320 -3.358 -5.548) 7.286 21.262 ( 3.145 -0.796 0.834) 3.350 21.465 ( 1.375 6.316 5.541) 8.514 21.722 ( 3.457 -1.749 0.828) 3.962 21.791 ( 1.007 -3.424 3.858) 5.256 22.008 ( 0.156 -8.197 0.666) 8.225 22.193 ( 3.196 9.004 1.427) 9.660 22.315 ( 9.587 2.056 11.362) 15.007 22.573 ( 12.057 4.240 4.659) 13.604 22.945 ( -2.826 0.598 -1.564) 3.285 23.142 ( -1.490 0.838 2.573) 3.089 23.226 ( -4.498 -4.052 -0.716) 6.097 23.246 ( -17.376 2.262 1.824) 17.617 23.527 ( 1.593 -9.269 -4.846) 10.579 23.644 ( -0.883 -1.058 2.817) 3.136 23.903 ( 3.575 0.888 -2.053) 4.217 24.104 ( 3.291 -0.921 -7.911) 8.617 24.179 ( -9.434 2.981 -1.385) 9.990 24.269 ( -2.642 0.525 1.180) 2.941 24.487 ( 7.225 0.853 4.960) 8.805 24.580 ( -0.469 -7.694 0.036) 7.708 24.629 ( 2.655 1.826 -2.936) 4.360 24.772 ( -5.504 1.411 -2.598) 6.248 25.102 ( -4.611 -9.216 -2.297) 10.558 25.195 ( -0.586 5.983 -5.137) 7.907 26.821 ( -0.911 -1.729 -0.231) 1.968 26.870 ( 0.123 2.127 0.330) 2.156 26.996 ( 2.482 -1.646 -0.001) 2.978 27.049 ( -1.346 -0.875 -1.879) 2.471 27.407 ( 0.986 0.727 6.957) 7.065 27.513 ( -3.202 0.917 8.498) 9.127 27.857 ( 2.455 -4.004 1.674) 4.986 28.172 ( -8.352 3.882 1.349) 9.308 28.460 ( -0.651 -2.897 -3.449) 4.551 28.582 ( -3.672 4.057 -3.234) 6.356 29.448 ( 4.161 -8.274 -2.050) 9.486 29.556 ( 4.794 5.996 -2.903) 8.208 29.931 ( 0.647 0.285 0.832) 1.092 29.966 ( 0.040 -0.483 -0.812) 0.945 30.252 ( 2.518 -1.868 0.298) 3.149 30.309 ( 1.155 1.314 0.991) 2.010 30.581 ( 7.535 2.491 0.245) 7.940 30.809 ( -5.003 -0.656 1.673) 5.315 ======================= Grid point 37 (37/96) ======================= q-point: ( 0.32 -0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -27.981 -15.816 -0.000) 32.142 4.003 ( -1.476 6.989 0.000) 7.143 4.315 ( -3.935 3.345 0.000) 5.164 4.570 ( -19.093 43.470 0.000) 47.478 4.706 ( -39.237 30.732 0.000) 49.840 5.607 ( -23.974 6.897 0.000) 24.947 6.177 ( -16.458 6.088 0.000) 17.547 6.394 ( -6.775 11.795 0.000) 13.602 6.763 ( -7.408 2.762 0.000) 7.906 7.508 ( -14.292 -9.666 -0.000) 17.254 7.816 ( -80.560 48.014 0.000) 93.783 9.197 ( 8.184 0.869 -0.000) 8.230 9.674 ( 18.329 -4.367 -0.000) 18.842 9.940 ( 19.466 -2.562 -0.000) 19.634 10.676 ( -3.349 -3.065 -0.000) 4.540 11.027 ( -7.647 1.384 0.000) 7.771 11.281 ( 16.564 -8.243 -0.000) 18.502 11.796 ( 16.889 31.939 0.000) 36.130 11.920 ( 1.117 -33.941 -0.000) 33.959 12.465 ( -0.895 -28.723 -0.000) 28.737 13.264 ( -14.619 -19.757 -0.000) 24.578 13.284 ( -20.792 3.224 0.000) 21.041 14.004 ( 12.600 4.940 0.000) 13.533 14.171 ( 14.267 0.645 -0.000) 14.282 15.014 ( 13.681 10.432 0.000) 17.205 15.311 ( 3.809 1.154 0.000) 3.980 15.884 ( -3.679 -3.560 -0.000) 5.119 16.164 ( -10.792 13.201 0.000) 17.051 16.481 ( -1.464 -6.998 -0.000) 7.150 16.693 ( -15.744 -9.404 -0.000) 18.339 16.738 ( -3.350 -6.623 -0.000) 7.422 16.957 ( 13.843 3.704 -0.000) 14.330 17.286 ( -16.509 5.531 0.000) 17.411 17.372 ( 13.589 -5.518 -0.000) 14.667 17.399 ( -13.273 0.968 0.000) 13.308 17.686 ( 1.014 -2.200 -0.000) 2.423 17.704 ( -6.911 4.632 0.000) 8.319 18.028 ( 6.423 -8.522 -0.000) 10.671 18.118 ( -1.972 1.766 0.000) 2.647 18.333 ( -5.258 3.557 0.000) 6.348 18.484 ( -5.319 5.098 0.000) 7.367 18.519 ( -28.492 10.574 0.000) 30.391 19.030 ( 7.986 7.746 0.000) 11.125 19.086 ( -14.684 -13.804 -0.000) 20.154 19.375 ( 33.990 -9.630 -0.000) 35.328 19.490 ( 12.176 -2.810 -0.000) 12.496 19.976 ( 2.278 -7.866 -0.000) 8.190 20.068 ( 1.196 -8.445 -0.000) 8.529 20.350 ( 5.321 -8.367 -0.000) 9.916 20.427 ( 11.017 2.877 -0.000) 11.386 20.467 ( 18.953 3.949 -0.000) 19.360 20.818 ( 11.053 -3.757 -0.000) 11.674 20.924 ( 6.044 4.815 0.000) 7.728 20.958 ( 7.475 -2.858 -0.000) 8.003 21.193 ( -2.410 10.770 0.000) 11.036 21.416 ( -4.959 -6.361 -0.000) 8.066 21.657 ( -4.153 -0.476 0.000) 4.180 21.798 ( -3.158 7.591 0.000) 8.221 21.938 ( -4.691 -0.974 0.000) 4.791 22.162 ( -4.098 -9.696 -0.000) 10.527 22.261 ( -11.241 -1.297 0.000) 11.316 22.385 ( -7.411 -5.273 -0.000) 9.095 22.958 ( -2.491 -1.591 -0.000) 2.956 23.200 ( 1.375 2.154 0.000) 2.555 23.273 ( -2.110 6.084 0.000) 6.440 23.336 ( 2.278 4.927 0.000) 5.428 23.634 ( 9.894 1.123 -0.000) 9.957 23.727 ( 2.467 1.199 0.000) 2.743 23.877 ( 0.836 -2.942 -0.000) 3.059 23.897 ( -2.613 2.005 0.000) 3.293 24.294 ( -0.363 3.140 0.000) 3.161 24.355 ( 0.093 -1.293 -0.000) 1.297 24.507 ( -1.615 -5.822 -0.000) 6.042 24.577 ( 0.334 15.501 0.000) 15.505 24.722 ( 18.096 -0.325 -0.000) 18.099 24.770 ( 1.471 -3.926 -0.000) 4.193 25.108 ( -2.180 -7.384 -0.000) 7.699 25.347 ( 17.503 13.435 0.000) 22.065 26.823 ( 0.254 1.788 0.000) 1.806 26.839 ( -4.691 1.161 0.000) 4.832 26.998 ( -0.803 2.645 0.000) 2.764 27.027 ( 2.155 -0.892 -0.000) 2.333 27.421 ( -3.786 -4.683 -0.000) 6.022 27.729 ( 7.413 6.108 0.000) 9.605 27.791 ( -5.565 1.597 0.000) 5.789 28.351 ( 5.732 -0.878 -0.000) 5.799 28.446 ( 3.521 0.251 -0.000) 3.530 28.669 ( 6.044 -4.716 -0.000) 7.666 29.298 ( -6.940 6.915 0.000) 9.797 29.417 ( -4.883 -5.422 -0.000) 7.297 29.913 ( -3.332 -5.647 -0.000) 6.557 29.947 ( -0.786 3.994 0.000) 4.071 30.190 ( -3.266 1.330 0.000) 3.527 30.290 ( -1.257 0.802 0.000) 1.491 30.419 ( -7.206 -1.485 0.000) 7.357 30.914 ( 2.871 -0.776 -0.000) 2.974 ======================= Grid point 38 (38/96) ======================= q-point: ( 0.32 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 25.880 -0.368 -1.608) 25.933 4.080 ( -13.540 -0.194 0.885) 13.570 4.246 ( 3.914 -0.228 1.279) 4.124 4.926 ( -8.560 2.062 4.246) 9.775 5.690 ( 26.614 8.611 3.977) 28.253 5.962 ( 13.223 -2.581 0.190) 13.474 6.572 ( 2.077 0.079 1.916) 2.827 6.815 ( 0.299 0.735 10.631) 10.660 7.288 ( 8.405 13.457 22.571) 27.589 7.913 ( 35.220 0.808 -10.844) 36.861 8.421 ( 12.573 -10.062 8.757) 18.331 8.579 ( 4.234 -12.345 -20.265) 24.104 9.772 ( -0.520 2.040 4.002) 4.522 10.013 ( -12.249 -1.829 -1.705) 12.501 10.329 ( 30.208 12.890 19.984) 38.446 10.811 ( 16.675 3.189 -21.747) 27.589 11.498 ( -2.921 5.523 -3.611) 7.216 11.611 ( -1.322 3.406 9.392) 10.077 11.894 ( -12.137 7.145 -0.743) 14.103 12.544 ( -14.146 -9.700 -4.719) 17.790 12.773 ( 1.527 -10.326 0.136) 10.439 12.865 ( 23.274 -3.752 -6.658) 24.496 13.203 ( 1.405 -11.848 8.208) 14.482 13.567 ( 23.456 -7.278 -5.191) 25.102 15.071 ( 0.915 -1.009 2.452) 2.805 15.455 ( 3.447 1.656 1.877) 4.260 15.894 ( 3.299 19.365 -1.373) 19.691 16.071 ( -4.522 -1.122 -5.107) 6.913 16.218 ( 3.199 -9.789 1.137) 10.361 16.718 ( 1.625 -4.012 -0.743) 4.392 16.764 ( -8.175 0.659 -1.124) 8.278 17.094 ( -9.071 -2.853 -0.322) 9.515 17.191 ( 4.598 -0.601 0.740) 4.696 17.334 ( -3.707 9.265 2.165) 10.211 17.430 ( -8.076 -1.850 3.002) 8.812 17.736 ( 0.834 9.894 0.356) 9.935 17.784 ( -6.809 9.466 -1.354) 11.739 17.939 ( -6.967 -12.883 -2.978) 14.946 18.292 ( 4.248 -9.568 -3.314) 10.981 18.462 ( 4.780 1.914 -2.696) 5.812 18.623 ( 6.175 8.921 4.749) 11.844 18.805 ( 11.083 -0.702 2.966) 11.495 18.952 ( -11.101 2.100 -5.233) 12.451 19.154 ( -12.799 5.164 -4.096) 14.396 19.513 ( 7.950 -0.801 7.267) 10.800 19.685 ( 14.422 5.654 0.985) 15.522 19.865 ( 9.582 -0.259 -8.023) 12.500 19.960 ( 0.711 7.582 2.670) 8.070 20.032 ( -7.632 -0.162 -2.327) 7.980 20.399 ( 7.923 -1.414 5.434) 9.711 20.644 ( -26.293 -3.344 0.478) 26.510 20.727 ( -6.945 -16.002 -1.520) 17.511 21.039 ( -1.950 4.134 2.065) 5.016 21.165 ( 0.739 -3.742 -2.494) 4.557 21.310 ( -7.470 -1.668 -2.335) 8.003 21.579 ( 2.958 1.596 -0.419) 3.387 21.783 ( -12.335 2.575 2.124) 12.779 21.849 ( -5.135 4.847 -0.575) 7.085 21.890 ( 2.153 -1.525 1.317) 2.949 22.001 ( -0.266 -8.248 -1.628) 8.411 22.186 ( -10.667 -0.610 -2.317) 10.933 22.256 ( 2.287 -3.937 -0.048) 4.553 22.898 ( 5.793 -1.298 0.292) 5.944 23.115 ( -2.161 0.505 -0.260) 2.234 23.170 ( 2.553 1.676 0.363) 3.075 23.443 ( -6.297 1.762 0.884) 6.598 23.754 ( -0.559 3.903 4.820) 6.228 23.814 ( -13.689 0.788 0.495) 13.721 23.832 ( -1.239 0.114 -5.057) 5.208 24.122 ( 1.101 0.404 -1.276) 1.733 24.209 ( 5.702 -1.471 1.970) 6.209 24.274 ( 4.269 0.948 0.394) 4.391 24.320 ( 2.926 -0.286 0.727) 3.028 24.501 ( 3.943 1.228 -0.454) 4.155 24.777 ( 3.955 1.311 3.554) 5.476 24.865 ( -5.011 -1.525 -2.446) 5.780 25.239 ( -5.160 4.942 -2.537) 7.582 25.483 ( -3.874 -6.012 4.445) 8.421 26.751 ( 1.567 2.306 -1.166) 3.022 26.890 ( 6.329 -1.459 1.049) 6.579 27.019 ( -0.172 2.663 6.443) 6.973 27.078 ( -1.900 -2.637 -6.957) 7.679 27.222 ( -6.386 -0.369 -1.981) 6.697 27.341 ( -4.475 -1.478 3.220) 5.708 27.992 ( -5.935 1.436 3.463) 7.020 28.148 ( -7.728 -1.280 -3.488) 8.574 28.619 ( -1.534 3.169 1.345) 3.769 28.708 ( -0.011 -3.803 -1.477) 4.079 29.372 ( 6.684 4.869 -0.306) 8.275 29.557 ( 6.282 -4.062 0.614) 7.506 29.857 ( 2.652 4.048 -1.766) 5.152 29.958 ( 2.734 -1.782 1.239) 3.490 30.207 ( 2.863 -0.909 0.156) 3.008 30.261 ( -0.116 -0.901 0.776) 1.195 30.470 ( 3.153 0.156 -0.447) 3.189 30.798 ( -1.162 -0.069 -0.159) 1.175 ======================= Grid point 39 (39/96) ======================= q-point: ( 0.12 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -21.533 -2.632 11.755) 24.674 3.731 ( 16.573 0.659 -1.021) 16.617 4.350 ( -8.625 1.132 -0.527) 8.715 4.582 ( 2.799 2.704 -6.308) 7.412 5.687 ( -22.914 11.369 -13.522) 28.934 6.233 ( -3.671 3.135 1.564) 5.075 6.640 ( -13.735 -1.555 -9.550) 16.800 6.718 ( -9.161 -2.723 -3.659) 10.233 6.997 ( -34.322 14.125 -17.619) 41.085 7.970 ( -26.130 9.477 -5.754) 28.385 8.796 ( 10.172 6.137 0.329) 11.884 9.424 ( 19.666 -12.294 -4.967) 23.719 9.494 ( 1.293 -12.634 6.634) 14.328 10.184 ( -15.048 -2.960 -1.057) 15.372 10.502 ( -31.150 8.675 -21.540) 38.853 10.823 ( -2.485 10.269 16.129) 19.281 11.230 ( -2.261 -5.088 -15.294) 16.276 11.309 ( 13.801 3.202 -1.154) 14.214 11.633 ( -6.551 22.426 12.530) 26.511 12.725 ( 12.306 -27.551 12.116) 32.516 13.146 ( 11.017 -12.627 1.545) 16.828 13.382 ( -2.923 -14.733 14.062) 20.576 13.751 ( -15.354 -3.287 5.604) 16.672 14.089 ( -4.164 3.175 -3.337) 6.209 15.152 ( -5.461 -0.825 -9.166) 10.701 15.609 ( -3.711 10.098 1.628) 10.881 15.730 ( -8.929 0.520 10.909) 14.107 15.932 ( -3.952 3.453 -13.273) 14.273 16.184 ( 20.318 0.531 9.460) 22.419 16.740 ( -0.743 -3.398 1.303) 3.714 16.874 ( 8.821 -0.362 -1.402) 8.939 17.016 ( -8.110 9.880 5.435) 13.890 17.216 ( -1.948 2.935 0.452) 3.552 17.347 ( -4.248 2.808 -5.391) 7.416 17.425 ( 11.244 -5.382 -2.116) 12.644 17.477 ( -11.205 2.686 10.379) 15.508 17.664 ( -17.964 7.830 5.418) 20.332 18.024 ( 10.472 3.996 -3.078) 11.623 18.197 ( 11.523 -9.511 10.233) 18.110 18.561 ( 6.245 -5.804 9.329) 12.637 18.695 ( 4.883 -7.416 3.169) 9.427 18.789 ( 18.785 2.711 15.055) 24.226 19.077 ( -14.912 -4.310 -10.134) 18.538 19.252 ( -9.727 -0.800 -11.381) 14.993 19.277 ( -5.103 5.180 -9.799) 12.202 19.402 ( 24.320 0.277 -3.290) 24.543 19.525 ( -10.966 7.315 -7.556) 15.194 20.005 ( 3.312 1.341 -2.956) 4.637 20.227 ( 2.352 -4.802 -5.457) 7.640 20.344 ( 0.635 0.898 -2.779) 2.988 20.531 ( -7.703 1.295 -0.096) 7.812 20.615 ( 14.932 11.325 -3.378) 19.043 20.878 ( 6.231 -7.135 0.285) 9.477 21.059 ( 11.219 1.671 0.408) 11.350 21.445 ( 4.293 -4.693 3.185) 7.113 21.457 ( -0.284 -8.071 4.285) 9.143 21.655 ( -8.509 4.157 0.061) 9.470 21.692 ( 5.451 0.401 0.122) 5.467 21.878 ( -2.226 5.099 -1.197) 5.691 22.205 ( -2.923 -11.680 2.223) 12.243 22.409 ( -3.462 -12.972 2.450) 13.648 22.551 ( -8.182 -4.269 4.906) 10.452 22.996 ( 3.020 -0.930 -0.983) 3.310 23.078 ( -1.376 1.538 2.865) 3.531 23.088 ( 5.765 7.004 0.362) 9.079 23.250 ( 3.827 4.756 2.820) 6.724 23.467 ( 12.005 3.632 -4.046) 13.179 23.533 ( 1.005 3.618 0.856) 3.852 23.928 ( -1.912 0.893 3.080) 3.734 24.168 ( 0.839 -1.918 2.427) 3.205 24.228 ( -2.079 0.763 -6.394) 6.767 24.344 ( -0.394 -0.820 -3.667) 3.778 24.407 ( -3.151 3.300 4.149) 6.167 24.436 ( -4.053 3.552 -4.029) 6.728 24.691 ( -0.686 1.628 -4.522) 4.855 24.900 ( 1.062 -3.759 -1.389) 4.146 25.059 ( 0.262 3.659 -4.627) 5.904 25.410 ( 2.405 -4.502 -4.382) 6.727 26.733 ( 2.760 3.021 3.946) 5.685 26.936 ( -1.927 -1.618 -3.171) 4.048 26.971 ( -3.328 1.174 -1.113) 3.700 27.109 ( 2.790 -0.920 -3.819) 4.818 27.261 ( 2.403 1.511 3.861) 4.793 27.365 ( 0.194 -4.674 13.604) 14.386 27.768 ( 0.956 3.422 -1.757) 3.963 28.169 ( 7.008 -2.979 5.362) 9.313 28.477 ( 1.294 2.577 -3.312) 4.392 28.748 ( 1.471 -4.272 -3.775) 5.888 29.334 ( -2.703 6.921 -1.268) 7.538 29.734 ( -5.818 -4.834 -3.670) 8.408 29.884 ( -2.441 2.292 0.773) 3.436 29.960 ( 0.330 1.729 -0.350) 1.795 30.251 ( -1.173 -0.587 -0.866) 1.572 30.312 ( -1.477 -1.599 1.552) 2.674 30.589 ( -4.689 -0.342 2.146) 5.168 30.775 ( 3.000 -0.480 0.785) 3.138 ======================= Grid point 41 (40/96) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -14.311 0.000 -2.016) 14.452 3.589 ( 11.773 -0.000 -6.515) 13.455 4.448 ( -2.205 0.000 4.017) 4.582 4.599 ( 9.362 -0.000 -5.012) 10.619 5.892 ( 5.448 -0.000 4.353) 6.973 6.191 ( -1.987 0.000 -0.203) 1.997 6.755 ( -1.731 -0.000 4.942) 5.236 6.960 ( 11.150 -0.000 2.472) 11.420 7.584 ( 20.733 -0.000 -1.720) 20.804 8.359 ( 2.782 -0.000 7.061) 7.589 8.549 ( 4.467 -0.000 -6.199) 7.641 9.297 ( -0.990 -0.000 13.477) 13.513 9.521 ( 8.276 -0.000 5.265) 9.809 9.918 ( -19.181 0.000 17.046) 25.661 10.518 ( -21.275 0.000 -11.745) 24.302 10.778 ( -22.002 0.000 -11.102) 24.644 11.253 ( -1.793 0.000 -0.468) 1.853 11.673 ( 49.332 -0.000 8.018) 49.979 11.886 ( 25.143 -0.000 -18.299) 31.097 13.033 ( -9.734 0.000 4.457) 10.705 13.122 ( 1.158 -0.000 -1.219) 1.681 13.427 ( -17.865 0.000 -10.330) 20.637 13.692 ( 5.754 -0.000 -4.729) 7.448 14.292 ( 6.641 -0.000 4.516) 8.031 15.148 ( 0.363 -0.000 14.666) 14.671 15.640 ( -13.082 0.000 -7.611) 15.135 15.661 ( -4.498 0.000 -0.483) 4.524 15.701 ( 2.524 0.000 -7.837) 8.233 16.220 ( 6.145 -0.000 6.976) 9.297 16.686 ( -3.595 0.000 -1.772) 4.008 16.787 ( 0.669 -0.000 5.764) 5.802 16.918 ( -3.236 0.000 -2.902) 4.347 17.120 ( 1.286 -0.000 7.874) 7.979 17.371 ( -4.326 0.000 -1.984) 4.759 17.390 ( -3.899 0.000 0.035) 3.899 17.553 ( 2.586 -0.000 -3.832) 4.623 17.888 ( -24.513 0.000 -10.508) 26.670 17.921 ( 0.906 -0.000 -0.319) 0.960 18.030 ( 1.272 0.000 -9.309) 9.396 18.259 ( -9.473 0.000 -7.184) 11.889 18.366 ( -3.272 0.000 -19.895) 20.162 18.785 ( -2.749 0.000 6.391) 6.957 18.964 ( -7.796 0.000 5.799) 9.716 19.218 ( 7.756 -0.000 14.765) 16.678 19.376 ( 5.806 -0.000 15.291) 16.356 19.777 ( 21.697 -0.000 23.512) 31.993 19.839 ( -16.543 0.000 3.030) 16.818 19.985 ( 18.435 -0.000 2.445) 18.597 20.055 ( 8.338 -0.000 -9.987) 13.010 20.299 ( 0.838 0.000 -3.476) 3.575 20.464 ( -0.314 -0.000 6.807) 6.814 20.475 ( -12.661 0.000 -7.276) 14.603 20.870 ( -0.396 -0.000 3.781) 3.801 20.881 ( 2.450 -0.000 -2.946) 3.831 21.424 ( -6.738 0.000 -2.337) 7.132 21.509 ( 2.471 -0.000 -5.876) 6.375 21.645 ( 2.502 0.000 -9.023) 9.364 21.753 ( 0.090 0.000 -1.696) 1.698 21.913 ( 2.697 -0.000 2.878) 3.944 22.472 ( 3.197 -0.000 2.046) 3.796 22.604 ( -0.003 -0.000 2.277) 2.277 22.634 ( -6.692 0.000 -6.296) 9.188 22.876 ( -1.871 0.000 2.704) 3.288 22.902 ( 0.278 0.000 -5.408) 5.415 23.101 ( -6.284 0.000 1.374) 6.432 23.121 ( -2.837 0.000 -3.277) 4.334 23.275 ( 8.974 -0.000 3.170) 9.518 23.536 ( 4.977 -0.000 -7.597) 9.082 23.921 ( -1.903 0.000 -2.663) 3.273 24.195 ( -5.468 0.000 4.996) 7.407 24.212 ( -0.828 0.000 -0.510) 0.972 24.338 ( 2.914 -0.000 -0.894) 3.048 24.355 ( -0.595 -0.000 5.400) 5.433 24.561 ( 4.563 -0.000 11.154) 12.051 24.668 ( 0.283 -0.000 -0.339) 0.441 24.986 ( 1.896 -0.000 -1.513) 2.425 25.037 ( 1.055 -0.000 6.483) 6.568 25.435 ( 1.886 -0.000 0.423) 1.933 26.644 ( -1.952 0.000 -4.244) 4.671 26.951 ( -0.948 -0.000 4.191) 4.297 27.028 ( 3.084 -0.000 1.029) 3.251 27.089 ( -0.420 -0.000 2.466) 2.501 27.210 ( -2.017 0.000 -3.050) 3.657 27.433 ( 1.781 0.000 -14.515) 14.624 27.761 ( 4.224 -0.000 -1.307) 4.421 28.082 ( -4.081 0.000 -3.127) 5.141 28.435 ( 0.273 -0.000 3.188) 3.199 28.785 ( -0.201 -0.000 4.911) 4.915 29.273 ( -0.557 0.000 1.055) 1.193 29.884 ( -0.597 0.000 0.501) 0.779 29.890 ( 1.916 -0.000 4.006) 4.440 29.921 ( 0.090 0.000 -0.352) 0.363 30.278 ( 1.032 -0.000 0.158) 1.044 30.347 ( 0.258 0.000 -1.906) 1.924 30.569 ( -4.657 0.000 -2.692) 5.379 30.795 ( 2.435 -0.000 -0.181) 2.442 ======================= Grid point 42 (41/96) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.000 0.000 -18.463) 18.463 1.705 ( -0.000 0.000 -81.201) 81.201 2.082 ( -0.000 0.000 -74.986) 74.986 2.524 ( -0.000 0.000 -116.865) 116.865 4.324 ( -0.000 0.000 -1.259) 1.259 4.405 ( 0.000 -0.000 0.534) 0.534 5.348 ( -0.000 0.000 -5.185) 5.185 5.997 ( -0.000 0.000 -0.053) 0.053 6.031 ( -0.000 0.000 -1.128) 1.128 6.710 ( -0.000 0.000 -6.737) 6.737 8.613 ( 0.000 -0.000 1.477) 1.477 9.415 ( 0.000 -0.000 11.552) 11.552 9.991 ( -0.000 0.000 -9.163) 9.163 10.158 ( 0.000 -0.000 10.306) 10.306 10.468 ( 0.000 -0.000 0.942) 0.942 10.577 ( 0.000 -0.000 11.453) 11.453 11.106 ( 0.000 -0.000 11.192) 11.192 12.153 ( -0.000 0.000 -0.969) 0.969 12.509 ( -0.000 0.000 -1.007) 1.007 13.109 ( 0.000 -0.000 8.001) 8.001 13.148 ( -0.000 0.000 -2.007) 2.007 13.726 ( 0.000 -0.000 24.266) 24.266 14.158 ( 0.000 -0.000 35.160) 35.160 14.578 ( 0.000 -0.000 22.970) 22.970 14.911 ( -0.000 0.000 -17.586) 17.586 15.149 ( 0.000 -0.000 12.322) 12.322 15.575 ( 0.000 -0.000 3.603) 3.603 16.118 ( -0.000 0.000 -4.501) 4.501 16.270 ( -0.000 0.000 -17.547) 17.547 16.495 ( 0.000 -0.000 2.684) 2.684 16.513 ( -0.000 0.000 -19.008) 19.008 16.997 ( -0.000 0.000 -3.225) 3.225 17.016 ( -0.000 0.000 -3.752) 3.752 17.065 ( -0.000 0.000 -23.894) 23.894 17.208 ( 0.000 -0.000 0.862) 0.862 17.493 ( 0.000 -0.000 8.789) 8.789 17.811 ( 0.000 -0.000 4.024) 4.024 18.112 ( 0.000 -0.000 4.866) 4.866 18.154 ( 0.000 -0.000 3.421) 3.421 18.173 ( -0.000 0.000 -5.513) 5.513 18.214 ( -0.000 0.000 -19.250) 19.250 18.600 ( -0.000 0.000 -10.616) 10.616 18.642 ( 0.000 -0.000 2.154) 2.154 19.311 ( 0.000 -0.000 2.828) 2.828 19.349 ( 0.000 -0.000 6.156) 6.156 19.839 ( -0.000 0.000 -0.182) 0.182 20.151 ( 0.000 -0.000 13.434) 13.434 20.166 ( 0.000 -0.000 26.152) 26.152 20.214 ( 0.000 -0.000 19.674) 19.674 20.433 ( 0.000 -0.000 4.760) 4.760 21.005 ( -0.000 0.000 -2.498) 2.498 21.020 ( 0.000 -0.000 3.414) 3.414 21.284 ( -0.000 0.000 -8.165) 8.165 21.434 ( 0.000 -0.000 7.014) 7.014 21.438 ( -0.000 0.000 -27.386) 27.386 21.643 ( -0.000 0.000 -8.508) 8.508 21.756 ( -0.000 0.000 -1.979) 1.979 21.951 ( -0.000 0.000 -1.549) 1.549 22.030 ( -0.000 0.000 -13.909) 13.909 22.197 ( 0.000 -0.000 1.134) 1.134 22.363 ( -0.000 0.000 -15.218) 15.218 22.584 ( 0.000 -0.000 1.533) 1.533 22.649 ( -0.000 0.000 -0.880) 0.880 22.913 ( -0.000 0.000 -9.506) 9.506 23.216 ( 0.000 -0.000 6.922) 6.922 23.368 ( 0.000 -0.000 10.534) 10.534 23.737 ( -0.000 0.000 -1.840) 1.840 23.797 ( 0.000 -0.000 4.973) 4.973 23.900 ( -0.000 0.000 -3.287) 3.287 23.907 ( -0.000 0.000 -1.085) 1.085 23.998 ( 0.000 -0.000 3.402) 3.402 24.071 ( 0.000 -0.000 0.230) 0.230 24.144 ( 0.000 -0.000 6.090) 6.090 24.442 ( -0.000 0.000 -1.488) 1.488 25.056 ( -0.000 0.000 -10.099) 10.099 25.163 ( 0.000 -0.000 0.408) 0.408 25.434 ( 0.000 -0.000 13.550) 13.550 25.603 ( 0.000 -0.000 4.987) 4.987 26.473 ( -0.000 0.000 -1.928) 1.928 26.802 ( 0.000 -0.000 1.303) 1.303 26.996 ( 0.000 -0.000 1.892) 1.892 27.164 ( -0.000 0.000 -3.841) 3.841 27.428 ( -0.000 0.000 -1.329) 1.329 27.455 ( 0.000 -0.000 1.816) 1.816 27.882 ( -0.000 0.000 -4.120) 4.120 28.353 ( -0.000 0.000 -4.037) 4.037 28.740 ( 0.000 -0.000 0.012) 0.012 28.851 ( 0.000 -0.000 7.748) 7.748 29.066 ( -0.000 0.000 -1.251) 1.251 29.420 ( -0.000 0.000 -2.705) 2.705 29.657 ( 0.000 -0.000 1.334) 1.334 29.903 ( -0.000 0.000 -2.999) 2.999 30.167 ( 0.000 -0.000 1.785) 1.785 30.171 ( -0.000 0.000 -3.331) 3.331 30.233 ( -0.000 0.000 -1.600) 1.600 30.974 ( 0.000 -0.000 2.728) 2.728 ======================= Grid point 43 (42/96) ======================= q-point: (-0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( 15.389 12.429 0.000) 19.782 3.711 ( -16.452 -2.981 0.000) 16.720 4.313 ( 10.782 -16.844 -0.000) 19.999 4.469 ( 9.876 1.634 -0.000) 10.010 5.199 ( 43.458 -14.224 -0.000) 45.726 6.103 ( 13.137 3.806 -0.000) 13.677 6.302 ( 4.187 -8.813 -0.000) 9.757 6.568 ( 47.581 -12.473 -0.000) 49.189 6.944 ( 8.141 2.197 -0.000) 8.433 8.101 ( 25.534 4.650 -0.000) 25.954 8.708 ( -16.876 -7.754 -0.000) 18.572 8.953 ( 53.740 -8.263 -0.000) 54.371 9.573 ( 24.381 1.119 -0.000) 24.407 9.645 ( -18.985 4.176 0.000) 19.438 10.269 ( -29.440 -16.332 -0.000) 33.666 11.065 ( -6.729 -5.708 -0.000) 8.823 11.227 ( -0.458 -3.843 -0.000) 3.870 11.355 ( 7.644 9.140 0.000) 11.915 12.237 ( -2.755 4.186 0.000) 5.012 12.992 ( -5.423 29.672 0.000) 30.164 13.448 ( -16.945 -5.643 -0.000) 17.860 13.586 ( 3.020 12.442 0.000) 12.804 13.861 ( 9.086 10.291 0.000) 13.728 13.979 ( 0.175 -4.803 -0.000) 4.806 14.735 ( -4.518 -3.838 -0.000) 5.928 15.301 ( -2.336 2.355 0.000) 3.317 16.015 ( 7.014 -15.188 -0.000) 16.730 16.152 ( 13.471 2.758 -0.000) 13.751 16.468 ( -25.405 -2.917 0.000) 25.572 16.577 ( 4.407 -5.595 -0.000) 7.123 16.962 ( 0.568 -7.573 -0.000) 7.594 16.992 ( -3.959 9.119 0.000) 9.941 17.244 ( -2.402 7.619 0.000) 7.989 17.347 ( -10.497 -1.922 0.000) 10.672 17.505 ( 0.584 -14.024 -0.000) 14.036 17.698 ( 17.871 4.437 -0.000) 18.413 17.877 ( 17.938 -4.340 -0.000) 18.456 18.066 ( -3.442 7.178 0.000) 7.961 18.186 ( 17.344 0.740 -0.000) 17.360 18.486 ( 7.170 -6.959 -0.000) 9.992 18.592 ( -6.464 9.377 0.000) 11.389 18.726 ( -18.848 3.785 0.000) 19.224 18.853 ( 5.458 -0.591 -0.000) 5.490 19.039 ( -4.858 -1.772 -0.000) 5.171 19.166 ( -12.278 0.359 0.000) 12.283 19.757 ( -12.401 -14.060 -0.000) 18.748 19.800 ( 10.138 18.500 0.000) 21.095 19.943 ( -15.760 0.557 0.000) 15.770 19.945 ( -14.987 -1.674 0.000) 15.081 20.249 ( -4.299 4.353 0.000) 6.118 20.311 ( 0.309 -1.893 -0.000) 1.918 20.628 ( -1.466 -9.064 -0.000) 9.182 20.740 ( -0.737 -6.356 -0.000) 6.398 21.045 ( -10.271 21.159 0.000) 23.520 21.199 ( 8.706 -3.133 -0.000) 9.252 21.638 ( 4.675 2.834 0.000) 5.467 21.688 ( -1.531 4.393 0.000) 4.652 21.765 ( 3.694 -4.473 -0.000) 5.802 21.992 ( 0.776 1.017 0.000) 1.279 22.332 ( 2.382 2.385 0.000) 3.371 22.444 ( 8.690 -0.701 -0.000) 8.718 22.644 ( 12.958 0.190 -0.000) 12.959 22.965 ( -4.195 2.376 0.000) 4.821 23.158 ( 0.565 -2.961 -0.000) 3.015 23.205 ( -4.236 0.983 0.000) 4.348 23.261 ( 0.510 -4.826 -0.000) 4.853 23.328 ( -18.762 0.733 0.000) 18.777 23.667 ( 0.897 -1.413 -0.000) 1.673 23.913 ( -0.493 0.394 0.000) 0.631 23.914 ( 3.991 -2.757 -0.000) 4.851 24.177 ( -3.504 -1.623 -0.000) 3.861 24.349 ( -2.166 -7.696 -0.000) 7.995 24.393 ( -2.058 4.649 0.000) 5.084 24.563 ( 2.929 0.066 -0.000) 2.929 24.620 ( 3.127 -0.393 -0.000) 3.151 24.835 ( -8.540 -10.163 -0.000) 13.274 24.847 ( 1.131 4.983 0.000) 5.110 25.280 ( 1.714 5.695 0.000) 5.948 26.803 ( -0.240 -0.363 -0.000) 0.435 26.900 ( 0.569 1.399 0.000) 1.511 26.976 ( -0.457 -1.893 -0.000) 1.947 26.985 ( 1.765 -1.661 -0.000) 2.424 27.480 ( -6.112 -3.896 -0.000) 7.248 27.579 ( 5.536 2.167 0.000) 5.945 27.925 ( 4.327 2.488 0.000) 4.991 28.218 ( -8.979 2.328 0.000) 9.276 28.378 ( -1.048 -1.934 -0.000) 2.200 28.610 ( -5.120 2.405 0.000) 5.657 29.278 ( 3.105 -6.031 -0.000) 6.784 29.625 ( 5.329 4.304 0.000) 6.850 29.902 ( 1.588 -3.457 -0.000) 3.805 29.962 ( -1.937 0.300 0.000) 1.960 30.233 ( 2.241 -0.271 -0.000) 2.257 30.362 ( 1.589 2.437 0.000) 2.909 30.622 ( 8.963 1.289 -0.000) 9.055 30.821 ( -6.436 -0.136 0.000) 6.438 ======================= Grid point 44 (43/96) ======================= q-point: (-0.29 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -20.696 0.710 1.953) 20.800 4.164 ( -3.383 0.310 -8.171) 8.849 4.319 ( 7.752 0.247 -1.558) 7.911 4.893 ( -3.201 -5.035 -27.838) 28.470 5.193 ( -2.831 -4.902 -15.977) 16.950 5.691 ( -18.193 5.799 -11.047) 22.060 6.434 ( -4.787 -19.348 -40.204) 44.874 6.519 ( -1.533 -1.963 -9.663) 9.979 6.866 ( -19.897 -10.964 -26.104) 34.605 7.442 ( -4.747 -5.273 -14.793) 16.407 8.582 ( -9.403 24.140 30.670) 40.148 8.806 ( -7.945 16.134 19.181) 26.293 9.433 ( -17.968 -2.229 -30.211) 35.221 9.760 ( -0.761 -1.555 1.751) 2.463 10.170 ( 3.916 -2.227 3.862) 5.934 10.410 ( 0.089 -17.838 24.397) 30.223 10.870 ( -15.148 -26.068 6.067) 30.754 11.761 ( 6.256 15.860 10.043) 19.787 12.220 ( 15.818 -3.819 3.174) 16.579 12.637 ( -5.692 5.675 21.324) 22.789 12.814 ( -3.272 2.258 -14.193) 14.739 13.067 ( -11.861 17.368 3.586) 21.335 13.176 ( -11.840 6.563 5.584) 14.644 13.726 ( -0.303 21.915 6.927) 22.986 15.021 ( -5.592 -6.703 -1.839) 8.921 15.386 ( 0.236 -5.976 -5.856) 8.370 15.519 ( 12.639 -1.105 -6.732) 14.363 16.246 ( 7.037 5.459 0.320) 8.912 16.604 ( 7.564 6.979 2.087) 10.501 16.726 ( -2.486 4.469 -0.925) 5.197 16.893 ( 8.110 -4.906 -1.208) 9.555 17.082 ( -6.242 1.636 0.164) 6.454 17.144 ( -2.540 -9.673 -0.905) 10.042 17.261 ( 10.850 -8.431 -2.258) 13.925 17.468 ( 2.975 -5.428 -4.598) 7.710 17.788 ( 14.490 2.457 -4.078) 15.252 17.918 ( 3.455 -1.350 -4.265) 5.652 18.089 ( -6.359 3.150 6.160) 9.397 18.197 ( -10.435 4.654 1.365) 11.507 18.355 ( -0.357 -7.581 -1.123) 7.672 18.468 ( -3.424 -1.698 6.651) 7.671 18.754 ( 0.821 -2.965 7.194) 7.824 18.857 ( 7.980 -6.637 -2.861) 10.766 19.050 ( -16.866 -2.921 -10.674) 20.173 19.284 ( -0.996 -5.806 8.538) 10.373 19.338 ( -14.199 2.196 5.204) 15.281 19.560 ( -13.199 -0.028 12.625) 18.265 19.698 ( -5.718 -8.056 -9.836) 13.941 20.348 ( 1.283 4.921 -13.476) 14.403 20.421 ( 14.011 -2.501 5.045) 15.100 20.864 ( 5.515 -3.034 2.379) 6.730 21.020 ( 0.602 -0.977 7.727) 7.812 21.213 ( -0.481 0.392 -6.349) 6.379 21.376 ( 6.455 8.203 1.923) 10.614 21.476 ( 1.762 19.945 4.966) 20.629 21.681 ( 4.960 -1.557 4.652) 6.976 21.764 ( 5.983 0.597 3.860) 7.144 21.974 ( -0.761 2.610 -2.143) 3.461 21.989 ( 9.153 -1.774 5.105) 10.630 22.173 ( 2.540 3.996 1.565) 4.986 22.309 ( 7.722 -1.457 3.663) 8.670 22.419 ( 2.035 0.668 8.141) 8.419 22.834 ( -4.975 5.061 1.906) 7.349 23.078 ( -0.337 -2.222 -2.239) 3.172 23.175 ( 4.748 0.225 -7.535) 8.909 23.508 ( 1.472 -3.017 -1.272) 3.589 23.618 ( 0.604 -3.786 -7.844) 8.731 23.826 ( 0.193 -1.985 5.962) 6.287 23.915 ( 0.215 -2.896 -0.180) 2.910 24.088 ( -8.413 -2.758 -4.294) 9.840 24.115 ( -1.533 -0.120 0.096) 1.540 24.278 ( 0.623 2.511 -1.628) 3.057 24.291 ( 2.924 0.422 -14.712) 15.006 24.409 ( -0.280 0.063 11.844) 11.848 24.635 ( -4.746 -2.541 -4.251) 6.860 25.031 ( 6.130 1.105 1.207) 6.344 25.243 ( 4.572 -4.461 8.804) 10.877 25.669 ( 1.407 5.194 -13.931) 14.934 26.662 ( -2.828 -1.247 -1.567) 3.465 26.820 ( -3.806 3.515 -0.596) 5.215 26.962 ( 0.116 -3.450 -3.360) 4.817 27.168 ( 1.912 1.919 3.841) 4.700 27.300 ( 2.939 -2.019 4.220) 5.525 27.520 ( 5.166 3.892 -6.696) 9.310 28.101 ( 6.438 -1.167 -7.050) 9.618 28.332 ( 7.518 0.821 7.378) 10.566 28.574 ( -1.140 -1.882 -2.301) 3.184 28.735 ( -3.877 2.307 3.046) 5.444 29.177 ( -3.616 -2.922 -0.288) 4.658 29.494 ( -5.044 2.402 0.724) 5.633 29.665 ( -4.179 -4.764 2.473) 6.802 30.004 ( 2.108 1.860 -1.550) 3.211 30.156 ( -4.268 1.801 -0.809) 4.703 30.297 ( 0.583 1.288 -2.011) 2.458 30.399 ( -2.463 -1.453 -1.378) 3.175 30.810 ( 0.242 0.003 2.049) 2.063 ======================= Grid point 45 (44/96) ======================= q-point: (-0.49 0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 27.151 4.428 7.771) 28.586 4.075 ( -13.300 -1.639 0.064) 13.401 4.248 ( 5.270 -3.907 1.725) 6.783 4.697 ( 5.338 -10.397 -15.189) 19.165 5.558 ( 19.873 -26.205 -16.400) 36.750 5.888 ( 24.054 2.274 -6.053) 24.908 6.366 ( 15.582 -6.375 -12.997) 21.269 6.585 ( 5.849 -14.119 -6.109) 16.458 6.882 ( 4.157 -5.170 -10.768) 12.648 7.762 ( 19.172 -19.358 -17.684) 32.481 8.685 ( 35.293 13.145 7.975) 38.496 8.988 ( 0.546 4.733 14.871) 15.616 9.408 ( 18.156 -3.067 -20.239) 27.362 9.936 ( -9.571 -2.683 -2.864) 10.344 10.213 ( 14.355 1.835 14.095) 20.201 11.005 ( -13.007 10.563 -6.735) 18.059 11.503 ( -7.599 -6.759 1.683) 10.309 11.569 ( -6.371 -14.846 1.926) 16.270 11.924 ( -6.450 -3.549 3.478) 8.142 12.579 ( -7.363 19.565 -1.940) 20.994 12.995 ( -6.448 10.741 6.386) 14.061 13.039 ( 27.963 11.090 8.977) 31.393 13.265 ( -4.220 3.276 22.164) 22.799 13.819 ( 22.603 6.655 17.398) 29.290 15.047 ( -0.847 -3.263 -0.082) 3.373 15.445 ( 5.757 -4.662 -0.173) 7.410 15.915 ( -8.418 -7.929 -0.375) 