----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:07:49]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.346227530000375 -3.913843540000001 0.000000000000000 b 3.346227530000375 3.913843540000001 0.000000000000000 c -3.306532384464991 0.000000000000000 6.725253116198448 Atomic positions (fractional): *1 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 *3 H 0.45055247474120 0.35960372769842 0.29330793803671 1.008 4 H 0.64039627230157 0.54944752525880 0.20669206196329 1.008 5 H 0.54944752525880 0.64039627230158 0.70669206196329 1.008 6 H 0.35960372769843 0.45055247474120 0.79330793803671 1.008 *7 S 0.08685110133383 0.91314889866617 0.25000000000000 32.065 8 S 0.91314889866617 0.08685110133383 0.75000000000000 32.065 *9 O 0.18066110532399 0.79378979285776 0.40642324574968 15.999 10 O 0.20621020714224 0.81933889467601 0.09357675425032 15.999 11 O 0.81933889467601 0.20621020714224 0.59357675425032 15.999 12 O 0.79378979285776 0.18066110532400 0.90642324574968 15.999 *13 O 0.77221057128394 0.82220395645996 0.16272044110272 15.999 14 O 0.17779604354004 0.22778942871606 0.33727955889728 15.999 15 O 0.22778942871606 0.17779604354004 0.83727955889728 15.999 16 O 0.82220395645996 0.77221057128394 0.66272044110272 15.999 *17 O 0.61997182212126 0.38002817787874 0.25000000000000 15.999 18 O 0.38002817787874 0.61997182212126 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.692455060000750 0.000000000000000 0.000000000000000 b 0.000000000000000 7.827687080000001 0.000000000000000 c -3.306532384464991 0.000000000000000 6.725253116198448 Atomic positions (fractional): *1 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 1 2 Zn 0.75000000000000 0.75000000000000 0.50000000000000 65.380 > 2 3 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 1 4 Zn 0.25000000000000 0.25000000000000 0.50000000000000 65.380 > 2 *5 H 0.40507810121981 0.95452562647861 0.29330793803671 1.008 > 3 6 H 0.59492189878019 0.95452562647861 0.20669206196329 1.008 > 4 7 H 0.59492189878019 0.04547437352139 0.70669206196329 1.008 > 5 8 H 0.40507810121981 0.04547437352139 0.79330793803671 1.008 > 6 9 H 0.90507810121981 0.45452562647861 0.29330793803671 1.008 > 3 10 H 0.09492189878019 0.45452562647861 0.20669206196329 1.008 > 4 11 H 0.09492189878019 0.54547437352139 0.70669206196329 1.008 > 5 12 H 0.90507810121981 0.54547437352139 0.79330793803671 1.008 > 6 *13 S 0.50000000000000 0.41314889866617 0.25000000000000 32.065 > 7 14 S 0.50000000000000 0.58685110133383 0.75000000000000 32.065 > 8 15 S 0.00000000000000 0.91314889866617 0.25000000000000 32.065 > 7 16 S 0.00000000000000 0.08685110133383 0.75000000000000 32.065 > 8 *17 O 0.48722544909088 0.30656434376688 0.40642324574968 15.999 > 9 18 O 0.51277455090912 0.30656434376688 0.09357675425032 15.999 > 10 19 O 0.51277455090912 0.69343565623312 0.59357675425032 15.999 > 11 20 O 0.48722544909088 0.69343565623312 0.90642324574968 15.999 > 12 *21 O 0.79720726387195 0.02499669258801 0.16272044110272 15.999 > 13 22 O 0.20279273612805 0.02499669258801 0.33727955889728 15.999 > 14 23 O 0.20279273612805 0.97500330741199 0.83727955889728 15.999 > 15 24 O 0.79720726387195 0.97500330741199 0.66272044110272 15.999 > 16 *25 O 0.50000000000000 0.88002817787874 0.25000000000000 15.999 > 17 26 O 0.50000000000000 