11.570 16.034 ( 12.687 -6.259 -5.146) 15.054 16.297 ( -7.968 16.156 7.888) 19.666 16.726 ( 8.742 4.855 0.809) 10.032 16.779 ( -4.399 1.120 -0.076) 4.540 17.062 ( -6.578 -1.892 -4.993) 8.472 17.171 ( -4.492 -1.809 -5.354) 7.219 17.301 ( 5.119 -5.105 1.059) 7.307 17.349 ( -3.271 -0.852 3.723) 5.028 17.723 ( -0.853 -7.890 -4.429) 9.088 17.767 ( -5.155 -3.524 -1.409) 6.402 18.086 ( -3.441 7.761 9.312) 12.601 18.283 ( 6.212 13.206 -4.442) 15.255 18.505 ( 6.746 -11.832 -2.564) 13.859 18.606 ( 7.153 2.110 4.056) 8.489 18.698 ( -7.102 2.634 -4.030) 8.580 18.975 ( 3.085 1.162 0.680) 3.366 19.080 ( 7.326 -8.102 -19.846) 22.653 19.418 ( -2.688 -0.031 4.155) 4.948 19.666 ( -9.942 -6.390 -0.273) 11.821 19.877 ( 14.174 6.714 1.170) 15.727 19.940 ( -12.793 -3.203 -5.774) 14.397 20.133 ( 2.179 2.816 8.649) 9.353 20.436 ( 3.608 -6.276 5.374) 9.015 20.591 ( -23.581 2.311 -3.843) 24.004 20.750 ( -5.187 10.948 -0.693) 12.134 21.020 ( -4.349 -3.101 1.112) 5.456 21.223 ( 0.549 3.251 2.645) 4.227 21.366 ( -8.456 7.110 1.942) 11.218 21.539 ( -1.985 2.323 -7.849) 8.423 21.626 ( -2.219 -4.976 -8.726) 10.287 21.775 ( -4.808 -1.498 -2.626) 5.679 21.967 ( 1.538 -5.674 2.728) 6.481 22.062 ( 1.371 9.470 3.654) 10.242 22.147 ( -5.686 4.298 -2.670) 7.611 22.291 ( 4.269 4.134 3.465) 6.879 22.933 ( 4.112 0.854 2.324) 4.800 23.101 ( -0.888 -0.574 0.904) 1.392 23.238 ( 0.685 -2.015 3.727) 4.292 23.451 ( -5.690 -3.561 1.501) 6.878 23.629 ( 1.218 -3.878 -6.284) 7.484 23.746 ( -9.023 -1.492 -4.168) 10.050 23.908 ( -1.321 1.806 1.297) 2.586 24.176 ( 4.612 -1.572 -5.471) 7.326 24.202 ( 2.759 -1.131 5.523) 6.277 24.225 ( 4.904 -2.904 0.573) 5.728 24.396 ( -5.115 1.532 6.714) 8.578 24.518 ( 2.280 0.195 1.473) 2.722 24.666 ( -0.347 -4.515 -5.617) 7.214 24.920 ( -3.201 2.039 1.051) 3.938 25.236 ( -5.609 0.671 -2.881) 6.342 25.387 ( -4.997 -3.396 -3.813) 7.144 26.784 ( 3.524 -0.338 1.916) 4.025 26.876 ( 3.219 -0.504 -1.185) 3.467 26.926 ( 0.404 -2.337 -1.606) 2.864 27.179 ( -4.422 0.440 -2.040) 4.890 27.263 ( -0.614 5.713 6.189) 8.445 27.387 ( -4.156 -3.284 7.348) 9.058 27.900 ( -4.324 -3.927 -3.988) 7.073 28.267 ( -8.219 3.484 5.992) 10.752 28.560 ( -0.833 -3.158 -3.954) 5.128 28.705 ( -1.756 4.157 -1.485) 4.751 29.361 ( 7.114 -5.122 -1.419) 8.880 29.517 ( 5.318 3.785 -2.999) 7.183 29.891 ( 1.011 -1.077 1.266) 1.945 29.937 ( 4.278 -0.005 -0.456) 4.302 30.199 ( 2.456 0.553 -0.533) 2.573 30.264 ( 0.656 -0.459 0.865) 1.179 30.455 ( 4.916 0.642 -1.469) 5.171 30.834 ( -2.091 0.398 2.805) 3.521 ======================= Grid point 46 (45/96) ======================= q-point: ( 0.51 -0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -27.172 -7.770 -3.634) 28.494 4.128 ( 8.385 3.917 0.581) 9.273 4.337 ( -0.242 -0.128 -1.050) 1.085 4.954 ( -3.780 21.433 -10.405) 24.123 5.703 ( -19.506 24.430 13.811) 34.177 5.841 ( -9.988 5.857 3.483) 12.091 6.287 ( -14.914 7.833 7.149) 18.300 6.791 ( -5.626 17.418 10.082) 20.897 6.873 ( -9.882 8.896 1.842) 13.423 7.492 ( -15.183 -3.646 16.541) 22.747 8.967 ( -14.900 -9.291 0.823) 17.579 9.013 ( -52.855 34.372 8.792) 63.659 9.352 ( 6.132 -9.748 -18.919) 22.149 9.950 ( 20.333 2.232 0.740) 20.469 10.411 ( -10.317 -15.526 -6.546) 19.758 10.783 ( 13.206 0.434 -15.509) 20.374 11.310 ( 8.443 -15.345 8.352) 19.404 11.632 ( -7.918 4.088 8.848) 12.558 11.889 ( -2.427 -14.924 -3.328) 15.482 12.462 ( 8.184 22.764 2.979) 24.373 12.844 ( -10.653 -14.057 -0.388) 17.641 13.357 ( -16.713 12.955 -4.993) 21.728 13.810 ( 6.310 0.780 -24.935) 25.733 14.049 ( -12.260 -3.725 -12.565) 17.946 15.226 ( 10.422 9.971 -2.460) 14.632 15.453 ( 10.652 3.330 6.559) 12.945 15.771 ( -1.468 -6.593 -2.367) 7.157 16.081 ( 1.238 -12.744 -3.939) 13.396 16.250 ( -7.208 -2.456 -4.855) 9.031 16.599 ( -0.477 -5.367 1.312) 5.546 16.766 ( -3.148 6.323 5.099) 8.712 17.118 ( 10.304 4.136 5.644) 12.455 17.197 ( -0.464 -1.872 -5.227) 5.571 17.299 ( -0.018 -0.758 -2.898) 2.995 17.378 ( 0.391 -3.475 -2.248) 4.157 17.675 ( 3.840 -1.105 -3.187) 5.111 17.754 ( -9.083 -0.754 4.918) 10.356 17.892 ( -2.344 -9.225 9.680) 13.576 18.055 ( -3.804 -5.932 6.129) 9.339 18.498 ( -6.339 -1.435 2.968) 7.145 18.607 ( 4.005 -4.171 -0.712) 5.827 18.733 ( -6.026 -0.374 -1.216) 6.159 18.906 ( -19.063 4.087 8.440) 21.245 19.050 ( 11.025 5.946 -8.724) 15.265 19.334 ( 5.125 -0.983 5.289) 7.430 19.436 ( 11.242 -15.871 4.365) 19.933 19.739 ( 4.075 -10.875 -3.760) 12.207 20.010 ( 14.818 8.002 9.451) 19.311 20.122 ( -6.565 -9.841 -1.249) 11.895 20.489 ( 8.863 1.681 1.184) 9.098 20.641 ( 7.718 6.525 6.684) 12.116 20.760 ( 14.466 3.494 -0.792) 14.903 21.071 ( 3.089 3.503 -1.253) 4.836 21.116 ( 7.170 -1.572 5.520) 9.184 21.251 ( -7.638 -6.138 -3.824) 10.519 21.407 ( 1.598 11.037 1.827) 11.301 21.612 ( -8.131 1.317 -0.451) 8.250 21.873 ( 0.024 4.193 -0.266) 4.201 21.898 ( -7.528 -7.794 -4.457) 11.717 22.084 ( -7.232 6.667 2.177) 10.075 22.204 ( -1.920 -0.326 -2.077) 2.847 22.283 ( -7.486 -2.729 -2.371) 8.313 22.934 ( -4.822 -1.818 0.945) 5.239 23.171 ( 2.700 0.612 -4.032) 4.890 23.340 ( 4.751 2.229 -3.652) 6.393 23.500 ( 3.337 2.441 2.816) 5.002 23.559 ( 0.906 -1.398 0.291) 1.691 23.754 ( -1.507 0.048 -0.158) 1.516 23.857 ( 4.919 -0.744 1.047) 5.084 24.064 ( -0.804 2.681 9.690) 10.086 24.210 ( -3.234 -5.864 -4.229) 7.921 24.345 ( 3.479 -0.422 -1.240) 3.717 24.454 ( 6.036 -1.701 4.271) 7.587 24.493 ( 6.542 -3.441 -8.642) 11.372 24.804 ( 1.364 8.423 -4.891) 9.835 24.875 ( 4.274 0.435 5.725) 7.158 25.044 ( -0.476 -2.796 3.656) 4.627 25.587 ( 15.213 12.052 -1.474) 19.464 26.797 ( -1.836 -2.889 -2.974) 4.535 26.892 ( 1.213 3.121 1.581) 3.703 26.976 ( -2.174 1.878 -1.298) 3.153 27.097 ( 2.146 -0.700 3.595) 4.245 27.291 ( -2.393 -3.663 -4.199) 6.064 27.666 ( 3.153 5.253 -10.240) 11.933 27.933 ( 1.842 4.766 1.968) 5.475 28.296 ( 9.234 -2.961 -3.192) 10.209 28.521 ( 0.254 2.219 4.435) 4.966 28.586 ( 3.422 -4.070 2.090) 5.713 29.319 ( -4.734 -5.857 1.464) 7.672 29.473 ( -8.210 6.106 3.213) 10.724 29.810 ( -5.479 -4.977 0.360) 7.411 29.976 ( 0.937 -0.275 0.197) 0.996 30.244 ( -3.886 4.467 -1.321) 6.066 30.311 ( 0.644 1.778 -0.787) 2.049 30.400 ( -4.896 -1.492 1.359) 5.296 30.877 ( 1.280 -0.665 -1.970) 2.442 ======================= Grid point 49 (46/96) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.000 31.134 0.000) 31.134 1.461 ( -0.000 74.258 0.000) 74.258 1.922 ( -0.000 54.995 0.000) 54.995 2.370 ( -0.000 120.370 0.000) 120.370 4.318 ( -0.000 0.761 0.000) 0.761 4.422 ( -0.000 1.033 0.000) 1.033 6.007 ( 0.000 -1.347 -0.000) 1.347 6.021 ( -0.000 7.651 0.000) 7.651 6.206 ( 0.000 -1.088 -0.000) 1.088 6.678 ( -0.000 3.918 0.000) 3.918 7.412 ( 0.000 -6.325 -0.000) 6.325 9.522 ( 0.000 -5.147 -0.000) 5.147 9.959 ( -0.000 11.449 0.000) 11.449 10.243 ( -0.000 0.111 0.000) 0.111 10.583 ( -0.000 10.131 0.000) 10.131 10.614 ( 0.000 -9.689 -0.000) 9.689 12.164 ( -0.000 0.340 0.000) 0.340 12.166 ( -0.000 5.523 0.000) 5.523 12.333 ( 0.000 -19.040 -0.000) 19.040 12.947 ( 0.000 -21.019 -0.000) 21.019 13.075 ( 0.000 -2.741 -0.000) 2.741 13.457 ( 0.000 -45.640 -0.000) 45.640 14.366 ( 0.000 -18.382 -0.000) 18.382 14.592 ( -0.000 0.098 0.000) 0.098 15.180 ( -0.000 19.489 0.000) 19.489 15.384 ( -0.000 7.203 0.000) 7.203 15.717 ( -0.000 8.386 0.000) 8.386 16.060 ( -0.000 0.542 0.000) 0.542 16.194 ( -0.000 5.910 0.000) 5.910 16.300 ( -0.000 4.881 0.000) 4.881 16.614 ( -0.000 1.862 0.000) 1.862 16.699 ( 0.000 -1.026 -0.000) 1.026 17.088 ( -0.000 10.831 0.000) 10.831 17.181 ( -0.000 3.616 0.000) 3.616 17.304 ( -0.000 24.240 0.000) 24.240 17.540 ( 0.000 -21.565 -0.000) 21.565 17.803 ( 0.000 -4.807 -0.000) 4.807 17.868 ( -0.000 10.860 0.000) 10.860 18.120 ( 0.000 -4.332 -0.000) 4.332 18.135 ( -0.000 1.776 0.000) 1.776 18.141 ( 0.000 -8.449 -0.000) 8.449 18.551 ( -0.000 9.215 0.000) 9.215 18.615 ( 0.000 -10.688 -0.000) 10.688 19.304 ( 0.000 -3.217 -0.000) 3.217 19.528 ( -0.000 9.219 0.000) 9.219 19.800 ( -0.000 0.722 0.000) 0.722 20.279 ( 0.000 -4.652 -0.000) 4.652 20.310 ( -0.000 2.538 0.000) 2.538 20.671 ( 0.000 -5.130 -0.000) 5.130 20.786 ( -0.000 3.925 0.000) 3.925 20.871 ( 0.000 -0.338 -0.000) 0.338 20.901 ( 0.000 -1.456 -0.000) 1.456 21.029 ( 0.000 -2.001 -0.000) 2.001 21.186 ( -0.000 1.056 0.000) 1.056 21.459 ( 0.000 -4.294 -0.000) 4.294 21.486 ( 0.000 -2.805 -0.000) 2.805 21.774 ( -0.000 5.023 0.000) 5.023 21.778 ( 0.000 -2.174 -0.000) 2.174 21.932 ( 0.000 -1.507 -0.000) 1.507 22.049 ( 0.000 -16.900 -0.000) 16.900 22.066 ( 0.000 -12.247 -0.000) 12.247 22.512 ( 0.000 -11.974 -0.000) 11.974 22.570 ( 0.000 -2.914 -0.000) 2.914 22.943 ( -0.000 9.185 0.000) 9.185 23.369 ( -0.000 6.102 0.000) 6.102 23.426 ( -0.000 1.450 0.000) 1.450 23.715 ( -0.000 2.945 0.000) 2.945 23.804 ( 0.000 -9.222 -0.000) 9.222 23.817 ( 0.000 -0.741 -0.000) 0.741 24.107 ( -0.000 3.877 0.000) 3.877 24.109 ( -0.000 3.143 0.000) 3.143 24.186 ( -0.000 2.566 0.000) 2.566 24.210 ( -0.000 19.804 0.000) 19.804 24.443 ( -0.000 1.569 0.000) 1.569 24.906 ( 0.000 -3.528 -0.000) 3.528 25.120 ( 0.000 -4.468 -0.000) 4.468 25.462 ( 0.000 -5.957 -0.000) 5.957 25.836 ( -0.000 12.160 0.000) 12.160 26.471 ( -0.000 1.854 0.000) 1.854 26.788 ( 0.000 -0.214 -0.000) 0.214 26.905 ( -0.000 4.764 0.000) 4.764 27.123 ( 0.000 -0.398 -0.000) 0.398 27.370 ( 0.000 -5.885 -0.000) 5.885 27.550 ( -0.000 4.133 0.000) 4.133 27.866 ( -0.000 3.271 0.000) 3.271 28.315 ( -0.000 0.766 0.000) 0.766 28.712 ( 0.000 -2.505 -0.000) 2.505 28.909 ( 0.000 -3.215 -0.000) 3.215 29.073 ( -0.000 2.072 0.000) 2.072 29.360 ( 0.000 -2.362 -0.000) 2.362 29.740 ( -0.000 6.754 0.000) 6.754 29.825 ( 0.000 -4.323 -0.000) 4.323 30.161 ( -0.000 2.269 0.000) 2.269 30.172 ( 0.000 -2.130 -0.000) 2.130 30.231 ( -0.000 2.210 0.000) 2.210 30.993 ( 0.000 -1.011 -0.000) 1.011 ======================= Grid point 50 (47/96) ======================= q-point: ( 0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 0.000 2.937 -0.000) 2.937 3.487 ( -0.000 -3.256 0.000) 3.256 4.503 ( 0.000 0.123 -0.000) 0.123 4.524 ( -0.000 -0.847 0.000) 0.847 6.039 ( -0.000 8.321 0.000) 8.321 6.223 ( -0.000 4.570 -0.000) 4.570 6.734 ( 0.000 -2.237 -0.000) 2.237 6.939 ( -0.000 -9.062 -0.000) 9.062 7.745 ( -0.000 15.771 -0.000) 15.771 8.433 ( -0.000 -4.269 -0.000) 4.269 8.564 ( -0.000 11.131 0.000) 11.131 9.416 ( -0.000 -6.702 -0.000) 6.702 9.567 ( -0.000 -1.748 -0.000) 1.748 9.966 ( -0.000 -14.521 -0.000) 14.521 10.390 ( 0.000 9.855 -0.000) 9.855 10.785 ( -0.000 11.276 -0.000) 11.276 11.512 ( -0.000 -12.672 0.000) 12.672 11.538 ( -0.000 25.192 -0.000) 25.192 11.742 ( -0.000 -2.733 0.000) 2.733 12.619 ( -0.000 -34.886 -0.000) 34.886 12.928 ( -0.000 -17.619 -0.000) 17.619 13.337 ( -0.000 -4.401 -0.000) 4.401 13.856 ( -0.000 14.948 -0.000) 14.948 14.221 ( -0.000 -7.665 0.000) 7.665 15.441 ( 0.000 -3.702 -0.000) 3.702 15.468 ( -0.000 5.316 -0.000) 5.316 15.735 ( -0.000 17.116 0.000) 17.116 15.753 ( 0.000 9.634 -0.000) 9.634 16.398 ( 0.000 5.007 0.000) 5.007 16.488 ( -0.000 -13.383 -0.000) 13.383 16.822 ( -0.000 -2.403 0.000) 2.403 17.097 ( 0.000 7.930 -0.000) 7.930 17.252 ( -0.000 -2.296 -0.000) 2.296 17.356 ( -0.000 12.939 0.000) 12.939 17.405 ( 0.000 -15.212 -0.000) 15.212 17.527 ( -0.000 8.777 0.000) 8.777 17.667 ( -0.000 -0.308 -0.000) 0.308 17.938 ( 0.000 -5.590 -0.000) 5.590 17.973 ( -0.000 4.494 -0.000) 4.494 18.135 ( 0.000 10.375 0.000) 10.375 18.246 ( -0.000 2.136 -0.000) 2.136 18.737 ( -0.000 -10.889 -0.000) 10.889 19.001 ( -0.000 0.007 -0.000) 0.007 19.409 ( -0.000 -0.956 -0.000) 0.956 19.582 ( -0.000 -11.091 0.000) 11.091 19.687 ( -0.000 9.039 -0.000) 9.039 19.915 ( -0.000 -10.601 -0.000) 10.601 20.135 ( 0.000 0.589 0.000) 0.589 20.180 ( -0.000 0.557 0.000) 0.557 20.256 ( -0.000 16.235 -0.000) 16.235 20.384 ( -0.000 -2.165 -0.000) 2.165 20.566 ( -0.000 2.382 -0.000) 2.382 20.744 ( 0.000 -3.069 -0.000) 3.069 20.977 ( -0.000 6.301 -0.000) 6.301 21.382 ( -0.000 -2.887 -0.000) 2.887 21.396 ( -0.000 -5.362 0.000) 5.362 21.556 ( -0.000 1.797 0.000) 1.797 21.765 ( -0.000 3.636 -0.000) 3.636 22.003 ( -0.000 5.227 -0.000) 5.227 22.175 ( -0.000 -24.091 0.000) 24.091 22.455 ( -0.000 -9.145 -0.000) 9.145 22.525 ( -0.000 -6.398 -0.000) 6.398 22.929 ( -0.000 2.188 -0.000) 2.188 23.005 ( -0.000 5.216 -0.000) 5.216 23.055 ( -0.000 -0.797 -0.000) 0.797 23.278 ( 0.000 -3.337 -0.000) 3.337 23.318 ( -0.000 16.240 0.000) 16.240 23.492 ( -0.000 4.497 -0.000) 4.497 23.928 ( -0.000 3.092 -0.000) 3.092 24.121 ( -0.000 -4.737 -0.000) 4.737 24.336 ( -0.000 -0.489 0.000) 0.489 24.343 ( 0.000 6.497 -0.000) 6.497 24.386 ( -0.000 -1.197 -0.000) 1.197 24.619 ( -0.000 -1.568 -0.000) 1.568 24.781 ( -0.000 1.428 -0.000) 1.428 24.916 ( -0.000 -2.058 -0.000) 2.058 25.127 ( -0.000 2.117 -0.000) 2.117 25.395 ( -0.000 -4.243 -0.000) 4.243 26.639 ( -0.000 4.443 -0.000) 4.443 27.010 ( -0.000 -3.653 -0.000) 3.653 27.055 ( -0.000 0.469 -0.000) 0.469 27.082 ( -0.000 -0.563 -0.000) 0.563 27.182 ( -0.000 0.194 -0.000) 0.194 27.219 ( -0.000 -2.085 0.000) 2.085 27.776 ( -0.000 3.153 -0.000) 3.153 28.012 ( -0.000 -3.003 -0.000) 3.003 28.501 ( -0.000 2.824 -0.000) 2.824 28.777 ( -0.000 -5.223 -0.000) 5.223 29.371 ( -0.000 7.820 0.000) 7.820 29.846 ( -0.000 -5.401 -0.000) 5.401 29.913 ( -0.000 2.001 -0.000) 2.001 29.968 ( -0.000 1.318 -0.000) 1.318 30.274 ( -0.000 -0.617 0.000) 0.617 30.308 ( -0.000 -1.478 -0.000) 1.478 30.562 ( -0.000 2.558 -0.000) 2.558 30.770 ( -0.000 -2.356 0.000) 2.356 ======================= Grid point 52 (48/96) ======================= q-point: (-0.10 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -28.726 0.000 8.653) 30.001 3.590 ( -24.721 0.000 -51.887) 57.475 3.992 ( -24.951 0.000 -62.591) 67.381 4.310 ( 7.492 -0.000 -0.874) 7.543 4.416 ( -2.999 0.000 -9.267) 9.740 5.463 ( -57.093 0.000 -49.166) 75.345 5.581 ( -6.435 0.000 -15.443) 16.730 6.150 ( -4.925 0.000 -14.674) 15.479 6.235 ( -16.958 0.000 -10.128) 19.752 6.926 ( 0.199 0.000 -18.126) 18.127 8.598 ( -0.537 0.000 -17.492) 17.500 9.126 ( 7.026 -0.000 4.707) 8.458 9.891 ( -19.813 0.000 33.033) 38.519 10.090 ( 6.100 -0.000 -2.823) 6.722 10.291 ( 9.048 -0.000 7.270) 11.607 10.607 ( -15.806 0.000 4.760) 16.507 10.621 ( 3.886 -0.000 31.749) 31.986 11.995 ( 21.025 -0.000 -9.201) 22.950 12.132 ( 26.095 -0.000 2.800) 26.245 13.008 ( -20.152 0.000 17.679) 26.808 13.310 ( -1.508 -0.000 31.203) 31.239 13.326 ( -11.409 0.000 0.783) 11.436 13.533 ( -13.127 0.000 19.283) 23.326 14.133 ( 5.496 -0.000 11.762) 12.983 14.988 ( -6.952 0.000 6.145) 9.279 15.184 ( 1.472 0.000 -10.621) 10.722 15.377 ( 13.042 -0.000 -1.228) 13.099 16.222 ( 6.237 -0.000 -6.784) 9.215 16.579 ( -5.233 0.000 -4.696) 7.031 16.625 ( -0.999 0.000 -11.193) 11.238 16.826 ( 3.271 -0.000 -3.458) 4.760 17.026 ( 3.625 -0.000 -3.640) 5.137 17.050 ( -1.670 0.000 2.993) 3.428 17.299 ( -4.649 0.000 6.237) 7.779 17.344 ( 2.994 -0.000 -1.092) 3.187 17.503 ( 11.171 -0.000 -19.759) 22.698 17.836 ( -3.378 0.000 -2.268) 4.069 18.129 ( -7.063 0.000 -7.328) 10.178 18.166 ( -15.934 0.000 -6.290) 17.130 18.300 ( 1.918 -0.000 6.101) 6.396 18.364 ( -3.170 0.000 -5.979) 6.767 18.758 ( 0.484 -0.000 0.475) 0.678 18.998 ( 8.046 -0.000 9.437) 12.402 19.049 ( -0.564 0.000 -2.083) 2.158 19.199 ( -11.620 0.000 -4.510) 12.465 19.607 ( -11.152 0.000 13.516) 17.522 19.640 ( 6.145 -0.000 19.316) 20.270 19.922 ( -8.693 0.000 18.962) 20.860 20.143 ( -1.681 0.000 -8.389) 8.556 20.463 ( 5.795 -0.000 1.302) 5.940 20.851 ( 8.022 -0.000 1.424) 8.147 21.057 ( -0.182 0.000 -7.163) 7.165 21.210 ( 3.675 -0.000 8.520) 9.279 21.501 ( -3.821 0.000 -6.316) 7.382 21.570 ( 17.532 -0.000 -1.824) 17.626 21.711 ( 5.880 -0.000 -4.362) 7.321 21.870 ( 0.569 0.000 -13.039) 13.052 21.904 ( 9.181 -0.000 -2.883) 9.623 22.024 ( 14.619 -0.000 7.909) 16.621 22.192 ( -1.141 0.000 -1.072) 1.565 22.385 ( 5.080 -0.000 2.647) 5.728 22.564 ( 1.593 -0.000 -3.149) 3.529 22.900 ( -6.625 0.000 -8.652) 10.897 23.076 ( 0.086 -0.000 4.273) 4.274 23.097 ( -1.206 -0.000 11.746) 11.808 23.309 ( 2.585 0.000 -12.191) 12.462 23.469 ( 3.587 -0.000 0.569) 3.632 23.880 ( -2.041 0.000 0.477) 2.096 23.888 ( 3.319 -0.000 -0.790) 3.412 24.044 ( -3.075 0.000 -7.955) 8.528 24.067 ( -2.830 0.000 -6.691) 7.265 24.117 ( -4.140 0.000 -1.578) 4.430 24.123 ( -11.307 0.000 7.984) 13.842 24.518 ( -3.607 0.000 -2.915) 4.637 24.816 ( 15.058 -0.000 16.400) 22.264 25.087 ( 4.798 -0.000 2.468) 5.396 25.330 ( 10.624 -0.000 4.739) 11.633 25.435 ( -4.325 0.000 -12.324) 13.061 26.617 ( -6.734 0.000 -1.438) 6.886 26.826 ( -2.619 0.000 -1.328) 2.936 26.910 ( 3.093 -0.000 0.681) 3.167 27.234 ( -0.625 0.000 -0.613) 0.876 27.367 ( 2.422 -0.000 4.403) 5.025 27.462 ( 2.334 -0.000 -1.213) 2.630 27.929 ( 6.037 -0.000 -7.102) 9.322 28.475 ( -1.271 0.000 -4.807) 4.972 28.528 ( 7.919 -0.000 8.318) 11.484 28.802 ( -2.654 0.000 1.336) 2.971 29.125 ( -2.751 0.000 -1.664) 3.215 29.511 ( -4.459 0.000 -1.581) 4.731 29.658 ( -3.507 0.000 1.987) 4.031 30.000 ( 0.258 -0.000 -0.539) 0.597 30.173 ( -4.280 0.000 0.920) 4.378 30.269 ( 0.092 0.000 -1.761) 1.764 30.317 ( -5.189 0.000 -3.818) 6.442 30.885 ( 1.228 -0.000 4.103) 4.283 ======================= Grid point 53 (49/96) ======================= q-point: (-0.10 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 15.079 -0.000 -17.029) 22.746 3.698 ( -15.719 0.000 1.057) 15.754 4.208 ( 15.608 -0.000 7.572) 17.347 4.491 ( 7.392 -0.000 0.708) 7.425 5.251 ( 40.541 -0.000 15.277) 43.324 6.200 ( 0.809 -0.000 1.190) 1.439 6.350 ( 9.682 -0.000 13.838) 16.889 6.494 ( 53.845 -0.000 9.479) 54.673 6.883 ( 7.837 -0.000 -7.473) 10.829 7.927 ( 34.599 -0.000 -9.517) 35.884 8.670 ( -13.609 0.000 3.397) 14.027 9.386 ( 50.448 -0.000 34.867) 61.324 9.642 ( -24.011 0.000 -2.859) 24.180 9.714 ( 23.010 -0.000 4.116) 23.375 10.106 ( -25.518 0.000 9.750) 27.317 11.016 ( -10.146 0.000 1.119) 10.208 11.178 ( -4.793 0.000 -3.528) 5.951 11.430 ( -0.941 0.000 -3.002) 3.146 11.822 ( 17.419 -0.000 -32.634) 36.992 13.268 ( -10.727 0.000 -7.564) 13.126 13.464 ( -21.759 0.000 -0.776) 21.772 13.734 ( 1.989 0.000 -8.424) 8.655 13.762 ( 1.261 -0.000 0.124) 1.267 13.982 ( 11.983 -0.000 0.287) 11.986 14.874 ( -3.469 -0.000 13.591) 14.027 15.540 ( -0.712 -0.000 17.808) 17.823 15.682 ( 9.590 -0.000 -11.707) 15.133 16.011 ( 11.571 -0.000 -13.823) 18.027 16.364 ( -24.328 0.000 -7.026) 25.322 16.610 ( 1.783 -0.000 9.195) 9.366 16.801 ( -1.938 0.000 0.280) 1.958 17.061 ( 2.046 0.000 -8.036) 8.292 17.208 ( -10.882 0.000 -4.715) 11.860 17.261 ( 5.763 -0.000 0.948) 5.840 17.515 ( -7.222 0.000 1.235) 7.327 17.714 ( 17.826 -0.000 -5.145) 18.553 17.723 ( 29.253 -0.000 -5.937) 29.849 17.982 ( -18.258 0.000 -6.948) 19.536 18.472 ( 2.486 -0.000 -2.499) 3.525 18.569 ( 18.473 -0.000 21.351) 28.233 18.730 ( -5.712 0.000 6.161) 8.402 18.743 ( 1.300 -0.000 8.017) 8.121 18.979 ( -37.455 0.000 1.906) 37.504 18.984 ( 9.353 -0.000 1.439) 9.463 19.230 ( -7.890 0.000 1.238) 7.987 19.467 ( -14.621 0.000 -10.891) 18.231 19.576 ( -2.660 0.000 -15.971) 16.191 20.046 ( 17.424 -0.000 -5.785) 18.359 20.111 ( -21.916 0.000 11.287) 24.651 20.335 ( -7.052 0.000 8.910) 11.363 20.360 ( 3.106 -0.000 -6.098) 6.843 20.442 ( -3.498 0.000 5.244) 6.304 20.751 ( -0.315 -0.000 7.608) 7.614 21.146 ( -8.398 0.000 -1.774) 8.584 21.451 ( -0.433 -0.000 12.094) 12.102 21.609 ( 4.353 -0.000 -2.070) 4.820 21.698 ( 1.365 0.000 -5.684) 5.846 21.780 ( 2.196 -0.000 0.184) 2.203 21.852 ( -0.021 0.000 -11.842) 11.842 22.341 ( 5.240 -0.000 1.812) 5.544 22.486 ( 3.216 -0.000 4.515) 5.543 22.646 ( 13.157 -0.000 -1.087) 13.202 22.991 ( -5.780 0.000 -0.233) 5.785 23.076 ( -0.489 0.000 -5.282) 5.305 23.155 ( -2.508 0.000 -5.456) 6.005 23.211 ( -1.191 0.000 1.139) 1.648 23.357 ( -19.696 0.000 2.590) 19.866 23.582 ( 2.993 -0.000 -5.336) 6.118 23.938 ( 3.462 -0.000 3.397) 4.851 24.076 ( 2.312 -0.000 11.737) 11.963 24.127 ( 0.719 -0.000 0.010) 0.719 24.274 ( -5.138 0.000 -0.786) 5.198 24.407 ( 4.552 -0.000 -2.091) 5.009 24.485 ( -3.326 0.000 -7.141) 7.878 24.614 ( 1.995 -0.000 2.627) 3.298 24.856 ( -3.031 -0.000 8.378) 8.909 24.924 ( 0.985 -0.000 1.929) 2.166 25.374 ( 0.812 -0.000 3.290) 3.389 26.779 ( -1.884 0.000 -2.297) 2.970 26.927 ( -0.001 0.000 -0.061) 0.061 26.929 ( 4.486 -0.000 0.570) 4.522 27.027 ( -1.646 -0.000 4.027) 4.350 27.347 ( -3.314 0.000 -5.956) 6.816 27.666 ( 2.209 -0.000 3.839) 4.430 27.748 ( 1.677 0.000 -15.464) 15.555 28.279 ( -8.013 0.000 -0.700) 8.044 28.383 ( -1.060 -0.000 2.576) 2.785 28.688 ( -2.926 0.000 5.001) 5.794 29.231 ( 2.269 -0.000 1.329) 2.630 29.711 ( 5.789 -0.000 3.387) 6.707 29.854 ( 2.688 -0.000 -0.322) 2.708 29.955 ( -2.163 0.000 -0.741) 2.286 30.239 ( 1.575 -0.000 0.658) 1.707 30.370 ( 1.213 -0.000 -1.764) 2.141 30.627 ( 8.215 -0.000 -0.784) 8.253 30.803 ( -5.747 0.000 -1.388) 5.912 ======================= Grid point 54 (50/96) ======================= q-point: (-0.31 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -24.865 -1.835 -0.027) 24.932 4.154 ( 11.466 2.094 -3.541) 12.182 4.298 ( -2.230 -0.317 -1.468) 2.689 5.015 ( 8.193 2.877 -6.636) 10.929 5.736 ( -11.029 -2.182 -9.604) 14.787 5.977 ( -7.960 0.925 0.692) 8.043 6.663 ( -1.215 5.048 -1.250) 5.341 7.085 ( -3.957 6.547 -4.000) 8.632 7.297 ( -4.432 2.624 5.805) 7.761 7.918 ( -10.780 0.475 -0.651) 10.810 8.583 ( -25.859 13.485 4.799) 29.556 8.813 ( -8.642 6.769 -9.159) 14.297 9.678 ( -28.399 -13.428 10.821) 33.225 9.947 ( -14.781 -17.288 6.148) 23.562 10.037 ( 9.694 0.580 -0.713) 9.737 10.524 ( 18.664 -3.101 -12.029) 22.420 11.242 ( -16.101 -19.381 -4.565) 25.607 11.585 ( -4.927 16.111 11.814) 20.577 12.201 ( -7.951 16.935 -7.542) 20.172 12.471 ( -13.799 -8.936 9.991) 19.238 12.911 ( 10.401 0.840 -17.021) 19.965 13.240 ( 2.960 16.623 -10.424) 19.843 13.606 ( -17.306 -3.054 -13.027) 21.875 13.815 ( -14.673 19.956 3.351) 24.996 15.220 ( -0.731 0.696 -6.608) 6.685 15.434 ( -1.610 -14.824 1.099) 14.951 15.565 ( -0.310 0.043 -8.016) 8.022 15.995 ( 7.127 2.706 5.482) 9.389 16.212 ( 8.090 -1.496 4.499) 9.377 16.629 ( 8.135 -0.808 4.808) 9.484 16.909 ( 0.102 1.255 -5.291) 5.439 17.102 ( 4.574 -5.868 2.261) 7.776 17.156 ( 3.965 -1.456 2.678) 5.001 17.277 ( -4.323 1.668 -3.194) 5.628 17.370 ( 2.500 0.994 4.289) 5.063 17.542 ( 8.250 -4.640 3.845) 10.217 17.683 ( 2.203 -9.006 -4.834) 10.456 18.077 ( 12.691 5.639 4.362) 14.556 18.225 ( -4.965 -3.321 12.056) 13.454 18.326 ( -7.200 -1.678 -1.563) 7.557 18.520 ( 3.923 -6.504 7.006) 10.333 18.710 ( 16.418 -6.836 -4.255) 18.287 18.877 ( -7.796 -6.564 4.214) 11.028 18.998 ( -21.937 2.266 -3.999) 22.413 19.432 ( -4.801 5.887 12.035) 14.233 19.584 ( 0.790 -5.607 3.936) 6.896 19.701 ( 7.693 -1.259 12.823) 15.007 19.881 ( -18.584 -4.408 -5.037) 19.753 20.114 ( 1.915 0.511 -14.657) 14.791 20.651 ( 15.328 3.775 7.980) 17.689 20.735 ( 1.200 3.811 -4.139) 5.752 20.831 ( -0.030 -0.895 -6.309) 6.372 21.107 ( 5.320 3.778 1.151) 6.626 21.131 ( 9.419 -3.859 5.885) 11.758 21.256 ( 4.162 7.131 10.829) 13.618 21.551 ( 0.903 2.256 -1.957) 3.120 21.707 ( -1.835 -3.346 -2.325) 4.469 21.751 ( 1.515 0.514 2.205) 2.724 21.994 ( 3.496 4.573 2.473) 6.265 22.090 ( -4.411 4.182 -4.306) 7.449 22.261 ( -0.627 3.284 3.815) 5.073 22.294 ( -4.968 6.126 -0.585) 7.909 22.928 ( -5.709 -0.754 1.141) 5.870 23.079 ( 3.272 -3.749 -2.117) 5.408 23.212 ( 6.130 -2.019 -6.951) 9.485 23.443 ( 10.835 -1.581 -2.261) 11.180 23.685 ( -4.269 -4.939 0.808) 6.578 23.742 ( 4.764 1.270 5.988) 7.757 23.833 ( 1.856 0.119 -4.041) 4.449 24.050 ( -5.550 -3.516 3.068) 7.251 24.244 ( 5.419 -2.368 -2.076) 6.268 24.253 ( -1.487 -1.101 0.134) 1.855 24.377 ( 2.705 1.050 -0.902) 3.038 24.519 ( -2.812 1.994 0.580) 3.495 24.796 ( 0.381 0.584 -0.620) 0.933 24.940 ( 2.295 2.842 -5.979) 7.006 25.066 ( -0.104 -3.006 4.850) 5.707 25.717 ( 10.885 6.474 -3.995) 13.280 26.676 ( 0.334 -3.316 -0.836) 3.435 26.979 ( -4.291 3.110 -1.579) 5.530 27.014 ( 3.084 1.928 2.912) 4.660 27.095 ( -2.332 -2.754 -3.964) 5.360 27.164 ( 3.061 -0.850 0.583) 3.229 27.560 ( 5.749 4.283 -9.512) 11.911 28.037 ( 4.226 2.632 1.009) 5.080 28.129 ( 8.361 -3.254 -4.322) 9.959 28.557 ( 2.993 -2.308 2.072) 4.310 28.713 ( -1.713 3.531 5.119) 6.451 29.243 ( -3.742 -5.141 1.684) 6.578 29.630 ( -9.405 3.815 1.855) 10.318 29.744 ( -6.147 -3.370 1.107) 7.097 29.970 ( 1.207 -0.978 0.522) 1.639 30.277 ( -2.842 2.959 -2.433) 4.770 30.316 ( 0.993 1.233 -1.579) 2.236 30.421 ( -2.343 -0.806 2.598) 3.590 30.822 ( -0.405 -0.177 -2.099) 2.146 ======================= Grid point 56 (51/96) ======================= q-point: ( 0.49 -0.49 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -22.229 -9.678 -0.000) 24.244 3.909 ( 12.664 6.679 0.000) 14.318 4.401 ( -4.618 -2.231 -0.000) 5.129 4.943 ( 15.160 11.180 0.000) 18.837 5.946 ( -15.709 18.540 0.000) 24.301 5.993 ( -4.308 -2.558 -0.000) 5.010 6.541 ( -6.823 -8.478 -0.000) 10.883 6.807 ( -6.731 15.076 0.000) 16.510 7.317 ( -33.681 18.826 0.000) 38.585 7.811 ( -32.792 -6.449 0.000) 33.421 9.063 ( 12.020 -3.637 -0.000) 12.559 9.091 ( 14.414 3.972 -0.000) 14.951 9.265 ( 20.512 -15.025 -0.000) 25.426 9.977 ( 7.514 -7.903 -0.000) 10.905 10.782 ( -47.287 36.871 0.000) 59.963 10.883 ( -3.922 -16.869 -0.000) 17.319 11.270 ( -3.285 6.754 0.000) 7.510 11.695 ( -0.832 -7.699 -0.000) 7.744 11.971 ( -0.606 -14.657 -0.000) 14.669 12.246 ( 4.074 37.766 0.000) 37.985 13.052 ( -5.205 -11.125 -0.000) 12.283 13.455 ( 17.234 1.934 -0.000) 17.342 14.104 ( -4.746 0.263 0.000) 4.753 14.125 ( -0.780 8.369 0.000) 8.405 14.993 ( 2.127 9.255 0.000) 9.496 15.184 ( 15.148 -4.028 -0.000) 15.674 15.856 ( -7.049 -15.075 -0.000) 16.641 16.235 ( -4.756 -6.421 -0.000) 7.991 16.406 ( -4.015 -10.799 -0.000) 11.521 16.649 ( 0.723 10.454 0.000) 10.479 16.769 ( 1.053 -2.103 -0.000) 2.352 16.887 ( -3.738 -11.420 -0.000) 12.016 16.972 ( 13.504 0.926 -0.000) 13.535 17.462 ( -2.664 -5.623 -0.000) 6.222 17.516 ( 1.729 7.622 0.000) 7.816 17.878 ( -3.560 -18.988 -0.000) 19.319 17.891 ( -15.334 0.457 0.000) 15.341 17.985 ( -12.619 0.004 0.000) 12.619 18.003 ( -10.987 -1.549 0.000) 11.096 18.435 ( 8.279 5.925 0.000) 10.181 18.608 ( -4.598 -3.526 -0.000) 5.794 18.750 ( 11.831 4.302 0.000) 12.589 19.000 ( 7.302 3.334 0.000) 8.027 19.063 ( -14.324 -17.034 -0.000) 22.257 19.152 ( 11.239 -2.752 -0.000) 11.571 19.523 ( -24.898 17.719 0.000) 30.559 19.600 ( 7.591 -23.122 -0.000) 24.336 19.777 ( -1.651 -5.891 -0.000) 6.119 20.130 ( 17.657 -0.616 -0.000) 17.667 20.149 ( 3.226 -4.441 -0.000) 5.489 20.368 ( 6.204 15.339 0.000) 16.546 20.420 ( 16.904 5.962 0.000) 17.924 20.947 ( 5.266 1.464 -0.000) 5.465 20.966 ( 5.859 7.376 0.000) 9.420 21.413 ( -3.761 -5.152 -0.000) 6.379 21.487 ( -3.562 10.606 0.000) 11.188 21.806 ( 1.973 -3.216 -0.000) 3.773 21.808 ( -4.764 3.886 0.000) 6.148 22.055 ( -0.601 -6.758 -0.000) 6.785 22.188 ( -4.389 10.407 0.000) 11.295 22.505 ( -12.085 2.809 0.000) 12.407 22.535 ( -14.157 -3.585 0.000) 14.604 22.934 ( 1.314 0.828 0.000) 1.553 23.172 ( 14.912 -0.443 -0.000) 14.918 23.220 ( 1.367 -0.652 -0.000) 1.514 23.276 ( 13.298 1.229 -0.000) 13.354 23.596 ( 5.753 -6.867 -0.000) 8.958 23.614 ( -4.915 6.479 0.000) 8.132 23.883 ( -6.542 -2.625 -0.000) 7.049 24.026 ( -0.543 1.208 0.000) 1.324 24.114 ( 5.959 -1.031 -0.000) 6.047 24.226 ( 7.399 -3.764 -0.000) 8.301 24.402 ( -4.615 -7.959 -0.000) 9.200 24.619 ( -2.167 1.821 0.000) 2.830 24.684 ( 1.472 -3.142 -0.000) 3.470 24.820 ( 3.569 12.000 0.000) 12.520 24.985 ( 0.908 -6.853 -0.000) 6.913 25.326 ( 9.942 12.276 0.000) 15.797 26.839 ( 0.863 -2.486 -0.000) 2.631 26.845 ( 0.767 1.796 0.000) 1.953 27.021 ( -0.515 0.173 0.000) 0.544 27.034 ( 0.008 0.130 0.000) 0.130 27.405 ( -3.299 -4.638 -0.000) 5.691 27.735 ( 5.202 7.968 0.000) 9.516 27.918 ( -3.598 2.417 0.000) 4.334 28.117 ( 9.118 -2.712 -0.000) 9.513 28.468 ( 3.770 -4.437 -0.000) 5.823 28.474 ( 0.021 3.157 0.000) 3.157 29.391 ( -4.063 -7.379 -0.000) 8.424 29.581 ( -4.306 7.575 0.000) 8.713 29.899 ( -3.008 -2.828 -0.000) 4.128 29.957 ( 0.557 -0.866 -0.000) 1.030 30.307 ( 0.401 0.048 -0.000) 0.404 30.320 ( -1.830 3.782 0.000) 4.201 30.529 ( -7.654 -2.796 -0.000) 8.149 30.846 ( 3.697 1.152 0.000) 3.873 ======================= Grid point 58 (52/96) ======================= q-point: ( 0.28 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.349 ( 13.062 5.305 3.162) 14.449 3.456 ( -12.339 -5.584 4.485) 14.267 4.496 ( 5.915 2.112 -0.243) 6.285 4.540 ( -8.068 -2.308 2.494) 8.754 6.143 ( -3.889 9.648 -6.209) 12.115 6.270 ( 3.748 -1.989 -4.109) 5.906 6.697 ( 1.978 1.057 -0.915) 2.422 6.779 ( -5.763 -6.250 2.694) 8.918 8.041 ( -13.971 14.480 -1.821) 20.203 8.273 ( 4.224 -9.597 -3.375) 11.016 8.745 ( 14.586 14.094 -7.324) 21.565 9.019 ( -15.983 -12.659 -13.415) 24.406 9.588 ( -20.233 3.015 1.386) 20.504 9.695 ( 25.702 -7.689 -1.822) 26.889 10.849 ( 16.246 22.034 7.136) 28.291 11.143 ( 11.514 9.957 6.490) 16.548 11.309 ( -15.614 -9.784 7.990) 20.084 11.585 ( -18.900 -11.583 3.840) 22.497 11.844 ( 7.527 2.905 -6.240) 10.200 12.113 ( -10.971 -19.066 -2.531) 22.142 12.779 ( 16.425 9.884 7.146) 20.458 13.146 ( -10.295 -22.446 7.841) 25.910 14.085 ( 12.581 6.244 0.582) 14.058 14.129 ( -13.636 0.158 -1.480) 13.717 15.335 ( -9.199 3.032 -10.088) 13.985 15.410 ( 10.982 -4.784 -6.337) 13.551 15.980 ( 13.198 10.962 4.213) 17.666 16.160 ( -15.142 0.476 3.174) 15.478 16.243 ( -6.790 15.167 -5.325) 17.450 16.533 ( 13.212 -1.366 -0.708) 13.301 16.694 ( -4.970 -5.914 -1.660) 7.902 16.831 ( 10.232 -17.519 -1.923) 20.379 17.200 ( 3.668 5.760 -1.598) 7.013 17.295 ( -2.721 -4.640 5.786) 7.900 17.704 ( 7.532 5.510 10.669) 14.175 17.751 ( -3.105 12.326 4.966) 13.647 17.815 ( -5.109 1.654 6.872) 8.721 17.981 ( -1.696 -3.687 3.691) 5.486 18.051 ( -3.093 6.452 -1.419) 7.294 18.223 ( 12.407 -10.121 -1.855) 16.118 18.496 ( -4.612 7.341 15.151) 17.456 18.623 ( 4.008 -5.170 9.797) 11.781 19.100 ( 1.966 13.555 -2.789) 13.978 19.233 ( -3.534 1.372 -10.696) 11.348 19.350 ( 0.992 -5.031 -7.770) 9.309 19.482 ( -9.928 -15.748 -8.899) 20.634 19.829 ( -3.534 11.788 -8.500) 14.956 19.991 ( 3.263 -1.610 -10.936) 11.526 20.149 ( -13.851 -2.567 0.641) 14.102 20.202 ( 21.567 -7.024 -3.482) 22.947 20.477 ( 1.310 8.556 -9.044) 12.519 20.657 ( -3.054 -8.765 -4.597) 10.357 20.856 ( -4.839 12.452 8.462) 15.814 21.027 ( 0.269 -0.405 -2.051) 2.108 21.271 ( 1.720 -5.243 4.122) 6.888 21.302 ( -0.887 -8.390 0.551) 8.455 21.678 ( 0.323 2.849 4.647) 5.461 21.738 ( -0.634 -3.431 -0.025) 3.489 21.975 ( 1.667 9.908 2.896) 10.456 22.196 ( -1.540 -11.522 6.698) 13.416 22.338 ( -6.636 3.127 5.528) 9.185 22.449 ( 7.956 -6.896 6.171) 12.204 22.960 ( -1.166 3.524 -2.234) 4.332 23.025 ( 3.028 -2.853 -0.808) 4.238 23.104 ( 3.876 3.681 0.884) 5.418 23.176 ( -6.114 -3.680 -1.002) 7.206 23.544 ( 2.450 8.381 0.036) 8.732 23.623 ( -4.186 0.075 3.398) 5.392 23.994 ( 2.575 1.987 0.162) 3.257 24.041 ( -1.034 -3.339 -0.097) 3.497 24.272 ( -0.556 2.013 -4.883) 5.311 24.315 ( 0.886 -2.111 -4.240) 4.818 24.514 ( 3.645 5.625 3.379) 7.506 24.595 ( -5.644 -2.376 2.191) 6.504 24.704 ( 3.377 5.007 -8.422) 10.364 24.819 ( -2.782 -6.215 -4.646) 8.244 25.154 ( -0.101 5.125 -3.495) 6.204 25.271 ( -0.847 -6.689 -2.050) 7.047 26.779 ( 0.836 5.522 1.867) 5.888 26.876 ( 0.129 -4.121 -1.451) 4.371 27.054 ( -2.177 0.950 -0.839) 2.519 27.071 ( 1.183 -0.813 -1.301) 1.937 27.240 ( 2.614 1.834 5.572) 6.422 27.295 ( -2.474 -3.992 9.439) 10.543 27.884 ( -4.125 4.657 2.693) 6.779 27.974 ( 4.048 -4.513 2.855) 6.701 28.534 ( -0.396 4.357 -3.403) 5.543 28.627 ( 0.456 -5.255 -3.873) 6.544 29.524 ( 0.896 9.184 -1.832) 9.408 29.690 ( -1.427 -7.808 -2.326) 8.272 29.948 ( -0.250 1.754 -0.491) 1.839 29.967 ( 0.741 -0.037 -0.893) 1.161 30.274 ( -0.635 0.436 0.737) 1.066 30.295 ( 0.014 -1.721 1.417) 2.229 30.644 ( 3.381 3.546 1.445) 5.108 30.716 ( -2.743 -3.611 0.725) 4.592 ======================= Grid point 59 (53/96) ======================= q-point: ( 0.28 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 1.431 2.380) 2.778 3.288 ( 0.000 58.446 34.603) 67.921 3.837 ( 0.000 66.968 41.492) 78.780 4.248 ( 0.000 5.943 -0.823) 6.000 4.437 ( 0.000 1.481 -1.016) 1.796 5.127 ( 0.000 70.441 47.496) 84.957 5.994 ( -0.000 7.666 -15.230) 17.051 6.002 ( 0.000 -0.694 2.972) 3.052 6.386 ( 0.000 24.091 13.010) 27.380 6.831 ( 0.000 8.469 5.510) 10.104 7.493 ( -0.000 -19.835 18.238) 26.945 9.304 ( -0.000 -5.104 -8.134) 9.603 9.808 ( -0.000 -18.749 -37.951) 42.329 10.106 ( -0.000 3.479 -12.430) 12.908 10.278 ( -0.000 -1.464 -1.084) 1.822 11.051 ( 0.000 10.538 15.584) 18.813 11.860 ( -0.000 -33.223 8.272) 34.237 12.048 ( -0.000 9.203 -15.727) 18.222 12.253 ( 0.000 8.425 1.471) 8.552 12.460 ( -0.000 -23.549 -9.874) 25.536 12.507 ( -0.000 -38.413 5.313) 38.778 13.022 ( -0.000 1.190 -4.596) 4.747 13.755 ( -0.000 -22.537 -22.789) 32.051 14.181 ( -0.000 1.030 -34.020) 34.035 15.332 ( -0.000 5.015 -12.352) 13.332 15.495 ( 0.000 18.706 -3.911) 19.111 15.726 ( -0.000 6.198 -11.766) 13.299 16.189 ( 0.000 4.919 7.064) 8.608 16.523 ( 0.000 3.341 -0.415) 3.367 16.524 ( 0.000 0.211 10.862) 10.864 16.706 ( 0.000 4.498 15.515) 16.154 16.941 ( -0.000 -6.220 0.142) 6.221 16.943 ( 0.000 3.013 12.890) 13.238 17.278 ( 0.000 -0.641 3.711) 3.766 17.400 ( 0.000 8.426 10.664) 13.591 17.661 ( -0.000 -6.155 -1.500) 6.335 17.927 ( -0.000 6.500 -7.117) 9.638 17.954 ( -0.000 -6.652 0.230) 6.656 18.012 ( -0.000 -0.808 -5.321) 5.382 18.109 ( 0.000 0.308 21.865) 21.867 18.234 ( 0.000 -2.143 5.808) 6.191 18.518 ( 0.000 -1.349 8.026) 8.139 18.785 ( 0.000 11.687 1.529) 11.787 19.258 ( -0.000 -1.118 1.040) 1.527 19.611 ( 0.000 6.619 -3.180) 7.343 19.770 ( -0.000 -11.131 -19.036) 22.052 19.923 ( 0.000 0.542 1.500) 1.595 20.260 ( -0.000 0.752 -28.185) 28.195 20.421 ( -0.000 7.188 -13.205) 15.035 20.449 ( 0.000 0.953 1.634) 1.892 20.925 ( -0.000 -6.389 -3.498) 7.284 21.079 ( 0.000 0.496 0.952) 1.073 21.143 ( -0.000 -11.795 9.924) 15.415 21.276 ( 0.000 1.642 1.782) 2.423 21.359 ( -0.000 -5.148 -0.472) 5.170 21.413 ( 0.000 -5.560 13.253) 14.372 21.770 ( -0.000 -9.236 -2.543) 9.580 21.773 ( -0.000 -6.113 5.641) 8.318 21.926 ( 0.000 -5.252 7.559) 9.205 21.952 ( 0.000 0.260 4.644) 4.651 22.002 ( 0.000 -5.239 17.465) 18.233 22.410 ( 0.000 -7.625 9.848) 12.455 22.478 ( -0.000 -4.865 -1.176) 5.005 23.188 ( 0.000 8.317 6.964) 10.848 23.359 ( -0.000 3.192 -6.732) 7.451 23.457 ( -0.000 5.455 -5.843) 7.994 23.594 ( -0.000 -6.399 -2.185) 6.761 23.848 ( 0.000 -0.730 3.597) 3.670 23.849 ( 0.000 5.934 1.451) 6.109 24.119 ( -0.000 2.236 -4.301) 4.848 24.133 ( -0.000 2.305 -3.087) 3.853 24.222 ( 0.000 7.160 -2.790) 7.684 24.387 ( -0.000 0.538 -6.078) 6.102 24.588 ( 0.000 12.892 -0.370) 12.897 24.930 ( 0.000 -5.198 9.718) 11.021 25.050 ( -0.000 -4.036 2.287) 4.639 25.260 ( -0.000 -3.350 -10.889) 11.393 25.976 ( 0.000 12.333 -9.703) 15.693 26.534 ( 0.000 3.646 1.092) 3.806 26.802 ( -0.000 1.176 -1.885) 2.222 26.965 ( 0.000 2.082 -0.138) 2.086 27.188 ( 0.000 0.395 5.054) 5.070 27.259 ( -0.000 -6.575 1.046) 6.657 27.595 ( 0.000 4.962 -3.695) 6.187 27.987 ( 0.000 5.124 3.179) 6.030 28.380 ( 0.000 1.224 4.016) 4.199 28.665 ( -0.000 -2.846 0.767) 2.948 28.753 ( -0.000 -4.864 -6.258) 7.926 29.133 ( 0.000 2.755 0.809) 2.872 29.335 ( -0.000 -3.695 3.023) 4.774 29.743 ( -0.000 -5.911 1.799) 6.179 29.889 ( 0.000 9.420 -1.785) 9.588 30.124 ( -0.000 -3.141 0.631) 3.204 30.247 ( 0.000 2.473 3.550) 4.327 30.278 ( 0.000 2.907 -0.680) 2.985 30.936 ( -0.000 -1.941 -2.572) 3.222 ======================= Grid point 62 (54/96) ======================= q-point: (-0.13 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 60.129 -0.000 -0.000) 60.129 3.417 ( 11.255 -0.000 -0.000) 11.255 3.613 ( 63.443 -0.000 -0.000) 63.443 4.128 ( -1.996 0.000 0.000) 1.996 4.347 ( 3.687 -0.000 -0.000) 3.687 5.575 ( 21.869 -0.000 -0.000) 21.869 5.578 ( 75.905 -0.000 -0.000) 75.905 6.107 ( 5.739 -0.000 -0.000) 5.739 6.650 ( 23.866 -0.000 -0.000) 23.866 7.086 ( 37.368 -0.000 -0.000) 37.368 7.733 ( 14.054 -0.000 -0.000) 14.054 9.011 ( -19.181 0.000 0.000) 19.181 9.866 ( -4.389 0.000 0.000) 4.389 10.054 ( -13.038 0.000 0.000) 13.038 10.468 ( -15.652 0.000 0.000) 15.652 11.089 ( -2.646 0.000 0.000) 2.646 11.203 ( 19.480 -0.000 -0.000) 19.480 11.570 ( -27.250 0.000 0.000) 27.250 12.160 ( 2.682 -0.000 -0.000) 2.682 13.522 ( -10.284 0.000 0.000) 10.284 13.534 ( 14.425 -0.000 -0.000) 14.425 13.560 ( 6.081 -0.000 -0.000) 6.081 14.066 ( -20.170 0.000 0.000) 20.170 14.115 ( -18.624 0.000 0.000) 18.624 14.807 ( -3.938 0.000 0.000) 3.938 15.383 ( 0.127 -0.000 -0.000) 0.127 15.678 ( 7.060 -0.000 -0.000) 7.060 15.983 ( 5.906 -0.000 -0.000) 5.906 16.338 ( 7.642 -0.000 -0.000) 7.642 16.780 ( 2.587 -0.000 -0.000) 2.587 16.854 ( -13.420 0.000 0.000) 13.420 17.053 ( 36.331 -0.000 -0.000) 36.331 17.069 ( 6.181 -0.000 -0.000) 6.181 17.141 ( 4.602 -0.000 -0.000) 4.602 17.546 ( 5.936 -0.000 -0.000) 5.936 17.589 ( -1.270 0.000 0.000) 1.270 17.624 ( -15.311 0.000 0.000) 15.311 17.889 ( 9.766 -0.000 -0.000) 9.766 18.157 ( 7.882 -0.000 -0.000) 7.882 18.408 ( 24.633 -0.000 -0.000) 24.633 18.432 ( -6.703 0.000 0.000) 6.703 18.582 ( 12.296 -0.000 -0.000) 12.296 18.898 ( -10.682 0.000 0.000) 10.682 19.351 ( -5.729 0.000 0.000) 5.729 19.556 ( 28.475 -0.000 -0.000) 28.475 19.895 ( -21.047 0.000 0.000) 21.047 19.924 ( -27.019 0.000 0.000) 27.019 20.140 ( -7.766 0.000 0.000) 7.766 20.315 ( -12.955 0.000 0.000) 12.955 20.409 ( -15.693 0.000 0.000) 15.693 20.460 ( -14.618 0.000 0.000) 14.618 20.653 ( -4.706 0.000 0.000) 4.706 20.748 ( -7.422 0.000 0.000) 7.422 21.037 ( 2.016 -0.000 -0.000) 2.016 21.343 ( -4.147 0.000 0.000) 4.147 21.527 ( 6.745 -0.000 -0.000) 6.745 21.627 ( 5.214 -0.000 -0.000) 5.214 21.973 ( 1.532 -0.000 -0.000) 1.532 22.035 ( -14.707 0.000 0.000) 14.707 22.191 ( 5.118 -0.000 -0.000) 5.118 22.295 ( 7.878 -0.000 -0.000) 7.878 22.461 ( 6.018 -0.000 -0.000) 6.018 23.022 ( 7.263 -0.000 -0.000) 7.263 23.112 ( -7.046 0.000 0.000) 7.046 23.137 ( 4.132 -0.000 -0.000) 4.132 23.303 ( -1.164 0.000 0.000) 1.164 23.654 ( -1.775 0.000 0.000) 1.775 23.697 ( -10.269 0.000 0.000) 10.269 23.758 ( 4.598 -0.000 -0.000) 4.598 23.950 ( -2.193 0.000 0.000) 2.193 24.067 ( 6.349 -0.000 -0.000) 6.349 24.267 ( 6.293 -0.000 -0.000) 6.293 24.429 ( 1.490 -0.000 -0.000) 1.490 24.516 ( 5.732 -0.000 -0.000) 5.732 24.747 ( -22.856 0.000 0.000) 22.856 24.904 ( -1.415 0.000 0.000) 1.415 25.034 ( -17.740 0.000 0.000) 17.740 25.296 ( 2.768 -0.000 -0.000) 2.768 26.805 ( 7.464 -0.000 -0.000) 7.464 26.809 ( -0.385 0.000 0.000) 0.385 26.909 ( 3.093 -0.000 -0.000) 3.093 27.034 ( -4.021 0.000 0.000) 4.021 27.514 ( 2.533 -0.000 -0.000) 2.533 27.599 ( -8.229 0.000 0.000) 8.229 27.792 ( 10.530 -0.000 -0.000) 10.530 28.361 ( 0.542 -0.000 -0.000) 0.542 28.458 ( -10.398 0.000 0.000) 10.398 28.767 ( -6.831 0.000 0.000) 6.831 29.146 ( 3.794 -0.000 -0.000) 3.794 29.549 ( 6.009 -0.000 -0.000) 6.009 29.786 ( 4.093 -0.000 -0.000) 4.093 30.038 ( -4.291 0.000 0.000) 4.291 30.202 ( 0.875 -0.000 -0.000) 0.875 30.363 ( 1.751 -0.000 -0.000) 1.751 30.414 ( 10.701 -0.000 -0.000) 10.701 30.931 ( -3.862 0.000 0.000) 3.862 ======================= Grid point 63 (55/96) ======================= q-point: (-0.13 -0.37 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -24.988 0.000 5.832) 25.659 4.097 ( 13.244 -0.000 -2.919) 13.562 4.254 ( -4.615 0.000 -3.549) 5.822 4.821 ( 3.945 0.000 -12.659) 13.259 5.387 ( -20.286 0.000 -21.564) 29.606 6.025 ( -7.261 0.000 3.190) 7.931 6.569 ( -26.939 0.000 -36.517) 45.378 6.577 ( -4.856 0.000 -8.853) 10.097 7.074 ( -5.144 0.000 -15.515) 16.345 7.638 ( -15.904 0.000 -16.957) 23.248 8.990 ( 4.120 -0.000 -4.808) 6.332 9.452 ( -18.455 0.000 41.192) 45.137 9.657 ( -10.617 0.000 -0.768) 10.645 9.943 ( -12.730 0.000 -30.730) 33.262 10.014 ( -16.652 0.000 25.527) 30.478 10.080 ( 7.177 -0.000 5.499) 9.042 10.939 ( -14.558 0.000 -2.899) 14.844 11.754 ( 3.987 -0.000 -8.036) 8.971 12.011 ( 8.224 0.000 -23.943) 25.316 12.798 ( -2.178 -0.000 15.653) 15.804 12.826 ( 2.737 -0.000 27.681) 27.816 13.421 ( -5.017 0.000 1.987) 5.396 13.561 ( -6.386 0.000 2.686) 6.928 14.081 ( -10.135 0.000 -3.152) 10.614 15.204 ( -17.711 0.000 1.005) 17.739 15.213 ( -1.390 0.000 2.718) 3.053 15.375 ( 1.465 0.000 -10.150) 10.255 16.117 ( 7.236 -0.000 1.044) 7.311 16.398 ( 17.467 -0.000 11.803) 21.081 16.663 ( 4.894 -0.000 0.133) 4.896 16.801 ( -0.935 0.000 -2.998) 3.140 17.077 ( -7.135 0.000 0.950) 7.198 17.119 ( -2.438 0.000 -0.053) 2.439 17.283 ( -3.894 0.000 -3.119) 4.989 17.344 ( 0.305 0.000 -2.844) 2.860 17.442 ( 18.400 -0.000 -5.767) 19.282 17.686 ( 16.053 -0.000 4.723) 16.734 18.152 ( 1.514 -0.000 -1.784) 2.340 18.160 ( -2.918 0.000 4.650) 5.490 18.498 ( -0.189 -0.000 6.637) 6.640 18.746 ( -0.426 -0.000 8.681) 8.691 18.818 ( 26.216 -0.000 25.025) 36.243 18.867 ( -18.810 0.000 -8.873) 20.797 18.874 ( -22.950 0.000 -0.322) 22.952 19.372 ( -10.631 0.000 -17.410) 20.399 19.654 ( 3.050 0.000 -8.854) 9.364 19.778 ( -0.078 -0.000 9.037) 9.037 19.839 ( -19.644 0.000 0.265) 19.646 20.044 ( 3.643 -0.000 12.787) 13.296 20.462 ( -5.839 0.000 -17.390) 18.344 20.705 ( 5.806 -0.000 -0.340) 5.816 20.915 ( 15.201 -0.000 6.258) 16.439 21.204 ( 13.812 -0.000 0.888) 13.841 21.204 ( 6.188 -0.000 0.399) 6.201 21.507 ( 4.249 -0.000 -0.587) 4.290 21.603 ( 15.187 -0.000 8.199) 17.258 21.659 ( 5.445 -0.000 -7.359) 9.154 21.697 ( -1.517 0.000 2.524) 2.945 21.880 ( 10.594 -0.000 -2.091) 10.799 22.274 ( -4.859 0.000 2.832) 5.624 22.319 ( -7.442 0.000 -1.383) 7.569 22.544 ( -6.080 0.000 10.708) 12.314 22.968 ( 4.219 -0.000 0.305) 4.230 22.975 ( -3.290 0.000 4.288) 5.405 23.072 ( 3.887 -0.000 -3.986) 5.568 23.282 ( 9.610 -0.000 -8.869) 13.077 23.614 ( -1.639 0.000 -4.299) 4.601 23.802 ( 2.680 -0.000 3.582) 4.473 23.805 ( 9.314 -0.000 -0.614) 9.334 24.133 ( -1.417 -0.000 3.762) 4.020 24.178 ( -1.571 0.000 2.078) 2.606 24.301 ( -4.082 0.000 -5.161) 6.580 24.315 ( -1.890 0.000 1.135) 2.205 24.460 ( -4.972 0.000 -5.452) 7.379 24.722 ( -5.545 0.000 -7.638) 9.438 24.922 ( 4.965 -0.000 4.522) 6.716 25.119 ( 2.536 -0.000 1.663) 3.033 25.657 ( 5.035 -0.000 -7.482) 9.018 26.669 ( 1.122 -0.000 2.894) 3.104 26.940 ( -3.434 0.000 -5.012) 6.075 26.960 ( -4.261 0.000 -3.623) 5.593 27.145 ( 2.517 -0.000 6.902) 7.347 27.213 ( 3.003 -0.000 3.829) 4.866 27.423 ( 7.011 -0.000 -7.045) 9.940 27.935 ( 7.255 -0.000 -6.822) 9.959 28.198 ( 6.232 -0.000 7.450) 9.713 28.541 ( 1.886 -0.000 -1.546) 2.439 28.826 ( -1.490 0.000 1.567) 2.162 29.210 ( -3.111 0.000 0.387) 3.135 29.682 ( -8.992 0.000 -0.836) 9.031 29.728 ( -6.017 0.000 1.148) 6.125 29.966 ( 1.907 -0.000 0.167) 1.914 30.264 ( -2.941 0.000 -1.366) 3.243 30.295 ( 0.614 -0.000 -1.435) 1.561 30.460 ( -3.916 0.000 1.289) 4.123 30.800 ( 0.548 -0.000 0.514) 0.751 ======================= Grid point 65 (56/96) ======================= q-point: ( 0.67 -0.50 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -23.110 -4.645 -1.345) 23.610 3.986 ( 12.643 4.648 -4.665) 14.255 4.357 ( -2.750 -1.774 0.684) 3.343 4.979 ( 14.114 4.510 -8.801) 17.234 5.961 ( -1.441 -2.826 -0.062) 3.173 6.127 ( -4.793 0.573 -2.797) 5.579 6.580 ( 1.330 2.127 10.087) 10.394 7.067 ( 2.006 8.509 -0.623) 8.765 7.621 ( -30.684 10.971 -1.083) 32.605 7.956 ( -17.153 4.284 11.194) 20.925 8.828 ( 4.559 -11.146 -3.998) 12.688 8.997 ( -17.582 -5.951 9.915) 21.044 9.329 ( 30.759 -4.834 15.320) 34.701 9.920 ( 21.218 -6.391 9.055) 23.938 10.436 ( -18.551 -5.862 -15.477) 24.860 10.901 ( -9.489 0.042 -34.286) 35.575 11.402 ( -0.311 -12.896 -0.424) 12.907 11.639 ( -28.632 20.243 13.163) 37.454 12.231 ( 6.660 22.957 6.631) 24.807 12.777 ( -3.760 18.069 -4.607) 19.022 13.028 ( -3.861 -3.061 -5.796) 7.607 13.348 ( 8.043 11.103 -11.057) 17.613 14.021 ( -5.470 5.813 -0.572) 8.003 14.140 ( -4.176 -14.666 -1.414) 15.315 15.113 ( 14.073 -6.210 5.287) 16.266 15.282 ( 2.354 8.574 6.342) 10.921 15.646 ( -0.779 -10.339 4.819) 11.433 16.037 ( -5.211 1.132 -10.588) 11.855 16.223 ( -7.291 -6.874 -6.003) 11.681 16.618 ( -6.531 -1.077 -2.757) 7.171 16.774 ( -0.264 -7.721 7.301) 10.629 16.826 ( 6.614 0.129 6.677) 9.399 17.030 ( 8.676 7.552 -2.518) 11.774 17.334 ( -1.069 -4.427 -0.302) 4.564 17.511 ( -1.138 -13.199 -2.856) 13.553 17.602 ( -7.918 1.686 -10.268) 13.075 17.708 ( -8.259 -3.709 -6.216) 10.982 17.986 ( -3.792 -4.164 7.679) 9.523 18.102 ( -9.669 -1.003 -0.838) 9.757 18.397 ( 0.967 0.899 -3.657) 3.888 18.551 ( 0.632 -2.543 -2.093) 3.354 18.655 ( -4.324 -6.539 -6.129) 9.951 18.835 ( 0.054 -10.510 7.972) 13.191 19.046 ( 3.424 2.576 5.000) 6.585 19.195 ( 7.891 0.885 8.087) 11.334 19.590 ( -1.273 -0.428 14.739) 14.800 19.653 ( -3.836 -2.577 1.961) 5.020 19.862 ( -7.117 7.603 4.612) 11.390 20.135 ( 3.455 -1.066 4.912) 6.100 20.279 ( 11.421 4.486 6.227) 13.760 20.509 ( 7.323 1.327 -2.135) 7.742 20.699 ( 3.708 8.270 8.168) 12.201 20.925 ( 5.578 -5.316 2.599) 8.132 21.043 ( 10.649 1.434 -8.933) 13.974 21.330 ( -3.650 2.730 -3.025) 5.471 21.615 ( -0.022 4.153 -4.158) 5.877 21.738 ( -1.122 6.883 -1.669) 7.171 21.839 ( -0.804 -3.013 -2.226) 3.831 21.958 ( 2.784 1.074 -4.039) 5.022 22.355 ( -7.856 3.093 0.862) 8.487 22.404 ( -12.840 3.758 -6.591) 14.914 22.489 ( -10.362 4.804 -7.007) 13.399 22.956 ( 0.276 0.006 0.898) 0.939 23.097 ( 7.672 -1.525 -3.231) 8.463 23.164 ( 12.420 -2.635 -2.334) 12.909 23.227 ( 2.220 -6.303 -3.185) 7.403 23.492 ( 11.221 -1.784 3.035) 11.760 23.779 ( -0.648 -1.750 -0.589) 1.957 23.899 ( -3.023 4.836 4.424) 7.218 24.013 ( 0.550 -4.834 3.725) 6.127 24.121 ( 2.273 -7.445 4.149) 8.820 24.193 ( -2.701 3.000 2.530) 4.764 24.365 ( -0.807 1.322 1.239) 1.983 24.477 ( -0.170 -3.887 -1.686) 4.241 24.803 ( 4.246 1.187 -1.010) 4.524 24.875 ( 0.341 0.034 5.545) 5.555 25.028 ( 2.753 2.747 0.954) 4.004 25.514 ( 10.123 6.925 -0.494) 12.275 26.739 ( -0.745 -3.506 -3.597) 5.078 26.893 ( 1.876 1.675 1.220) 2.795 27.036 ( -0.217 0.460 1.667) 1.743 27.051 ( 1.227 -0.718 1.888) 2.363 27.282 ( -1.691 -1.654 -5.261) 5.768 27.701 ( 2.791 5.500 -12.061) 13.547 28.015 ( -1.248 2.916 0.575) 3.223 28.023 ( 9.054 -3.295 -3.554) 10.269 28.421 ( 2.582 -3.014 3.186) 5.089 28.611 ( -0.137 3.856 5.766) 6.938 29.276 ( -3.125 -6.339 1.778) 7.287 29.736 ( -4.240 4.732 2.948) 7.004 29.848 ( -4.445 -2.221 0.082) 4.970 29.941 ( 0.473 -1.119 0.472) 1.303 30.307 ( 1.368 0.480 -0.549) 1.550 30.365 ( -0.716 2.313 -1.678) 2.946 30.482 ( -6.709 -1.770 -0.105) 6.939 30.853 ( 1.900 1.038 -1.361) 2.558 ======================= Grid point 66 (57/96) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 0.467 1.414) 1.489 4.231 ( -0.000 2.977 -4.929) 5.759 4.426 ( -0.000 0.844 -1.736) 1.931 4.749 ( 0.000 32.734 16.647) 36.723 5.467 ( 0.000 19.586 10.870) 22.400 5.554 ( -0.000 -0.086 -26.289) 26.289 6.444 ( 0.000 28.607 29.485) 41.082 6.507 ( 0.000 8.274 8.962) 12.198 6.964 ( 0.000 6.743 4.590) 8.157 7.713 ( 0.000 -9.423 42.251) 43.289 7.946 ( 0.000 25.779 18.276) 31.600 8.397 ( -0.000 -23.511 -48.824) 54.190 9.159 ( 0.000 24.786 -1.216) 24.816 9.533 ( -0.000 -21.935 -6.711) 22.939 10.250 ( -0.000 -0.446 -0.401) 0.600 11.162 ( -0.000 -34.197 10.699) 35.832 11.220 ( -0.000 -19.451 -57.103) 60.325 11.820 ( -0.000 -14.463 -6.194) 15.733 11.829 ( 0.000 1.423 25.153) 25.193 12.527 ( 0.000 3.771 3.877) 5.408 12.581 ( 0.000 19.567 1.071) 19.596 12.923 ( -0.000 2.130 -6.956) 7.275 13.175 ( 0.000 -0.879 8.598) 8.643 13.437 ( -0.000 1.768 -37.626) 37.667 15.158 ( -0.000 -2.601 -7.609) 8.041 15.565 ( -0.000 2.837 -7.007) 7.560 15.772 ( 0.000 16.014 -11.117) 19.494 16.229 ( -0.000 -9.737 2.350) 10.017 16.536 ( 0.000 7.319 7.554) 10.519 16.579 ( 0.000 4.897 -1.918) 5.260 16.899 ( 0.000 -1.936 3.269) 3.799 17.142 ( -0.000 -2.203 -2.527) 3.353 17.300 ( 0.000 -7.229 9.911) 12.268 17.576 ( 0.000 8.265 22.784) 24.237 17.579 ( 0.000 3.696 8.433) 9.208 17.685 ( -0.000 -0.390 -9.895) 9.903 17.797 ( 0.000 1.952 9.755) 9.949 17.916 ( -0.000 -5.337 -3.784) 6.542 17.941 ( 0.000 2.595 4.321) 5.040 18.261 ( 0.000 -5.834 6.104) 8.443 18.518 ( 0.000 -3.173 9.698) 10.204 18.596 ( 0.000 -3.165 12.154) 12.559 19.031 ( 0.000 9.618 0.487) 9.631 19.102 ( -0.000 -9.537 -19.837) 22.010 19.283 ( 0.000 1.388 -0.493) 1.473 19.536 ( -0.000 -20.683 2.098) 20.789 19.621 ( -0.000 -1.416 -28.130) 28.166 19.913 ( -0.000 -12.373 -6.208) 13.843 20.400 ( 0.000 18.159 -7.731) 19.736 20.571 ( 0.000 -0.015 4.132) 4.132 20.784 ( 0.000 13.559 -1.812) 13.680 20.940 ( -0.000 -6.698 -0.034) 6.698 21.114 ( 0.000 -0.238 2.965) 2.974 21.310 ( 0.000 1.847 0.970) 2.086 21.335 ( -0.000 -5.952 1.793) 6.216 21.610 ( 0.000 3.145 -1.930) 3.690 21.713 ( 0.000 -4.344 13.882) 14.546 21.861 ( 0.000 0.683 5.229) 5.274 21.985 ( 0.000 -1.527 6.405) 6.584 22.132 ( 0.000 -5.721 17.218) 18.143 22.236 ( 0.000 -3.011 11.041) 11.444 22.366 ( -0.000 -4.991 0.525) 5.019 22.558 ( 0.000 0.806 9.181) 9.216 23.228 ( -0.000 1.069 -9.304) 9.365 23.381 ( 0.000 0.590 0.580) 0.828 23.421 ( -0.000 5.924 -8.196) 10.112 23.656 ( 0.000 5.520 7.652) 9.435 23.891 ( -0.000 -3.311 0.079) 3.311 23.965 ( 0.000 -1.132 11.533) 11.589 24.025 ( -0.000 -0.901 -4.283) 4.376 24.099 ( -0.000 0.821 -2.294) 2.437 24.196 ( -0.000 -5.813 -6.052) 8.392 24.326 ( 0.000 9.525 -5.524) 11.011 24.663 ( -0.000 2.203 -4.447) 4.963 24.834 ( -0.000 -2.108 -19.727) 19.840 25.079 ( 0.000 0.921 1.318) 1.608 25.123 ( 0.000 -5.094 12.472) 13.472 25.910 ( -0.000 9.152 -16.272) 18.669 26.651 ( 0.000 4.399 2.443) 5.032 26.727 ( -0.000 -0.803 -4.359) 4.432 27.040 ( 0.000 2.663 0.154) 2.668 27.144 ( -0.000 -4.415 0.454) 4.438 27.288 ( 0.000 -2.063 4.990) 5.399 27.604 ( -0.000 6.050 -5.665) 8.288 28.159 ( 0.000 4.015 4.100) 5.739 28.498 ( 0.000 1.554 3.817) 4.121 28.515 ( -0.000 -4.895 -6.377) 8.039 28.638 ( -0.000 -1.831 1.082) 2.127 29.172 ( -0.000 -0.857 0.411) 0.950 29.361 ( 0.000 0.122 3.245) 3.248 29.671 ( -0.000 -6.470 2.848) 7.069 30.006 ( 0.000 8.774 -4.118) 9.692 30.088 ( -0.000 -2.928 1.759) 3.416 30.306 ( 0.000 2.422 -1.614) 2.911 30.369 ( 0.000 0.966 3.622) 3.749 30.834 ( -0.000 -1.875 -2.695) 3.283 ======================= Grid point 68 (58/96) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -37.004 -11.695 -0.000) 38.808 3.333 ( -42.908 49.392 0.000) 65.427 3.887 ( -38.209 66.313 0.000) 76.534 4.355 ( 1.473 5.656 0.000) 5.845 4.397 ( 1.724 3.057 0.000) 3.509 5.029 ( -38.060 61.100 0.000) 71.985 5.909 ( -2.404 8.412 0.000) 8.748 6.266 ( -4.832 11.148 0.000) 12.150 6.470 ( -19.991 9.715 0.000) 22.227 6.848 ( -9.642 14.057 0.000) 17.046 7.314 ( -5.328 -8.821 -0.000) 10.305 9.331 ( 4.682 -7.105 -0.000) 8.509 10.036 ( 14.924 0.766 -0.000) 14.943 10.206 ( 5.867 0.013 -0.000) 5.867 10.515 ( -8.939 -1.883 0.000) 9.135 10.853 ( -7.020 7.743 0.000) 10.452 11.620 ( 13.399 -25.794 -0.000) 29.066 12.054 ( 10.174 -27.252 -0.000) 29.089 12.163 ( 13.720 21.193 0.000) 25.246 12.431 ( -1.467 -30.397 -0.000) 30.433 12.793 ( -22.378 -13.820 -0.000) 26.301 13.028 ( -2.998 -8.462 -0.000) 8.978 14.123 ( -2.386 -11.435 -0.000) 11.681 14.470 ( 11.499 0.294 -0.000) 11.503 15.371 ( 16.053 17.335 0.000) 23.626 15.447 ( 7.799 5.888 0.000) 9.772 15.947 ( 10.138 0.200 -0.000) 10.140 15.951 ( -7.346 9.723 0.000) 12.186 16.273 ( -9.510 4.386 0.000) 10.473 16.531 ( -6.482 -3.122 -0.000) 7.195 16.721 ( 0.455 1.182 0.000) 1.267 17.011 ( -16.025 5.310 0.000) 16.882 17.059 ( -8.203 -16.005 -0.000) 17.985 17.148 ( 5.364 3.320 0.000) 6.308 17.457 ( -6.223 1.439 0.000) 6.387 17.666 ( 0.013 10.035 0.000) 10.035 17.713 ( -0.076 -4.640 -0.000) 4.641 18.003 ( -8.887 -7.537 -0.000) 11.652 18.089 ( -6.751 -0.421 0.000) 6.764 18.183 ( 4.989 -13.782 -0.000) 14.657 18.249 ( -1.766 19.938 0.000) 20.016 18.358 ( -5.162 7.362 0.000) 8.992 18.839 ( -7.524 -2.073 0.000) 7.804 19.174 ( 5.716 2.787 0.000) 6.359 19.650 ( 2.408 0.051 -0.000) 2.408 19.862 ( 2.649 -1.255 -0.000) 2.932 20.050 ( -1.079 -12.974 -0.000) 13.019 20.211 ( 22.309 -2.179 -0.000) 22.415 20.509 ( 8.983 -6.766 -0.000) 11.246 20.514 ( 6.557 -1.456 -0.000) 6.717 20.804 ( 8.742 -1.312 -0.000) 8.840 20.896 ( -0.706 4.850 0.000) 4.901 21.129 ( -0.570 8.397 0.000) 8.417 21.153 ( 6.502 -9.537 -0.000) 11.543 21.242 ( 15.681 0.760 -0.000) 15.700 21.362 ( 0.529 -6.592 -0.000) 6.614 21.589 ( -0.474 -8.515 -0.000) 8.529 21.708 ( -4.223 4.477 0.000) 6.154 21.875 ( -0.094 -1.935 -0.000) 1.938 21.989 ( -12.549 -0.462 0.000) 12.558 22.017 ( -9.608 -12.526 -0.000) 15.787 22.298 ( -1.487 -8.223 -0.000) 8.356 22.748 ( -15.496 -3.486 0.000) 15.884 23.166 ( -4.500 7.733 0.000) 8.947 23.332 ( 8.575 0.559 -0.000) 8.593 23.446 ( 4.552 5.500 0.000) 7.140 23.699 ( -4.213 -4.702 -0.000) 6.314 23.770 ( 4.117 5.173 0.000) 6.611 23.853 ( -1.500 2.026 0.000) 2.521 23.999 ( 9.192 2.163 -0.000) 9.443 24.226 ( -3.788 4.084 0.000) 5.570 24.331 ( -2.561 -0.144 0.000) 2.565 24.469 ( -1.868 -1.952 -0.000) 2.702 24.586 ( 0.658 19.352 0.000) 19.364 24.802 ( 1.263 -5.025 -0.000) 5.182 25.052 ( -2.657 -6.060 -0.000) 6.616 25.161 ( 18.694 -2.557 -0.000) 18.868 25.778 ( 21.699 12.525 0.000) 25.055 26.684 ( -9.559 3.544 0.000) 10.195 26.822 ( -0.309 2.636 0.000) 2.654 26.992 ( 0.193 3.928 0.000) 3.933 27.073 ( 1.754 -2.748 -0.000) 3.260 27.330 ( -4.987 -4.932 -0.000) 7.014 27.681 ( -4.210 4.316 0.000) 6.029 27.879 ( 6.275 5.647 0.000) 8.442 28.362 ( -1.810 1.441 0.000) 2.313 28.584 ( 6.349 -2.772 -0.000) 6.927 28.779 ( 3.996 -5.361 -0.000) 6.686 29.171 ( -4.406 4.613 0.000) 6.379 29.330 ( -3.116 -4.650 -0.000) 5.598 29.804 ( -6.076 -7.578 -0.000) 9.713 29.924 ( -1.189 8.169 0.000) 8.255 30.134 ( -1.779 -1.841 -0.000) 2.560 30.268 ( -2.849 1.878 0.000) 3.412 30.293 ( -2.769 1.406 0.000) 3.106 30.953 ( 1.066 -1.710 -0.000) 2.015 ======================= Grid point 69 (59/96) ======================= q-point: ( 0.26 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 23.980 0.206 -1.842) 24.051 3.757 ( -17.055 -0.526 1.287) 17.112 4.347 ( 6.083 -0.418 0.227) 6.101 4.719 ( -10.525 0.596 1.856) 10.704 6.103 ( 11.564 10.130 4.043) 15.897 6.218 ( 9.748 0.366 -4.174) 10.610 6.627 ( 3.389 -1.662 0.456) 3.802 6.797 ( -1.982 -6.371 4.595) 8.102 7.634 ( 23.411 8.667 9.018) 26.542 8.455 ( 7.268 13.602 13.848) 20.727 8.617 ( 10.761 1.194 -19.808) 22.574 8.933 ( 25.016 -22.751 2.438) 33.903 9.644 ( -12.277 3.501 15.486) 20.070 9.795 ( -4.889 -6.125 -14.727) 16.682 10.693 ( 6.400 9.977 -6.761) 13.647 11.070 ( 2.601 23.692 -15.587) 28.479 11.423 ( -12.866 -9.224 14.424) 21.416 11.491 ( 6.620 -5.391 11.608) 14.410 11.866 ( 0.909 -19.806 -1.016) 19.853 12.221 ( -8.480 21.337 6.534) 23.872 12.681 ( -4.206 -21.015 -15.274) 26.318 13.151 ( -2.176 -6.400 10.569) 12.545 13.619 ( 32.617 -0.035 -1.756) 32.664 14.019 ( 16.457 -2.366 -1.992) 16.745 15.211 ( 10.269 -2.318 1.772) 10.676 15.630 ( 4.572 0.669 -0.030) 4.620 15.792 ( 2.412 6.849 -4.651) 8.623 15.997 ( 1.458 0.188 -0.647) 1.606 16.395 ( -0.937 16.795 8.159) 18.695 16.588 ( -1.995 -3.112 -5.141) 6.332 16.788 ( -1.540 -7.014 -3.527) 8.001 16.894 ( -5.672 -7.311 -3.449) 9.875 17.205 ( -1.677 -0.710 4.677) 5.019 17.252 ( -5.546 -2.993 -2.538) 6.794 17.510 ( 14.830 8.126 -3.364) 17.242 17.655 ( -1.907 1.063 4.040) 4.593 17.816 ( 2.011 -4.117 -4.540) 6.451 17.863 ( 1.727 12.471 -0.602) 12.604 18.199 ( -17.570 -2.364 3.413) 18.054 18.384 ( -16.458 5.246 -9.795) 19.857 18.488 ( -3.875 -7.904 6.840) 11.148 18.611 ( -12.410 8.256 -4.897) 15.689 19.105 ( 10.840 0.290 2.743) 11.186 19.327 ( 15.202 -6.078 0.695) 16.387 19.490 ( -3.608 1.865 -1.756) 4.425 19.552 ( -12.753 -1.974 5.202) 13.914 19.885 ( 6.818 11.932 4.575) 14.484 20.021 ( -7.984 -1.492 -3.171) 8.719 20.143 ( -2.553 -10.045 -2.416) 10.642 20.389 ( 12.788 4.487 0.414) 13.559 20.544 ( -0.419 -5.939 -0.030) 5.954 20.601 ( -0.205 -1.657 -1.659) 2.353 20.926 ( -12.624 9.368 4.495) 16.350 21.095 ( -5.719 -0.731 -0.604) 5.797 21.220 ( 0.740 -7.143 -2.035) 7.464 21.414 ( -11.950 -2.273 1.926) 12.316 21.660 ( -3.556 0.058 -2.159) 4.161 21.822 ( 4.557 8.598 3.352) 10.292 21.935 ( -8.636 -5.533 -5.119) 11.463 22.007 ( 5.516 2.611 3.792) 7.185 22.107 ( 8.770 -10.811 -0.442) 13.928 22.384 ( 5.790 -3.319 -1.857) 6.928 22.986 ( 2.096 -0.481 0.097) 2.153 23.066 ( -2.619 0.322 -0.170) 2.645 23.145 ( -5.487 2.352 -0.905) 6.038 23.303 ( -6.755 0.182 0.862) 6.812 23.557 ( -5.703 2.951 -0.039) 6.421 23.682 ( -6.333 3.260 2.611) 7.586 23.874 ( 5.116 0.107 -1.999) 5.493 24.119 ( -1.977 0.173 0.110) 1.988 24.310 ( 2.876 -1.279 0.076) 3.149 24.344 ( 1.272 0.916 -0.402) 1.618 24.406 ( 5.034 2.607 -1.704) 5.919 24.542 ( 1.438 -1.280 3.114) 3.661 24.822 ( -0.127 1.185 -2.378) 2.660 24.845 ( 2.229 -1.285 2.503) 3.590 25.177 ( -0.601 3.298 0.018) 3.353 25.376 ( -5.776 -4.900 1.086) 7.652 26.759 ( -0.333 4.928 -1.183) 5.079 26.942 ( -2.094 -4.125 1.061) 4.747 27.043 ( 1.675 0.648 4.172) 4.542 27.066 ( 1.059 -0.793 -5.205) 5.370 27.139 ( -0.258 -1.018 -0.450) 1.142 27.255 ( -3.626 -0.320 1.585) 3.971 27.889 ( -3.560 2.862 3.160) 5.554 28.004 ( -5.609 -2.807 -3.157) 7.022 28.586 ( -1.260 3.750 0.537) 3.992 28.688 ( -1.378 -4.654 -0.566) 4.887 29.494 ( 4.464 7.811 -0.698) 9.024 29.674 ( 4.090 -6.722 1.179) 7.956 29.905 ( 2.512 1.436 -0.393) 2.920 29.999 ( 0.340 0.948 -0.129) 1.016 30.253 ( 1.316 -0.909 0.819) 1.797 30.268 ( 0.671 -0.816 -0.139) 1.066 30.554 ( 4.620 0.824 -1.200) 4.844 30.757 ( -2.669 -0.889 0.595) 2.875 ======================= Grid point 72 (60/96) ======================= q-point: (-0.15 -0.52 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -22.758 0.000 0.937) 22.777 3.897 ( 14.709 -0.000 -6.611) 16.126 4.368 ( -4.062 0.000 0.785) 4.137 4.832 ( 11.122 -0.000 -8.067) 13.739 5.874 ( -5.668 0.000 -3.038) 6.431 6.109 ( -5.428 0.000 1.086) 5.535 6.725 ( -1.094 0.000 0.187) 1.110 7.149 ( 7.058 -0.000 0.857) 7.110 7.538 ( -17.297 0.000 -12.319) 21.235 8.125 ( -12.830 0.000 0.474) 12.839 8.769 ( 9.752 -0.000 3.512) 10.365 9.405 ( -28.953 0.000 23.667) 37.396 9.613 ( 21.600 -0.000 17.372) 27.719 9.942 ( 24.142 -0.000 -16.150) 29.046 10.105 ( -19.077 0.000 -6.993) 20.319 10.279 ( -22.268 0.000 -1.321) 22.308 11.204 ( -3.701 0.000 -2.933) 4.722 12.280 ( 4.748 -0.000 7.058) 8.506 12.399 ( 13.699 -0.000 -17.577) 22.285 12.574 ( -18.022 0.000 -13.971) 22.803 12.791 ( -21.859 0.000 -1.835) 21.936 13.381 ( 8.655 -0.000 -5.293) 10.146 13.769 ( -6.227 0.000 -7.223) 9.537 14.296 ( -7.472 0.000 5.921) 9.533 15.191 ( -0.076 -0.000 9.016) 9.016 15.445 ( 3.399 -0.000 0.328) 3.415 15.566 ( -7.485 0.000 -3.532) 8.277 15.916 ( 11.549 -0.000 -4.350) 12.341 16.037 ( -10.550 0.000 4.406) 11.433 16.651 ( -8.568 0.000 -0.379) 8.577 16.794 ( 0.429 -0.000 6.937) 6.951 16.986 ( 14.596 -0.000 4.715) 15.339 17.190 ( -2.644 0.000 4.912) 5.578 17.248 ( -3.576 0.000 -2.671) 4.463 17.358 ( 7.980 -0.000 6.032) 10.003 17.413 ( -10.385 0.000 -6.383) 12.190 17.519 ( -3.983 0.000 -4.473) 5.990 17.973 ( 0.236 0.000 -5.211) 5.217 18.064 ( 9.389 -0.000 4.862) 10.573 18.304 ( 8.133 -0.000 -8.447) 11.726 18.342 ( -2.656 0.000 -7.082) 7.564 18.673 ( -7.762 0.000 9.966) 12.632 19.089 ( 10.512 -0.000 15.835) 19.006 19.225 ( -13.235 0.000 8.188) 15.564 19.336 ( -1.209 -0.000 4.249) 4.418 19.676 ( 0.376 -0.000 1.025) 1.092 19.832 ( -21.328 0.000 3.246) 21.574 20.101 ( 4.012 -0.000 3.374) 5.242 20.234 ( -8.093 0.000 4.744) 9.381 20.280 ( 15.255 -0.000 -1.437) 15.323 20.510 ( 12.964 -0.000 1.318) 13.031 20.841 ( 28.380 -0.000 -5.439) 28.896 20.903 ( 4.250 -0.000 5.759) 7.158 20.931 ( -0.019 0.000 -7.551) 7.551 21.282 ( -6.471 0.000 2.350) 6.885 21.566 ( 1.432 -0.000 -2.338) 2.742 21.697 ( -2.442 0.000 -4.022) 4.705 21.768 ( 9.339 -0.000 -9.810) 13.545 21.855 ( -6.355 0.000 -2.736) 6.919 22.389 ( -10.107 0.000 1.248) 10.183 22.492 ( -8.338 0.000 5.411) 9.940 22.501 ( -5.603 0.000 -1.176) 5.726 22.900 ( 1.645 -0.000 -2.301) 2.829 23.022 ( -0.512 0.000 -1.312) 1.409 23.057 ( 3.225 -0.000 -3.349) 4.649 23.116 ( 13.216 -0.000 0.205) 13.218 23.549 ( 12.932 -0.000 1.393) 13.007 23.676 ( 6.307 -0.000 -7.242) 9.603 23.830 ( -4.686 0.000 -4.445) 6.459 24.102 ( -1.956 -0.000 5.930) 6.245 24.158 ( -4.779 0.000 1.873) 5.133 24.314 ( -2.638 0.000 4.559) 5.267 24.386 ( 0.836 -0.000 -0.104) 0.842 24.572 ( -1.534 -0.000 9.556) 9.679 24.737 ( 4.734 -0.000 -1.870) 5.090 24.986 ( -1.627 0.000 -6.077) 6.291 25.044 ( -0.307 -0.000 6.083) 6.091 25.560 ( 9.285 -0.000 -1.265) 9.371 26.626 ( 0.179 0.000 -2.457) 2.464 26.960 ( 2.177 -0.000 4.134) 4.672 27.073 ( -1.438 0.000 0.292) 1.467 27.091 ( 2.852 -0.000 1.548) 3.245 27.148 ( -3.771 0.000 -4.876) 6.164 27.496 ( 4.243 0.000 -12.211) 12.927 27.895 ( 8.052 -0.000 -4.705) 9.326 28.039 ( 0.096 -0.000 0.273) 0.290 28.467 ( 2.661 -0.000 3.103) 4.087 28.780 ( -0.495 -0.000 4.954) 4.979 29.241 ( -2.274 0.000 1.566) 2.761 29.829 ( -4.397 0.000 0.494) 4.425 29.851 ( -5.854 0.000 2.329) 6.300 29.933 ( 0.862 -0.000 0.148) 0.874 30.300 ( 1.055 -0.000 -0.682) 1.256 30.342 ( -0.748 0.000 -2.332) 2.449 30.472 ( -3.782 0.000 1.265) 3.988 30.829 ( 0.492 0.000 -1.909) 1.971 ======================= Grid point 74 (61/96) ======================= q-point: (-0.35 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( -19.903 -4.448 0.000) 20.394 3.782 ( 12.984 8.013 0.000) 15.257 4.389 ( -0.597 -6.518 -0.000) 6.546 4.735 ( 15.309 3.313 -0.000) 15.663 5.812 ( 15.779 -5.973 -0.000) 16.872 6.222 ( 2.116 4.324 0.000) 4.814 6.364 ( 1.955 -8.954 -0.000) 9.165 7.044 ( 3.901 6.489 0.000) 7.571 7.769 ( 53.358 -12.523 -0.000) 54.807 8.136 ( -19.703 -0.471 0.000) 19.709 8.748 ( -24.176 13.333 0.000) 27.609 8.889 ( 20.019 11.419 0.000) 23.047 9.370 ( 2.707 -10.426 -0.000) 10.771 9.453 ( -35.364 -13.811 -0.000) 37.965 10.855 ( -9.359 -5.231 -0.000) 10.722 11.223 ( 57.834 -3.085 -0.000) 57.916 11.346 ( 18.528 -14.921 -0.000) 23.789 11.392 ( -3.170 2.760 0.000) 4.203 12.085 ( -13.857 14.484 0.000) 20.045 12.919 ( -2.341 26.893 0.000) 26.994 13.268 ( 0.491 3.810 0.000) 3.841 13.432 ( -16.453 19.018 0.000) 25.147 14.007 ( 5.559 -1.944 -0.000) 5.889 14.057 ( 4.596 -7.705 -0.000) 8.971 14.716 ( 5.098 -5.886 -0.000) 7.787 15.245 ( -2.697 4.404 0.000) 5.164 15.883 ( -24.729 -6.058 0.000) 25.460 16.174 ( 5.238 -10.545 -0.000) 11.774 16.444 ( 8.548 0.000 -0.000) 8.548 16.621 ( 1.326 -5.711 -0.000) 5.863 16.783 ( -11.094 -4.855 -0.000) 12.110 16.855 ( -5.873 11.257 0.000) 12.697 17.125 ( -12.538 4.954 0.000) 13.481 17.342 ( 6.089 4.057 0.000) 7.317 17.527 ( 1.853 -10.889 -0.000) 11.046 17.596 ( -9.690 -13.123 -0.000) 16.313 18.166 ( -19.560 0.389 0.000) 19.564 18.219 ( 10.393 2.447 -0.000) 10.677 18.348 ( 14.166 4.497 0.000) 14.863 18.367 ( -19.106 3.556 0.000) 19.435 18.523 ( -2.457 -2.358 -0.000) 3.405 18.525 ( 6.043 -2.479 -0.000) 6.532 18.820 ( 2.601 -11.667 -0.000) 11.953 19.018 ( 0.349 1.667 0.000) 1.703 19.137 ( 6.337 -1.050 -0.000) 6.424 19.350 ( -23.103 -7.591 -0.000) 24.318 19.684 ( -5.284 -4.211 -0.000) 6.757 19.888 ( 2.574 7.114 0.000) 7.565 19.975 ( 10.087 -1.833 -0.000) 10.252 20.226 ( -12.289 2.917 0.000) 12.630 20.286 ( 8.591 7.899 0.000) 11.670 20.708 ( -2.001 1.871 0.000) 2.740 20.785 ( 4.455 -5.389 -0.000) 6.992 20.907 ( 7.253 17.953 0.000) 19.363 21.335 ( 3.258 -3.525 -0.000) 4.800 21.675 ( -0.168 1.981 0.000) 1.988 21.715 ( 3.003 3.852 0.000) 4.884 21.839 ( 3.120 -3.529 -0.000) 4.710 22.007 ( 0.509 2.383 0.000) 2.436 22.379 ( 1.382 4.641 0.000) 4.843 22.712 ( 15.496 -1.099 -0.000) 15.535 22.799 ( -9.830 -0.522 0.000) 9.843 22.880 ( -9.978 3.938 0.000) 10.727 22.935 ( 1.257 2.902 0.000) 3.163 23.132 ( 0.191 -1.624 -0.000) 1.635 23.176 ( 2.538 -0.002 -0.000) 2.538 23.292 ( 0.978 -11.465 -0.000) 11.507 23.714 ( 3.102 0.068 -0.000) 3.103 23.891 ( -1.500 -2.030 -0.000) 2.524 23.975 ( -1.405 -2.253 -0.000) 2.656 24.087 ( -2.242 -0.688 -0.000) 2.345 24.306 ( -5.711 6.015 0.000) 8.295 24.326 ( -0.174 -5.535 -0.000) 5.537 24.603 ( 0.303 -1.704 -0.000) 1.731 24.659 ( 0.326 -0.537 -0.000) 0.628 24.801 ( 3.744 -6.948 -0.000) 7.892 24.910 ( 4.289 6.180 0.000) 7.523 25.347 ( 5.477 6.416 0.000) 8.435 26.794 ( -0.594 -1.327 -0.000) 1.454 26.875 ( -1.072 1.367 0.000) 1.737 27.004 ( 1.561 -1.345 -0.000) 2.061 27.011 ( 0.692 -0.909 -0.000) 1.143 27.387 ( -2.863 -3.287 -0.000) 4.359 27.730 ( 8.542 3.768 0.000) 9.336 27.972 ( 1.096 0.740 0.000) 1.322 28.059 ( -5.802 2.289 0.000) 6.238 28.364 ( -0.063 -2.444 -0.000) 2.445 28.546 ( -1.132 2.922 0.000) 3.134 29.302 ( -0.862 -6.647 -0.000) 6.703 29.712 ( 2.436 4.446 0.000) 5.070 29.907 ( -1.219 -2.259 -0.000) 2.566 29.936 ( -0.496 -0.655 -0.000) 0.821 30.277 ( 1.891 -0.355 -0.000) 1.924 30.384 ( 0.539 2.055 0.000) 2.124 30.661 ( -8.534 -1.030 0.000) 8.596 30.782 ( 5.950 1.686 -0.000) 6.185 ======================= Grid point 75 (62/96) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -0.000 -0.082 -0.608) 0.614 4.124 ( -0.000 0.822 -12.614) 12.640 4.403 ( -0.000 0.053 -1.075) 1.076 4.850 ( -0.000 -1.816 -36.037) 36.082 5.306 ( 0.000 11.195 -1.073) 11.246 5.337 ( -0.000 -7.754 -34.406) 35.269 6.480 ( -0.000 -7.071 -37.755) 38.411 6.499 ( -0.000 -11.944 -14.066) 18.453 6.528 ( -0.000 -23.204 -30.986) 38.712 7.429 ( -0.000 -9.860 -19.434) 21.792 8.467 ( 0.000 26.087 45.050) 52.058 8.671 ( 0.000 7.281 16.836) 18.344 9.284 ( -0.000 12.988 -29.189) 31.948 9.755 ( 0.000 -3.341 7.288) 8.017 10.251 ( 0.000 0.318 1.153) 1.196 10.379 ( 0.000 -9.950 26.306) 28.124 10.692 ( -0.000 -31.014 8.673) 32.204 11.830 ( 0.000 20.360 16.593) 26.265 12.503 ( 0.000 1.188 33.464) 33.485 12.668 ( 0.000 -5.615 17.456) 18.337 12.694 ( -0.000 6.682 -10.651) 12.574 12.749 ( -0.000 -0.426 -25.811) 25.815 13.087 ( 0.000 13.203 0.839) 13.230 13.732 ( 0.000 20.686 11.112) 23.482 14.957 ( -0.000 -5.270 -2.122) 5.681 15.393 ( -0.000 -6.099 -5.514) 8.222 15.724 ( -0.000 7.183 -9.481) 11.895 16.342 ( 0.000 9.533 -2.026) 9.746 16.572 ( -0.000 2.174 -5.316) 5.743 16.800 ( 0.000 4.720 2.390) 5.291 16.965 ( 0.000 0.727 4.128) 4.192 17.018 ( -0.000 -3.449 0.149) 3.453 17.100 ( -0.000 -12.155 -0.906) 12.189 17.451 ( -0.000 -7.626 -7.430) 10.647 17.552 ( -0.000 -7.258 -9.046) 11.598 17.766 ( -0.000 1.112 -4.986) 5.108 17.949 ( -0.000 0.722 -0.841) 1.108 18.060 ( 0.000 7.526 -0.957) 7.586 18.098 ( 0.000 5.152 -0.942) 5.238 18.390 ( 0.000 -3.820 10.416) 11.095 18.427 ( -0.000 -16.114 2.792) 16.354 18.731 ( 0.000 -11.188 12.002) 16.408 18.896 ( 0.000 5.201 9.109) 10.489 18.992 ( -0.000 0.569 -14.436) 14.447 19.211 ( -0.000 -2.678 2.205) 3.469 19.228 ( -0.000 0.777 -3.200) 3.293 19.319 ( 0.000 0.266 4.337) 4.345 19.636 ( -0.000 -14.159 6.745) 15.684 20.369 ( -0.000 5.888 -14.441) 15.595 20.570 ( -0.000 -2.803 0.482) 2.844 20.987 ( 0.000 0.856 -0.425) 0.956 20.992 ( 0.000 0.844 7.828) 7.874 21.186 ( -0.000 -6.137 -1.668) 6.360 21.419 ( 0.000 6.761 1.188) 6.864 21.503 ( 0.000 24.332 5.184) 24.878 21.744 ( -0.000 -5.187 2.979) 5.981 21.822 ( 0.000 10.179 6.864) 12.277 21.963 ( 0.000 1.852 0.481) 1.914 22.070 ( 0.000 -3.281 3.157) 4.553 22.268 ( -0.000 -4.157 0.461) 4.182 22.404 ( 0.000 -1.726 7.746) 7.936 22.436 ( 0.000 -1.988 17.106) 17.221 22.771 ( 0.000 7.662 3.088) 8.261 23.076 ( -0.000 -0.388 -4.361) 4.378 23.266 ( -0.000 -0.653 -14.228) 14.243 23.422 ( 0.000 2.043 1.040) 2.293 23.710 ( -0.000 1.259 -9.131) 9.217 23.837 ( 0.000 -5.048 6.007) 7.847 23.909 ( -0.000 -2.323 0.515) 2.379 23.944 ( -0.000 -7.957 -4.434) 9.109 24.079 ( -0.000 0.605 -1.082) 1.240 24.275 ( -0.000 2.655 -10.757) 11.080 24.343 ( -0.000 -1.114 -21.442) 21.471 24.438 ( 0.000 1.431 27.271) 27.308 24.569 ( -0.000 -2.140 -4.408) 4.900 25.106 ( 0.000 0.525 1.114) 1.231 25.298 ( 0.000 -4.528 12.301) 13.108 25.679 ( -0.000 4.583 -18.198) 18.766 26.624 ( -0.000 -0.514 -4.125) 4.157 26.779 ( 0.000 3.977 0.703) 4.039 26.965 ( -0.000 -3.366 -1.734) 3.786 27.190 ( 0.000 1.501 2.304) 2.749 27.333 ( 0.000 -2.415 4.183) 4.830 27.579 ( -0.000 4.149 -6.636) 7.826 28.182 ( -0.000 -0.750 -7.081) 7.121 28.452 ( 0.000 -0.349 7.744) 7.752 28.533 ( -0.000 0.071 -2.354) 2.355 28.670 ( 0.000 0.496 3.071) 3.111 29.136 ( -0.000 -1.839 -0.575) 1.927 29.441 ( 0.000 1.855 1.481) 2.373 29.618 ( -0.000 -4.803 2.816) 5.568 30.047 ( -0.000 5.846 -5.630) 8.116 30.087 ( 0.000 -1.723 2.508) 3.043 30.303 ( -0.000 1.329 -2.144) 2.523 30.371 ( -0.000 -2.088 -2.422) 3.198 30.812 ( 0.000 0.096 2.621) 2.622 ======================= Grid point 76 (63/96) ======================= q-point: (-0.55 0.22 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 23.242 4.069 7.500) 24.759 3.758 ( -16.747 -2.152 1.062) 16.918 4.364 ( 6.559 -0.352 1.899) 6.838 4.658 ( -6.505 -4.793 -3.501) 8.806 5.951 ( 14.663 -13.889 -10.273) 22.659 6.244 ( 8.048 3.688 -2.898) 9.315 6.628 ( 8.110 1.162 -0.030) 8.193 6.705 ( 2.173 -4.358 -3.237) 5.847 7.283 ( 36.378 -14.710 -17.906) 43.132 8.180 ( 20.265 -9.830 -12.291) 25.659 8.936 ( -5.552 -2.638 8.031) 10.113 9.154 ( 3.345 11.253 18.399) 21.825 9.308 ( -12.861 2.135 -12.857) 18.310 10.114 ( -5.825 4.056 12.032) 13.970 10.616 ( 35.947 -5.815 -19.512) 41.312 10.984 ( 15.639 12.300 -12.310) 23.397 11.299 ( -10.227 -18.599 0.259) 21.227 11.412 ( -8.465 -13.798 6.158) 17.320 11.878 ( 0.010 8.980 3.130) 9.510 12.281 ( -17.327 5.663 6.844) 19.471 12.867 ( -1.571 14.027 0.517) 14.124 13.173 ( -5.984 3.582 16.234) 17.668 13.636 ( 26.964 4.458 0.941) 27.346 14.194 ( 7.993 -3.658 9.291) 12.790 15.136 ( 7.942 -0.691 -5.769) 9.840 15.658 ( -7.262 3.465 -12.180) 14.598 15.737 ( 14.890 0.342 7.925) 16.871 16.111 ( 0.224 -3.708 5.118) 6.324 16.244 ( -4.143 -12.239 -2.040) 13.081 16.647 ( -5.755 3.915 1.149) 7.054 16.853 ( -7.715 1.968 2.710) 8.410 17.008 ( 2.639 19.871 2.258) 20.172 17.150 ( 4.991 -4.460 4.321) 7.967 17.316 ( -0.404 1.436 0.571) 1.598 17.485 ( -5.438 -4.187 -6.643) 9.551 17.558 ( 16.948 -0.301 1.168) 16.991 17.869 ( 4.590 -12.056 1.455) 12.982 18.006 ( -3.484 6.500 11.849) 13.957 18.167 ( -19.459 -5.065 0.594) 20.116 18.349 ( -0.556 13.322 -4.291) 14.007 18.667 ( -4.062 -3.058 12.553) 13.544 18.835 ( -14.979 0.369 6.262) 16.239 18.997 ( 12.596 0.556 -5.293) 13.674 19.233 ( 11.537 0.484 -6.999) 13.503 19.349 ( -2.559 -2.316 -6.503) 7.362 19.429 ( -17.787 -3.824 -7.991) 19.871 19.707 ( 6.149 -9.268 -9.745) 14.787 20.053 ( -12.430 -2.328 0.905) 12.678 20.087 ( 1.254 10.357 -5.441) 11.766 20.365 ( 5.137 -2.461 -3.009) 6.442 20.535 ( 5.278 2.082 -1.922) 5.991 20.658 ( -7.356 10.263 -1.695) 12.740 20.881 ( -8.964 -13.687 2.315) 16.524 21.090 ( -6.988 -0.361 -3.234) 7.709 21.289 ( 0.704 7.351 2.538) 7.809 21.360 ( -7.511 3.010 -0.876) 8.139 21.684 ( -2.454 1.064 1.262) 2.958 21.761 ( 3.668 -5.581 -1.034) 6.758 21.983 ( -1.596 -6.269 1.579) 6.659 22.094 ( 6.432 1.269 8.567) 10.788 22.154 ( 5.224 11.491 2.946) 12.962 22.450 ( 7.904 5.665 5.201) 11.028 22.979 ( -0.392 0.348 -1.025) 1.151 23.092 ( 0.358 0.050 2.038) 2.070 23.182 ( -7.354 -1.371 2.745) 7.968 23.270 ( -10.408 -0.588 -2.138) 10.641 23.582 ( -2.530 -3.460 2.345) 4.886 23.614 ( -2.471 -6.148 -3.615) 7.548 23.918 ( 2.528 2.271 1.276) 3.630 24.153 ( -4.773 -0.260 2.991) 5.639 24.248 ( 1.864 -1.306 -5.826) 6.254 24.316 ( 0.637 1.877 -2.974) 3.574 24.426 ( 8.371 0.910 0.523) 8.437 24.539 ( 0.323 -5.596 2.613) 6.185 24.717 ( 3.088 0.306 -5.712) 6.500 24.843 ( -4.572 0.640 -2.751) 5.374 25.150 ( -1.182 -4.846 -2.134) 5.426 25.311 ( -3.267 4.156 -5.030) 7.297 26.801 ( -1.096 -3.003 2.183) 3.871 26.890 ( -0.075 2.782 -2.466) 3.718 26.999 ( 3.207 -1.629 -0.244) 3.605 27.096 ( -2.114 0.284 -2.569) 3.339 27.264 ( 0.499 4.419 9.016) 10.053 27.304 ( -3.561 -2.184 7.154) 8.285 27.846 ( -0.546 -4.398 -0.686) 4.485 28.099 ( -7.409 4.105 4.991) 9.832 28.539 ( -0.814 -3.687 -3.613) 5.226 28.658 ( -2.235 4.613 -3.198) 6.042 29.487 ( 4.315 -7.922 -1.320) 9.117 29.625 ( 4.492 5.955 -3.280) 8.149 29.915 ( 1.506 -0.580 0.669) 1.747 29.986 ( 0.331 -0.669 -1.039) 1.279 30.247 ( 1.911 -0.572 0.117) 1.998 30.284 ( 0.949 0.979 1.246) 1.847 30.573 ( 5.947 1.510 0.565) 6.162 30.770 ( -3.903 -0.294 1.666) 4.254 ======================= Grid point 77 (64/96) ======================= q-point: ( 0.45 -0.28 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -25.272 -3.603 -1.198) 25.555 4.180 ( -2.271 4.756 9.929) 11.242 4.405 ( 4.832 1.612 -2.270) 5.577 4.686 ( -14.996 39.043 0.237) 41.825 5.276 ( -17.953 43.058 15.725) 49.230 5.801 ( 4.467 7.896 3.697) 9.797 6.071 ( -5.919 9.869 8.473) 14.290 6.532 ( -18.871 15.381 8.747) 25.869 6.801 ( -0.762 6.549 7.835) 10.240 7.288 ( -5.742 -7.677 12.237) 15.545 7.802 ( -37.181 58.821 16.679) 71.558 9.053 ( 7.497 -14.269 -12.042) 20.121 9.483 ( 1.691 -13.263 -26.475) 29.660 10.125 ( -11.158 -12.974 -24.517) 29.898 10.214 ( 5.842 -0.848 -2.301) 6.336 10.966 ( 2.443 -13.644 2.369) 14.062 11.376 ( -6.058 -19.265 16.981) 26.386 11.645 ( 10.530 -11.431 15.768) 22.140 11.824 ( -2.200 -18.129 -6.369) 19.341 12.489 ( -2.284 3.167 0.965) 4.022 12.850 ( -9.019 9.634 -6.694) 14.798 12.890 ( -3.479 9.308 2.161) 10.169 13.655 ( -13.828 -6.766 -24.431) 28.877 14.110 ( 8.572 0.966 -31.116) 32.289 15.387 ( 2.111 3.353 -11.008) 11.699 15.692 ( 5.492 9.095 -6.102) 12.252 15.819 ( 10.743 4.517 -3.055) 12.048 16.149 ( 5.657 -16.773 3.220) 17.991 16.207 ( 2.978 3.433 -0.134) 4.547 16.654 ( 5.768 1.730 16.485) 17.550 16.696 ( -4.404 7.007 -3.791) 9.103 17.071 ( -4.153 1.517 10.768) 11.640 17.198 ( -10.777 7.070 2.182) 13.073 17.241 ( 1.657 -0.378 4.451) 4.765 17.449 ( 1.870 -5.573 3.157) 6.673 17.626 ( -3.465 0.525 4.406) 5.630 17.757 ( 3.807 -11.821 -4.751) 13.297 17.917 ( 2.474 -1.351 4.691) 5.473 18.025 ( 1.913 -2.837 11.067) 11.584 18.206 ( -17.708 5.297 -0.193) 18.484 18.428 ( -8.853 0.140 4.954) 10.146 18.551 ( -8.474 -2.357 0.935) 8.845 18.925 ( 7.949 5.709 6.497) 11.747 19.267 ( 1.670 -0.090 -1.077) 1.989 19.337 ( 1.384 -11.552 -2.739) 11.953 19.682 ( 7.872 -9.271 -14.680) 19.064 19.824 ( -0.844 -13.807 -8.989) 16.497 20.119 ( 12.460 7.871 1.390) 14.804 20.421 ( 19.386 -2.611 5.045) 20.201 20.568 ( 3.684 1.652 3.241) 5.178 20.708 ( -4.636 5.481 -11.682) 13.711 20.911 ( -0.571 -3.630 1.957) 4.164 21.097 ( -2.249 -11.727 -0.254) 11.944 21.205 ( 6.883 5.346 -0.098) 8.716 21.276 ( 5.812 -3.055 2.902) 7.179 21.408 ( -4.808 3.443 3.798) 7.029 21.522 ( 5.685 4.912 12.206) 14.333 21.745 ( -6.296 -3.959 -1.678) 7.624 21.882 ( -0.067 -0.295 1.790) 1.816 21.962 ( -3.406 2.810 3.344) 5.539 22.092 ( -9.506 -3.288 9.489) 13.828 22.202 ( 1.042 -1.776 2.265) 3.061 22.700 ( -15.977 -5.014 4.002) 17.217 23.273 ( 5.231 1.293 -3.042) 6.188 23.393 ( -2.861 3.348 4.409) 6.232 23.463 ( 2.821 4.597 -2.356) 5.885 23.587 ( -2.333 -3.408 -0.788) 4.205 23.829 ( 5.609 1.598 -1.974) 6.157 23.890 ( 0.784 -0.613 -0.872) 1.323 24.114 ( 3.805 3.247 2.385) 5.541 24.158 ( -1.061 -1.346 -5.831) 6.078 24.352 ( -4.537 -5.354 -0.858) 7.070 24.392 ( -0.372 4.187 -0.897) 4.298 24.762 ( 5.430 -0.488 -1.732) 5.721 24.819 ( 0.689 4.726 -0.550) 4.808 25.038 ( 0.665 1.906 1.787) 2.696 25.052 ( 11.924 -1.870 -4.696) 12.951 25.951 ( 17.952 11.157 -6.035) 21.981 26.722 ( -5.750 1.174 -1.593) 6.081 26.855 ( -2.918 2.478 -3.148) 4.956 26.985 ( 1.862 1.971 0.965) 2.878 27.134 ( 0.810 -2.694 4.814) 5.576 27.232 ( -2.778 -2.277 -2.076) 4.149 27.702 ( 0.435 5.829 -6.033) 8.401 28.017 ( 5.413 5.036 1.935) 7.643 28.427 ( 0.934 0.918 1.249) 1.810 28.538 ( 3.553 -1.838 0.843) 4.088 28.646 ( 1.601 -5.061 -0.721) 5.357 29.220 ( -4.419 -2.357 0.130) 5.010 29.325 ( -4.746 1.557 4.221) 6.539 29.687 ( -5.315 -5.932 1.085) 8.038 30.008 ( 2.107 0.624 -0.147) 2.203 30.153 ( -4.400 5.035 -1.410) 6.834 30.318 ( -2.178 1.163 2.339) 3.401 30.328 ( 0.091 2.069 -0.501) 2.131 30.890 ( 0.179 -2.161 -2.198) 3.088 ======================= Grid point 82 (65/96) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.000 0.000 -2.580) 2.580 3.289 ( -0.000 0.000 -68.435) 68.435 3.826 ( -0.000 0.000 -82.528) 82.528 4.387 ( -0.000 0.000 -6.848) 6.848 4.397 ( -0.000 0.000 -0.155) 0.155 4.614 ( -0.000 0.000 -76.696) 76.696 5.530 ( -0.000 0.000 -13.604) 13.604 6.084 ( -0.000 0.000 -5.189) 5.189 6.104 ( -0.000 0.000 -13.565) 13.565 6.933 ( -0.000 0.000 -16.414) 16.414 8.637 ( -0.000 0.000 -5.792) 5.792 9.214 ( 0.000 -0.000 5.062) 5.062 9.672 ( 0.000 -0.000 36.671) 36.671 10.152 ( -0.000 0.000 -5.983) 5.983 10.388 ( 0.000 -0.000 5.340) 5.340 10.416 ( 0.000 -0.000 4.509) 4.509 10.662 ( 0.000 -0.000 35.633) 35.633 12.305 ( -0.000 0.000 -14.630) 14.630 12.562 ( -0.000 0.000 -4.380) 4.380 12.707 ( 0.000 -0.000 28.584) 28.584 13.151 ( 0.000 -0.000 30.713) 30.713 13.194 ( -0.000 0.000 -2.240) 2.240 13.351 ( 0.000 -0.000 40.132) 40.132 14.167 ( 0.000 -0.000 12.259) 12.259 14.946 ( 0.000 -0.000 6.002) 6.002 15.204 ( -0.000 0.000 -7.978) 7.978 15.605 ( -0.000 0.000 -8.382) 8.382 16.298 ( -0.000 0.000 -10.093) 10.093 16.499 ( -0.000 0.000 -2.654) 2.654 16.647 ( -0.000 0.000 -15.626) 15.626 16.841 ( -0.000 0.000 -11.169) 11.169 17.042 ( 0.000 -0.000 0.984) 0.984 17.049 ( -0.000 0.000 -0.400) 0.400 17.207 ( -0.000 0.000 -2.239) 2.239 17.388 ( 0.000 -0.000 0.973) 0.973 17.603 ( -0.000 0.000 -25.358) 25.358 17.731 ( 0.000 -0.000 2.082) 2.082 18.046 ( -0.000 0.000 -0.654) 0.654 18.136 ( -0.000 0.000 -2.004) 2.004 18.310 ( 0.000 -0.000 4.667) 4.667 18.324 ( -0.000 0.000 -6.828) 6.828 18.811 ( -0.000 0.000 -8.733) 8.733 18.817 ( -0.000 0.000 -10.168) 10.168 19.176 ( 0.000 -0.000 10.265) 10.265 19.238 ( 0.000 -0.000 3.229) 3.229 19.425 ( 0.000 -0.000 24.775) 24.775 19.653 ( 0.000 -0.000 26.061) 26.061 19.797 ( 0.000 -0.000 19.897) 19.897 20.135 ( -0.000 0.000 -11.587) 11.587 20.504 ( -0.000 0.000 -4.479) 4.479 20.982 ( 0.000 -0.000 0.406) 0.406 21.045 ( -0.000 0.000 -2.334) 2.334 21.243 ( 0.000 -0.000 10.909) 10.909 21.444 ( -0.000 0.000 -6.232) 6.232 21.729 ( 0.000 -0.000 3.307) 3.307 21.802 ( -0.000 0.000 -5.957) 5.957 21.873 ( -0.000 0.000 -12.158) 12.158 22.029 ( -0.000 0.000 -3.676) 3.676 22.135 ( 0.000 -0.000 4.049) 4.049 22.179 ( 0.000 -0.000 0.207) 0.207 22.524 ( 0.000 -0.000 4.547) 4.547 22.654 ( 0.000 -0.000 2.226) 2.226 22.769 ( -0.000 0.000 -22.078) 22.078 23.075 ( 0.000 -0.000 4.077) 4.077 23.089 ( 0.000 -0.000 15.071) 15.071 23.250 ( -0.000 0.000 -19.805) 19.805 23.657 ( 0.000 -0.000 5.949) 5.949 23.774 ( -0.000 0.000 -2.095) 2.095 23.926 ( 0.000 -0.000 3.103) 3.103 23.978 ( 0.000 -0.000 9.242) 9.242 24.013 ( -0.000 0.000 -9.404) 9.404 24.034 ( -0.000 0.000 -10.094) 10.094 24.070 ( -0.000 0.000 -0.299) 0.299 24.476 ( -0.000 0.000 -1.924) 1.924 25.006 ( 0.000 -0.000 23.258) 23.258 25.145 ( 0.000 -0.000 1.351) 1.351 25.365 ( -0.000 0.000 -15.268) 15.268 25.459 ( 0.000 -0.000 8.690) 8.690 26.534 ( -0.000 0.000 -3.876) 3.876 26.797 ( -0.000 0.000 -1.014) 1.014 26.950 ( 0.000 -0.000 2.249) 2.249 27.219 ( -0.000 0.000 -0.970) 0.970 27.394 ( 0.000 -0.000 3.940) 3.940 27.492 ( -0.000 0.000 -5.039) 5.039 28.005 ( -0.000 0.000 -7.478) 7.478 28.451 ( -0.000 0.000 -4.854) 4.854 28.657 ( 0.000 -0.000 10.357) 10.357 28.728 ( 0.000 -0.000 1.387) 1.387 29.096 ( -0.000 0.000 -1.407) 1.407 29.465 ( -0.000 0.000 -1.192) 1.192 29.620 ( 0.000 -0.000 2.227) 2.227 29.990 ( -0.000 0.000 -5.280) 5.280 30.123 ( 0.000 -0.000 2.444) 2.444 30.260 ( -0.000 0.000 -4.767) 4.767 30.271 ( -0.000 0.000 -2.089) 2.089 30.897 ( 0.000 -0.000 4.350) 4.350 ======================= Grid point 83 (66/96) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -19.980 0.000 -1.300) 20.023 3.762 ( 13.507 -0.000 -8.883) 16.166 4.359 ( 1.178 -0.000 3.916) 4.090 4.712 ( 13.691 -0.000 -4.950) 14.558 5.807 ( 13.879 -0.000 3.998) 14.444 6.184 ( -2.195 0.000 -0.598) 2.275 6.506 ( 5.735 -0.000 14.050) 15.176 7.038 ( 6.512 -0.000 -5.701) 8.655 7.618 ( 43.625 -0.000 -1.268) 43.644 8.205 ( -8.196 0.000 6.689) 10.579 8.738 ( 12.055 -0.000 -12.183) 17.139 9.102 ( -21.678 0.000 3.268) 21.923 9.341 ( 8.058 -0.000 12.157) 14.585 9.523 ( -28.663 0.000 19.189) 34.493 10.733 ( -15.471 0.000 -7.826) 17.338 11.035 ( -3.210 0.000 -11.947) 12.371 11.240 ( 19.032 -0.000 1.857) 19.123 11.503 ( 46.465 -0.000 7.071) 47.000 12.180 ( 9.153 -0.000 -6.966) 11.502 13.107 ( -10.386 0.000 -11.732) 15.669 13.170 ( -3.197 0.000 -2.882) 4.304 13.625 ( -10.752 0.000 -8.699) 13.830 13.799 ( 4.457 -0.000 -5.038) 6.727 14.155 ( 2.890 -0.000 8.764) 9.228 14.829 ( 1.027 -0.000 14.305) 14.342 15.472 ( -1.720 -0.000 15.216) 15.313 15.780 ( -25.749 0.000 -5.280) 26.285 15.912 ( 9.461 -0.000 -11.207) 14.666 16.291 ( 6.882 -0.000 -11.518) 13.417 16.618 ( -2.219 -0.000 8.844) 9.118 16.709 ( -2.336 0.000 0.281) 2.353 17.033 ( -7.210 0.000 -8.171) 10.897 17.057 ( -1.463 0.000 0.056) 1.464 17.371 ( -2.849 0.000 0.459) 2.886 17.379 ( -5.852 0.000 -0.087) 5.852 17.580 ( -8.041 0.000 3.657) 8.834 18.060 ( 1.556 0.000 -11.581) 11.685 18.143 ( -15.030 0.000 -12.636) 19.636 18.212 ( 1.200 0.000 -7.814) 7.906 18.301 ( -7.210 0.000 2.691) 7.696 18.626 ( -5.680 0.000 6.461) 8.603 18.719 ( -10.367 0.000 14.620) 17.922 18.885 ( -15.762 0.000 -24.378) 29.029 18.934 ( 15.195 -0.000 14.074) 20.711 19.139 ( -3.050 0.000 5.935) 6.673 19.309 ( 16.696 -0.000 16.671) 23.594 19.727 ( -11.167 0.000 6.485) 12.913 19.918 ( 16.385 -0.000 2.931) 16.645 20.231 ( -11.740 0.000 -3.710) 12.312 20.256 ( -1.114 -0.000 13.877) 13.922 20.343 ( 12.283 -0.000 -2.982) 12.640 20.682 ( 18.963 -0.000 -6.329) 19.992 20.764 ( 1.470 -0.000 5.016) 5.227 20.899 ( -12.544 0.000 -6.089) 13.944 21.434 ( -1.501 -0.000 3.686) 3.980 21.623 ( 0.052 0.000 -3.862) 3.863 21.776 ( 0.331 0.000 -1.002) 1.055 21.854 ( 5.645 -0.000 2.195) 6.057 21.883 ( 2.833 0.000 -12.153) 12.479 22.432 ( 2.755 -0.000 1.762) 3.270 22.642 ( 8.471 -0.000 -4.541) 9.612 22.805 ( -9.508 0.000 -9.283) 13.288 22.817 ( -6.398 0.000 2.373) 6.824 23.023 ( 2.266 -0.000 -5.305) 5.769 23.035 ( -5.482 0.000 4.429) 7.047 23.161 ( -3.572 0.000 -0.773) 3.655 23.214 ( 9.162 -0.000 2.271) 9.439 23.669 ( 5.351 -0.000 -4.075) 6.726 23.983 ( 0.422 0.000 -1.128) 1.205 24.073 ( -5.893 0.000 4.082) 7.169 24.076 ( -2.505 -0.000 15.232) 15.437 24.260 ( 1.772 -0.000 -1.039) 2.054 24.412 ( -2.960 0.000 3.577) 4.643 24.414 ( -1.224 0.000 -6.916) 7.023 24.703 ( 5.725 -0.000 -2.107) 6.100 24.856 ( 0.932 -0.000 10.588) 10.629 24.986 ( 4.018 -0.000 0.978) 4.136 25.421 ( 4.647 -0.000 0.780) 4.712 26.736 ( -2.045 0.000 -3.856) 4.364 26.900 ( -1.110 0.000 1.094) 1.559 27.002 ( 2.566 -0.000 1.242) 2.850 27.030 ( 0.783 -0.000 2.589) 2.705 27.296 ( -1.564 0.000 -4.639) 4.895 27.754 ( -0.265 0.000 -15.347) 15.349 27.775 ( 7.924 -0.000 0.265) 7.928 28.132 ( -5.700 0.000 -0.531) 5.724 28.367 ( -0.126 -0.000 2.748) 2.751 28.657 ( -0.305 -0.000 6.440) 6.448 29.246 ( -0.820 0.000 1.301) 1.538 29.803 ( 2.385 -0.000 3.714) 4.414 29.877 ( -0.681 0.000 0.105) 0.689 29.927 ( -0.469 0.000 -0.217) 0.516 30.276 ( 1.780 -0.000 0.077) 1.782 30.387 ( 0.439 0.000 -1.644) 1.702 30.625 ( -7.677 0.000 -2.328) 8.022 30.798 ( 4.683 -0.000 -0.091) 4.684 ======================= Grid point 84 (67/96) ======================= q-point: (-0.37 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -19.570 -0.532 0.548) 19.585 4.244 ( -0.885 -0.203 -1.024) 1.369 4.368 ( 6.520 0.643 -2.992) 7.202 5.159 ( 5.587 5.797 -3.957) 8.971 5.574 ( -2.493 5.726 -17.068) 18.174 5.806 ( -8.172 4.960 -4.308) 10.486 6.648 ( -0.205 6.777 -1.334) 6.910 7.008 ( -0.715 1.834 -0.404) 2.009 7.328 ( 1.265 18.634 16.664) 25.030 7.597 ( -17.963 1.360 -25.371) 31.116 8.158 ( -10.591 9.028 8.105) 16.105 8.403 ( -25.904 -4.780 2.474) 26.457 9.269 ( -16.630 -21.508 -3.949) 27.472 9.689 ( 1.850 0.586 22.535) 22.618 10.221 ( 5.162 1.130 0.715) 5.332 10.726 ( -12.454 -9.464 1.002) 15.674 10.922 ( 2.099 -11.699 -40.317) 42.032 11.601 ( 2.436 3.530 7.232) 8.408 11.969 ( -10.738 2.267 8.004) 13.583 12.299 ( -2.979 -13.544 15.402) 20.725 13.043 ( -4.013 16.505 -0.620) 16.997 13.143 ( -11.744 3.950 -4.474) 13.174 13.365 ( 2.466 1.445 -27.581) 27.728 13.594 ( -6.014 19.335 0.238) 20.250 15.139 ( -5.420 -4.484 -9.552) 11.862 15.515 ( 3.905 -14.429 -7.206) 16.595 15.666 ( 11.745 6.244 -6.422) 14.770 16.206 ( 11.249 9.160 2.912) 14.796 16.459 ( 14.308 4.901 8.509) 17.353 16.828 ( -6.060 9.705 -4.385) 12.253 16.861 ( 8.477 -1.067 3.777) 9.341 17.100 ( -5.534 -9.222 2.368) 11.013 17.114 ( -6.302 -5.452 -1.002) 8.393 17.342 ( 13.970 -6.539 -3.477) 15.811 17.527 ( 9.851 7.433 4.028) 12.981 17.673 ( 4.474 -6.291 9.534) 12.267 17.803 ( 6.740 -2.820 5.174) 8.952 18.020 ( -11.138 3.488 16.133) 19.912 18.092 ( -7.605 -1.856 -5.296) 9.451 18.349 ( -3.551 3.799 5.822) 7.807 18.402 ( -7.037 -3.529 -0.812) 7.914 18.592 ( -6.532 -4.598 9.424) 12.354 18.944 ( 8.621 -15.201 4.339) 18.006 19.164 ( 20.084 -5.062 -9.474) 