0.11997182212126 0.75000000000000 15.999 > 18 27 O 0.98722544909088 0.80656434376688 0.40642324574968 15.999 > 9 28 O 0.01277455090912 0.80656434376688 0.09357675425032 15.999 > 10 29 O 0.01277455090912 0.19343565623312 0.59357675425032 15.999 > 11 30 O 0.98722544909088 0.19343565623312 0.90642324574968 15.999 > 12 31 O 0.29720726387195 0.52499669258801 0.16272044110272 15.999 > 13 32 O 0.70279273612805 0.52499669258801 0.33727955889728 15.999 > 14 33 O 0.70279273612805 0.47500330741199 0.83727955889728 15.999 > 15 34 O 0.29720726387195 0.47500330741199 0.66272044110272 15.999 > 16 35 O 0.00000000000000 0.38002817787874 0.25000000000000 15.999 > 17 36 O 0.00000000000000 0.61997182212126 0.75000000000000 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.384910120001500 0.000000000000000 0.000000000000000 b 0.000000000000000 7.827687080000001 0.000000000000000 c -6.613064768929982 0.000000000000000 13.450506232396895 Atomic positions (fractional): *1 Zn 0.37500000000000 0.25000000000000 0.00000000000000 65.380 > 1 2 Zn 0.87500000000000 0.25000000000000 0.00000000000000 65.380 > 1 3 Zn 0.37500000000000 0.25000000000000 0.50000000000000 65.380 > 1 4 Zn 0.87500000000000 0.25000000000000 0.50000000000000 65.380 > 1 5 Zn 0.37500000000000 0.75000000000000 0.25000000000000 65.380 > 2 6 Zn 0.87500000000000 0.75000000000000 0.25000000000000 65.380 > 2 7 Zn 0.37500000000000 0.75000000000000 0.75000000000000 65.380 > 2 8 Zn 0.87500000000000 0.75000000000000 0.75000000000000 65.380 > 2 9 Zn 0.12500000000000 0.75000000000000 0.00000000000000 65.380 > 1 10 Zn 0.62500000000000 0.75000000000000 0.00000000000000 65.380 > 1 11 Zn 0.12500000000000 0.75000000000000 0.50000000000000 65.380 > 1 12 Zn 0.62500000000000 0.75000000000000 0.50000000000000 65.380 > 1 13 Zn 0.12500000000000 0.25000000000000 0.25000000000000 65.380 > 2 14 Zn 0.62500000000000 0.25000000000000 0.25000000000000 65.380 > 2 15 Zn 0.12500000000000 0.25000000000000 0.75000000000000 65.380 > 2 16 Zn 0.62500000000000 0.25000000000000 0.75000000000000 65.380 > 2 *17 H 0.20253905060991 0.95452562647861 0.14665396901836 1.008 > 3 18 H 0.70253905060991 0.95452562647861 0.14665396901836 1.008 > 3 19 H 0.20253905060991 0.95452562647861 0.64665396901836 1.008 > 3 20 H 0.70253905060991 0.95452562647861 0.64665396901836 1.008 > 3 21 H 0.29746094939009 0.95452562647861 0.10334603098164 1.008 > 4 22 H 0.79746094939009 0.95452562647861 0.10334603098164 1.008 > 4 23 H 0.29746094939009 0.95452562647861 0.60334603098164 1.008 > 4 24 H 0.79746094939009 0.95452562647861 0.60334603098164 1.008 > 4 25 H 0.29746094939009 0.04547437352139 0.35334603098164 1.008 > 5 26 H 0.79746094939009 0.04547437352139 0.35334603098164 1.008 > 5 27 H 0.29746094939009 0.04547437352139 0.85334603098164 1.008 > 5 28 H 0.79746094939009 0.04547437352139 0.85334603098164 1.008 > 5 29 H 0.20253905060991 0.04547437352139 0.39665396901836 1.008 > 6 30 H 0.70253905060991 0.04547437352139 0.39665396901836 1.008 > 6 31 H 0.20253905060991 0.04547437352139 0.89665396901836 1.008 > 6 32 H 0.70253905060991 0.04547437352139 0.89665396901836 1.008 > 6 33 H 0.45253905060991 0.45452562647861 0.14665396901836 1.008 > 3 34 H 0.95253905060991 0.45452562647861 0.14665396901836 1.008 > 3 35 H 0.45253905060991 0.45452562647861 