22.776 19.186 ( -18.298 1.483 -2.911) 18.587 19.337 ( -12.961 -0.732 -3.328) 13.402 19.462 ( -10.888 -2.811 -2.007) 11.423 20.046 ( -9.866 -2.081 -19.153) 21.645 20.282 ( 25.162 -6.044 5.096) 26.375 20.634 ( -1.512 6.937 -10.504) 12.678 20.776 ( 0.013 2.766 4.728) 5.477 20.893 ( 3.181 -7.561 3.801) 9.040 21.242 ( 2.966 3.878 14.086) 14.908 21.278 ( 7.397 2.472 4.612) 9.060 21.352 ( 0.397 11.738 0.930) 11.781 21.591 ( 2.821 0.781 3.676) 4.699 21.668 ( 0.673 -4.853 4.796) 6.856 21.857 ( 3.953 4.999 6.237) 8.917 21.931 ( -0.943 3.853 5.180) 6.524 22.058 ( -2.262 -0.385 5.881) 6.313 22.228 ( -2.502 -1.324 6.314) 6.919 22.273 ( 0.399 -0.064 2.549) 2.581 22.758 ( -9.298 0.387 6.117) 11.137 23.168 ( 3.843 -2.702 -4.956) 6.828 23.366 ( 5.687 5.608 -8.648) 11.772 23.532 ( -1.129 -0.955 -1.082) 1.833 23.700 ( 5.896 -4.061 -0.070) 7.160 23.758 ( 0.808 2.082 3.051) 3.781 23.912 ( 3.554 -1.576 7.953) 8.853 23.950 ( -2.453 -5.519 0.670) 6.077 24.165 ( -4.624 0.334 -1.679) 4.931 24.196 ( -7.074 -3.797 -3.733) 8.853 24.481 ( -0.682 4.784 -4.241) 6.430 24.621 ( 11.380 1.901 -13.068) 17.433 24.759 ( -1.267 -1.644 -7.286) 7.576 25.022 ( 2.994 0.791 4.016) 5.071 25.078 ( 1.733 -1.505 1.088) 2.540 25.938 ( 9.421 6.167 -11.588) 16.158 26.678 ( -0.098 -1.861 -0.379) 1.901 26.858 ( -5.964 4.539 -2.838) 8.014 27.044 ( -2.289 -4.444 -3.790) 6.273 27.092 ( 3.210 2.897 3.184) 5.370 27.226 ( 2.495 -1.586 2.869) 4.120 27.670 ( 4.123 4.708 -7.455) 9.734 28.147 ( 6.046 3.100 3.293) 7.550 28.302 ( 7.688 -3.806 -5.494) 10.187 28.593 ( -0.429 -1.755 0.517) 1.879 28.646 ( -4.243 1.824 5.470) 7.159 29.169 ( -2.909 -3.208 0.921) 4.428 29.452 ( -6.434 2.305 3.165) 7.532 29.619 ( -4.871 -4.073 1.795) 6.599 30.006 ( 2.082 -0.905 0.989) 2.476 30.206 ( -3.510 4.801 -3.430) 6.865 30.337 ( 0.816 1.452 -1.800) 2.452 30.384 ( -1.210 -0.646 2.382) 2.749 30.808 ( -0.688 -1.150 -1.566) 2.061 ======================= Grid point 86 (68/96) ======================= q-point: ( 0.42 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -27.624 -9.909 -0.000) 29.348 4.111 ( 4.527 5.018 0.000) 6.758 4.347 ( 0.527 0.539 0.000) 0.754 5.244 ( 11.385 21.934 0.000) 24.712 5.387 ( -35.559 36.674 0.000) 51.083 5.766 ( -16.982 9.332 0.000) 19.377 6.281 ( -14.633 8.354 0.000) 16.850 6.603 ( -10.141 8.880 0.000) 13.479 6.865 ( -10.463 10.503 0.000) 14.825 7.334 ( -12.392 -7.538 -0.000) 14.504 8.767 ( -58.147 38.447 0.000) 69.708 9.062 ( 0.657 -13.548 -0.000) 13.563 9.599 ( 5.252 0.977 -0.000) 5.342 9.943 ( 22.712 1.266 -0.000) 22.748 10.496 ( -1.434 -12.079 -0.000) 12.163 10.957 ( 11.345 -21.424 -0.000) 24.242 11.314 ( 3.357 11.806 0.000) 12.274 11.442 ( -19.558 1.149 0.000) 19.592 11.926 ( -2.202 -26.160 -0.000) 26.252 12.420 ( 9.686 31.122 0.000) 32.594 12.858 ( -9.192 -20.506 -0.000) 22.472 13.404 ( -22.867 5.719 0.000) 23.571 14.083 ( -4.180 1.379 0.000) 4.402 14.181 ( 14.101 0.479 -0.000) 14.109 15.236 ( 20.268 11.382 0.000) 23.245 15.387 ( 7.636 6.977 0.000) 10.343 15.790 ( 0.973 -7.396 -0.000) 7.459 16.226 ( 3.035 -11.056 -0.000) 11.465 16.232 ( -10.050 -7.495 -0.000) 12.537 16.607 ( -16.795 -3.606 0.000) 17.177 16.703 ( 3.568 4.929 0.000) 6.085 17.000 ( 14.175 -1.239 -0.000) 14.229 17.285 ( 11.939 -2.935 -0.000) 12.295 17.374 ( -15.608 2.461 0.000) 15.801 17.434 ( -9.771 1.665 0.000) 9.912 17.648 ( -4.224 -0.621 0.000) 4.269 17.700 ( -3.458 -3.070 -0.000) 4.624 17.847 ( -1.145 -9.429 -0.000) 9.499 17.922 ( -0.705 -9.973 -0.000) 9.998 18.455 ( -7.378 3.502 0.000) 8.167 18.572 ( 0.830 1.989 0.000) 2.155 18.785 ( -9.386 -17.448 -0.000) 19.812 18.807 ( -19.348 11.116 0.000) 22.314 19.206 ( 12.655 1.837 -0.000) 12.788 19.296 ( 18.460 8.858 0.000) 20.475 19.368 ( 6.610 -10.866 -0.000) 12.718 19.815 ( 6.388 -8.000 -0.000) 10.237 19.837 ( 13.959 -11.836 -0.000) 18.302 20.126 ( -3.970 -10.214 -0.000) 10.958 20.474 ( 9.979 1.179 -0.000) 10.048 20.523 ( 10.247 2.471 -0.000) 10.541 20.767 ( 13.915 1.843 -0.000) 14.036 21.052 ( 4.399 4.393 0.000) 6.217 21.085 ( 7.156 12.640 0.000) 14.525 21.296 ( -6.580 -5.199 -0.000) 8.386 21.415 ( -3.609 11.812 0.000) 12.351 21.667 ( -7.877 1.227 0.000) 7.972 21.838 ( 0.244 -2.526 -0.000) 2.537 21.981 ( -6.742 -8.453 -0.000) 10.812 22.043 ( -8.463 10.924 0.000) 13.819 22.243 ( -13.450 -0.492 0.000) 13.459 22.283 ( -8.747 -4.688 -0.000) 9.924 22.920 ( -5.923 -2.866 -0.000) 6.580 23.222 ( 2.023 -0.269 -0.000) 2.041 23.381 ( 6.008 4.589 0.000) 7.560 23.428 ( -3.435 3.900 0.000) 5.197 23.667 ( 12.496 2.546 -0.000) 12.752 23.705 ( -2.155 -3.467 -0.000) 4.082 23.820 ( 6.675 -3.074 -0.000) 7.349 23.956 ( -3.406 4.203 0.000) 5.410 24.319 ( -1.800 -9.758 -0.000) 9.922 24.324 ( 4.393 -0.179 -0.000) 4.396 24.361 ( 3.754 -0.455 -0.000) 3.781 24.690 ( 14.817 -0.335 -0.000) 14.821 24.708 ( 0.656 -3.277 -0.000) 3.342 24.888 ( 2.774 13.602 0.000) 13.882 24.990 ( -0.572 -4.252 -0.000) 4.291 25.605 ( 16.818 12.641 0.000) 21.039 26.838 ( -1.649 -1.875 -0.000) 2.497 26.871 ( 1.375 3.099 0.000) 3.390 27.009 ( -0.543 -0.431 -0.000) 0.693 27.035 ( 0.359 1.089 0.000) 1.147 27.337 ( -3.428 -3.559 -0.000) 4.942 27.846 ( -3.424 3.829 0.000) 5.137 27.855 ( 6.443 6.587 0.000) 9.215 28.325 ( 9.433 -1.738 -0.000) 9.591 28.468 ( -0.499 2.094 0.000) 2.152 28.567 ( 5.134 -5.765 -0.000) 7.719 29.302 ( -4.067 -6.330 -0.000) 7.524 29.434 ( -8.756 6.735 0.000) 11.047 29.807 ( -5.795 -5.086 -0.000) 7.711 29.974 ( 1.121 -0.705 -0.000) 1.324 30.260 ( -3.761 5.279 0.000) 6.482 30.319 ( 0.688 1.728 0.000) 1.860 30.386 ( -5.689 -1.711 -0.000) 5.940 30.898 ( 1.434 -0.800 -0.000) 1.642 ======================= Grid point 92 (69/96) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( 10.760 -0.000 -0.000) 10.760 3.682 ( -17.125 0.000 0.000) 17.125 4.115 ( 20.130 -0.000 -0.000) 20.130 4.489 ( 10.131 -0.000 -0.000) 10.131 5.054 ( 48.409 -0.000 -0.000) 48.409 6.170 ( 7.421 -0.000 -0.000) 7.421 6.213 ( 3.993 -0.000 -0.000) 3.993 6.397 ( 54.918 -0.000 -0.000) 54.918 6.973 ( 8.317 -0.000 -0.000) 8.317 8.142 ( 21.677 -0.000 -0.000) 21.677 8.636 ( -11.293 0.000 0.000) 11.293 8.856 ( 85.532 -0.000 -0.000) 85.532 9.684 ( -21.263 0.000 0.000) 21.263 9.703 ( 3.955 -0.000 -0.000) 3.955 9.981 ( -31.255 0.000 0.000) 31.255 11.010 ( -6.161 0.000 0.000) 6.161 11.220 ( -6.224 0.000 0.000) 6.224 11.462 ( 4.040 -0.000 -0.000) 4.040 12.239 ( 3.661 -0.000 -0.000) 3.661 13.334 ( -8.049 0.000 0.000) 8.049 13.365 ( -12.148 0.000 0.000) 12.148 13.793 ( 7.688 -0.000 -0.000) 7.688 13.871 ( -3.480 0.000 0.000) 3.480 13.999 ( 3.091 -0.000 -0.000) 3.091 14.696 ( -5.142 0.000 0.000) 5.142 15.329 ( -4.526 0.000 0.000) 4.526 15.846 ( 8.859 -0.000 -0.000) 8.859 16.182 ( 12.802 -0.000 -0.000) 12.802 16.445 ( -25.183 0.000 0.000) 25.183 16.477 ( 4.938 -0.000 -0.000) 4.938 16.799 ( -1.826 0.000 0.000) 1.826 17.161 ( -0.025 0.000 0.000) 0.025 17.238 ( 9.561 -0.000 -0.000) 9.561 17.281 ( -15.625 0.000 0.000) 15.625 17.493 ( -5.360 0.000 0.000) 5.360 17.778 ( 6.424 -0.000 -0.000) 6.424 17.787 ( 30.227 -0.000 -0.000) 30.227 18.178 ( -10.232 0.000 0.000) 10.232 18.198 ( 18.593 -0.000 -0.000) 18.593 18.382 ( 12.774 -0.000 -0.000) 12.774 18.671 ( -7.856 0.000 0.000) 7.856 18.778 ( -1.611 0.000 0.000) 1.611 18.826 ( -4.359 0.000 0.000) 4.359 19.081 ( -28.471 0.000 0.000) 28.471 19.170 ( -11.055 0.000 0.000) 11.055 19.584 ( -2.078 0.000 0.000) 2.078 19.914 ( -14.741 0.000 0.000) 14.741 19.946 ( -19.584 0.000 0.000) 19.584 20.138 ( -13.258 0.000 0.000) 13.258 20.148 ( 25.460 -0.000 -0.000) 25.460 20.303 ( -0.913 0.000 0.000) 0.913 20.536 ( -5.151 0.000 0.000) 5.151 20.664 ( -0.280 0.000 0.000) 0.280 21.171 ( 8.063 -0.000 -0.000) 8.063 21.246 ( -6.291 0.000 0.000) 6.291 21.628 ( 2.867 -0.000 -0.000) 2.867 21.719 ( 3.733 -0.000 -0.000) 3.733 21.829 ( -4.398 0.000 0.000) 4.398 22.005 ( 1.613 -0.000 -0.000) 1.613 22.314 ( 5.669 -0.000 -0.000) 5.669 22.438 ( 8.199 -0.000 -0.000) 8.199 22.643 ( 12.286 -0.000 -0.000) 12.286 22.998 ( -6.162 0.000 0.000) 6.162 23.119 ( 2.609 -0.000 -0.000) 2.609 23.186 ( 0.734 -0.000 -0.000) 0.734 23.228 ( -6.345 0.000 0.000) 6.345 23.364 ( -19.915 0.000 0.000) 19.915 23.649 ( 1.203 -0.000 -0.000) 1.203 23.873 ( 5.635 -0.000 -0.000) 5.635 23.918 ( -1.209 0.000 0.000) 1.209 24.145 ( 0.062 -0.000 -0.000) 0.062 24.285 ( -3.175 0.000 0.000) 3.175 24.447 ( -0.900 0.000 0.000) 0.900 24.575 ( 5.354 -0.000 -0.000) 5.354 24.605 ( 3.051 -0.000 -0.000) 3.051 24.722 ( -11.110 0.000 0.000) 11.110 24.899 ( 1.594 -0.000 -0.000) 1.594 25.337 ( 1.839 -0.000 -0.000) 1.839 26.800 ( -0.579 0.000 0.000) 0.579 26.923 ( 4.139 -0.000 -0.000) 4.139 26.947 ( -3.809 0.000 0.000) 3.809 26.967 ( 2.254 -0.000 -0.000) 2.254 27.442 ( -6.106 0.000 0.000) 6.106 27.597 ( 5.740 -0.000 -0.000) 5.740 27.956 ( 4.551 -0.000 -0.000) 4.551 28.245 ( -9.334 0.000 0.000) 9.334 28.356 ( -0.875 0.000 0.000) 0.875 28.635 ( -4.963 0.000 0.000) 4.963 29.216 ( 2.330 -0.000 -0.000) 2.330 29.673 ( 5.473 -0.000 -0.000) 5.473 29.858 ( 2.380 -0.000 -0.000) 2.380 29.963 ( -2.641 0.000 0.000) 2.641 30.232 ( 1.887 -0.000 -0.000) 1.887 30.391 ( 0.933 -0.000 -0.000) 0.933 30.634 ( 9.634 -0.000 -0.000) 9.634 30.820 ( -6.789 0.000 0.000) 6.789 ======================= Grid point 93 (70/96) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -21.111 0.000 2.786) 21.294 4.170 ( -3.228 0.000 -8.145) 8.761 4.322 ( 7.663 -0.000 -1.776) 7.866 4.850 ( -0.600 0.000 -24.516) 24.524 5.111 ( -2.328 0.000 -39.259) 39.328 5.820 ( -13.395 0.000 -3.097) 13.748 6.160 ( -11.639 0.000 -42.595) 44.156 6.499 ( -2.720 0.000 -15.222) 15.463 6.748 ( -24.053 0.000 -32.672) 40.571 7.400 ( -5.353 0.000 -19.323) 20.050 8.855 ( -10.578 0.000 -1.336) 10.662 9.010 ( -19.828 0.000 46.184) 50.261 9.507 ( 4.465 0.000 -43.926) 44.152 9.680 ( -12.223 -0.000 56.229) 57.542 10.036 ( 9.107 -0.000 1.722) 9.268 10.243 ( 6.622 -0.000 1.596) 6.811 10.582 ( -17.906 0.000 -2.296) 18.052 12.004 ( 19.159 -0.000 10.606) 21.898 12.140 ( 4.526 -0.000 4.336) 6.268 12.682 ( -6.314 -0.000 27.225) 27.948 12.835 ( -4.868 0.000 -11.766) 12.734 13.223 ( -25.808 0.000 9.837) 27.619 13.279 ( -4.565 0.000 3.272) 5.616 13.979 ( -0.625 -0.000 6.135) 6.167 14.947 ( -5.885 0.000 -2.500) 6.394 15.261 ( 2.517 -0.000 -1.531) 2.946 15.573 ( 17.569 -0.000 -11.902) 21.221 16.308 ( 9.629 -0.000 -1.472) 9.741 16.676 ( 9.533 -0.000 5.700) 11.107 16.730 ( -3.907 0.000 -8.730) 9.564 16.896 ( 7.252 -0.000 -4.778) 8.685 16.976 ( 0.862 -0.000 3.099) 3.217 17.129 ( -5.134 0.000 -2.698) 5.799 17.183 ( 3.155 -0.000 1.705) 3.586 17.380 ( 4.341 -0.000 -4.436) 6.207 17.851 ( 17.577 -0.000 -4.469) 18.137 17.926 ( -1.498 0.000 -6.452) 6.624 18.139 ( 5.136 -0.000 13.665) 14.599 18.151 ( -4.183 0.000 5.876) 7.213 18.265 ( -9.684 0.000 -5.737) 11.256 18.447 ( -15.368 0.000 -7.182) 16.964 18.662 ( -5.245 0.000 9.868) 11.175 18.897 ( 11.499 -0.000 2.013) 11.674 19.025 ( -13.340 0.000 -7.400) 15.255 19.222 ( 10.126 -0.000 19.878) 22.309 19.355 ( -19.921 0.000 -1.307) 19.964 19.557 ( -13.086 0.000 13.562) 18.846 19.621 ( -10.675 0.000 -14.808) 18.255 20.388 ( 15.402 -0.000 6.713) 16.802 20.402 ( 0.752 0.000 -15.475) 15.493 20.823 ( 7.649 -0.000 1.677) 7.830 21.013 ( -0.252 -0.000 10.008) 10.011 21.201 ( -2.882 0.000 -6.146) 6.788 21.519 ( 11.230 -0.000 5.697) 12.592 21.565 ( -4.256 0.000 0.003) 4.256 21.698 ( 10.049 -0.000 5.309) 11.366 21.865 ( 8.129 -0.000 11.157) 13.805 21.926 ( 9.257 -0.000 0.566) 9.274 22.007 ( 0.123 0.000 -2.862) 2.865 22.223 ( -2.198 0.000 -1.678) 2.765 22.291 ( 6.850 -0.000 3.996) 7.930 22.426 ( -3.577 -0.000 16.379) 16.765 22.902 ( -3.132 0.000 5.681) 6.487 23.041 ( 2.371 -0.000 -3.194) 3.977 23.176 ( 5.589 0.000 -13.592) 14.697 23.464 ( 4.040 -0.000 -2.479) 4.740 23.568 ( 2.493 0.000 -8.052) 8.429 23.812 ( -1.662 -0.000 6.297) 6.513 23.889 ( 0.051 -0.000 -0.020) 0.055 24.051 ( -10.638 0.000 -2.457) 10.918 24.117 ( -1.625 0.000 -0.254) 1.644 24.295 ( 2.857 0.000 -16.162) 16.413 24.305 ( 0.247 0.000 -5.610) 5.616 24.409 ( 1.231 -0.000 14.343) 14.396 24.607 ( -4.808 0.000 -5.476) 7.287 25.043 ( 5.663 -0.000 1.589) 5.882 25.199 ( 4.274 -0.000 7.889) 8.973 25.720 ( 1.092 0.000 -14.399) 14.440 26.650 ( -2.283 0.000 -1.169) 2.565 26.873 ( -3.518 0.000 -2.795) 4.493 26.909 ( 0.212 0.000 -1.511) 1.526 27.192 ( 1.720 -0.000 3.217) 3.648 27.276 ( 2.555 -0.000 4.175) 4.895 27.561 ( 5.381 -0.000 -7.022) 8.846 28.088 ( 6.770 -0.000 -8.038) 10.509 28.342 ( 7.156 -0.000 8.907) 11.425 28.555 ( -0.766 0.000 -2.587) 2.698 28.760 ( -4.823 0.000 3.187) 5.780 29.146 ( -2.596 0.000 -0.197) 2.603 29.520 ( -5.647 0.000 0.856) 5.712 29.615 ( -4.156 0.000 2.039) 4.629 30.015 ( 2.772 -0.000 0.090) 2.774 30.185 ( -4.283 0.000 -2.491) 4.955 30.310 ( 0.630 0.000 -2.102) 2.194 30.380 ( -3.185 0.000 -1.654) 3.589 30.810 ( 0.309 -0.000 2.526) 2.545 ======================= Grid point 95 (71/96) ======================= q-point: ( 0.61 -0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -25.489 -3.999 -1.116) 25.825 4.205 ( 6.282 4.010 -0.730) 7.489 4.321 ( 1.141 -1.590 -1.258) 2.327 5.219 ( 7.331 6.915 -13.635) 16.955 5.857 ( -7.404 0.855 -1.148) 7.541 6.027 ( -4.165 7.238 -5.769) 10.149 6.540 ( -7.386 14.263 12.403) 20.293 6.948 ( -13.957 4.281 12.955) 19.518 7.187 ( -2.940 9.942 0.249) 10.371 7.593 ( -18.101 20.973 22.082) 35.427 8.633 ( -8.212 -18.108 -4.494) 20.384 9.011 ( 8.011 -19.248 7.611) 22.194 9.548 ( -36.856 7.386 -19.218) 42.217 9.978 ( 10.355 -1.330 1.183) 10.507 10.133 ( -9.358 -9.117 -7.207) 14.921 10.901 ( 0.388 13.255 -16.627) 21.267 11.213 ( -3.585 4.723 8.353) 10.244 11.379 ( -3.439 -16.422 -3.956) 17.238 12.121 ( -15.355 21.807 13.448) 29.869 12.432 ( -15.769 -14.237 -0.888) 21.264 13.044 ( 4.074 19.885 -0.332) 20.301 13.507 ( -7.450 3.930 -0.721) 8.454 13.841 ( -9.819 0.823 -12.494) 15.912 13.960 ( -2.207 -5.268 -17.135) 18.062 15.321 ( 13.377 -4.818 -2.918) 14.514 15.482 ( 2.968 4.055 -5.439) 7.405 15.690 ( 5.297 -0.284 -1.847) 5.617 15.943 ( 1.734 -1.202 -2.033) 2.930 16.193 ( 2.194 -1.525 -1.787) 3.214 16.542 ( 2.430 -1.370 3.109) 4.177 16.899 ( 0.596 5.629 7.745) 9.592 16.952 ( 8.903 -13.248 5.404) 16.851 17.216 ( 8.312 -3.388 -4.309) 9.957 17.327 ( -6.650 3.220 -2.912) 7.941 17.358 ( -1.432 5.134 -3.891) 6.599 17.575 ( 0.527 -6.989 -5.895) 9.159 17.705 ( 5.285 -4.905 1.689) 7.406 17.873 ( -7.827 1.761 17.031) 18.826 17.952 ( -2.360 -3.685 8.438) 9.505 18.376 ( -3.727 -10.333 0.076) 10.985 18.482 ( 0.043 -6.357 -4.423) 7.745 18.644 ( -1.872 -4.616 10.493) 11.616 18.889 ( -3.439 -4.420 -4.018) 6.893 19.184 ( -4.955 4.007 -12.143) 13.714 19.238 ( 3.679 4.304 5.565) 7.939 19.390 ( 9.742 -0.378 11.129) 14.796 19.570 ( 1.963 -6.327 -1.845) 6.876 19.960 ( -11.802 -5.594 -0.551) 13.072 20.151 ( 14.883 4.473 15.570) 21.999 20.528 ( 6.836 1.958 -0.751) 7.150 20.664 ( 10.945 -1.648 10.511) 15.264 20.825 ( 4.145 1.188 3.926) 5.831 21.074 ( 6.506 -2.911 1.543) 7.292 21.173 ( -5.828 -1.155 -6.514) 8.816 21.213 ( 1.425 8.473 -8.785) 12.288 21.584 ( -3.299 1.716 -1.500) 4.010 21.705 ( -1.809 11.844 0.630) 11.998 21.785 ( -3.212 -1.824 -3.633) 5.181 21.948 ( -3.765 2.651 3.719) 5.919 22.163 ( -9.518 -0.261 -1.097) 9.584 22.202 ( -5.080 0.244 -0.500) 5.111 22.315 ( -7.468 6.365 0.045) 9.813 22.878 ( -9.784 -3.781 3.195) 10.965 23.142 ( 4.421 -4.477 -2.765) 6.872 23.385 ( 10.309 2.974 -7.635) 13.169 23.484 ( 10.830 -2.067 -4.551) 11.928 23.574 ( -4.139 1.647 7.737) 8.928 23.681 ( -3.236 -5.322 0.528) 6.251 23.898 ( 1.593 2.957 0.596) 3.411 24.021 ( 0.179 -7.011 -1.192) 7.114 24.144 ( -0.318 1.273 5.194) 5.357 24.349 ( 4.173 0.043 2.547) 4.889 24.420 ( 15.803 -2.053 -6.824) 17.336 24.456 ( -0.799 -0.302 0.857) 1.209 24.866 ( 2.364 0.444 1.052) 2.626 24.881 ( 0.207 -0.603 2.501) 2.581 25.088 ( 2.977 4.998 -2.624) 6.382 25.780 ( 15.098 7.394 -2.282) 16.966 26.726 ( -0.712 -3.667 -3.385) 5.041 26.953 ( 3.040 3.088 1.593) 4.617 27.013 ( -1.889 1.728 -0.276) 2.575 27.075 ( 1.062 -1.505 2.681) 3.252 27.241 ( -2.210 -1.682 -4.382) 5.188 27.768 ( 3.193 4.722 -10.045) 11.550 28.012 ( 1.876 3.169 1.109) 3.846 28.238 ( 9.964 -2.865 -4.638) 11.358 28.496 ( 4.061 -3.031 3.119) 5.950 28.592 ( -1.910 2.891 5.786) 6.744 29.206 ( -3.282 -5.149 1.636) 6.321 29.575 ( -9.944 3.996 2.807) 11.079 29.729 ( -6.647 -3.138 0.343) 7.359 29.956 ( 1.036 -1.197 0.596) 1.691 30.326 ( -1.471 3.001 -1.919) 3.854 30.344 ( 0.406 1.737 -0.980) 2.036 30.376 ( -3.261 -0.898 1.530) 3.712 30.865 ( -0.405 -0.465 -1.727) 1.834 ======================= Grid point 98 (72/96) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.000 2.625 0.000) 2.625 2.810 ( -0.000 64.679 0.000) 64.679 3.368 ( -0.000 79.113 0.000) 79.113 4.353 ( -0.000 3.514 0.000) 3.514 4.449 ( -0.000 1.690 0.000) 1.690 4.534 ( -0.000 100.234 0.000) 100.234 5.974 ( 0.000 -1.808 -0.000) 1.808 6.212 ( -0.000 11.211 0.000) 11.211 6.220 ( -0.000 4.891 0.000) 4.891 6.792 ( -0.000 9.099 0.000) 9.099 7.260 ( 0.000 -8.418 -0.000) 8.418 9.383 ( 0.000 -9.037 -0.000) 9.037 10.247 ( -0.000 0.249 0.000) 0.249 10.254 ( -0.000 17.885 0.000) 17.885 10.360 ( 0.000 -15.943 -0.000) 15.943 10.781 ( -0.000 7.838 0.000) 7.838 11.769 ( 0.000 -37.862 -0.000) 37.862 12.243 ( -0.000 9.806 0.000) 9.806 12.302 ( -0.000 8.080 0.000) 8.080 12.411 ( 0.000 -40.420 -0.000) 40.420 12.478 ( 0.000 -44.761 -0.000) 44.761 13.071 ( -0.000 2.024 0.000) 2.024 14.045 ( 0.000 -14.036 -0.000) 14.036 14.600 ( -0.000 0.991 0.000) 0.991 15.529 ( -0.000 7.069 0.000) 7.069 15.537 ( -0.000 17.023 0.000) 17.023 15.900 ( -0.000 9.433 0.000) 9.433 16.067 ( -0.000 0.283 0.000) 0.283 16.368 ( -0.000 10.473 0.000) 10.473 16.403 ( -0.000 5.231 0.000) 5.231 16.659 ( -0.000 2.604 0.000) 2.604 16.727 ( -0.000 3.924 0.000) 3.924 17.045 ( 0.000 -26.276 -0.000) 26.276 17.213 ( -0.000 1.132 0.000) 1.132 17.304 ( -0.000 10.107 0.000) 10.107 17.669 ( -0.000 11.373 0.000) 11.373 17.700 ( 0.000 -5.365 -0.000) 5.365 17.920 ( 0.000 -13.328 -0.000) 13.328 18.045 ( 0.000 -1.074 -0.000) 1.074 18.183 ( -0.000 2.957 0.000) 2.957 18.237 ( -0.000 21.391 0.000) 21.391 18.338 ( 0.000 -17.437 -0.000) 17.437 18.772 ( -0.000 13.190 0.000) 13.190 19.242 ( 0.000 -2.800 -0.000) 2.800 19.651 ( 0.000 -0.046 -0.000) 0.046 19.853 ( -0.000 6.323 0.000) 6.323 20.044 ( 0.000 -17.598 -0.000) 17.598 20.365 ( -0.000 2.997 0.000) 2.997 20.643 ( -0.000 0.933 0.000) 0.933 20.860 ( 0.000 -2.759 -0.000) 2.759 20.873 ( -0.000 4.360 0.000) 4.360 20.875 ( -0.000 0.685 0.000) 0.685 20.974 ( 0.000 -3.431 -0.000) 3.431 21.200 ( 0.000 -0.121 -0.000) 0.121 21.376 ( 0.000 -9.441 -0.000) 9.441 21.389 ( 0.000 -1.863 -0.000) 1.863 21.662 ( 0.000 -19.439 -0.000) 19.439 21.716 ( 0.000 -4.387 -0.000) 4.387 21.839 ( 0.000 -0.035 -0.000) 0.035 21.842 ( 0.000 -9.236 -0.000) 9.236 21.940 ( -0.000 3.970 0.000) 3.970 22.289 ( 0.000 -9.844 -0.000) 9.844 22.490 ( 0.000 -5.097 -0.000) 5.097 23.116 ( -0.000 7.950 0.000) 7.950 23.456 ( -0.000 1.298 0.000) 1.298 23.495 ( -0.000 5.250 0.000) 5.250 23.623 ( 0.000 -9.022 -0.000) 9.022 23.812 ( -0.000 0.570 0.000) 0.570 23.840 ( -0.000 9.577 0.000) 9.577 24.161 ( -0.000 1.742 0.000) 1.742 24.181 ( -0.000 3.993 0.000) 3.993 24.249 ( -0.000 3.566 0.000) 3.566 24.451 ( 0.000 -1.728 -0.000) 1.728 24.597 ( -0.000 19.383 0.000) 19.383 24.815 ( 0.000 -5.550 -0.000) 5.550 25.020 ( 0.000 -5.032 -0.000) 5.032 25.378 ( 0.000 -2.913 -0.000) 2.913 26.083 ( -0.000 13.087 0.000) 13.087 26.526 ( -0.000 3.796 0.000) 3.796 26.817 ( -0.000 3.013 0.000) 3.013 26.996 ( -0.000 4.482 0.000) 4.482 27.092 ( 0.000 -3.671 -0.000) 3.671 27.258 ( 0.000 -4.861 -0.000) 4.861 27.636 ( -0.000 4.966 0.000) 4.966 27.955 ( -0.000 5.823 0.000) 5.823 28.334 ( -0.000 1.118 0.000) 1.118 28.655 ( 0.000 -3.138 -0.000) 3.138 28.823 ( 0.000 -5.538 -0.000) 5.538 29.126 ( -0.000 3.310 0.000) 3.310 29.296 ( 0.000 -4.255 -0.000) 4.255 29.723 ( 0.000 -5.956 -0.000) 5.956 29.909 ( -0.000 10.203 0.000) 10.203 30.116 ( 0.000 -3.519 -0.000) 3.519 30.208 ( -0.000 2.392 0.000) 2.392 30.286 ( -0.000 3.216 0.000) 3.216 30.964 ( 0.000 -2.032 -0.000) 2.032 ======================= Grid point 99 (73/96) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 0.000 4.717 -0.000) 4.717 3.406 ( -0.000 -4.856 0.000) 4.856 4.505 ( 0.000 0.101 -0.000) 0.101 4.510 ( -0.000 -0.507 0.000) 0.507 6.229 ( 0.000 9.414 0.000) 9.414 6.305 ( -0.000 2.067 -0.000) 2.067 6.689 ( 0.000 -1.206 -0.000) 1.206 6.756 ( -0.000 -8.385 -0.000) 8.385 8.065 ( 0.000 15.547 0.000) 15.547 8.305 ( -0.000 -9.357 -0.000) 9.357 8.852 ( -0.000 17.937 -0.000) 17.937 9.200 ( -0.000 -16.270 -0.000) 16.270 9.559 ( -0.000 2.867 -0.000) 2.867 9.698 ( 0.000 -11.408 -0.000) 11.408 10.757 ( -0.000 26.432 -0.000) 26.432 11.057 ( -0.000 17.518 -0.000) 17.518 11.217 ( -0.000 -18.222 -0.000) 18.222 11.516 ( 0.000 -25.894 -0.000) 25.894 11.993 ( -0.000 15.453 0.000) 15.453 12.113 ( 0.000 -8.903 -0.000) 8.903 12.713 ( -0.000 1.563 -0.000) 1.563 13.033 ( 0.000 -23.266 -0.000) 23.266 14.078 ( -0.000 7.219 -0.000) 7.219 14.147 ( 0.000 -1.458 -0.000) 1.458 15.421 ( -0.000 1.636 -0.000) 1.636 15.474 ( -0.000 -2.604 -0.000) 2.604 15.954 ( -0.000 11.250 -0.000) 11.250 16.150 ( -0.000 1.219 -0.000) 1.219 16.321 ( -0.000 17.107 -0.000) 17.107 16.526 ( -0.000 7.482 -0.000) 7.482 16.718 ( -0.000 -7.304 0.000) 7.304 16.937 ( -0.000 -30.232 -0.000) 30.232 17.147 ( -0.000 1.897 0.000) 1.897 17.198 ( -0.000 -3.093 -0.000) 3.093 17.623 ( -0.000 3.643 0.000) 3.643 17.656 ( 0.000 -0.769 -0.000) 0.769 17.752 ( -0.000 17.169 -0.000) 17.169 17.917 ( -0.000 -0.663 -0.000) 0.663 18.118 ( -0.000 8.224 -0.000) 8.224 18.227 ( 0.000 -3.523 -0.000) 3.523 18.303 ( -0.000 6.394 0.000) 6.394 18.486 ( -0.000 -13.363 -0.000) 13.363 19.131 ( -0.000 15.530 -0.000) 15.530 19.381 ( -0.000 -3.010 -0.000) 3.010 19.454 ( -0.000 -2.478 0.000) 2.478 19.586 ( -0.000 -18.652 -0.000) 18.652 19.916 ( -0.000 11.221 -0.000) 11.221 20.092 ( -0.000 -5.607 0.000) 5.607 20.205 ( 0.000 1.730 0.000) 1.730 20.257 ( -0.000 -4.393 -0.000) 4.393 20.583 ( -0.000 6.219 -0.000) 6.219 20.671 ( -0.000 -4.240 -0.000) 4.240 20.709 ( 0.000 18.036 -0.000) 18.036 21.037 ( -0.000 -7.625 -0.000) 7.625 21.238 ( -0.000 -4.123 -0.000) 4.123 21.298 ( -0.000 -5.173 -0.000) 5.173 21.629 ( -0.000 5.405 -0.000) 5.405 21.763 ( -0.000 -8.191 -0.000) 8.191 21.942 ( -0.000 5.081 -0.000) 5.081 22.067 ( -0.000 -2.221 0.000) 2.221 22.307 ( -0.000 -1.988 -0.000) 1.988 22.390 ( -0.000 -7.189 -0.000) 7.189 22.976 ( -0.000 2.629 -0.000) 2.629 23.025 ( -0.000 -2.235 -0.000) 2.235 23.098 ( -0.000 4.976 -0.000) 4.976 23.196 ( -0.000 -4.947 -0.000) 4.947 23.550 ( -0.000 6.513 -0.000) 6.513 23.574 ( -0.000 2.841 -0.000) 2.841 23.989 ( -0.000 2.839 -0.000) 2.839 24.043 ( -0.000 -3.236 -0.000) 3.236 24.333 ( -0.000 0.455 0.000) 0.455 24.356 ( -0.000 -1.696 -0.000) 1.696 24.470 ( -0.000 6.216 -0.000) 6.216 24.568 ( -0.000 -3.821 -0.000) 3.821 24.819 ( -0.000 2.424 -0.000) 2.424 24.869 ( -0.000 -2.668 -0.000) 2.668 25.189 ( -0.000 4.393 -0.000) 4.393 25.292 ( -0.000 -5.935 -0.000) 5.935 26.755 ( -0.000 7.311 -0.000) 7.311 26.901 ( -0.000 -7.223 -0.000) 7.223 27.064 ( -0.000 0.417 -0.000) 0.417 27.072 ( 0.000 -0.441 -0.000) 0.441 27.184 ( 0.000 0.067 -0.000) 0.067 27.190 ( -0.000 -0.736 0.000) 0.736 27.852 ( -0.000 4.434 -0.000) 4.434 27.939 ( -0.000 -4.409 -0.000) 4.409 28.573 ( -0.000 4.518 -0.000) 4.518 28.670 ( -0.000 -5.524 -0.000) 5.524 29.544 ( -0.000 9.446 0.000) 9.446 29.715 ( -0.000 -8.098 -0.000) 8.098 29.956 ( -0.000 2.069 -0.000) 2.069 29.979 ( -0.000 -0.252 0.000) 0.252 30.265 ( -0.000 -0.090 0.000) 0.090 30.277 ( -0.000 -1.369 -0.000) 1.369 30.628 ( -0.000 4.072 -0.000) 4.072 30.707 ( -0.000 -3.946 -0.000) 3.946 ======================= Grid point 103 (74/96) ======================= q-point: (-0.21 -0.46 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -24.303 0.000 1.150) 24.330 4.178 ( 11.699 -0.000 -4.632) 12.583 4.292 ( -3.094 0.000 -0.468) 3.129 5.036 ( 8.166 -0.000 -9.728) 12.701 5.718 ( -7.306 0.000 -11.971) 14.024 5.985 ( -5.885 0.000 0.259) 5.891 6.711 ( -0.201 0.000 -3.850) 3.855 7.165 ( -14.318 0.000 -12.305) 18.879 7.260 ( 3.743 -0.000 -1.931) 4.212 7.926 ( -6.140 0.000 -9.852) 11.609 8.788 ( -27.747 0.000 22.256) 35.570 9.026 ( 14.760 -0.000 7.773) 16.682 9.412 ( -40.971 0.000 20.562) 45.841 9.680 ( -27.903 0.000 -13.193) 30.865 10.054 ( 11.181 -0.000 -0.042) 11.181 10.505 ( 21.332 -0.000 -19.296) 28.765 11.039 ( -13.864 0.000 -7.234) 15.638 11.952 ( -12.190 0.000 26.123) 28.827 12.050 ( -20.792 0.000 -14.970) 25.621 12.606 ( -15.179 0.000 3.839) 15.657 12.843 ( 22.780 -0.000 -21.998) 31.668 13.493 ( -1.860 0.000 -11.338) 11.490 13.533 ( -14.137 0.000 -1.748) 14.245 14.023 ( -14.582 0.000 8.891) 17.079 15.176 ( 4.195 -0.000 0.226) 4.201 15.303 ( -13.845 0.000 -9.966) 17.059 15.585 ( 6.122 -0.000 -9.053) 10.929 16.041 ( 9.017 -0.000 4.816) 10.222 16.192 ( 14.566 -0.000 6.426) 15.921 16.622 ( 6.971 -0.000 3.479) 7.791 16.845 ( 4.911 -0.000 -0.564) 4.943 17.099 ( -3.191 0.000 0.617) 3.250 17.115 ( 0.564 -0.000 -0.438) 0.714 17.328 ( -5.252 0.000 -0.502) 5.276 17.392 ( 12.358 -0.000 0.270) 12.361 17.467 ( 0.103 0.000 -3.241) 3.243 17.571 ( 9.821 -0.000 5.049) 11.043 18.131 ( 4.928 -0.000 3.252) 5.905 18.153 ( -1.426 -0.000 5.689) 5.865 18.388 ( 13.136 -0.000 11.087) 17.189 18.413 ( -5.480 0.000 6.928) 8.833 18.642 ( 13.238 -0.000 -5.606) 14.376 18.807 ( -15.247 0.000 7.798) 17.125 19.034 ( -23.079 0.000 -7.787) 24.357 19.492 ( 12.239 -0.000 4.287) 12.968 19.532 ( -9.002 0.000 11.384) 14.514 19.682 ( 3.085 -0.000 9.491) 9.980 19.838 ( -22.186 0.000 -1.660) 22.248 20.117 ( 0.587 0.000 -17.639) 17.649 20.708 ( 16.821 -0.000 12.901) 21.198 20.711 ( 4.064 -0.000 -0.273) 4.073 20.857 ( -7.625 0.000 -18.649) 20.148 21.077 ( 10.133 -0.000 12.050) 15.745 21.134 ( 1.518 -0.000 5.402) 5.611 21.354 ( 14.112 -0.000 11.217) 18.027 21.560 ( 0.104 0.000 -1.255) 1.259 21.661 ( -4.874 0.000 -1.869) 5.220 21.795 ( 4.359 -0.000 -6.150) 7.538 22.005 ( 10.128 -0.000 -6.514) 12.042 22.183 ( -8.310 0.000 5.525) 9.979 22.308 ( -9.434 0.000 8.912) 12.978 22.365 ( -5.815 0.000 -2.203) 6.219 22.916 ( -6.620 0.000 3.027) 7.279 22.998 ( 6.635 -0.000 -3.122) 7.333 23.201 ( 10.575 -0.000 -8.769) 13.738 23.425 ( 12.019 -0.000 -3.377) 12.484 23.632 ( -6.299 0.000 0.824) 6.352 23.769 ( 7.926 -0.000 5.089) 9.419 23.813 ( -1.823 0.000 -3.626) 4.058 24.023 ( -7.252 0.000 5.326) 8.997 24.205 ( 8.255 -0.000 -6.073) 10.249 24.254 ( -3.339 0.000 3.357) 4.734 24.385 ( 2.940 -0.000 -1.526) 3.312 24.541 ( -1.156 0.000 1.088) 1.587 24.800 ( -0.480 0.000 -0.515) 0.704 24.977 ( 2.771 0.000 -10.112) 10.485 25.032 ( -0.686 -0.000 6.492) 6.528 25.781 ( 11.041 -0.000 -4.569) 11.949 26.641 ( 0.949 -0.000 -0.528) 1.086 27.022 ( -3.476 0.000 -1.842) 3.934 27.037 ( 4.598 -0.000 3.374) 5.703 27.057 ( -4.298 0.000 -4.497) 6.221 27.152 ( 2.690 -0.000 0.899) 2.836 27.606 ( 5.888 -0.000 -10.068) 11.664 28.077 ( 8.819 -0.000 -6.770) 11.118 28.080 ( 3.667 -0.000 3.535) 5.093 28.533 ( 3.166 -0.000 2.214) 3.863 28.753 ( -2.444 0.000 5.292) 5.829 29.187 ( -2.748 0.000 1.684) 3.223 29.670 ( -10.189 0.000 1.942) 10.373 29.708 ( -6.662 0.000 0.761) 6.705 29.958 ( 1.510 -0.000 0.643) 1.641 30.308 ( -1.561 0.000 -2.610) 3.041 30.330 ( 0.846 -0.000 -1.816) 2.004 30.412 ( -2.223 0.000 2.808) 3.582 30.820 ( -1.049 0.000 -1.945) 2.210 ======================= Grid point 105 (75/96) ======================= q-point: ( 0.59 -0.59 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -23.059 -5.400 0.000) 23.683 4.036 ( 11.023 5.999 0.000) 12.549 4.351 ( -2.244 -2.878 -0.000) 3.649 5.090 ( 17.773 4.480 -0.000) 18.329 5.950 ( -0.519 -1.842 -0.000) 1.914 6.220 ( -2.698 9.519 0.000) 9.894 6.402 ( 2.073 -5.300 -0.000) 5.691 7.071 ( -2.742 10.980 0.000) 11.317 7.709 ( -19.562 20.739 0.000) 28.509 7.751 ( -40.593 0.461 0.000) 40.596 8.885 ( -9.691 -17.134 -0.000) 19.685 8.886 ( -6.422 -14.318 -0.000) 15.692 9.146 ( 41.444 -2.102 -0.000) 41.498 9.816 ( 18.716 -5.827 -0.000) 19.602 10.637 ( -9.077 -7.651 -0.000) 11.871 11.386 ( 7.300 6.965 0.000) 10.090 11.414 ( 2.700 -15.112 -0.000) 15.351 11.466 ( -45.127 26.167 0.000) 52.165 12.067 ( 5.088 15.029 0.000) 15.867 12.822 ( -10.733 9.948 0.000) 14.634 13.081 ( -11.815 24.682 0.000) 27.364 13.464 ( 12.933 -1.592 -0.000) 13.031 14.061 ( -0.161 -3.872 -0.000) 3.875 14.115 ( -0.341 -10.370 -0.000) 10.375 15.085 ( 28.379 -5.607 -0.000) 28.927 15.185 ( -0.788 10.342 0.000) 10.372 15.581 ( -2.474 -11.927 -0.000) 12.181 16.201 ( -1.824 2.103 0.000) 2.783 16.290 ( -16.512 0.990 0.000) 16.542 16.641 ( 1.288 -9.671 -0.000) 9.756 16.643 ( -3.941 -12.183 -0.000) 12.805 16.814 ( -0.561 6.294 0.000) 6.319 17.061 ( 9.712 4.717 0.000) 10.797 17.351 ( -2.846 -4.353 -0.000) 5.201 17.556 ( 3.609 -12.556 -0.000) 13.064 17.620 ( 4.685 0.635 -0.000) 4.728 17.869 ( -10.491 -4.467 -0.000) 11.403 17.956 ( -18.461 -1.356 0.000) 18.511 17.994 ( -17.361 0.621 0.000) 17.372 18.440 ( -7.104 -10.548 -0.000) 12.717 18.518 ( 7.636 3.230 0.000) 8.291 18.807 ( -19.383 -8.270 -0.000) 21.074 18.827 ( 11.221 3.643 0.000) 11.797 19.017 ( 5.163 -1.270 -0.000) 5.317 19.029 ( 9.904 -7.051 -0.000) 12.157 19.406 ( 13.507 0.144 -0.000) 13.508 19.633 ( -4.096 -3.274 -0.000) 5.244 19.818 ( -20.916 7.252 0.000) 22.137 20.092 ( 0.078 -1.948 -0.000) 1.950 20.114 ( 16.659 -0.814 -0.000) 16.679 20.566 ( 15.378 8.264 0.000) 17.458 20.592 ( -3.806 6.433 0.000) 7.475 20.897 ( 5.921 -6.061 -0.000) 8.473 21.185 ( 12.115 13.767 0.000) 18.338 21.339 ( -2.217 -2.263 -0.000) 3.168 21.662 ( -1.366 3.296 0.000) 3.568 21.783 ( 3.550 5.116 0.000) 6.227 21.852 ( -3.093 0.167 0.000) 3.098 21.982 ( -3.659 -0.697 0.000) 3.725 22.345 ( -5.206 4.480 0.000) 6.868 22.483 ( -15.334 -1.777 0.000) 15.437 22.585 ( -13.295 5.480 0.000) 14.381 22.952 ( -0.735 0.968 0.000) 1.216 23.157 ( 19.851 -0.902 -0.000) 19.871 23.164 ( -2.022 -5.911 -0.000) 6.247 23.318 ( 11.751 2.553 -0.000) 12.025 23.441 ( 13.482 -7.186 -0.000) 15.277 23.711 ( -4.885 3.960 0.000) 6.288 23.823 ( -9.485 -2.931 -0.000) 9.927 23.955 ( 10.592 -5.597 -0.000) 11.980 24.111 ( 1.466 -6.578 -0.000) 6.739 24.178 ( -5.602 4.499 0.000) 7.185 24.342 ( 1.884 0.439 -0.000) 1.935 24.621 ( 1.312 -3.124 -0.000) 3.388 24.640 ( -1.575 0.439 0.000) 1.635 24.890 ( 3.713 -3.048 -0.000) 4.804 25.009 ( 4.981 7.210 0.000) 8.763 25.520 ( 10.874 7.386 0.000) 13.145 26.783 ( -0.384 -2.880 -0.000) 2.906 26.881 ( 1.735 1.842 0.000) 2.531 27.020 ( 0.271 -0.124 -0.000) 0.298 27.025 ( 0.530 -0.865 -0.000) 1.014 27.342 ( -1.955 -1.940 -0.000) 2.754 27.877 ( 4.193 6.481 0.000) 7.719 27.972 ( -2.811 2.784 0.000) 3.956 28.062 ( 9.165 -3.025 -0.000) 9.651 28.387 ( 2.423 -3.608 -0.000) 4.346 28.539 ( -0.160 3.310 0.000) 3.314 29.255 ( -3.142 -6.128 -0.000) 6.886 29.700 ( -4.124 4.563 0.000) 6.151 29.847 ( -4.433 -2.265 -0.000) 4.978 29.936 ( 0.371 -0.985 -0.000) 1.053 30.313 ( 1.609 0.374 -0.000) 1.652 30.384 ( -0.641 2.529 0.000) 2.609 30.484 ( -7.634 -1.686 0.000) 7.818 30.867 ( 2.219 0.934 0.000) 2.407 ======================= Grid point 108 (76/96) ======================= q-point: ( 0.38 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 1.041 1.584) 1.895 4.131 ( 0.000 13.221 19.784) 23.795 4.464 ( -0.000 1.504 -1.633) 2.220 4.523 ( 0.000 38.189 0.553) 38.193 5.064 ( 0.000 55.202 22.428) 59.584 5.892 ( 0.000 10.709 5.372) 11.981 6.043 ( 0.000 8.651 8.982) 12.470 6.193 ( 0.000 12.229 -0.076) 12.229 6.796 ( 0.000 9.454 10.458) 14.098 7.223 ( 0.000 -5.778 8.157) 9.996 7.469 ( 0.000 58.238 19.196) 61.320 9.202 ( -0.000 -4.019 0.671) 4.075 9.418 ( -0.000 -20.867 -45.338) 49.909 10.030 ( -0.000 -14.278 -34.803) 37.618 10.261 ( -0.000 -0.569 -0.431) 0.714 10.959 ( -0.000 -29.857 8.093) 30.935 11.299 ( 0.000 -12.094 25.415) 28.145 11.755 ( -0.000 -27.784 2.962) 27.941 11.851 ( -0.000 -19.316 6.762) 20.465 12.472 ( 0.000 5.477 0.824) 5.539 12.561 ( 0.000 21.288 0.633) 21.297 13.068 ( -0.000 2.846 -5.594) 6.276 13.446 ( -0.000 -6.927 -31.479) 32.232 14.214 ( -0.000 2.724 -34.450) 34.557 15.381 ( -0.000 0.280 -13.704) 13.707 15.737 ( -0.000 6.319 -9.700) 11.577 15.967 ( 0.000 18.214 -3.845) 18.616 16.204 ( -0.000 -21.292 -1.881) 21.375 16.348 ( 0.000 5.837 11.018) 12.469 16.605 ( 0.000 4.795 -0.277) 4.803 16.754 ( 0.000 0.760 12.249) 12.273 17.019 ( 0.000 2.762 13.437) 13.718 17.045 ( 0.000 11.477 12.555) 17.010 17.262 ( 0.000 -0.986 4.575) 4.680 17.442 ( 0.000 -5.650 5.971) 8.221 17.570 ( 0.000 -1.000 3.312) 3.459 17.842 ( -0.000 -10.625 -5.683) 12.049 17.874 ( 0.000 -0.221 6.548) 6.552 18.044 ( 0.000 4.124 -3.514) 5.418 18.148 ( 0.000 2.854 16.997) 17.235 18.211 ( -0.000 -0.591 -1.198) 1.336 18.483 ( -0.000 -4.198 1.576) 4.485 19.028 ( 0.000 12.817 -0.353) 12.822 19.245 ( 0.000 -0.359 3.395) 3.414 19.379 ( -0.000 -22.846 -2.104) 22.943 19.606 ( -0.000 -13.252 -11.323) 17.430 20.032 ( -0.000 3.040 -3.318) 4.499 20.262 ( -0.000 -0.333 -31.672) 31.674 20.474 ( 0.000 1.760 4.057) 4.423 20.519 ( 0.000 7.076 -5.120) 8.734 20.853 ( -0.000 2.798 -2.828) 3.978 20.999 ( -0.000 -9.424 -4.560) 10.469 21.014 ( 0.000 -2.809 6.297) 6.895 21.240 ( 0.000 -5.929 7.615) 9.651 21.323 ( -0.000 1.822 -2.867) 3.397 21.355 ( 0.000 0.361 14.925) 14.929 21.666 ( -0.000 -1.801 -2.127) 2.787 21.672 ( 0.000 -1.742 12.427) 12.549 21.867 ( 0.000 -1.726 5.281) 5.556 21.901 ( 0.000 -5.261 18.396) 19.134 21.970 ( -0.000 0.118 -1.372) 1.377 22.327 ( 0.000 -0.622 12.002) 12.018 22.384 ( -0.000 -4.469 -0.907) 4.560 23.314 ( 0.000 4.493 6.244) 7.692 23.387 ( -0.000 -0.591 -5.803) 5.833 23.496 ( -0.000 -3.611 3.332) 4.913 23.542 ( 0.000 3.225 -2.885) 4.327 23.853 ( 0.000 1.324 1.387) 1.918 23.954 ( -0.000 4.386 -5.462) 7.005 24.147 ( -0.000 0.885 -3.479) 3.590 24.167 ( -0.000 1.013 -5.731) 5.820 24.283 ( -0.000 -5.814 -1.911) 6.120 24.387 ( 0.000 5.287 -0.290) 5.295 24.792 ( -0.000 5.995 -7.579) 9.664 24.834 ( 0.000 -4.388 10.308) 11.203 25.041 ( 0.000 4.442 2.774) 5.237 25.215 ( -0.000 -1.457 -11.876) 11.965 26.201 ( -0.000 10.649 -10.949) 15.274 26.614 ( 0.000 4.103 0.943) 4.209 26.823 ( -0.000 0.574 -4.719) 4.753 27.008 ( 0.000 2.053 2.192) 3.003 27.127 ( -0.000 -4.750 2.911) 5.571 27.206 ( 0.000 -0.048 1.567) 1.567 27.703 ( 0.000 6.106 -3.570) 7.073 28.094 ( 0.000 5.761 1.791) 6.033 28.406 ( 0.000 1.367 4.298) 4.510 28.614 ( -0.000 -2.418 1.174) 2.688 28.645 ( -0.000 -6.169 -5.256) 8.104 29.166 ( -0.000 -0.401 -0.248) 0.472 29.279 ( 0.000 -1.023 4.386) 4.503 29.625 ( -0.000 -5.910 1.555) 6.111 30.057 ( -0.000 -3.476 1.115) 3.650 30.078 ( 0.000 9.671 -2.762) 10.058 30.289 ( 0.000 1.790 3.458) 3.894 30.335 ( 0.000 2.781 -1.034) 2.967 30.891 ( -0.000 -2.707 -2.285) 3.543 ======================= Grid point 114 (77/96) ======================= q-point: (-0.23 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -23.131 0.000 -0.674) 23.141 4.036 ( 12.318 -0.000 -6.010) 13.706 4.336 ( -2.369 0.000 1.864) 3.014 5.021 ( 14.545 -0.000 -9.054) 17.133 5.934 ( 0.016 0.000 -1.276) 1.277 6.122 ( -2.914 0.000 -4.799) 5.615 6.606 ( 4.179 -0.000 11.227) 11.980 7.153 ( 4.570 -0.000 -1.755) 4.896 7.716 ( -29.751 0.000 -5.622) 30.278 8.042 ( -4.541 0.000 5.404) 7.059 8.707 ( -3.576 0.000 1.895) 4.047 8.919 ( -28.406 0.000 20.773) 35.191 9.259 ( 30.201 -0.000 13.638) 33.138 9.861 ( 21.918 -0.000 8.649) 23.563 10.385 ( -18.010 0.000 -15.089) 23.496 10.882 ( -1.287 0.000 -37.849) 37.871 11.262 ( -1.066 0.000 -2.660) 2.866 11.918 ( -30.778 0.000 15.934) 34.658 12.474 ( 22.318 -0.000 8.537) 23.895 12.856 ( -28.029 0.000 -2.945) 28.183 13.061 ( 3.931 0.000 -22.207) 22.552 13.578 ( 8.037 -0.000 -9.036) 12.093 13.870 ( -3.256 0.000 -1.068) 3.426 14.090 ( -8.113 0.000 10.800) 13.508 15.044 ( 16.488 -0.000 3.556) 16.867 15.388 ( -3.149 0.000 3.498) 4.707 15.523 ( 5.187 -0.000 7.508) 9.126 16.106 ( 6.747 -0.000 -11.018) 12.920 16.125 ( -15.047 0.000 -12.732) 19.711 16.595 ( 3.886 -0.000 9.915) 10.649 16.675 ( -17.813 0.000 2.583) 17.999 16.848 ( 8.459 -0.000 3.410) 9.121 17.119 ( 3.335 -0.000 2.126) 3.955 17.291 ( 1.096 -0.000 -0.126) 1.103 17.352 ( 6.249 -0.000 -6.199) 8.803 17.579 ( -0.885 0.000 -1.033) 1.360 17.670 ( -18.475 0.000 -16.291) 24.632 17.944 ( -0.315 -0.000 8.198) 8.204 18.094 ( -13.433 0.000 -1.673) 13.536 18.403 ( -6.164 0.000 5.411) 8.202 18.550 ( -12.197 0.000 -12.345) 17.354 18.595 ( 10.852 -0.000 -11.334) 15.691 18.716 ( 3.423 -0.000 15.823) 16.189 19.080 ( -1.300 -0.000 6.610) 6.737 19.205 ( 10.068 -0.000 8.807) 13.376 19.590 ( 0.070 -0.000 14.907) 14.907 19.627 ( -3.180 0.000 2.561) 4.083 19.931 ( -5.340 0.000 4.798) 7.179 20.121 ( -1.618 -0.000 5.232) 5.477 20.336 ( 12.587 -0.000 15.011) 19.590 20.519 ( 1.107 0.000 -9.693) 9.755 20.800 ( 1.651 -0.000 2.498) 2.994 20.834 ( 9.218 -0.000 8.396) 12.469 21.052 ( 13.337 -0.000 -13.561) 19.021 21.384 ( -3.321 0.000 -4.897) 5.917 21.613 ( -1.037 0.000 -2.725) 2.915 21.787 ( 0.511 0.000 -4.220) 4.250 21.908 ( -0.236 0.000 -1.198) 1.221 21.949 ( 2.690 -0.000 -5.150) 5.811 22.370 ( -9.715 0.000 0.185) 9.717 22.455 ( -13.965 0.000 -0.583) 13.977 22.568 ( -8.634 0.000 -5.591) 10.286 22.954 ( 1.803 -0.000 -2.569) 3.139 23.045 ( -6.735 0.000 -0.335) 6.743 23.117 ( 19.748 -0.000 -1.455) 19.802 23.171 ( 8.823 -0.000 -7.660) 11.684 23.488 ( 12.477 -0.000 4.284) 13.192 23.756 ( -1.848 0.000 -2.217) 2.886 23.958 ( -2.630 0.000 2.150) 3.397 23.992 ( -4.713 -0.000 15.337) 16.045 24.001 ( 6.677 -0.000 -2.198) 7.029 24.229 ( -4.539 0.000 1.128) 4.678 24.401 ( 2.337 -0.000 4.719) 5.265 24.416 ( 0.004 0.000 -5.022) 5.022 24.816 ( 4.454 -0.000 -3.893) 5.916 24.864 ( -0.130 -0.000 10.919) 10.920 25.067 ( 3.627 -0.000 -1.851) 4.072 25.583 ( 10.560 -0.000 -0.925) 10.601 26.702 ( -1.135 0.000 -3.974) 4.133 26.912 ( 2.387 -0.000 1.035) 2.601 27.040 ( 1.117 -0.000 2.262) 2.523 27.042 ( 0.289 -0.000 1.939) 1.961 27.267 ( -1.552 0.000 -5.078) 5.309 27.764 ( 1.588 0.000 -12.792) 12.890 27.979 ( 10.882 -0.000 -3.022) 11.294 28.049 ( -2.097 0.000 -0.045) 2.097 28.390 ( 2.441 -0.000 3.578) 4.332 28.655 ( -0.374 -0.000 6.251) 6.262 29.207 ( -2.605 0.000 1.538) 3.025 29.785 ( -4.624 0.000 3.226) 5.639 29.823 ( -4.459 0.000 0.107) 4.460 29.928 ( 0.452 -0.000 0.218) 0.502 30.312 ( 1.713 -0.000 -0.454) 1.772 30.389 ( -0.326 0.000 -1.856) 1.885 30.464 ( -6.639 0.000 -0.180) 6.642 30.863 ( 1.304 -0.000 -1.270) 1.820 ======================= Grid point 115 (78/96) ======================= q-point: (-0.43 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 0.248 0.980) 1.011 4.233 ( -0.000 -0.837 -1.267) 1.519 4.440 ( -0.000 0.536 -2.311) 2.372 5.226 ( 0.000 9.808 -2.163) 10.044 5.637 ( -0.000 2.470 -3.470) 4.259 5.644 ( -0.000 13.482 -26.344) 29.593 6.649 ( 0.000 6.419 -2.156) 6.771 7.056 ( -0.000 2.273 -10.067) 10.321 7.123 ( 0.000 35.392 11.607) 37.247 7.573 ( 0.000 -6.322 25.528) 26.299 8.020 ( -0.000 -15.306 -30.402) 34.037 8.081 ( 0.000 1.186 4.052) 4.222 9.050 ( -0.000 -26.188 3.281) 26.392 9.834 ( 0.000 31.197 17.314) 35.680 10.231 ( -0.000 -2.927 0.837) 3.044 10.490 ( -0.000 -29.122 9.878) 30.752 11.013 ( -0.000 -2.360 -59.749) 59.796 11.636 ( 0.000 0.063 1.045) 1.047 11.823 ( 0.000 -1.662 31.606) 31.650 12.310 ( -0.000 -20.444 15.863) 25.877 12.917 ( -0.000 7.326 -9.044) 11.639 12.988 ( 0.000 8.100 -0.914) 8.151 13.484 ( 0.000 22.022 10.382) 24.347 13.510 ( -0.000 5.918 -36.894) 37.366 15.082 ( -0.000 -3.887 -10.012) 10.740 15.539 ( -0.000 -10.625 -9.029) 13.943 15.849 ( 0.000 3.668 -1.785) 4.079 16.369 ( 0.000 16.480 -0.324) 16.483 16.683 ( 0.000 5.261 -3.484) 6.310 16.708 ( 0.000 8.513 6.339) 10.614 16.855 ( 0.000 -2.759 4.171) 5.001 17.058 ( -0.000 -4.885 -3.605) 6.071 17.074 ( -0.000 -11.480 3.576) 12.024 17.569 ( -0.000 -5.095 -3.487) 6.174 17.726 ( 0.000 8.217 15.997) 17.985 17.761 ( 0.000 1.092 22.008) 22.035 17.814 ( -0.000 -0.675 -14.423) 14.439 17.834 ( 0.000 1.824 11.774) 11.915 17.974 ( 0.000 1.156 0.870) 1.447 18.157 ( 0.000 -5.531 6.046) 8.194 18.421 ( -0.000 -6.951 1.563) 7.125 18.561 ( 0.000 -2.864 16.294) 16.543 18.913 ( -0.000 -10.813 -17.631) 20.682 19.062 ( -0.000 -16.941 9.363) 19.356 19.196 ( 0.000 6.944 -3.991) 8.009 19.306 ( 0.000 0.879 0.254) 0.915 19.598 ( -0.000 -0.757 -29.590) 29.600 19.718 ( -0.000 -7.581 -10.900) 13.278 20.545 ( -0.000 -2.668 0.772) 2.777 20.652 ( -0.000 8.551 -11.290) 14.162 20.813 ( 0.000 -5.072 7.397) 8.969 20.991 ( 0.000 0.909 -0.006) 0.910 21.233 ( -0.000 -3.670 -0.172) 3.674 21.279 ( 0.000 15.012 14.951) 21.187 21.383 ( 0.000 6.601 3.677) 7.556 21.634 ( 0.000 -3.606 9.617) 10.271 21.693 ( 0.000 3.838 4.218) 5.703 21.867 ( 0.000 -0.181 8.488) 8.490 21.962 ( 0.000 -0.425 5.665) 5.681 22.045 ( 0.000 -3.261 12.813) 13.221 22.178 ( 0.000 -2.776 14.410) 14.675 22.287 ( -0.000 -2.900 -1.745) 3.384 22.629 ( 0.000 6.027 10.087) 11.750 23.214 ( -0.000 -3.031 -6.478) 7.152 23.393 ( 0.000 0.655 1.187) 1.355 23.537 ( -0.000 6.268 -8.134) 10.269 23.763 ( 0.000 4.941 9.522) 10.728 23.795 ( -0.000 -6.327 -4.685) 7.873 23.943 ( 0.000 -0.975 12.116) 12.155 23.991 ( -0.000 -2.362 -6.857) 7.253 24.047 ( -0.000 -7.793 -5.224) 9.381 24.114 ( -0.000 0.651 -2.165) 2.261 24.474 ( -0.000 5.167 -6.174) 8.051 24.688 ( -0.000 0.900 -6.763) 6.822 24.806 ( -0.000 -0.871 -20.237) 20.255 25.045 ( 0.000 -2.857 11.094) 11.456 25.111 ( -0.000 1.818 -2.172) 2.833 26.054 ( -0.000 5.452 -17.478) 18.309 26.676 ( -0.000 -1.064 -0.155) 1.075 26.780 ( 0.000 5.360 -1.823) 5.661 27.016 ( -0.000 -4.796 -2.555) 5.434 27.129 ( 0.000 2.889 3.271) 4.364 27.254 ( 0.000 -1.886 3.363) 3.856 27.715 ( -0.000 4.900 -6.186) 7.892 28.234 ( 0.000 3.771 2.581) 4.570 28.415 ( -0.000 -5.210 -4.909) 7.158 28.532 ( 0.000 1.885 3.277) 3.781 28.604 ( 0.000 -1.761 2.205) 2.822 29.136 ( -0.000 -2.083 0.520) 2.147 29.383 ( 0.000 1.488 3.869) 4.145 29.565 ( -0.000 -4.171 2.243) 4.736 30.037 ( 0.000 -2.087 2.225) 3.051 30.158 ( 0.000 6.651 -4.860) 8.237 30.346 ( -0.000 1.538 -1.902) 2.446 30.371 ( 0.000 -0.715 2.144) 2.260 30.800 ( -0.000 -1.451 -1.270) 1.928 ======================= Grid point 117 (79/96) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -27.347 -4.921 0.000) 27.786 4.018 ( -12.562 16.798 0.000) 20.976 4.427 ( 4.745 1.906 0.000) 5.114 4.724 ( -20.529 34.041 0.000) 39.752 5.105 ( -22.798 55.852 0.000) 60.325 5.643 ( 7.230 10.304 0.000) 12.587 6.051 ( -7.454 8.577 0.000) 11.363 6.445 ( -4.817 5.661 0.000) 7.433 6.694 ( -9.081 7.348 0.000) 11.681 7.185 ( -3.601 -2.917 -0.000) 4.634 7.636 ( -36.767 63.931 0.000) 73.749 9.128 ( 4.421 -13.035 -0.000) 13.764 9.878 ( 13.599 -14.662 -0.000) 19.997 10.211 ( 5.548 0.359 -0.000) 5.560 10.474 ( 1.631 -11.256 -0.000) 11.374 11.009 ( -15.733 6.322 0.000) 16.955 11.200 ( -13.790 -10.988 -0.000) 17.632 11.277 ( 12.626 -41.456 -0.000) 43.336 11.884 ( -1.587 -27.715 -0.000) 27.760 12.483 ( -1.515 9.976 0.000) 10.090 12.847 ( -24.500 12.355 0.000) 27.439 12.939 ( 13.670 2.365 -0.000) 13.873 13.951 ( -7.271 -6.828 -0.000) 9.974 14.483 ( 12.678 1.054 -0.000) 12.722 15.572 ( 7.444 6.648 0.000) 9.980 15.680 ( 15.324 13.965 0.000) 20.733 15.923 ( 12.687 -5.733 -0.000) 13.923 16.066 ( -3.937 2.525 0.000) 4.677 16.253 ( -3.922 -13.065 -0.000) 13.641 16.405 ( 2.400 3.392 0.000) 4.156 16.783 ( 3.440 4.579 0.000) 5.727 16.932 ( -19.290 1.003 0.000) 19.316 17.155 ( -16.543 8.915 0.000) 18.792 17.172 ( 3.625 -2.600 -0.000) 4.462 17.400 ( 0.494 -6.332 -0.000) 6.351 17.635 ( -0.620 -3.324 -0.000) 3.381 17.784 ( 6.276 4.657 0.000) 7.815 17.866 ( -6.157 -3.016 -0.000) 6.856 17.882 ( 4.309 -16.582 -0.000) 17.132 18.166 ( -12.599 6.735 0.000) 14.287 18.427 ( -12.307 -0.465 0.000) 12.316 18.538 ( -4.915 7.180 0.000) 8.701 18.848 ( 11.576 0.388 -0.000) 11.583 19.233 ( -2.455 1.882 0.000) 3.093 19.426 ( -0.862 -19.074 -0.000) 19.094 19.883 ( -9.160 -6.914 -0.000) 11.477 19.895 ( 16.625 3.964 -0.000) 17.091 20.149 ( 31.260 -3.724 -0.000) 31.481 20.277 ( 18.518 -13.251 -0.000) 22.770 20.519 ( -0.159 1.646 0.000) 1.654 20.770 ( 9.024 -2.056 -0.000) 9.255 20.959 ( 1.199 -0.426 -0.000) 1.273 21.082 ( -1.071 1.506 0.000) 1.848 21.208 ( 0.147 -6.233 -0.000) 6.234 21.278 ( 0.305 6.718 0.000) 6.725 21.344 ( 5.477 10.106 0.000) 11.495 21.509 ( -6.220 -1.607 0.000) 6.424 21.700 ( -14.022 -2.758 0.000) 14.291 21.818 ( -7.221 -7.531 -0.000) 10.433 21.904 ( -5.085 2.479 0.000) 5.657 22.030 ( -3.120 5.683 0.000) 6.484 22.165 ( -3.113 -5.673 -0.000) 6.471 22.654 ( -16.988 -6.305 -0.000) 18.120 23.287 ( -4.892 4.583 0.000) 6.703 23.329 ( 6.505 -1.225 -0.000) 6.619 23.523 ( 3.816 2.558 0.000) 4.594 23.595 ( -6.035 -5.868 -0.000) 8.417 23.849 ( 1.268 3.276 0.000) 3.513 23.952 ( 5.586 7.206 0.000) 9.117 24.036 ( 10.537 1.178 -0.000) 10.603 24.295 ( -3.333 2.823 0.000) 4.368 24.299 ( -0.302 -5.750 -0.000) 5.758 24.399 ( -0.319 -1.815 -0.000) 1.843 24.711 ( -0.226 -4.528 -0.000) 4.534 24.919 ( 1.428 15.005 0.000) 15.073 24.970 ( -0.977 -2.080 -0.000) 2.298 25.124 ( 18.777 -1.441 -0.000) 18.833 26.015 ( 20.741 11.532 0.000) 23.732 26.745 ( -7.121 2.024 0.000) 7.403 26.890 ( 0.394 4.181 0.000) 4.199 26.997 ( -0.903 -4.185 -0.000) 4.281 27.054 ( 1.227 2.365 0.000) 2.665 27.256 ( -4.104 -2.684 -0.000) 4.904 27.775 ( -2.962 5.426 0.000) 6.182 27.996 ( 6.423 6.098 0.000) 8.857 28.396 ( -2.266 2.044 0.000) 3.052 28.532 ( 5.802 -2.427 -0.000) 6.289 28.663 ( 3.632 -6.491 -0.000) 7.438 29.231 ( -2.507 -5.450 -0.000) 5.999 29.263 ( -6.453 4.592 0.000) 7.920 29.676 ( -5.717 -5.846 -0.000) 8.177 30.007 ( 2.083 -0.693 -0.000) 2.195 30.173 ( -4.217 6.730 0.000) 7.942 30.287 ( -3.388 0.540 0.000) 3.431 30.338 ( 0.668 2.534 0.000) 2.621 30.914 ( 0.264 -2.336 -0.000) 2.351 ======================= Grid point 123 (80/96) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( -20.530 0.000 0.000) 20.530 3.872 ( 11.229 -0.000 -0.000) 11.229 4.314 ( 2.661 -0.000 -0.000) 2.661 4.768 ( 16.005 -0.000 -0.000) 16.005 5.751 ( 18.899 -0.000 -0.000) 18.899 6.266 ( 3.017 -0.000 -0.000) 3.017 6.275 ( 2.321 -0.000 -0.000) 2.321 7.106 ( 4.768 -0.000 -0.000) 4.768 7.631 ( 54.757 -0.000 -0.000) 54.757 8.128 ( -11.807 0.000 0.000) 11.807 9.009 ( -19.036 0.000 0.000) 19.036 9.069 ( 39.183 -0.000 -0.000) 39.183 9.184 ( -40.794 0.000 0.000) 40.794 9.200 ( -24.208 0.000 0.000) 24.208 10.816 ( -11.534 0.000 0.000) 11.534 11.186 ( 65.234 -0.000 -0.000) 65.234 11.212 ( 19.084 -0.000 -0.000) 19.084 11.414 ( -5.352 0.000 0.000) 5.352 12.227 ( -8.196 0.000 0.000) 8.196 13.207 ( -5.821 0.000 0.000) 5.821 13.298 ( 4.703 -0.000 -0.000) 4.703 13.758 ( -10.976 0.000 0.000) 10.976 13.863 ( 0.296 -0.000 -0.000) 0.296 13.999 ( -1.968 0.000 0.000) 1.968 14.657 ( 3.972 -0.000 -0.000) 3.972 15.276 ( 1.742 -0.000 -0.000) 1.742 15.838 ( -28.839 0.000 0.000) 28.839 16.062 ( 9.721 -0.000 -0.000) 9.721 16.465 ( 11.071 -0.000 -0.000) 11.071 16.500 ( -3.059 0.000 0.000) 3.059 16.684 ( -8.737 0.000 0.000) 8.737 17.060 ( -3.583 0.000 0.000) 3.583 17.161 ( -3.464 0.000 0.000) 3.464 17.392 ( -4.329 0.000 0.000) 4.329 17.418 ( -22.971 0.000 0.000) 22.971 17.443 ( 9.133 -0.000 -0.000) 9.133 18.149 ( -26.560 0.000 0.000) 26.560 18.242 ( 11.779 -0.000 -0.000) 11.779 18.410 ( -23.734 0.000 0.000) 23.734 18.424 ( 22.189 -0.000 -0.000) 22.189 18.470 ( -9.342 0.000 0.000) 9.342 18.487 ( -0.930 0.000 0.000) 0.930 18.695 ( 11.823 -0.000 -0.000) 11.823 19.036 ( 0.964 -0.000 -0.000) 0.964 19.163 ( 10.806 -0.000 -0.000) 10.806 19.268 ( -27.188 0.000 0.000) 27.188 19.642 ( -5.985 0.000 0.000) 5.985 19.956 ( 11.514 -0.000 -0.000) 11.514 19.961 ( -3.262 0.000 0.000) 3.262 20.254 ( -12.194 0.000 0.000) 12.194 20.385 ( 10.010 -0.000 -0.000) 10.010 20.689 ( 9.724 -0.000 -0.000) 9.724 20.709 ( 3.653 -0.000 -0.000) 3.653 21.119 ( 0.356 -0.000 -0.000) 0.356 21.301 ( 3.439 -0.000 -0.000) 3.439 21.658 ( 0.394 -0.000 -0.000) 0.394 21.801 ( 3.874 -0.000 -0.000) 3.874 21.824 ( 2.642 -0.000 -0.000) 2.642 22.037 ( 0.796 -0.000 -0.000) 0.796 22.408 ( 2.627 -0.000 -0.000) 2.627 22.701 ( 16.365 -0.000 -0.000) 16.365 22.796 ( -12.028 0.000 0.000) 12.028 22.920 ( -1.759 0.000 0.000) 1.759 22.969 ( -2.426 0.000 0.000) 2.426 23.112 ( -2.010 0.000 0.000) 2.010 23.166 ( -2.927 0.000 0.000) 2.927 23.176 ( 4.219 -0.000 -0.000) 4.219 23.707 ( 4.635 -0.000 -0.000) 4.635 23.875 ( -3.505 0.000 0.000) 3.505 23.951 ( -0.573 0.000 0.000) 0.573 24.067 ( -5.033 0.000 0.000) 5.033 24.282 ( 2.529 -0.000 -0.000) 2.529 24.371 ( -5.925 0.000 0.000) 5.925 24.587 ( -2.255 0.000 0.000) 2.255 24.648 ( 0.884 -0.000 -0.000) 0.884 24.730 ( 7.470 -0.000 -0.000) 7.470 24.971 ( 4.716 -0.000 -0.000) 4.716 25.411 ( 5.951 -0.000 -0.000) 5.951 26.779 ( -1.378 0.000 0.000) 1.378 26.891 ( -1.236 0.000 0.000) 1.236 26.987 ( 2.053 -0.000 -0.000) 2.053 27.001 ( 1.059 -0.000 -0.000) 1.059 27.356 ( -2.244 0.000 0.000) 2.244 27.764 ( 10.157 -0.000 -0.000) 10.157 27.984 ( -1.044 0.000 0.000) 1.044 28.084 ( -5.703 0.000 0.000) 5.703 28.338 ( -0.495 0.000 0.000) 0.495 28.578 ( -0.661 0.000 0.000) 0.661 29.231 ( -0.907 0.000 0.000) 0.907 29.761 ( 2.370 -0.000 -0.000) 2.370 29.877 ( -0.735 0.000 0.000) 0.735 29.929 ( -0.722 0.000 0.000) 0.722 30.275 ( 2.062 -0.000 -0.000) 2.062 30.405 ( 0.477 -0.000 -0.000) 0.477 30.651 ( -8.988 0.000 0.000) 8.988 30.799 ( 5.871 -0.000 -0.000) 5.871 ======================= Grid point 124 (81/96) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -0.000 0.000 -0.751) 0.751 4.132 ( -0.000 0.000 -11.654) 11.654 4.404 ( -0.000 0.000 -1.334) 1.334 4.836 ( -0.000 0.000 -32.177) 32.177 5.250 ( -0.000 0.000 -44.662) 44.662 5.509 ( -0.000 0.000 -20.351) 20.351 6.048 ( -0.000 0.000 -41.529) 41.529 6.413 ( -0.000 0.000 -35.736) 35.736 6.491 ( -0.000 0.000 -16.248) 16.248 7.357 ( -0.000 0.000 -17.158) 17.158 8.750 ( 0.000 -0.000 0.929) 0.929 8.776 ( 0.000 -0.000 47.139) 47.139 9.550 ( 0.000 -0.000 69.279) 69.279 9.595 ( -0.000 0.000 -51.844) 51.844 10.225 ( -0.000 0.000 -1.163) 1.163 10.277 ( 0.000 -0.000 8.698) 8.698 10.318 ( 0.000 -0.000 2.186) 2.186 12.195 ( 0.000 -0.000 18.847) 18.847 12.489 ( 0.000 -0.000 32.145) 32.145 12.492 ( 0.000 -0.000 30.820) 30.820 12.739 ( -0.000 0.000 -25.527) 25.527 12.764 ( -0.000 0.000 -3.312) 3.312 13.247 ( -0.000 0.000 -4.068) 4.068 13.979 ( 0.000 -0.000 9.469) 9.469 14.906 ( -0.000 0.000 -2.144) 2.144 15.285 ( -0.000 0.000 -2.780) 2.780 15.835 ( -0.000 0.000 -9.838) 9.838 16.466 ( -0.000 0.000 -5.757) 5.757 16.596 ( -0.000 0.000 -6.613) 6.613 16.816 ( -0.000 0.000 -2.158) 2.158 16.969 ( -0.000 0.000 -1.372) 1.372 16.977 ( 0.000 -0.000 6.400) 6.400 17.019 ( 0.000 -0.000 0.472) 0.472 17.343 ( -0.000 0.000 -9.595) 9.595 17.460 ( -0.000 0.000 -7.619) 7.619 17.775 ( -0.000 0.000 -6.116) 6.116 17.940 ( -0.000 0.000 -5.423) 5.423 18.192 ( 0.000 -0.000 8.287) 8.287 18.208 ( 0.000 -0.000 0.282) 0.282 18.210 ( -0.000 0.000 -15.159) 15.159 18.291 ( 0.000 -0.000 12.749) 12.749 18.578 ( 0.000 -0.000 23.007) 23.007 18.937 ( 0.000 -0.000 12.386) 12.386 19.000 ( -0.000 0.000 -14.189) 14.189 19.246 ( -0.000 0.000 -4.949) 4.949 19.316 ( 0.000 -0.000 4.709) 4.709 19.365 ( 0.000 -0.000 21.213) 21.213 19.365 ( -0.000 0.000 -11.856) 11.856 20.427 ( -0.000 0.000 -15.672) 15.672 20.537 ( 0.000 -0.000 1.371) 1.371 20.986 ( -0.000 0.000 -0.306) 0.306 21.003 ( 0.000 -0.000 11.924) 11.924 21.124 ( -0.000 0.000 -5.002) 5.002 21.515 ( -0.000 0.000 -0.206) 0.206 21.631 ( 0.000 -0.000 5.771) 5.771 21.880 ( -0.000 0.000 -1.772) 1.772 21.945 ( 0.000 -0.000 12.010) 12.010 21.947 ( 0.000 -0.000 11.846) 11.846 21.998 ( -0.000 0.000 -0.944) 0.944 22.199 ( -0.000 0.000 -2.013) 2.013 22.390 ( 0.000 -0.000 8.562) 8.562 22.415 ( 0.000 -0.000 21.148) 21.148 22.867 ( 0.000 -0.000 6.159) 6.159 23.064 ( -0.000 0.000 -5.083) 5.083 23.252 ( -0.000 0.000 -20.748) 20.748 23.445 ( 0.000 -0.000 1.530) 1.530 23.727 ( -0.000 0.000 -11.853) 11.853 23.787 ( 0.000 -0.000 7.540) 7.540 23.846 ( -0.000 0.000 -4.055) 4.055 23.880 ( 0.000 -0.000 1.331) 1.331 24.086 ( -0.000 0.000 -1.228) 1.228 24.302 ( -0.000 0.000 -14.160) 14.160 24.331 ( -0.000 0.000 -21.213) 21.213 24.453 ( 0.000 -0.000 28.486) 28.486 24.545 ( -0.000 0.000 -5.505) 5.505 25.113 ( 0.000 -0.000 1.296) 1.296 25.253 ( 0.000 -0.000 11.060) 11.060 25.725 ( -0.000 0.000 -18.595) 18.595 26.619 ( -0.000 0.000 -3.735) 3.735 26.833 ( -0.000 0.000 -1.924) 1.924 26.917 ( 0.000 -0.000 0.510) 0.510 27.211 ( 0.000 -0.000 1.379) 1.379 27.305 ( 0.000 -0.000 4.369) 4.369 27.622 ( -0.000 0.000 -7.046) 7.046 28.173 ( -0.000 0.000 -8.426) 8.426 28.448 ( 0.000 -0.000 9.387) 9.387 28.534 ( -0.000 0.000 -2.903) 2.903 28.676 ( 0.000 -0.000 3.829) 3.829 29.117 ( -0.000 0.000 -0.493) 0.493 29.460 ( 0.000 -0.000 1.649) 1.649 29.570 ( 0.000 -0.000 2.461) 2.461 30.069 ( 0.000 -0.000 2.713) 2.713 30.111 ( -0.000 0.000 -6.180) 6.180 30.317 ( -0.000 0.000 -2.268) 2.268 30.344 ( -0.000 0.000 -2.755) 2.755 30.813 ( 0.000 -0.000 3.200) 3.200 ======================= Grid point 126 (82/96) ======================= q-point: ( 0.55 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -20.979 -1.508 0.125) 21.034 4.217 ( -1.576 0.775 3.336) 3.770 4.428 ( 5.379 0.868 -2.466) 5.981 5.255 ( -2.627 16.512 -6.891) 18.084 5.706 ( -5.709 5.869 0.064) 8.188 5.985 ( 0.937 12.151 -4.313) 12.928 6.350 ( -5.396 13.570 20.707) 25.339 6.833 ( -0.590 -1.946 5.902) 6.242 7.024 ( -25.117 34.500 26.922) 50.457 7.267 ( -2.426 5.354 5.527) 8.068 8.519 ( -6.860 -0.839 -7.537) 10.226 8.912 ( -8.548 9.352 -37.990) 40.047 9.251 ( 11.836 -9.536 8.705) 17.516 9.746 ( -17.843 -21.715 -29.337) 40.627 10.216 ( 5.038 0.474 -0.017) 5.060 10.647 ( -22.551 -9.311 1.616) 24.451 11.209 ( -1.020 -0.799 17.320) 17.368 11.328 ( -0.438 -13.816 3.988) 14.386 11.736 ( -15.236 -5.726 24.578) 29.478 12.409 ( 8.290 -1.400 -19.939) 21.639 13.081 ( -3.893 11.940 -2.272) 12.763 13.188 ( -12.051 13.768 3.008) 18.542 13.586 ( -10.525 -1.846 -14.137) 17.721 14.139 ( 11.733 1.867 -30.913) 33.117 15.406 ( -3.899 -0.382 -15.816) 16.294 15.641 ( 11.059 -17.373 -3.539) 20.896 15.823 ( 3.765 6.262 -10.193) 12.541 16.104 ( 12.278 8.944 7.780) 17.066 16.309 ( 9.728 3.344 6.410) 12.121 16.686 ( 7.277 1.496 12.753) 14.759 16.854 ( -5.794 7.783 1.160) 9.772 16.990 ( -1.632 -9.472 4.364) 10.556 17.125 ( -6.382 -4.463 3.682) 8.614 17.394 ( -0.044 9.684 0.420) 9.693 17.417 ( 3.734 1.254 5.153) 6.486 17.521 ( 2.797 -8.783 -0.143) 9.219 17.667 ( -7.371 0.779 10.205) 12.613 17.848 ( 4.232 -5.026 -2.241) 6.942 18.063 ( 7.504 4.087 12.037) 14.762 18.275 ( -5.214 1.049 -2.650) 5.942 18.407 ( -5.817 -1.741 3.384) 6.951 18.452 ( -18.385 -5.880 -1.576) 19.366 18.784 ( 7.690 -17.296 7.791) 20.469 19.232 ( -1.212 5.177 -1.617) 5.557 19.296 ( -6.021 -0.208 3.464) 6.949 19.570 ( -0.614 -9.569 -11.425) 14.915 19.576 ( 7.278 -3.107 -17.224) 18.955 20.135 ( 31.257 -3.744 3.856) 31.716 20.414 ( 10.306 0.282 0.202) 10.312 20.618 ( -1.417 2.912 5.574) 6.447 20.784 ( -3.527 0.737 -3.639) 5.121 20.887 ( -5.600 -6.737 -4.125) 9.683 20.905 ( 2.124 0.191 12.292) 12.476 21.224 ( 6.601 -1.819 -1.712) 7.058 21.325 ( 3.963 6.034 1.283) 7.332 21.472 ( -7.936 1.965 3.732) 8.987 21.663 ( -1.292 2.861 -0.594) 3.195 21.749 ( -0.618 8.648 3.847) 9.486 21.876 ( -3.384 0.891 6.037) 6.978 21.975 ( -8.677 -1.283 1.334) 8.872 22.037 ( -9.291 -2.548 6.308) 11.515 22.252 ( 1.462 5.334 2.047) 5.897 22.603 ( -14.172 -4.113 7.543) 16.573 23.246 ( 4.574 -4.486 -2.411) 6.845 23.433 ( -5.124 0.850 3.582) 6.309 23.512 ( -4.152 -0.602 7.095) 8.243 23.553 ( 3.335 1.350 0.052) 3.598 23.832 ( 12.720 -0.988 -10.067) 16.252 23.903 ( -0.418 1.738 -2.116) 2.770 24.056 ( 3.188 -5.831 -6.967) 9.628 24.172 ( 1.011 1.338 1.291) 2.116 24.281 ( -5.678 -1.708 -3.477) 6.873 24.470 ( 1.333 3.207 3.656) 5.043 24.731 ( 5.785 -1.578 5.821) 8.356 24.862 ( -1.145 0.872 -6.456) 6.615 25.023 ( 13.101 -1.154 -6.269) 14.569 25.144 ( 2.075 6.025 -2.472) 6.835 26.129 ( 16.977 6.869 -6.607) 19.470 26.701 ( -1.801 -2.494 -1.888) 3.610 26.917 ( -5.246 3.499 -2.595) 6.819 27.023 ( 0.872 1.391 2.991) 3.412 27.092 ( 0.531 -1.136 0.290) 1.287 27.202 ( -0.994 -1.310 -0.821) 1.838 27.811 ( 0.832 5.020 -5.743) 7.673 28.100 ( 6.024 3.247 0.806) 6.891 28.417 ( 6.315 -2.077 -4.252) 7.891 28.526 ( -3.724 0.675 4.958) 6.238 28.567 ( 1.968 -2.804 1.721) 3.833 29.146 ( -2.213 -3.782 1.089) 4.515 29.378 ( -7.508 2.519 3.474) 8.648 29.592 ( -5.538 -3.636 0.818) 6.675 29.983 ( 1.330 -1.658 