0.64665396901836 1.008 > 3 36 H 0.95253905060991 0.45452562647861 0.64665396901836 1.008 > 3 37 H 0.04746094939009 0.45452562647861 0.10334603098164 1.008 > 4 38 H 0.54746094939009 0.45452562647861 0.10334603098164 1.008 > 4 39 H 0.04746094939009 0.45452562647861 0.60334603098164 1.008 > 4 40 H 0.54746094939009 0.45452562647861 0.60334603098164 1.008 > 4 41 H 0.04746094939009 0.54547437352139 0.35334603098164 1.008 > 5 42 H 0.54746094939009 0.54547437352139 0.35334603098164 1.008 > 5 43 H 0.04746094939009 0.54547437352139 0.85334603098164 1.008 > 5 44 H 0.54746094939009 0.54547437352139 0.85334603098164 1.008 > 5 45 H 0.45253905060991 0.54547437352139 0.39665396901836 1.008 > 6 46 H 0.95253905060991 0.54547437352139 0.39665396901836 1.008 > 6 47 H 0.45253905060991 0.54547437352139 0.89665396901836 1.008 > 6 48 H 0.95253905060991 0.54547437352139 0.89665396901836 1.008 > 6 *49 S 0.25000000000000 0.41314889866617 0.12500000000000 32.065 > 7 50 S 0.75000000000000 0.41314889866617 0.12500000000000 32.065 > 7 51 S 0.25000000000000 0.41314889866617 0.62500000000000 32.065 > 7 52 S 0.75000000000000 0.41314889866617 0.62500000000000 32.065 > 7 53 S 0.25000000000000 0.58685110133383 0.37500000000000 32.065 > 8 54 S 0.75000000000000 0.58685110133383 0.37500000000000 32.065 > 8 55 S 0.25000000000000 0.58685110133383 0.87500000000000 32.065 > 8 56 S 0.75000000000000 0.58685110133383 0.87500000000000 32.065 > 8 57 S 0.00000000000000 0.91314889866617 0.12500000000000 32.065 > 7 58 S 0.50000000000000 0.91314889866617 0.12500000000000 32.065 > 7 59 S 0.00000000000000 0.91314889866617 0.62500000000000 32.065 > 7 60 S 0.50000000000000 0.91314889866617 0.62500000000000 32.065 > 7 61 S 0.00000000000000 0.08685110133383 0.37500000000000 32.065 > 8 62 S 0.50000000000000 0.08685110133383 0.37500000000000 32.065 > 8 63 S 0.00000000000000 0.08685110133383 0.87500000000000 32.065 > 8 64 S 0.50000000000000 0.08685110133383 0.87500000000000 32.065 > 8 *65 O 0.24361272454544 0.30656434376688 0.20321162287484 15.999 > 9 66 O 0.74361272454544 0.30656434376688 0.20321162287484 15.999 > 9 67 O 0.24361272454544 0.30656434376688 0.70321162287484 15.999 > 9 68 O 0.74361272454544 0.30656434376688 0.70321162287484 15.999 > 9 69 O 0.25638727545456 0.30656434376688 0.04678837712516 15.999 > 10 70 O 0.75638727545456 0.30656434376688 0.04678837712516 15.999 > 10 71 O 0.25638727545456 0.30656434376688 0.54678837712516 15.999 > 10 72 O 0.75638727545456 0.30656434376688 0.54678837712516 15.999 > 10 73 O 0.25638727545456 0.69343565623312 0.29678837712516 15.999 > 11 74 O 0.75638727545456 0.69343565623312 0.29678837712516 15.999 > 11 75 O 0.25638727545456 0.69343565623312 0.79678837712516 15.999 > 11 76 O 0.75638727545456 0.69343565623312 0.79678837712516 15.999 > 11 77 O 0.24361272454544 0.69343565623312 0.45321162287484 15.999 > 12 78 O 0.74361272454544 0.69343565623312 0.45321162287484 15.999 > 12 79 O 0.24361272454544 0.69343565623312 0.95321162287484 15.999 > 12 80 O 0.74361272454544 0.69343565623312 0.95321162287484 15.999 > 12 *81 O 0.39860363193597 0.02499669258801 0.08136022055136 15.999 > 13 82 O 0.89860363193597 0.02499669258801 0.08136022055136 15.999 > 13 83 O 0.39860363193597 0.02499669258801 0.58136022055136 15.999 > 13 84 O 0.89860363193597 0.02499669258801 