0.956) 2.330 30.271 ( -2.581 5.301 -2.414) 6.371 30.330 ( -1.426 0.451 2.240) 2.694 30.367 ( 0.994 1.503 -1.022) 2.072 30.849 ( -0.884 -1.912 -1.784) 2.761 ======================= Grid point 133 (83/96) ======================= q-point: (-0.27 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -18.977 0.000 1.074) 19.007 4.241 ( -1.682 0.000 -0.837) 1.878 4.374 ( 6.651 -0.000 -3.109) 7.342 5.187 ( 6.431 -0.000 -10.375) 12.207 5.635 ( -0.205 0.000 -13.776) 13.778 5.881 ( -3.657 0.000 -5.887) 6.930 6.714 ( 0.364 0.000 -6.501) 6.511 7.007 ( -0.635 0.000 -16.994) 17.005 7.339 ( 5.032 -0.000 -10.668) 11.795 7.794 ( -9.070 0.000 -27.887) 29.325 8.290 ( -21.965 0.000 8.543) 23.568 8.452 ( -39.655 0.000 53.445) 66.550 8.964 ( -22.342 0.000 -14.074) 26.405 9.558 ( 21.982 -0.000 18.663) 28.836 10.226 ( 5.488 -0.000 0.391) 5.502 10.628 ( -23.000 0.000 -1.733) 23.065 10.871 ( 13.177 0.000 -45.581) 47.448 11.837 ( -1.665 -0.000 22.244) 22.306 11.846 ( -1.663 0.000 -4.742) 5.025 12.150 ( -21.942 0.000 24.304) 32.743 13.170 ( -17.718 0.000 -3.702) 18.100 13.218 ( -3.232 0.000 1.895) 3.746 13.378 ( 9.423 0.000 -32.067) 33.423 13.824 ( -5.522 0.000 7.121) 9.011 15.092 ( -5.697 0.000 -11.320) 12.673 15.327 ( 5.536 -0.000 -4.934) 7.416 15.766 ( 11.998 -0.000 -6.910) 13.845 16.308 ( 14.216 -0.000 1.377) 14.283 16.508 ( 15.011 -0.000 9.072) 17.539 16.857 ( 12.256 -0.000 0.871) 12.287 16.929 ( 1.166 -0.000 2.502) 2.760 16.948 ( -10.492 0.000 -2.377) 10.758 17.120 ( -12.684 0.000 0.281) 12.687 17.285 ( 15.673 -0.000 -8.569) 17.862 17.511 ( 5.931 -0.000 -5.183) 7.876 17.649 ( 10.766 -0.000 11.845) 16.007 17.776 ( 7.321 -0.000 16.964) 18.476 18.010 ( -10.020 0.000 13.286) 16.641 18.096 ( -4.499 0.000 -7.573) 8.809 18.335 ( -0.941 0.000 1.414) 1.698 18.466 ( -24.374 0.000 4.052) 24.708 18.494 ( -4.053 0.000 6.654) 7.791 18.807 ( 10.217 -0.000 15.687) 18.721 19.098 ( 22.640 -0.000 -17.907) 28.866 19.181 ( -27.466 0.000 -6.065) 28.128 19.360 ( -6.718 0.000 -0.353) 6.728 19.442 ( -9.266 0.000 0.126) 9.267 20.027 ( -12.481 0.000 -22.616) 25.832 20.214 ( 27.423 -0.000 8.334) 28.662 20.702 ( -2.633 0.000 -8.556) 8.951 20.780 ( 5.438 -0.000 2.204) 5.868 20.837 ( -1.607 0.000 3.514) 3.864 21.222 ( 3.119 -0.000 7.802) 8.403 21.334 ( 12.727 -0.000 13.105) 18.268 21.514 ( -6.557 0.000 3.125) 7.263 21.556 ( 5.528 -0.000 13.140) 14.256 21.629 ( 4.056 -0.000 -0.356) 4.072 21.931 ( 5.880 -0.000 -0.089) 5.880 22.008 ( -4.497 0.000 2.953) 5.380 22.082 ( -11.883 0.000 11.888) 16.809 22.154 ( 0.919 -0.000 8.552) 8.601 22.282 ( -2.296 0.000 -1.927) 2.997 22.779 ( -5.501 0.000 7.800) 9.545 23.116 ( 3.789 -0.000 -3.407) 5.095 23.471 ( -5.572 0.000 1.240) 5.708 23.488 ( 14.395 -0.000 -16.188) 21.663 23.635 ( 3.992 -0.000 3.602) 5.377 23.797 ( 3.552 -0.000 -8.256) 8.988 23.875 ( -2.350 -0.000 20.358) 20.493 23.902 ( 0.993 -0.000 -0.172) 1.008 24.152 ( -8.102 0.000 -5.890) 10.017 24.174 ( -3.945 0.000 -0.622) 3.994 24.525 ( -0.408 0.000 -4.312) 4.332 24.644 ( 13.592 -0.000 -14.863) 20.141 24.741 ( -3.430 0.000 -5.769) 6.712 25.020 ( -0.402 -0.000 8.330) 8.340 25.076 ( 4.750 -0.000 -5.849) 7.534 25.999 ( 8.990 -0.000 -12.021) 15.011 26.657 ( 0.498 -0.000 -0.014) 0.498 26.926 ( -5.045 0.000 -2.166) 5.491 26.977 ( -2.974 0.000 -4.093) 5.060 27.132 ( 3.769 -0.000 2.461) 4.501 27.202 ( 1.854 -0.000 2.711) 3.284 27.720 ( 4.298 -0.000 -7.893) 8.988 28.190 ( 6.482 -0.000 5.267) 8.352 28.250 ( 7.217 -0.000 -7.438) 10.364 28.575 ( 0.411 -0.000 0.568) 0.701 28.666 ( -5.726 0.000 5.761) 8.123 29.135 ( -1.944 0.000 1.150) 2.259 29.477 ( -7.094 0.000 3.183) 7.776 29.578 ( -4.962 0.000 1.467) 5.174 29.994 ( 1.737 -0.000 1.508) 2.300 30.262 ( -2.288 0.000 -4.262) 4.838 30.352 ( 0.889 -0.000 -1.834) 2.038 30.372 ( -1.489 0.000 2.092) 2.567 30.796 ( -0.999 0.000 -0.993) 1.408 ======================= Grid point 135 (84/96) ======================= q-point: ( 0.52 -0.52 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -25.869 -4.885 0.000) 26.326 4.203 ( 2.381 4.406 0.000) 5.008 4.340 ( 3.507 -1.221 -0.000) 3.713 5.448 ( 15.586 3.758 -0.000) 16.032 5.860 ( -6.761 0.660 0.000) 6.794 6.024 ( -20.746 27.549 0.000) 34.486 6.463 ( 3.687 6.239 0.000) 7.247 6.702 ( -25.327 1.118 0.000) 25.352 7.242 ( -4.548 -2.080 -0.000) 5.001 7.304 ( -20.291 35.352 0.000) 40.761 8.772 ( 0.985 -14.009 -0.000) 14.043 8.776 ( -4.816 -27.696 -0.000) 28.112 9.866 ( -11.782 9.585 0.000) 15.188 9.924 ( 25.796 -3.650 -0.000) 26.053 10.510 ( -34.187 19.372 0.000) 39.294 10.519 ( -1.222 -15.797 -0.000) 15.844 11.436 ( -0.288 -14.420 -0.000) 14.423 11.623 ( -0.943 16.524 0.000) 16.550 11.770 ( -26.613 14.321 0.000) 30.222 12.419 ( -11.351 -18.844 -0.000) 21.999 13.049 ( 3.522 28.615 0.000) 28.831 13.447 ( -13.913 -0.991 0.000) 13.948 13.996 ( -9.792 -11.562 -0.000) 15.151 14.190 ( 12.844 0.409 -0.000) 12.850 15.361 ( 16.233 -0.172 -0.000) 16.234 15.564 ( 13.307 9.999 0.000) 16.645 15.659 ( 7.512 -2.085 -0.000) 7.796 16.035 ( -4.430 -9.148 -0.000) 10.165 16.188 ( 0.633 5.263 0.000) 5.301 16.522 ( -6.212 -4.838 -0.000) 7.874 16.809 ( 1.679 2.224 0.000) 2.786 16.868 ( 12.316 -8.898 -0.000) 15.194 17.266 ( 8.242 0.096 -0.000) 8.243 17.353 ( 0.899 -2.449 -0.000) 2.609 17.479 ( -18.343 2.533 0.000) 18.518 17.640 ( -13.011 -4.810 -0.000) 13.872 17.663 ( 6.480 1.184 -0.000) 6.587 17.699 ( -2.578 -2.832 -0.000) 3.830 17.811 ( 0.875 -3.445 -0.000) 3.555 18.388 ( 1.631 -18.902 -0.000) 18.972 18.494 ( -7.692 0.965 0.000) 7.752 18.549 ( -4.321 -5.574 -0.000) 7.053 18.921 ( -13.852 2.744 0.000) 14.121 19.183 ( 15.595 -0.849 -0.000) 15.618 19.189 ( 5.346 -4.507 -0.000) 6.992 19.486 ( -0.292 5.021 0.000) 5.030 19.703 ( 10.401 -2.797 -0.000) 10.771 19.737 ( 17.427 0.230 -0.000) 17.428 19.979 ( -10.325 -5.894 -0.000) 11.889 20.474 ( 14.881 -0.619 -0.000) 14.894 20.566 ( 0.955 1.715 0.000) 1.963 20.807 ( 6.158 1.105 -0.000) 6.256 21.052 ( 8.492 -2.696 -0.000) 8.910 21.266 ( -4.505 1.216 0.000) 4.666 21.355 ( 4.242 12.684 0.000) 13.374 21.613 ( -3.410 4.967 0.000) 6.025 21.704 ( -10.075 2.544 0.000) 10.392 21.837 ( 0.405 6.770 0.000) 6.782 21.848 ( -8.130 -5.441 -0.000) 9.783 22.204 ( -7.513 0.661 0.000) 7.542 22.215 ( -9.314 -2.394 0.000) 9.616 22.290 ( -13.694 8.901 0.000) 16.333 22.837 ( -12.351 -5.581 -0.000) 13.554 23.171 ( 4.084 -5.048 -0.000) 6.493 23.439 ( 7.915 1.513 -0.000) 8.058 23.478 ( -4.419 1.496 0.000) 4.665 23.622 ( -7.143 -4.191 -0.000) 8.282 23.731 ( 12.918 3.567 -0.000) 13.402 23.761 ( 13.952 -2.593 -0.000) 14.190 24.045 ( -3.482 4.533 0.000) 5.716 24.130 ( 0.866 -7.495 -0.000) 7.545 24.290 ( 10.492 -2.946 -0.000) 10.898 24.390 ( 2.038 1.915 0.000) 2.797 24.641 ( 0.306 -3.196 -0.000) 3.210 24.686 ( 11.492 -0.055 -0.000) 11.492 24.944 ( 1.456 -0.976 -0.000) 1.753 25.104 ( 3.636 8.248 0.000) 9.014 25.806 ( 16.511 7.672 0.000) 18.206 26.773 ( -0.898 -3.860 -0.000) 3.963 26.935 ( 2.700 3.321 0.000) 4.280 27.017 ( -0.872 0.891 0.000) 1.247 27.037 ( 1.045 -0.823 -0.000) 1.330 27.290 ( -3.114 -1.424 -0.000) 3.424 27.925 ( -2.051 3.885 0.000) 4.393 27.965 ( 5.222 4.417 0.000) 6.840 28.291 ( 10.909 -1.586 -0.000) 11.024 28.460 ( 4.179 -4.799 -0.000) 6.363 28.519 ( -2.012 2.766 0.000) 3.421 29.187 ( -3.090 -5.145 -0.000) 6.001 29.541 ( -10.071 4.087 0.000) 10.869 29.726 ( -6.839 -3.078 -0.000) 7.500 29.950 ( 0.908 -1.242 -0.000) 1.539 30.347 ( 1.276 1.041 0.000) 1.647 30.355 ( -2.009 3.970 0.000) 4.450 30.359 ( -3.955 -0.987 0.000) 4.077 30.884 ( -0.304 -0.586 -0.000) 0.660 ======================= Grid point 144 (85/96) ======================= q-point: (-0.29 0.46 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -24.725 0.000 -0.348) 24.728 4.271 ( 9.845 -0.000 -3.881) 10.582 4.279 ( -2.853 0.000 1.370) 3.165 5.276 ( 8.871 -0.000 -13.614) 16.249 5.858 ( -5.843 0.000 -1.121) 5.949 6.095 ( 0.509 0.000 -12.079) 12.089 6.693 ( 4.060 -0.000 6.685) 7.821 6.995 ( -32.125 0.000 21.022) 38.392 7.242 ( 4.280 -0.000 1.529) 4.545 8.057 ( 6.362 -0.000 -4.314) 7.686 8.288 ( -32.773 0.000 22.975) 40.025 8.770 ( 10.373 -0.000 12.539) 16.274 9.575 ( -16.007 0.000 -26.026) 30.554 9.900 ( -13.901 0.000 -2.979) 14.216 10.094 ( 1.777 0.000 -6.037) 6.293 11.051 ( 3.633 0.000 -33.790) 33.985 11.222 ( -1.295 0.000 -11.289) 11.363 11.349 ( -15.867 0.000 31.088) 34.903 12.147 ( -31.960 0.000 3.190) 32.119 12.490 ( -12.787 0.000 13.199) 18.377 13.191 ( 6.666 -0.000 -12.228) 13.927 13.652 ( -14.837 0.000 -7.309) 16.540 13.738 ( -3.528 -0.000 12.448) 12.938 13.922 ( 1.793 0.000 -20.374) 20.453 15.234 ( 9.871 -0.000 -6.049) 11.577 15.546 ( -5.880 0.000 -11.251) 12.695 15.693 ( 16.633 -0.000 -0.876) 16.656 15.957 ( 4.520 -0.000 2.713) 5.271 16.190 ( 2.935 -0.000 -5.502) 6.236 16.534 ( 4.143 -0.000 4.892) 6.410 16.787 ( 8.674 -0.000 5.469) 10.254 16.959 ( 2.286 -0.000 8.538) 8.839 17.172 ( 7.113 -0.000 -4.880) 8.626 17.371 ( -12.082 0.000 -5.408) 13.237 17.464 ( 7.744 -0.000 5.914) 9.744 17.481 ( -0.024 0.000 -5.299) 5.299 17.582 ( 5.567 -0.000 -7.786) 9.571 17.892 ( -7.729 0.000 15.672) 17.474 17.927 ( 2.613 -0.000 11.475) 11.769 18.261 ( -3.157 0.000 5.910) 6.700 18.408 ( -1.808 0.000 -5.695) 5.975 18.605 ( -8.702 0.000 9.093) 12.586 18.849 ( 3.872 -0.000 -8.795) 9.609 19.213 ( -13.995 0.000 -4.144) 14.595 19.333 ( 20.711 -0.000 12.278) 24.077 19.361 ( 5.170 -0.000 -2.783) 5.872 19.509 ( -5.453 0.000 1.180) 5.579 19.903 ( -16.330 0.000 -1.129) 16.369 20.191 ( 15.898 -0.000 17.291) 23.489 20.551 ( 4.507 -0.000 -2.675) 5.241 20.640 ( 12.149 -0.000 11.393) 16.655 20.828 ( 1.489 -0.000 4.602) 4.837 21.041 ( 4.849 -0.000 1.696) 5.137 21.168 ( -4.250 0.000 -9.276) 10.203 21.307 ( 0.592 0.000 -8.382) 8.403 21.582 ( -2.083 0.000 -1.621) 2.640 21.736 ( -4.728 0.000 -3.423) 5.837 21.927 ( 2.649 -0.000 -6.213) 6.754 21.957 ( -3.230 -0.000 10.768) 11.242 22.151 ( -8.971 0.000 -1.931) 9.176 22.203 ( -10.282 0.000 2.005) 10.476 22.401 ( -6.967 0.000 -1.189) 7.068 22.827 ( -12.950 0.000 5.181) 13.948 23.065 ( 6.376 -0.000 -2.645) 6.903 23.445 ( 16.980 -0.000 -13.870) 21.925 23.445 ( 9.919 -0.000 -0.471) 9.931 23.604 ( -2.204 -0.000 8.524) 8.804 23.605 ( -8.599 0.000 1.942) 8.815 23.934 ( 0.580 0.000 -7.710) 7.732 23.939 ( -0.074 -0.000 4.514) 4.514 24.163 ( -0.458 -0.000 5.231) 5.251 24.344 ( 11.544 -0.000 5.016) 12.587 24.400 ( 7.773 -0.000 -11.346) 13.753 24.456 ( 2.464 -0.000 4.214) 4.881 24.866 ( 1.162 -0.000 9.287) 9.359 24.875 ( 1.059 0.000 -4.914) 5.027 25.144 ( 3.594 -0.000 -4.837) 6.027 25.854 ( 15.074 -0.000 -2.567) 15.291 26.686 ( -0.574 0.000 -3.169) 3.221 26.992 ( 4.845 -0.000 1.176) 4.986 27.035 ( -1.398 0.000 0.326) 1.436 27.049 ( -0.278 -0.000 2.519) 2.535 27.224 ( -2.373 0.000 -4.644) 5.215 27.819 ( 3.171 0.000 -9.990) 10.481 28.045 ( 1.766 -0.000 0.814) 1.945 28.205 ( 10.077 -0.000 -5.363) 11.415 28.464 ( 4.231 -0.000 3.937) 5.779 28.627 ( -2.614 0.000 6.099) 6.636 29.150 ( -2.571 0.000 1.605) 3.031 29.615 ( -10.534 0.000 2.770) 10.892 29.698 ( -7.030 0.000 0.250) 7.034 29.943 ( 0.944 -0.000 0.604) 1.120 30.347 ( 1.452 -0.000 -1.083) 1.811 30.364 ( -3.053 0.000 1.589) 3.442 30.373 ( -1.017 0.000 -2.026) 2.266 30.861 ( -1.234 0.000 -1.607) 2.026 ======================= Grid point 148 (86/96) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -0.000 1.374 0.000) 1.374 3.816 ( -0.000 33.710 0.000) 33.710 4.483 ( -0.000 1.719 0.000) 1.719 4.544 ( -0.000 21.523 0.000) 21.523 4.798 ( -0.000 66.725 0.000) 66.725 5.751 ( -0.000 19.759 0.000) 19.759 5.965 ( -0.000 2.743 0.000) 2.743 6.395 ( -0.000 6.008 0.000) 6.008 6.545 ( -0.000 20.084 0.000) 20.084 7.150 ( 0.000 -1.193 -0.000) 1.193 7.296 ( -0.000 57.749 0.000) 57.749 9.187 ( 0.000 -10.869 -0.000) 10.869 10.030 ( 0.000 -17.892 -0.000) 17.892 10.253 ( -0.000 0.381 0.000) 0.381 10.557 ( -0.000 10.122 0.000) 10.122 10.830 ( 0.000 -2.156 -0.000) 2.156 10.960 ( 0.000 -44.107 -0.000) 44.107 11.433 ( 0.000 -48.750 -0.000) 48.750 11.866 ( 0.000 -27.967 -0.000) 27.967 12.471 ( -0.000 10.623 0.000) 10.623 12.555 ( -0.000 20.854 0.000) 20.854 13.128 ( -0.000 3.294 0.000) 3.294 13.853 ( 0.000 -6.160 -0.000) 6.160 14.639 ( -0.000 3.249 0.000) 3.249 15.622 ( -0.000 2.106 0.000) 2.106 15.815 ( -0.000 11.048 0.000) 11.048 16.068 ( -0.000 8.257 0.000) 8.257 16.075 ( -0.000 0.286 0.000) 0.286 16.281 ( 0.000 -21.793 -0.000) 21.793 16.485 ( -0.000 3.049 0.000) 3.049 16.709 ( -0.000 2.607 0.000) 2.607 16.821 ( -0.000 4.221 0.000) 4.221 16.900 ( -0.000 15.175 0.000) 15.175 17.213 ( 0.000 -1.416 -0.000) 1.416 17.380 ( 0.000 -4.545 -0.000) 4.545 17.609 ( 0.000 -3.875 -0.000) 3.875 17.743 ( 0.000 -1.342 -0.000) 1.342 17.843 ( -0.000 8.329 0.000) 8.329 17.980 ( 0.000 -18.384 -0.000) 18.384 18.084 ( -0.000 4.896 0.000) 4.896 18.237 ( -0.000 2.484 0.000) 2.484 18.495 ( -0.000 4.459 0.000) 4.459 19.036 ( -0.000 13.660 0.000) 13.660 19.198 ( 0.000 -1.930 -0.000) 1.930 19.372 ( 0.000 -27.016 -0.000) 27.016 19.759 ( 0.000 -13.737 -0.000) 13.737 20.050 ( -0.000 11.876 0.000) 11.876 20.422 ( -0.000 2.925 0.000) 2.925 20.602 ( 0.000 -5.361 -0.000) 5.361 20.800 ( 0.000 -3.225 -0.000) 3.225 20.858 ( 0.000 -3.574 -0.000) 3.574 20.929 ( 0.000 -0.187 -0.000) 0.187 20.935 ( -0.000 1.990 0.000) 1.990 21.134 ( 0.000 -14.391 -0.000) 14.391 21.206 ( -0.000 2.889 0.000) 2.889 21.440 ( -0.000 8.168 0.000) 8.168 21.446 ( 0.000 -3.483 -0.000) 3.483 21.608 ( 0.000 -6.674 -0.000) 6.674 21.730 ( 0.000 -3.050 -0.000) 3.050 21.812 ( 0.000 -1.727 -0.000) 1.727 22.050 ( -0.000 6.710 0.000) 6.710 22.135 ( 0.000 -6.540 -0.000) 6.540 22.393 ( 0.000 -4.473 -0.000) 4.473 23.234 ( -0.000 4.238 0.000) 4.238 23.454 ( 0.000 -2.313 -0.000) 2.313 23.476 ( 0.000 -6.032 -0.000) 6.032 23.561 ( -0.000 2.012 0.000) 2.012 23.843 ( -0.000 2.533 0.000) 2.533 24.037 ( -0.000 9.755 0.000) 9.755 24.180 ( -0.000 0.385 0.000) 0.385 24.251 ( -0.000 3.103 0.000) 3.103 24.286 ( 0.000 -2.370 -0.000) 2.370 24.381 ( 0.000 -2.416 -0.000) 2.416 24.707 ( 0.000 -5.402 -0.000) 5.402 24.933 ( -0.000 15.199 0.000) 15.199 24.959 ( 0.000 -1.179 -0.000) 1.179 25.344 ( 0.000 -0.881 -0.000) 0.881 26.321 ( -0.000 11.291 0.000) 11.291 26.607 ( -0.000 4.149 0.000) 4.149 26.893 ( -0.000 4.519 0.000) 4.519 26.976 ( 0.000 -7.285 -0.000) 7.285 27.070 ( -0.000 3.053 0.000) 3.053 27.202 ( 0.000 -1.566 -0.000) 1.566 27.741 ( -0.000 5.846 0.000) 5.846 28.079 ( -0.000 6.731 0.000) 6.731 28.355 ( -0.000 1.016 0.000) 1.016 28.600 ( 0.000 -2.524 -0.000) 2.524 28.704 ( 0.000 -6.656 -0.000) 6.656 29.192 ( -0.000 3.362 0.000) 3.362 29.204 ( 0.000 -5.076 -0.000) 5.076 29.609 ( 0.000 -5.674 -0.000) 5.674 30.045 ( 0.000 -3.617 -0.000) 3.617 30.110 ( -0.000 10.212 0.000) 10.212 30.248 ( -0.000 1.750 0.000) 1.750 30.346 ( -0.000 2.857 0.000) 2.857 30.916 ( 0.000 -2.904 -0.000) 2.904 ======================= Grid point 155 (87/96) ======================= q-point: (-0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -23.221 0.000 0.000) 23.221 4.106 ( 10.789 -0.000 -0.000) 10.789 4.313 ( -1.772 0.000 0.000) 1.772 5.130 ( 17.637 -0.000 -0.000) 17.637 5.930 ( 0.433 -0.000 -0.000) 0.433 6.311 ( 1.364 -0.000 -0.000) 1.364 6.350 ( 5.687 -0.000 -0.000) 5.687 7.180 ( 2.528 -0.000 -0.000) 2.528 7.779 ( -46.004 0.000 0.000) 46.004 7.976 ( -1.214 0.000 0.000) 1.214 8.673 ( -26.551 0.000 0.000) 26.551 8.689 ( -9.698 0.000 0.000) 9.698 9.116 ( 39.278 -0.000 -0.000) 39.278 9.765 ( 20.636 -0.000 -0.000) 20.636 10.570 ( -10.983 0.000 0.000) 10.983 11.258 ( 1.865 -0.000 -0.000) 1.865 11.445 ( 13.279 -0.000 -0.000) 13.279 11.736 ( -38.966 0.000 0.000) 38.966 12.258 ( 13.578 -0.000 -0.000) 13.578 12.888 ( -28.459 0.000 0.000) 28.459 13.427 ( 4.240 -0.000 -0.000) 4.240 13.520 ( -7.009 0.000 0.000) 7.009 13.862 ( -1.425 0.000 0.000) 1.425 14.013 ( 5.035 -0.000 -0.000) 5.035 15.021 ( 31.458 -0.000 -0.000) 31.458 15.348 ( -13.052 0.000 0.000) 13.052 15.415 ( 10.265 -0.000 -0.000) 10.265 16.249 ( 6.240 -0.000 -0.000) 6.240 16.383 ( -21.967 0.000 0.000) 21.967 16.471 ( 4.716 -0.000 -0.000) 4.716 16.501 ( -6.535 0.000 0.000) 6.535 16.884 ( -5.156 0.000 0.000) 5.156 17.098 ( 5.251 -0.000 -0.000) 5.251 17.310 ( -2.904 0.000 0.000) 2.904 17.436 ( 12.395 -0.000 -0.000) 12.395 17.572 ( 1.883 -0.000 -0.000) 1.883 17.815 ( -7.272 0.000 0.000) 7.272 17.952 ( -19.789 0.000 0.000) 19.789 18.001 ( -18.731 0.000 0.000) 18.731 18.339 ( -9.283 0.000 0.000) 9.283 18.553 ( 6.494 -0.000 -0.000) 6.494 18.729 ( -20.986 0.000 0.000) 20.986 18.874 ( 18.019 -0.000 -0.000) 18.019 18.963 ( 10.588 -0.000 -0.000) 10.588 18.988 ( -2.078 0.000 0.000) 2.078 19.426 ( 14.651 -0.000 -0.000) 14.651 19.597 ( -3.784 0.000 0.000) 3.784 19.887 ( -20.218 0.000 0.000) 20.218 20.073 ( -1.249 0.000 0.000) 1.249 20.105 ( 16.342 -0.000 -0.000) 16.342 20.645 ( -5.638 0.000 0.000) 5.638 20.696 ( 17.409 -0.000 -0.000) 17.409 20.781 ( 2.669 -0.000 -0.000) 2.669 21.320 ( -1.002 0.000 0.000) 1.002 21.346 ( 12.996 -0.000 -0.000) 12.996 21.650 ( -1.216 0.000 0.000) 1.216 21.845 ( -0.583 0.000 0.000) 0.583 21.905 ( 4.693 -0.000 -0.000) 4.693 21.986 ( -6.827 0.000 0.000) 6.827 22.371 ( -6.613 0.000 0.000) 6.613 22.466 ( -15.780 0.000 0.000) 15.780 22.657 ( -12.749 0.000 0.000) 12.749 22.985 ( 2.713 -0.000 -0.000) 2.713 23.044 ( -9.268 0.000 0.000) 9.268 23.147 ( 20.732 -0.000 -0.000) 20.732 23.347 ( 12.141 -0.000 -0.000) 12.141 23.375 ( 17.286 -0.000 -0.000) 17.286 23.762 ( -6.621 0.000 0.000) 6.621 23.792 ( -10.751 0.000 0.000) 10.751 23.881 ( 13.587 -0.000 -0.000) 13.587 24.041 ( 0.327 -0.000 -0.000) 0.327 24.227 ( -7.078 0.000 0.000) 7.078 24.354 ( 3.591 -0.000 -0.000) 3.591 24.586 ( 1.171 -0.000 -0.000) 1.171 24.642 ( -1.010 0.000 0.000) 1.010 24.862 ( 4.948 -0.000 -0.000) 4.948 25.081 ( 5.516 -0.000 -0.000) 5.516 25.594 ( 11.214 -0.000 -0.000) 11.214 26.751 ( -1.129 0.000 0.000) 1.129 26.903 ( 2.356 -0.000 -0.000) 2.356 27.013 ( 0.520 -0.000 -0.000) 0.520 27.018 ( 0.746 -0.000 -0.000) 0.746 27.325 ( -1.440 0.000 0.000) 1.440 27.963 ( 0.078 -0.000 -0.000) 0.078 28.003 ( -2.316 0.000 0.000) 2.316 28.011 ( 12.791 -0.000 -0.000) 12.791 28.348 ( 1.712 -0.000 -0.000) 1.712 28.577 ( -0.180 0.000 0.000) 0.180 29.189 ( -2.710 0.000 0.000) 2.710 29.747 ( -4.277 0.000 0.000) 4.277 29.822 ( -4.487 0.000 0.000) 4.487 29.926 ( 0.262 -0.000 -0.000) 0.262 30.317 ( 1.975 -0.000 -0.000) 1.975 30.409 ( -0.186 0.000 0.000) 0.186 30.467 ( -7.719 0.000 0.000) 7.719 30.877 ( 1.641 -0.000 -0.000) 1.641 ======================= Grid point 158 (88/96) ======================= q-point: ( 0.48 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.000 0.572 1.209) 1.337 4.197 ( 0.000 0.448 4.876) 4.896 4.488 ( -0.000 0.920 -2.008) 2.209 5.213 ( 0.000 24.045 4.124) 24.396 5.643 ( 0.000 7.808 1.556) 7.962 6.031 ( 0.000 8.549 -2.774) 8.988 6.342 ( 0.000 4.041 17.593) 18.051 6.584 ( 0.000 42.145 23.408) 48.209 6.844 ( 0.000 -2.739 7.333) 7.828 7.271 ( 0.000 9.743 2.933) 10.175 8.415 ( 0.000 29.752 -16.242) 33.897 9.023 ( -0.000 -20.030 -48.663) 52.624 9.206 ( 0.000 -3.048 3.982) 5.015 9.683 ( -0.000 -6.711 -24.033) 24.952 10.214 ( -0.000 -13.845 0.837) 13.870 10.322 ( -0.000 -17.549 5.683) 18.446 11.187 ( 0.000 -3.845 29.912) 30.159 11.327 ( 0.000 -15.108 14.477) 20.924 11.578 ( 0.000 -13.883 19.983) 24.332 12.538 ( -0.000 4.593 -28.680) 29.046 12.947 ( 0.000 15.956 0.974) 15.986 13.116 ( -0.000 1.855 -6.300) 6.568 13.474 ( -0.000 5.626 -12.698) 13.888 14.289 ( -0.000 4.566 -35.005) 35.301 15.358 ( -0.000 -1.814 -15.975) 16.078 15.742 ( -0.000 -19.831 -7.145) 21.079 15.866 ( 0.000 6.229 -4.899) 7.924 16.275 ( 0.000 11.001 10.798) 15.415 16.517 ( 0.000 8.654 13.027) 15.640 16.688 ( 0.000 3.286 1.098) 3.464 16.748 ( 0.000 -0.965 10.116) 10.162 16.959 ( 0.000 -7.701 7.689) 10.883 17.121 ( -0.000 -3.855 -2.319) 4.499 17.363 ( 0.000 7.501 12.692) 14.743 17.401 ( 0.000 3.021 11.468) 11.859 17.555 ( 0.000 -1.095 6.559) 6.650 17.664 ( -0.000 -0.629 -5.906) 5.939 17.907 ( 0.000 2.122 6.965) 7.282 18.143 ( -0.000 2.398 -11.945) 12.183 18.197 ( 0.000 2.806 15.847) 16.094 18.199 ( -0.000 -0.731 -5.975) 6.020 18.375 ( -0.000 -5.695 0.200) 5.698 18.886 ( -0.000 -25.730 7.307) 26.748 19.232 ( 0.000 2.250 3.930) 4.528 19.256 ( 0.000 6.705 -0.299) 6.712 19.294 ( -0.000 -14.722 -14.984) 21.006 19.990 ( -0.000 -3.571 -14.501) 14.935 20.256 ( -0.000 -0.145 -31.589) 31.589 20.518 ( 0.000 2.857 2.514) 3.806 20.709 ( 0.000 8.464 8.764) 12.184 20.775 ( -0.000 -11.787 -4.483) 12.611 20.946 ( 0.000 4.197 11.626) 12.360 20.978 ( 0.000 -1.569 3.711) 4.030 21.144 ( 0.000 -4.009 8.279) 9.198 21.321 ( 0.000 -0.828 1.811) 1.992 21.412 ( 0.000 3.378 4.678) 5.770 21.664 ( 0.000 0.807 0.378) 0.891 21.735 ( 0.000 6.276 4.784) 7.891 21.810 ( 0.000 -3.897 19.584) 19.968 21.843 ( 0.000 -0.913 5.228) 5.307 21.962 ( -0.000 -0.208 -2.020) 2.030 22.320 ( -0.000 -2.097 -1.151) 2.392 22.389 ( 0.000 6.677 12.205) 13.912 23.312 ( -0.000 -7.218 -3.038) 7.831 23.365 ( 0.000 1.227 2.933) 3.180 23.453 ( 0.000 -1.173 10.486) 10.551 23.587 ( 0.000 1.534 0.069) 1.536 23.890 ( 0.000 2.044 -0.388) 2.081 24.011 ( -0.000 1.752 -12.304) 12.428 24.140 ( -0.000 -6.506 -3.318) 7.303 24.158 ( -0.000 0.315 -2.744) 2.762 24.172 ( -0.000 -0.327 -8.103) 8.109 24.487 ( 0.000 3.916 4.156) 5.710 24.770 ( 0.000 -2.265 11.045) 11.274 24.847 ( -0.000 1.306 -8.203) 8.307 25.167 ( 0.000 6.187 -1.632) 6.399 25.199 ( -0.000 -0.412 -12.808) 12.814 26.367 ( -0.000 6.254 -11.841) 13.392 26.662 ( 0.000 0.360 0.616) 0.713 26.833 ( -0.000 1.116 -2.504) 2.742 27.017 ( 0.000 -1.285 2.798) 3.079 27.101 ( 0.000 1.889 -0.823) 2.060 27.197 ( 0.000 -1.034 1.944) 2.201 27.817 ( 0.000 5.140 -3.319) 6.119 28.194 ( 0.000 4.248 0.505) 4.278 28.430 ( 0.000 1.123 5.008) 5.132 28.530 ( -0.000 -5.292 -4.737) 7.102 28.575 ( -0.000 -1.562 1.116) 1.920 29.121 ( -0.000 -2.895 0.717) 2.982 29.296 ( 0.000 1.553 4.050) 4.337 29.529 ( -0.000 -3.718 1.175) 3.899 30.000 ( -0.000 -2.247 1.286) 2.589 30.239 ( 0.000 6.560 -2.848) 7.151 30.315 ( 0.000 0.890 2.594) 2.742 30.378 ( 0.000 1.602 -1.114) 1.951 30.838 ( -0.000 -2.504 -1.774) 3.068 ======================= Grid point 165 (89/96) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 -0.000 0.811) 0.811 4.223 ( -0.000 0.000 -0.901) 0.901 4.445 ( -0.000 0.000 -2.523) 2.523 5.270 ( -0.000 0.000 -11.725) 11.725 5.653 ( -0.000 0.000 -5.216) 5.216 5.843 ( -0.000 0.000 -15.163) 15.163 6.720 ( -0.000 0.000 -7.180) 7.180 7.058 ( -0.000 0.000 -30.375) 30.375 7.498 ( 0.000 -0.000 1.058) 1.058 7.556 ( -0.000 0.000 -63.429) 63.429 7.828 ( 0.000 -0.000 42.515) 42.515 8.161 ( 0.000 -0.000 40.279) 40.279 8.708 ( 0.000 -0.000 0.138) 0.138 10.084 ( 0.000 -0.000 9.147) 9.147 10.116 ( 0.000 -0.000 8.567) 8.567 10.285 ( 0.000 -0.000 1.083) 1.083 11.032 ( -0.000 0.000 -66.423) 66.423 11.802 ( 0.000 -0.000 32.660) 32.660 11.823 ( 0.000 -0.000 21.186) 21.186 11.929 ( 0.000 -0.000 15.064) 15.064 12.952 ( -0.000 0.000 -10.292) 10.292 13.092 ( -0.000 0.000 -4.207) 4.207 13.593 ( -0.000 0.000 -32.890) 32.890 13.737 ( 0.000 -0.000 12.570) 12.570 15.041 ( -0.000 0.000 -10.941) 10.941 15.375 ( -0.000 0.000 -6.189) 6.189 15.936 ( -0.000 0.000 -0.650) 0.650 16.531 ( 0.000 -0.000 0.575) 0.575 16.749 ( -0.000 0.000 -6.854) 6.854 16.808 ( 0.000 -0.000 3.568) 3.568 16.811 ( 0.000 -0.000 7.672) 7.672 16.954 ( 0.000 -0.000 2.933) 2.933 17.020 ( -0.000 0.000 -0.660) 0.660 17.572 ( -0.000 0.000 -13.198) 13.198 17.612 ( 0.000 -0.000 1.371) 1.371 17.821 ( 0.000 -0.000 15.097) 15.097 17.851 ( 0.000 -0.000 15.784) 15.784 17.892 ( 0.000 -0.000 8.847) 8.847 18.020 ( -0.000 0.000 -3.047) 3.047 18.058 ( 0.000 -0.000 7.130) 7.130 18.338 ( 0.000 -0.000 2.527) 2.527 18.464 ( 0.000 -0.000 2.518) 2.518 18.793 ( -0.000 0.000 -5.848) 5.848 18.960 ( 0.000 -0.000 15.300) 15.300 19.269 ( -0.000 0.000 -5.941) 5.941 19.314 ( 0.000 -0.000 0.292) 0.292 19.593 ( -0.000 0.000 -30.068) 30.068 19.638 ( -0.000 0.000 -13.993) 13.993 20.506 ( -0.000 0.000 -0.459) 0.459 20.739 ( -0.000 0.000 -12.882) 12.882 20.767 ( 0.000 -0.000 10.477) 10.477 20.981 ( 0.000 -0.000 0.834) 0.834 21.198 ( -0.000 0.000 -0.336) 0.336 21.401 ( 0.000 -0.000 13.985) 13.985 21.487 ( 0.000 -0.000 9.712) 9.712 21.612 ( 0.000 -0.000 15.204) 15.204 21.732 ( 0.000 -0.000 7.119) 7.119 21.861 ( 0.000 -0.000 5.114) 5.114 21.962 ( 0.000 -0.000 4.463) 4.463 22.014 ( 0.000 -0.000 9.598) 9.598 22.147 ( 0.000 -0.000 14.111) 14.111 22.259 ( -0.000 0.000 -2.127) 2.127 22.719 ( 0.000 -0.000 9.360) 9.360 23.155 ( -0.000 0.000 -3.319) 3.319 23.401 ( 0.000 -0.000 1.797) 1.797 23.657 ( 0.000 -0.000 4.364) 4.364 23.671 ( -0.000 0.000 -19.169) 19.169 23.819 ( 0.000 -0.000 14.020) 14.020 23.936 ( 0.000 -0.000 10.791) 10.791 23.956 ( -0.000 0.000 -10.352) 10.352 23.963 ( -0.000 0.000 -6.198) 6.198 24.121 ( -0.000 0.000 -1.952) 1.952 24.521 ( -0.000 0.000 -5.952) 5.952 24.699 ( -0.000 0.000 -7.758) 7.758 24.798 ( -0.000 0.000 -20.596) 20.596 25.017 ( 0.000 -0.000 10.577) 10.577 25.131 ( -0.000 0.000 -3.952) 3.952 26.108 ( -0.000 0.000 -17.875) 17.875 26.662 ( -0.000 0.000 -0.400) 0.400 26.859 ( -0.000 0.000 -0.381) 0.381 26.944 ( -0.000 0.000 -2.824) 2.824 27.174 ( 0.000 -0.000 1.982) 1.982 27.223 ( 0.000 -0.000 3.377) 3.377 27.767 ( -0.000 0.000 -6.579) 6.579 28.292 ( 0.000 -0.000 5.255) 5.255 28.341 ( -0.000 0.000 -7.507) 7.507 28.567 ( -0.000 0.000 -0.351) 0.351 28.571 ( 0.000 -0.000 6.086) 6.086 29.113 ( 0.000 -0.000 0.792) 0.792 29.400 ( 0.000 -0.000 3.974) 3.974 29.523 ( 0.000 -0.000 1.960) 1.960 30.016 ( 0.000 -0.000 2.324) 2.324 30.233 ( -0.000 0.000 -5.338) 5.338 30.355 ( 0.000 -0.000 1.532) 1.532 30.361 ( -0.000 0.000 -1.941) 1.941 30.785 ( -0.000 0.000 -0.448) 0.448 ======================= Grid point 167 (90/96) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -21.900 -1.928 0.000) 21.984 4.164 ( -3.781 2.927 0.000) 4.782 4.456 ( 4.955 1.033 -0.000) 5.061 5.420 ( -26.904 31.962 0.000) 41.778 5.693 ( -2.565 6.803 0.000) 7.271 5.739 ( 6.443 2.235 0.000) 6.819 6.443 ( -4.001 -5.158 -0.000) 6.528 6.506 ( -3.561 29.356 0.000) 29.571 6.852 ( -17.758 17.033 0.000) 24.606 7.223 ( 0.590 5.268 0.000) 5.301 8.671 ( -3.654 25.060 0.000) 25.325 8.883 ( 7.963 -10.783 -0.000) 13.404 9.636 ( -2.868 0.997 0.000) 3.037 10.156 ( -4.567 -12.108 -0.000) 12.941 10.215 ( 5.373 0.016 -0.000) 5.373 10.570 ( 3.783 -26.916 -0.000) 27.181 11.060 ( -37.572 -12.802 -0.000) 39.693 11.128 ( -28.455 2.939 0.000) 28.607 11.439 ( -0.826 -16.811 -0.000) 16.831 12.617 ( 15.505 8.294 0.000) 17.584 13.105 ( -14.761 11.822 0.000) 18.912 13.133 ( 3.918 15.031 0.000) 15.534 13.801 ( -7.012 -11.210 -0.000) 13.223 14.509 ( 16.014 1.481 -0.000) 16.083 15.668 ( 9.229 -14.468 -0.000) 17.160 15.687 ( -1.486 4.978 0.000) 5.195 15.881 ( 13.255 6.658 0.000) 14.833 16.085 ( 7.916 0.294 -0.000) 7.921 16.158 ( -3.359 1.342 0.000) 3.618 16.497 ( 3.000 3.796 0.000) 4.839 16.837 ( -0.535 -1.431 -0.000) 1.528 16.977 ( -19.518 2.417 0.000) 19.667 17.024 ( 6.882 -7.643 -0.000) 10.285 17.337 ( -10.411 6.524 0.000) 12.286 17.342 ( -1.329 0.096 0.000) 1.333 17.591 ( 8.301 0.122 -0.000) 8.302 17.625 ( -2.199 -6.269 -0.000) 6.644 17.855 ( -0.474 1.276 0.000) 1.361 17.885 ( 10.693 4.363 0.000) 11.549 18.300 ( -9.596 6.642 0.000) 11.670 18.350 ( -4.506 -8.507 -0.000) 9.626 18.568 ( -10.980 -2.359 0.000) 11.231 18.647 ( 9.279 -18.770 -0.000) 20.939 19.234 ( -5.354 -1.062 0.000) 5.458 19.252 ( 1.084 2.247 0.000) 2.494 19.678 ( -15.655 -11.999 -0.000) 19.725 19.958 ( 24.387 2.314 -0.000) 24.497 20.081 ( 32.297 -3.455 -0.000) 32.482 20.151 ( 20.875 -1.063 -0.000) 20.902 20.559 ( -1.723 2.045 0.000) 2.674 20.732 ( 8.355 -1.694 -0.000) 8.525 20.869 ( 1.050 -7.604 -0.000) 7.676 21.046 ( -12.844 -1.411 0.000) 12.922 21.252 ( 4.512 5.277 0.000) 6.943 21.385 ( -2.233 4.410 0.000) 4.943 21.494 ( -8.357 1.002 0.000) 8.417 21.497 ( -7.158 0.010 0.000) 7.158 21.723 ( -3.053 -2.811 -0.000) 4.150 21.767 ( -6.885 11.450 0.000) 13.360 21.932 ( -12.971 1.217 0.000) 13.028 22.078 ( -4.241 -3.283 -0.000) 5.363 22.187 ( 0.369 9.481 0.000) 9.488 22.515 ( -15.122 -7.517 -0.000) 16.887 23.270 ( 4.527 -5.213 -0.000) 6.904 23.344 ( -5.325 1.615 0.000) 5.565 23.479 ( -5.803 -5.467 -0.000) 7.973 23.553 ( 3.093 0.795 -0.000) 3.194 23.907 ( 0.266 2.505 0.000) 2.519 24.044 ( 11.299 -0.092 -0.000) 11.299 24.083 ( 8.029 5.643 0.000) 9.814 24.156 ( 1.422 -6.253 -0.000) 6.413 24.328 ( -2.134 0.665 0.000) 2.236 24.410 ( -0.277 1.326 0.000) 1.354 24.633 ( -0.843 -3.260 -0.000) 3.368 24.958 ( 0.075 0.165 0.000) 0.182 25.097 ( 19.475 -0.223 -0.000) 19.476 25.158 ( 2.044 8.246 0.000) 8.495 26.199 ( 19.749 7.117 0.000) 20.992 26.730 ( -3.353 -3.075 -0.000) 4.550 26.962 ( -4.751 0.602 0.000) 4.789 26.969 ( 0.639 3.730 0.000) 3.785 27.079 ( 2.486 0.307 -0.000) 2.505 27.219 ( -3.240 -1.333 -0.000) 3.504 27.878 ( -2.257 4.755 0.000) 5.263 28.096 ( 6.787 3.911 0.000) 7.833 28.438 ( -2.792 2.189 0.000) 3.548 28.494 ( 5.146 -1.546 -0.000) 5.373 28.544 ( 3.336 -5.342 -0.000) 6.297 29.134 ( -1.838 -4.238 -0.000) 4.619 29.336 ( -8.032 2.811 0.000) 8.509 29.584 ( -5.827 -3.496 -0.000) 6.795 29.972 ( 1.113 -1.791 -0.000) 2.108 30.294 ( -1.944 0.275 0.000) 1.964 30.308 ( -2.187 5.909 0.000) 6.300 30.378 ( 1.105 1.490 0.000) 1.855 30.869 ( -0.870 -2.141 -0.000) 2.311 ======================= Grid point 176 (91/96) ======================= q-point: (-0.35 0.52 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -19.549 0.000 0.467) 19.555 4.224 ( -2.160 0.000 2.219) 3.097 4.437 ( 5.613 -0.000 -2.589) 6.181 5.386 ( 2.550 0.000 -11.441) 11.722 5.740 ( -4.531 0.000 -0.497) 4.558 6.131 ( 2.271 0.000 -15.088) 15.258 6.506 ( -13.690 -0.000 42.115) 44.284 6.767 ( 2.723 -0.000 1.896) 3.318 7.342 ( 4.984 -0.000 3.927) 6.345 7.540 ( -35.006 0.000 27.895) 44.761 8.303 ( 16.970 -0.000 -19.225) 25.643 9.070 ( -19.364 0.000 -56.811) 60.020 9.128 ( 18.699 -0.000 20.587) 27.811 9.473 ( -20.259 0.000 -27.977) 34.541 10.221 ( 4.694 -0.000 0.087) 4.695 10.646 ( -32.899 0.000 -2.711) 33.011 11.210 ( -1.570 -0.000 38.968) 38.999 11.229 ( -2.409 0.000 -1.693) 2.944 11.578 ( -22.220 0.000 25.458) 33.791 12.447 ( 9.837 0.000 -29.484) 31.081 13.211 ( -6.219 0.000 -0.906) 6.284 13.326 ( -14.594 0.000 -10.678) 18.083 13.561 ( -4.140 0.000 6.724) 7.896 14.163 ( 14.144 -0.000 -29.955) 33.126 15.403 ( -5.504 0.000 -18.306) 19.115 15.449 ( 7.689 -0.000 -6.110) 9.821 15.907 ( 4.710 -0.000 -8.216) 9.471 16.200 ( 13.663 -0.000 10.654) 17.326 16.338 ( 12.284 -0.000 7.522) 14.404 16.703 ( 7.299 -0.000 11.609) 13.713 16.836 ( -1.717 -0.000 5.093) 5.375 16.985 ( 2.318 -0.000 0.158) 2.324 17.068 ( -16.157 0.000 4.580) 16.793 17.408 ( -4.093 0.000 5.250) 6.657 17.435 ( 7.870 -0.000 4.106) 8.877 17.571 ( 12.785 -0.000 -6.246) 14.229 17.663 ( -7.541 0.000 7.958) 10.963 17.760 ( 5.582 -0.000 -4.845) 7.391 18.107 ( 7.446 -0.000 9.921) 12.405 18.228 ( -3.327 0.000 6.296) 7.121 18.367 ( -4.477 0.000 -1.280) 4.656 18.489 ( -20.699 0.000 -2.404) 20.838 18.549 ( 3.247 -0.000 9.197) 9.754 19.282 ( -9.525 0.000 1.847) 9.702 19.318 ( 4.585 -0.000 -0.117) 4.586 19.451 ( -18.723 0.000 -4.719) 19.308 19.568 ( 19.502 -0.000 -22.175) 29.531 20.087 ( 37.625 -0.000 4.517) 37.895 20.414 ( 4.264 -0.000 -4.357) 6.096 20.649 ( -2.778 0.000 5.703) 6.343 20.751 ( 1.014 -0.000 0.613) 1.185 20.838 ( -9.805 0.000 -1.852) 9.978 20.920 ( 5.611 -0.000 15.457) 16.444 21.208 ( 6.009 -0.000 -6.050) 8.527 21.395 ( 4.407 -0.000 3.757) 5.791 21.483 ( -9.824 0.000 0.707) 9.850 21.671 ( -0.784 0.000 -2.294) 2.425 21.835 ( -5.844 -0.000 15.640) 16.696 21.954 ( -7.043 0.000 -3.332) 7.791 21.970 ( -9.448 0.000 6.379) 11.400 21.983 ( -5.049 0.000 0.198) 5.053 22.312 ( -1.620 0.000 -0.883) 1.845 22.573 ( -8.549 0.000 11.203) 14.092 23.168 ( 3.168 -0.000 -1.616) 3.557 23.439 ( -5.695 0.000 1.335) 5.849 23.501 ( -5.053 -0.000 13.375) 14.297 23.575 ( 2.758 -0.000 1.659) 3.218 23.819 ( 16.017 -0.000 -14.731) 21.761 23.927 ( -1.026 0.000 -1.436) 1.764 23.990 ( 4.432 -0.000 -8.698) 9.762 24.185 ( 0.509 -0.000 0.409) 0.653 24.266 ( -5.982 0.000 -4.830) 7.688 24.502 ( 1.913 -0.000 4.982) 5.337 24.714 ( 5.489 -0.000 7.321) 9.150 24.872 ( -0.829 0.000 -6.902) 6.951 25.011 ( 13.711 -0.000 -6.669) 15.247 25.207 ( 2.208 -0.000 -4.420) 4.940 26.198 ( 16.593 -0.000 -6.871) 17.959 26.670 ( -0.988 0.000 -1.239) 1.585 26.961 ( -5.811 0.000 -1.270) 5.948 27.025 ( -1.883 0.000 0.064) 1.884 27.091 ( 3.960 -0.000 1.416) 4.206 27.185 ( -1.066 0.000 -1.101) 1.532 27.866 ( 0.960 0.000 -5.697) 5.777 28.133 ( 6.336 -0.000 0.542) 6.360 28.387 ( 6.937 -0.000 -5.599) 8.914 28.539 ( -5.632 0.000 5.835) 8.110 28.541 ( 2.405 -0.000 2.452) 3.435 29.106 ( -1.528 0.000 1.407) 2.077 29.403 ( -8.183 0.000 3.337) 8.838 29.556 ( -5.642 0.000 0.666) 5.681 29.965 ( 1.005 -0.000 1.063) 1.463 30.321 ( -1.249 0.000 2.192) 2.523 30.339 ( -1.357 0.000 -2.798) 3.110 30.382 ( 1.059 -0.000 -1.029) 1.477 30.828 ( -1.498 0.000 -1.509) 2.127 ======================= Grid point 186 (92/96) ======================= q-point: (-0.37 0.37 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -25.041 0.000 0.000) 25.041 4.260 ( -3.107 0.000 0.000) 3.107 4.315 ( 8.894 -0.000 -0.000) 8.894 5.477 ( 14.877 -0.000 -0.000) 14.877 5.858 ( -5.698 0.000 0.000) 5.698 6.332 ( 0.815 -0.000 -0.000) 0.815 6.513 ( 9.203 -0.000 -0.000) 9.203 6.683 ( -51.383 0.000 0.000) 51.383 7.228 ( 2.502 -0.000 -0.000) 2.502 8.038 ( -34.878 0.000 0.000) 34.878 8.113 ( 15.010 -0.000 -0.000) 15.010 8.620 ( 2.716 -0.000 -0.000) 2.716 9.866 ( 26.716 -0.000 -0.000) 26.716 9.906 ( -2.577 0.000 0.000) 2.577 10.383 ( -6.502 0.000 0.000) 6.502 10.819 ( -41.076 0.000 0.000) 41.076 11.279 ( 0.224 -0.000 -0.000) 0.224 11.798 ( -16.032 0.000 0.000) 16.032 11.947 ( -33.855 0.000 0.000) 33.855 12.201 ( -2.485 0.000 0.000) 2.485 13.422 ( -5.200 0.000 0.000) 5.200 13.468 ( 0.167 -0.000 -0.000) 0.167 13.733 ( -10.434 0.000 0.000) 10.434 14.195 ( 11.831 -0.000 -0.000) 11.831 15.335 ( 8.372 -0.000 -0.000) 8.372 15.664 ( 12.893 -0.000 -0.000) 12.893 15.678 ( 25.056 -0.000 -0.000) 25.056 15.951 ( -14.164 0.000 0.000) 14.164 16.282 ( -2.990 0.000 0.000) 2.990 16.459 ( 2.218 -0.000 -0.000) 2.218 16.709 ( 11.070 -0.000 -0.000) 11.070 16.867 ( 1.670 -0.000 -0.000) 1.670 17.267 ( 10.785 -0.000 -0.000) 10.785 17.342 ( 6.469 -0.000 -0.000) 6.469 17.508 ( -21.436 0.000 0.000) 21.436 17.521 ( -6.385 0.000 0.000) 6.385 17.698 ( -5.950 0.000 0.000) 5.950 17.712 ( 11.769 -0.000 -0.000) 11.769 17.756 ( -2.012 0.000 0.000) 2.012 18.183 ( -4.404 0.000 0.000) 4.404 18.484 ( -3.023 0.000 0.000) 3.023 18.502 ( -7.624 0.000 0.000) 7.624 18.946 ( -15.543 0.000 0.000) 15.543 19.159 ( 8.560 -0.000 -0.000) 8.560 19.176 ( 15.625 -0.000 -0.000) 15.625 19.512 ( 0.955 -0.000 -0.000) 0.955 19.689 ( 7.563 -0.000 -0.000) 7.563 19.764 ( 17.281 -0.000 -0.000) 17.281 19.908 ( -13.998 0.000 0.000) 13.998 20.466 ( 15.456 -0.000 -0.000) 15.456 20.583 ( -0.343 0.000 0.000) 0.343 20.810 ( -0.163 0.000 0.000) 0.163 21.023 ( 11.862 -0.000 -0.000) 11.862 21.283 ( -2.052 0.000 0.000) 2.052 21.502 ( 0.979 -0.000 -0.000) 0.979 21.604 ( -3.272 0.000 0.000) 3.272 21.752 ( -14.127 0.000 0.000) 14.127 21.774 ( -5.075 0.000 0.000) 5.075 22.002 ( 3.736 -0.000 -0.000) 3.736 22.172 ( -11.761 0.000 0.000) 11.761 22.191 ( -9.669 0.000 0.000) 9.669 22.413 ( -8.743 0.000 0.000) 8.743 22.757 ( -17.763 0.000 0.000) 17.763 23.094 ( 5.681 -0.000 -0.000) 5.681 23.451 ( 8.368 -0.000 -0.000) 8.368 23.492 ( -4.640 0.000 0.000) 4.640 23.577 ( -9.034 0.000 0.000) 9.034 23.736 ( 16.603 -0.000 -0.000) 16.603 23.772 ( 12.146 -0.000 -0.000) 12.146 24.057 ( 1.356 -0.000 -0.000) 1.356 24.101 ( -4.148 0.000 0.000) 4.148 24.247 ( 14.269 -0.000 -0.000) 14.269 24.413 ( 1.751 -0.000 -0.000) 1.751 24.606 ( 0.361 -0.000 -0.000) 0.361 24.686 ( 10.207 -0.000 -0.000) 10.207 24.937 ( 2.206 -0.000 -0.000) 2.206 25.186 ( 4.040 -0.000 -0.000) 4.040 25.882 ( 16.439 -0.000 -0.000) 16.439 26.730 ( -1.171 0.000 0.000) 1.171 26.981 ( 4.658 -0.000 -0.000) 4.658 27.016 ( -0.114 0.000 0.000) 0.114 27.028 ( -0.292 0.000 0.000) 0.292 27.277 ( -3.181 0.000 0.000) 3.181 27.968 ( -1.483 0.000 0.000) 1.483 28.010 ( 4.429 -0.000 -0.000) 4.429 28.274 ( 11.595 -0.000 -0.000) 11.595 28.408 ( 3.710 -0.000 -0.000) 3.710 28.551 ( -2.542 0.000 0.000) 2.542 29.131 ( -2.527 0.000 0.000) 2.527 29.582 ( -10.571 0.000 0.000) 10.571 29.696 ( -7.163 0.000 0.000) 7.163 29.937 ( 0.724 -0.000 -0.000) 0.724 30.348 ( -3.720 0.000 0.000) 3.720 30.358 ( 1.890 -0.000 -0.000) 1.890 30.396 ( -1.073 0.000 0.000) 1.073 30.878 ( -1.178 0.000 0.000) 1.178 ======================= Grid point 199 (93/96) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.000 0.719 0.000) 0.719 4.108 ( -0.000 4.641 0.000) 4.641 4.511 ( -0.000 1.079 0.000) 1.079 5.123 ( -0.000 29.215 0.000) 29.215 5.617 ( -0.000 12.745 0.000) 12.745 5.874 ( -0.000 1.067 0.000) 1.067 6.335 ( -0.000 38.745 0.000) 38.745 6.410 ( 0.000 -3.371 -0.000) 3.371 6.731 ( -0.000 4.071 0.000) 4.071 7.233 ( -0.000 7.836 0.000) 7.836 8.645 ( -0.000 68.809 0.000) 68.809 8.998 ( 0.000 -7.718 -0.000) 7.718 9.661 ( 0.000 -21.771 -0.000) 21.771 10.208 ( 0.000 -28.826 -0.000) 28.826 10.261 ( -0.000 0.399 0.000) 0.399 10.498 ( 0.000 -18.233 -0.000) 18.233 10.636 ( 0.000 -32.188 -0.000) 32.188 10.755 ( 0.000 -4.202 -0.000) 4.202 11.432 ( 0.000 -16.120 -0.000) 16.120 12.790 ( -0.000 23.347 0.000) 23.347 12.936 ( -0.000 15.996 0.000) 15.996 13.183 ( -0.000 2.168 0.000) 2.168 13.730 ( 0.000 -9.984 -0.000) 9.984 14.724 ( -0.000 5.057 0.000) 5.057 15.622 ( 0.000 -1.257 -0.000) 1.257 15.756 ( 0.000 -15.243 -0.000) 15.243 16.066 ( -0.000 4.399 0.000) 4.399 16.117 ( -0.000 1.438 0.000) 1.438 16.213 ( -0.000 6.282 0.000) 6.282 16.521 ( -0.000 0.958 0.000) 0.958 16.755 ( -0.000 1.881 0.000) 1.881 16.806 ( 0.000 -6.134 -0.000) 6.134 17.164 ( 0.000 -3.106 -0.000) 3.106 17.223 ( -0.000 9.507 0.000) 9.507 17.288 ( 0.000 -0.825 -0.000) 0.825 17.553 ( 0.000 -1.940 -0.000) 1.940 17.761 ( -0.000 3.032 0.000) 3.032 17.795 ( -0.000 3.413 0.000) 3.413 17.993 ( -0.000 6.560 0.000) 6.560 18.207 ( -0.000 7.319 0.000) 7.319 18.274 ( -0.000 1.296 0.000) 1.296 18.475 ( 0.000 -4.549 -0.000) 4.549 18.775 ( 0.000 -33.100 -0.000) 33.100 19.165 ( 0.000 -1.441 -0.000) 1.441 19.269 ( -0.000 9.738 0.000) 9.738 19.458 ( 0.000 -14.907 -0.000) 14.907 20.213 ( -0.000 4.386 0.000) 4.386 20.474 ( -0.000 2.288 0.000) 2.288 20.520 ( 0.000 -2.343 -0.000) 2.343 20.747 ( 0.000 -1.972 -0.000) 1.972 20.782 ( 0.000 -3.306 -0.000) 3.306 20.878 ( 0.000 -11.011 -0.000) 11.011 20.938 ( -0.000 0.527 0.000) 0.527 20.952 ( -0.000 0.052 0.000) 0.052 21.304 ( -0.000 5.494 0.000) 5.494 21.431 ( -0.000 0.472 0.000) 0.472 21.479 ( 0.000 -5.909 -0.000) 5.909 21.651 ( -0.000 9.736 0.000) 9.736 21.697 ( 0.000 -0.865 -0.000) 0.865 21.792 ( -0.000 0.379 0.000) 0.379 22.032 ( 0.000 -4.031 -0.000) 4.031 22.209 ( -0.000 10.302 0.000) 10.302 22.331 ( 0.000 -1.903 -0.000) 1.903 23.286 ( -0.000 1.444 0.000) 1.444 23.343 ( 0.000 -8.989 -0.000) 8.989 23.393 ( 0.000 -2.718 -0.000) 2.718 23.584 ( -0.000 0.584 0.000) 0.584 23.896 ( -0.000 2.481 0.000) 2.481 24.172 ( 0.000 -5.646 -0.000) 5.646 24.181 ( 0.000 -0.088 -0.000) 0.088 24.187 ( -0.000 5.526 0.000) 5.526 24.296 ( -0.000 1.496 0.000) 1.496 24.396 ( -0.000 1.488 0.000) 1.488 24.621 ( 0.000 -3.274 -0.000) 3.274 24.957 ( -0.000 0.428 0.000) 0.428 25.169 ( -0.000 8.941 0.000) 8.941 25.336 ( 0.000 -0.059 -0.000) 0.059 26.498 ( -0.000 6.659 0.000) 6.659 26.657 ( -0.000 0.448 0.000) 0.448 26.865 ( 0.000 -3.089 -0.000) 3.089 26.974 ( -0.000 3.545 0.000) 3.545 27.110 ( -0.000 1.155 0.000) 1.155 27.180 ( 0.000 -0.865 -0.000) 0.865 27.850 ( -0.000 4.948 0.000) 4.948 28.196 ( -0.000 4.914 0.000) 4.914 28.371 ( -0.000 0.609 0.000) 0.609 28.561 ( 0.000 -1.392 -0.000) 1.392 28.582 ( 0.000 -5.420 -0.000) 5.420 29.114 ( 0.000 -3.861 -0.000) 3.861 29.247 ( -0.000 2.111 0.000) 2.111 29.517 ( 0.000 -3.552 -0.000) 3.552 29.987 ( 0.000 -2.290 -0.000) 2.290 30.274 ( -0.000 0.904 0.000) 0.904 30.281 ( -0.000 7.013 0.000) 7.013 30.390 ( -0.000 1.615 0.000) 1.615 30.858 ( 0.000 -2.800 -0.000) 2.800 ======================= Grid point 209 (94/96) ======================= q-point: (-0.42 0.58 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.000 -0.000 1.082) 1.082 4.199 ( 0.000 -0.000 3.145) 3.145 4.497 ( -0.000 0.000 -2.152) 2.152 5.417 ( -0.000 0.000 -3.374) 3.374 5.690 ( -0.000 0.000 -0.095) 0.095 6.160 ( -0.000 0.000 -14.757) 14.757 6.376 ( 0.000 -0.000 46.504) 46.504 6.797 ( -0.000 0.000 -0.153) 0.153 7.105 ( 0.000 -0.000 25.611) 25.611 7.407 ( 0.000 -0.000 5.921) 5.921 8.762 ( -0.000 0.000 -49.697) 49.697 8.791 ( -0.000 0.000 -7.881) 7.881 8.872 ( -0.000 0.000 -63.004) 63.004 9.839 ( 0.000 -0.000 16.084) 16.084 9.938 ( 0.000 -0.000 3.779) 3.779 10.270 ( 0.000 -0.000 0.451) 0.451 11.146 ( 0.000 -0.000 30.599) 30.599 11.197 ( 0.000 -0.000 40.407) 40.407 11.370 ( 0.000 -0.000 8.628) 8.628 12.617 ( -0.000 0.000 -50.892) 50.892 13.106 ( 0.000 -0.000 0.607) 0.607 13.134 ( -0.000 0.000 -6.589) 6.589 13.537 ( 0.000 -0.000 5.851) 5.851 14.345 ( -0.000 0.000 -34.988) 34.988 15.340 ( -0.000 0.000 -17.028) 17.028 15.524 ( -0.000 0.000 -6.984) 6.984 15.952 ( -0.000 0.000 -3.898) 3.898 16.371 ( 0.000 -0.000 14.758) 14.758 16.615 ( 0.000 -0.000 15.567) 15.567 16.704 ( 0.000 -0.000 1.991) 1.991 16.749 ( 0.000 -0.000 10.483) 10.483 16.865 ( 0.000 -0.000 5.333) 5.333 17.065 ( -0.000 0.000 -3.668) 3.668 17.364 ( 0.000 -0.000 11.223) 11.223 17.455 ( 0.000 -0.000 14.386) 14.386 17.537 ( 0.000 -0.000 6.672) 6.672 17.882 ( -0.000 0.000 -15.516) 15.516 17.929 ( 0.000 -0.000 6.669) 6.669 18.017 ( -0.000 0.000 -9.378) 9.378 18.189 ( -0.000 0.000 -8.229) 8.229 18.246 ( 0.000 -0.000 10.751) 10.751 18.325 ( -0.000 0.000 -0.075) 0.075 18.592 ( 0.000 -0.000 14.178) 14.178 19.143 ( -0.000 0.000 -14.065) 14.065 19.234 ( 0.000 -0.000 6.242) 6.242 19.347 ( -0.000 0.000 -2.324) 2.324 19.952 ( -0.000 0.000 -16.623) 16.623 20.256 ( -0.000 0.000 -30.891) 30.891 20.595 ( 0.000 -0.000 5.134) 5.134 20.601 ( -0.000 0.000 -8.242) 8.242 20.793 ( 0.000 -0.000 12.099) 12.099 20.956 ( 0.000 -0.000 2.049) 2.049 20.986 ( 0.000 -0.000 19.517) 19.517 21.102 ( 0.000 -0.000 8.613) 8.613 21.310 ( -0.000 0.000 -0.995) 0.995 21.450 ( 0.000 -0.000 3.488) 3.488 21.677 ( -0.000 0.000 -0.440) 0.440 21.767 ( 0.000 -0.000 21.889) 21.889 21.801 ( -0.000 0.000 -0.642) 0.642 21.832 ( 0.000 -0.000 7.429) 7.429 21.969 ( -0.000 0.000 -0.771) 0.771 22.300 ( -0.000 0.000 -1.375) 1.375 22.496 ( 0.000 -0.000 10.891) 10.891 23.201 ( -0.000 0.000 -1.258) 1.258 23.375 ( 0.000 -0.000 0.776) 0.776 23.442 ( 0.000 -0.000 13.904) 13.904 23.602 ( 0.000 -0.000 1.374) 1.374 23.913 ( -0.000 0.000 -0.754) 0.754 24.028 ( -0.000 0.000 -15.112) 15.112 24.074 ( -0.000 0.000 -4.073) 4.073 24.161 ( -0.000 0.000 -1.668) 1.668 24.166 ( -0.000 0.000 -9.938) 9.938 24.525 ( 0.000 -0.000 4.959) 4.959 24.748 ( 0.000 -0.000 11.326) 11.326 24.860 ( -0.000 0.000 -7.946) 7.946 25.195 ( -0.000 0.000 -13.160) 13.160 25.231 ( -0.000 0.000 -3.571) 3.571 26.429 ( -0.000 0.000 -12.180) 12.180 26.655 ( 0.000 -0.000 0.585) 0.585 26.853 ( 0.000 -0.000 0.572) 0.572 26.998 ( -0.000 0.000 -1.703) 1.703 27.136 ( 0.000 -0.000 1.508) 1.508 27.176 ( 0.000 -0.000 1.011) 1.011 27.872 ( -0.000 0.000 -3.263) 3.263 28.239 ( 0.000 -0.000 0.185) 0.185 28.443 ( 0.000 -0.000 5.607) 5.607 28.471 ( -0.000 0.000 -4.809) 4.809 28.558 ( 0.000 -0.000 0.801) 0.801 29.089 ( 0.000 -0.000 1.296) 1.296 29.313 ( 0.000 -0.000 3.859) 3.859 29.492 ( 0.000 -0.000 1.015) 1.015 29.978 ( 0.000 -0.000 1.323) 1.323 30.308 ( 0.000 -0.000 2.259) 2.259 30.322 ( -0.000 0.000 -3.052) 3.052 30.394 ( -0.000 0.000 -1.124) 1.124 30.810 ( -0.000 0.000 -1.392) 1.392 ======================= Grid point 219 (95/96) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -20.129 0.000 0.000) 20.129 4.188 ( -3.422 0.000 0.000) 3.422 4.466 ( 5.151 -0.000 -0.000) 5.151 5.740 ( -4.649 0.000 0.000) 4.649 5.745 ( 10.526 -0.000 -0.000) 10.526 5.779 ( -31.829 0.000 0.000) 31.829 6.347 ( 0.604 -0.000 -0.000) 0.604 6.693 ( 6.786 -0.000 -0.000) 6.786 7.261 ( -34.845 0.000 0.000) 34.845 7.292 ( 3.172 -0.000 -0.000) 3.172 8.627 ( 33.769 -0.000 -0.000) 33.769 8.771 ( 10.268 -0.000 -0.000) 10.268 9.810 ( -4.988 0.000 0.000) 4.988 10.191 ( -18.153 0.000 0.000) 18.153 10.208 ( 7.254 -0.000 -0.000) 7.254 10.304 ( -1.092 0.000 0.000) 1.092 10.773 ( -55.338 0.000 0.000) 55.338 11.147 ( -35.077 0.000 0.000) 35.077 11.280 ( -1.074 0.000 0.000) 1.074 12.736 ( 27.779 -0.000 -0.000) 27.779 13.228 ( -10.651 0.000 0.000) 10.651 13.479 ( 0.435 -0.000 -0.000) 0.435 13.486 ( -12.320 0.000 0.000) 12.320 14.526 ( 18.459 -0.000 -0.000) 18.459 15.524 ( 7.105 -0.000 -0.000) 7.105 15.742 ( -8.720 0.000 0.000) 8.720 15.941 ( 12.865 -0.000 -0.000) 12.865 16.088 ( 15.334 -0.000 -0.000) 15.334 16.186 ( -4.272 0.000 0.000) 4.272 16.530 ( 2.352 -0.000 -0.000) 2.352 16.772 ( -2.569 0.000 0.000) 2.569 16.978 ( 9.017 -0.000 -0.000) 9.017 17.002 ( -19.606 0.000 0.000) 19.606 17.332 ( -8.887 0.000 0.000) 8.887 17.350 ( -2.677 0.000 0.000) 2.677 17.588 ( -4.258 0.000 0.000) 4.258 17.722 ( 23.532 -0.000 -0.000) 23.532 17.867 ( 1.774 -0.000 -0.000) 1.774 17.936 ( 11.877 -0.000 -0.000) 11.877 18.135 ( -1.000 0.000 0.000) 1.000 18.388 ( -2.097 0.000 0.000) 2.097 18.468 ( -2.357 0.000 0.000) 2.357 18.517 ( -18.368 0.000 0.000) 18.368 19.220 ( -5.331 0.000 0.000) 5.331 19.312 ( 5.421 -0.000 -0.000) 5.421 19.537 ( -18.766 0.000 0.000) 18.766 19.993 ( 16.755 -0.000 -0.000) 16.755 20.029 ( 40.703 -0.000 -0.000) 40.703 20.153 ( 19.741 -0.000 -0.000) 19.741 20.582 ( -1.802 0.000 0.000) 1.802 20.713 ( 7.950 -0.000 -0.000) 7.950 20.778 ( -2.229 0.000 0.000) 2.229 21.037 ( -12.462 0.000 0.000) 12.462 21.308 ( 4.602 -0.000 -0.000) 4.602 21.440 ( -3.818 0.000 0.000) 3.818 21.475 ( -11.866 0.000 0.000) 11.866 21.499 ( -7.195 0.000 0.000) 7.195 21.697 ( -1.551 0.000 0.000) 1.551 21.897 ( -13.071 0.000 0.000) 13.071 21.971 ( -9.405 0.000 0.000) 9.405 22.045 ( -4.813 0.000 0.000) 4.813 22.320 ( -1.194 0.000 0.000) 1.194 22.414 ( -9.309 0.000 0.000) 9.309 23.185 ( 2.770 -0.000 -0.000) 2.770 23.359 ( -5.453 0.000 0.000) 5.453 23.425 ( -5.276 0.000 0.000) 5.276 23.559 ( 2.911 -0.000 -0.000) 2.911 23.933 ( 0.224 -0.000 -0.000) 0.224 24.043 ( 11.725 -0.000 -0.000) 11.725 24.095 ( 1.865 -0.000 -0.000) 1.865 24.143 ( 7.846 -0.000 -0.000) 7.846 24.331 ( -1.256 0.000 0.000) 1.256 24.425 ( -0.461 0.000 0.000) 0.461 24.599 ( -0.769 0.000 0.000) 0.769 24.961 ( 0.340 -0.000 -0.000) 0.340 25.091 ( 20.650 -0.000 -0.000) 20.650 25.243 ( 1.533 -0.000 -0.000) 1.533 26.271 ( 19.437 -0.000 -0.000) 19.437 26.689 ( -2.686 0.000 0.000) 2.686 26.976 ( -5.403 0.000 0.000) 5.403 27.013 ( -0.100 0.000 0.000) 0.100 27.076 ( 3.816 -0.000 -0.000) 3.816 27.205 ( -3.054 0.000 0.000) 3.054 27.930 ( -2.039 0.000 0.000) 2.039 28.135 ( 6.953 -0.000 -0.000) 6.953 28.468 ( -5.148 0.000 0.000) 5.148 28.473 ( 6.908 -0.000 -0.000) 6.908 28.486 ( 3.242 -0.000 -0.000) 3.242 29.089 ( -1.447 0.000 0.000) 1.447 29.364 ( -8.610 0.000 0.000) 8.610 29.550 ( -5.914 0.000 0.000) 5.914 29.954 ( 0.800 -0.000 -0.000) 0.800 30.297 ( -1.419 0.000 0.000) 1.419 30.369 ( -1.240 0.000 0.000) 1.240 30.392 ( 1.224 -0.000 -0.000) 1.224 30.845 ( -1.564 0.000 0.000) 1.564 ======================= Grid point 252 (96/96) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.000 0.000 0.000) 0.000 4.144 ( -0.000 0.000 0.000) 0.000 4.521 ( -0.000 0.000 0.000) 0.000 5.435 ( -0.000 0.000 0.000) 0.000 5.688 ( -0.000 0.000 0.000) 0.000 5.880 ( -0.000 0.000 0.000) 0.000 6.354 ( -0.000 0.000 0.000) 0.000 6.767 ( -0.000 0.000 0.000) 0.000 6.832 ( -0.000 0.000 0.000) 0.000 7.331 ( -0.000 0.000 0.000) 0.000 8.923 ( -0.000 0.000 0.000) 0.000 9.354 ( -0.000 0.000 0.000) 0.000 9.617 ( -0.000 0.000 0.000) 0.000 9.950 ( -0.000 0.000 0.000) 0.000 10.012 ( 0.000 -0.000 -0.000) 0.000 10.265 ( -0.000 0.000 0.000) 0.000 10.302 ( -0.000 0.000 0.000) 0.000 10.709 ( -0.000 0.000 0.000) 0.000 11.274 ( -0.000 0.000 0.000) 0.000 13.097 ( -0.000 0.000 0.000) 0.000 13.193 ( 0.000 -0.000 -0.000) 0.000 13.204 ( -0.000 0.000 0.000) 0.000 13.483 ( -0.000 0.000 0.000) 0.000 14.785 ( -0.000 0.000 0.000) 0.000 15.599 ( -0.000 0.000 0.000) 0.000 15.605 ( -0.000 0.000 0.000) 0.000 16.115 ( -0.000 0.000 0.000) 0.000 16.141 ( -0.000 0.000 0.000) 0.000 16.279 ( -0.000 0.000 0.000) 0.000 16.529 ( -0.000 0.000 0.000) 0.000 16.715 ( -0.000 0.000 0.000) 0.000 16.774 ( -0.000 0.000 0.000) 0.000 17.127 ( -0.000 0.000 0.000) 0.000 17.238 ( -0.000 0.000 0.000) 0.000 17.301 ( -0.000 0.000 0.000) 0.000 17.535 ( -0.000 0.000 0.000) 0.000 17.829 ( -0.000 0.000 0.000) 0.000 18.061 ( -0.000 0.000 0.000) 0.000 18.125 ( 0.000 -0.000 -0.000) 0.000 18.180 ( -0.000 0.000 0.000) 0.000 18.287 ( -0.000 0.000 0.000) 0.000 18.325 ( -0.000 0.000 0.000) 0.000 18.382 ( 0.000 -0.000 -0.000) 0.000 19.150 ( -0.000 0.000 0.000) 0.000 19.298 ( -0.000 0.000 0.000) 0.000 19.370 ( -0.000 0.000 0.000) 0.000 20.247 ( -0.000 0.000 0.000) 0.000 20.499 ( -0.000 0.000 0.000) 0.000 20.501 ( -0.000 0.000 0.000) 0.000 20.741 ( 0.000 -0.000 -0.000) 0.000 20.749 ( -0.000 0.000 0.000) 0.000 20.749 ( -0.000 0.000 0.000) 0.000 20.943 ( -0.000 0.000 0.000) 0.000 20.950 ( -0.000 0.000 0.000) 0.000 21.364 ( -0.000 0.000 0.000) 0.000 21.416 ( -0.000 0.000 0.000) 0.000 21.439 ( -0.000 0.000 0.000) 0.000 21.689 ( -0.000 0.000 0.000) 0.000 21.723 ( -0.000 0.000 0.000) 0.000 21.821 ( -0.000 0.000 0.000) 0.000 21.991 ( -0.000 0.000 0.000) 0.000 22.314 ( -0.000 0.000 0.000) 0.000 22.357 ( 0.000 -0.000 -0.000) 0.000 23.213 ( -0.000 0.000 0.000) 0.000 23.298 ( -0.000 0.000 0.000) 0.000 23.367 ( -0.000 0.000 0.000) 0.000 23.589 ( -0.000 0.000 0.000) 0.000 23.922 ( -0.000 0.000 0.000) 0.000 24.118 ( -0.000 0.000 0.000) 0.000 24.180 ( -0.000 0.000 0.000) 0.000 24.241 ( -0.000 0.000 0.000) 0.000 24.310 ( -0.000 0.000 0.000) 0.000 24.411 ( -0.000 0.000 0.000) 0.000 24.588 ( -0.000 0.000 0.000) 0.000 24.962 ( -0.000 0.000 0.000) 0.000 25.258 ( -0.000 0.000 0.000) 0.000 25.336 ( -0.000 0.000 0.000) 0.000 26.564 ( -0.000 0.000 0.000) 0.000 26.648 ( -0.000 0.000 0.000) 0.000 26.846 ( -0.000 0.000 0.000) 0.000 27.012 ( -0.000 0.000 0.000) 0.000 27.119 ( -0.000 0.000 0.000) 0.000 27.170 ( -0.000 0.000 0.000) 0.000 27.903 ( -0.000 0.000 0.000) 0.000 28.247 ( -0.000 0.000 0.000) 0.000 28.377 ( -0.000 0.000 0.000) 0.000 28.524 ( -0.000 0.000 0.000) 0.000 28.548 ( -0.000 0.000 0.000) 0.000 29.073 ( -0.000 0.000 0.000) 0.000 29.268 ( -0.000 0.000 0.000) 0.000 29.482 ( -0.000 0.000 0.000) 0.000 29.964 ( -0.000 0.000 0.000) 0.000 30.283 ( -0.000 0.000 0.000) 0.000 30.354 ( -0.000 0.000 0.000) 0.000 30.406 ( -0.000 0.000 0.000) 0.000 30.826 ( -0.000 0.000 0.000) 0.000 =================== 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 3/46080 10.0 25.882 273.479 30.146 0.000 0.000 -0.000 3/46080 20.0 193.762 253.860 114.831 0.000 0.000 -0.000 3/46080 30.0 156.296 114.407 84.132 0.000 0.000 -0.000 3/46080 40.0 107.106 73.788 64.521 0.000 0.000 -0.000 3/46080 50.0 78.033 53.502 50.866 0.000 0.000 -0.000 3/46080 60.0 60.939 41.722 41.633 0.000 0.000 -0.000 3/46080 70.0 50.182 34.309 35.339 0.000 0.000 -0.000 3/46080 80.0 43.001 29.340 30.920 0.000 0.000 -0.000 3/46080 90.0 37.949 25.824 27.692 0.000 0.000 -0.000 3/46080 100.0 34.215 23.215 25.232 0.000 0.000 -0.000 3/46080 110.0 31.328 21.197 23.279 0.000 0.000 -0.000 3/46080 120.0 29.004 19.579 21.671 0.000 0.000 -0.000 3/46080 130.0 27.068 18.239 20.304 0.000 0.000 -0.000 3/46080 140.0 25.410 17.101 19.115 0.000 0.000 -0.000 3/46080 150.0 23.960 16.113 18.061 0.000 0.000 -0.000 3/46080 160.0 22.672 15.241 17.114 0.000 0.000 -0.000 3/46080 170.0 21.514 14.462 16.255 0.000 0.000 -0.000 3/46080 180.0 20.465 13.759 15.472 0.000 0.000 -0.000 3/46080 190.0 19.509 13.119 14.754 0.000 0.000 -0.000 3/46080 200.0 18.633 12.534 14.093 0.000 0.000 -0.000 3/46080 210.0 17.827 11.997 13.483 0.000 0.000 -0.000 3/46080 220.0 17.085 11.502 12.919 0.000 0.000 -0.000 3/46080 230.0 16.399 11.043 12.397 0.000 0.000 -0.000 3/46080 240.0 15.763 10.618 11.912 0.000 0.000 -0.000 3/46080 250.0 15.173 10.224 11.462 0.000 0.000 -0.000 3/46080 260.0 14.624 9.856 11.043 0.000 0.000 -0.000 3/46080 270.0 14.113 9.513 10.652 0.000 0.000 -0.000 3/46080 280.0 13.636 9.192 10.287 0.000 0.000 -0.000 3/46080 290.0 13.190 8.892 9.945 0.000 0.000 -0.000 3/46080 300.0 12.772 8.610 9.625 0.000 0.000 -0.000 3/46080 310.0 12.380 8.345 9.325 0.000 0.000 -0.000 3/46080 320.0 12.011 8.096 9.043 0.000 0.000 -0.000 3/46080 330.0 11.664 7.862 8.778 0.000 0.000 -0.000 3/46080 340.0 11.337 7.640 8.528 0.000 0.000 -0.000 3/46080 350.0 11.028 7.431 8.291 0.000 0.000 -0.000 3/46080 360.0 10.736 7.233 8.068 0.000 0.000 -0.000 3/46080 370.0 10.459 7.046 7.857 0.000 0.000 -0.000 3/46080 380.0 10.197 6.868 7.657 0.000 0.000 -0.000 3/46080 390.0 9.948 6.699 7.466 0.000 0.000 -0.000 3/46080 400.0 9.711 6.538 7.286 0.000 0.000 -0.000 3/46080 410.0 9.485 6.385 7.114 0.000 0.000 -0.000 3/46080 420.0 9.270 6.239 6.950 0.000 0.000 -0.000 3/46080 430.0 9.065 6.099 6.794 0.000 0.000 -0.000 3/46080 440.0 8.870 5.966 6.645 0.000 0.000 -0.000 3/46080 450.0 8.682 5.839 6.503 0.000 0.000 -0.000 3/46080 460.0 8.503 5.717 6.367 0.000 0.000 -0.000 3/46080 470.0 8.331 5.601 6.236 0.000 0.000 -0.000 3/46080 480.0 8.167 5.489 6.111 0.000 0.000 -0.000 3/46080 490.0 8.008 5.381 5.991 0.000 0.000 -0.000 3/46080 500.0 7.857 5.278 5.876 0.000 0.000 -0.000 3/46080 510.0 7.710 5.179 5.765 0.000 0.000 -0.000 3/46080 520.0 7.570 5.083 5.659 0.000 0.000 -0.000 3/46080 530.0 7.435 4.992 5.556 0.000 0.000 -0.000 3/46080 540.0 7.304 4.903 5.458 0.000 0.000 -0.000 3/46080 550.0 7.178 4.818 5.363 0.000 0.000 -0.000 3/46080 560.0 7.057 4.735 5.271 0.000 0.000 -0.000 3/46080 570.0 6.940 4.656 5.182 0.000 0.000 -0.000 3/46080 580.0 6.827 4.579 5.097 0.000 0.000 -0.000 3/46080 590.0 6.717 4.505 5.014 0.000 0.000 -0.000 3/46080 600.0 6.611 4.433 4.934 0.000 0.000 -0.000 3/46080 610.0 6.509 4.364 4.857 0.000 0.000 -0.000 3/46080 620.0 6.409 4.296 4.782 0.000 0.000 -0.000 3/46080 630.0 6.313 4.231 4.710 0.000 0.000 -0.000 3/46080 640.0 6.220 4.168 4.639 0.000 0.000 -0.000 3/46080 650.0 6.129 4.107 4.571 0.000 0.000 -0.000 3/46080 660.0 6.041 4.047 4.505 0.000 0.000 -0.000 3/46080 670.0 5.956 3.989 4.441 0.000 0.000 -0.000 3/46080 680.0 5.873 3.933 4.378 0.000 0.000 -0.000 3/46080 690.0 5.793 3.879 4.318 0.000 0.000 -0.000 3/46080 700.0 5.714 3.826 4.259 0.000 0.000 -0.000 3/46080 710.0 5.638 3.774 4.202 0.000 0.000 -0.000 3/46080 720.0 5.564 3.724 4.146 0.000 0.000 -0.000 3/46080 730.0 5.492 3.676 4.092 0.000 0.000 -0.000 3/46080 740.0 5.422 3.628 4.039 0.000 0.000 -0.000 3/46080 750.0 5.353 3.582 3.988 0.000 0.000 -0.000 3/46080 760.0 5.287 3.537 3.938 0.000 0.000 -0.000 3/46080 770.0 5.222 3.493 3.889 0.000 0.000 -0.000 3/46080 780.0 5.158 3.450 3.841 0.000 0.000 -0.000 3/46080 790.0 5.096 3.409 3.795 0.000 0.000 -0.000 3/46080 800.0 5.036 3.368 3.750 0.000 0.000 -0.000 3/46080 810.0 4.977 3.328 3.705 0.000 0.000 -0.000 3/46080 820.0 4.920 3.289 3.662 0.000 0.000 -0.000 3/46080 830.0 4.863 3.251 3.620 0.000 0.000 -0.000 3/46080 840.0 4.809 3.214 3.579 0.000 0.000 -0.000 3/46080 850.0 4.755 3.178 3.539 0.000 0.000 -0.000 3/46080 860.0 4.703 3.143 3.500 0.000 0.000 -0.000 3/46080 870.0 4.651 3.108 3.461 0.000 0.000 -0.000 3/46080 880.0 4.601 3.075 3.424 0.000 0.000 -0.000 3/46080 890.0 4.552 3.042 3.387 0.000 0.000 -0.000 3/46080 900.0 4.504 3.009 3.351 0.000 0.000 -0.000 3/46080 910.0 4.457 2.978 3.316 0.000 0.000 -0.000 3/46080 920.0 4.411 2.947 3.282 0.000 0.000 -0.000 3/46080 930.0 4.366 2.916 3.248 0.000 0.000 -0.000 3/46080 940.0 4.322 2.887 3.215 0.000 0.000 -0.000 3/46080 950.0 4.279 2.858 3.183 0.000 0.000 -0.000 3/46080 960.0 4.236 2.829 3.151 0.000 0.000 -0.000 3/46080 970.0 4.195 2.801 3.120 0.000 0.000 -0.000 3/46080 980.0 4.154 2.774 3.089 0.000 0.000 -0.000 3/46080 990.0 4.114 2.747 3.060 0.000 0.000 -0.000 3/46080 1000.0 4.075 2.721 3.030 0.000 0.000 -0.000 3/46080 Thermal conductivity related properties were written into "kappa-m12240.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:53:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|