0.58136022055136 15.999 > 13 85 O 0.10139636806402 0.02499669258801 0.16863977944864 15.999 > 14 86 O 0.60139636806402 0.02499669258801 0.16863977944864 15.999 > 14 87 O 0.10139636806402 0.02499669258801 0.66863977944864 15.999 > 14 88 O 0.60139636806402 0.02499669258801 0.66863977944864 15.999 > 14 89 O 0.10139636806402 0.97500330741199 0.41863977944864 15.999 > 15 90 O 0.60139636806402 0.97500330741199 0.41863977944864 15.999 > 15 91 O 0.10139636806402 0.97500330741199 0.91863977944864 15.999 > 15 92 O 0.60139636806402 0.97500330741199 0.91863977944864 15.999 > 15 93 O 0.39860363193597 0.97500330741199 0.33136022055136 15.999 > 16 94 O 0.89860363193597 0.97500330741199 0.33136022055136 15.999 > 16 95 O 0.39860363193597 0.97500330741199 0.83136022055136 15.999 > 16 96 O 0.89860363193597 0.97500330741199 0.83136022055136 15.999 > 16 *97 O 0.25000000000000 0.88002817787874 0.12500000000000 15.999 > 17 98 O 0.75000000000000 0.88002817787874 0.12500000000000 15.999 > 17 99 O 0.25000000000000 0.88002817787874 0.62500000000000 15.999 > 17 100 O 0.75000000000000 0.88002817787874 0.62500000000000 15.999 > 17 101 O 0.25000000000000 0.11997182212126 0.37500000000000 15.999 > 18 102 O 0.75000000000000 0.11997182212126 0.37500000000000 15.999 > 18 103 O 0.25000000000000 0.11997182212126 0.87500000000000 15.999 > 18 104 O 0.75000000000000 0.11997182212126 0.87500000000000 15.999 > 18 105 O 0.49361272454544 0.80656434376688 0.20321162287484 15.999 > 9 106 O 0.99361272454544 0.80656434376688 0.20321162287484 15.999 > 9 107 O 0.49361272454544 0.80656434376688 0.70321162287484 15.999 > 9 108 O 0.99361272454544 0.80656434376688 0.70321162287484 15.999 > 9 109 O 0.00638727545456 0.80656434376688 0.04678837712516 15.999 > 10 110 O 0.50638727545456 0.80656434376688 0.04678837712516 15.999 > 10 111 O 0.00638727545456 0.80656434376688 0.54678837712516 15.999 > 10 112 O 0.50638727545456 0.80656434376688 0.54678837712516 15.999 > 10 113 O 0.00638727545456 0.19343565623312 0.29678837712516 15.999 > 11 114 O 0.50638727545456 0.19343565623312 0.29678837712516 15.999 > 11 115 O 0.00638727545456 0.19343565623312 0.79678837712516 15.999 > 11 116 O 0.50638727545456 0.19343565623312 0.79678837712516 15.999 > 11 117 O 0.49361272454544 0.19343565623312 0.45321162287484 15.999 > 12 118 O 0.99361272454544 0.19343565623312 0.45321162287484 15.999 > 12 119 O 0.49361272454544 0.19343565623312 0.95321162287484 15.999 > 12 120 O 0.99361272454544 0.19343565623312 0.95321162287484 15.999 > 12 121 O 0.14860363193598 0.52499669258801 0.08136022055136 15.999 > 13 122 O 0.64860363193598 0.52499669258801 0.08136022055136 15.999 > 13 123 O 0.14860363193598 0.52499669258801 0.58136022055136 15.999 > 13 124 O 0.64860363193598 0.52499669258801 0.58136022055136 15.999 > 13 125 O 0.35139636806403 0.52499669258801 0.16863977944864 15.999 > 14 126 O 0.85139636806403 0.52499669258801 0.16863977944864 15.999 > 14 127 O 0.35139636806403 0.52499669258801 0.66863977944864 15.999 > 14 128 O 0.85139636806403 0.52499669258801 0.66863977944864 15.999 > 14 129 O 0.35139636806403 0.47500330741199 0.41863977944864 15.999 > 15 130 O 0.85139636806403 0.47500330741199 0.41863977944864 15.999 > 15 131 O 0.35139636806403 0.47500330741199 0.91863977944864 15.999 > 15 132 O 0.85139636806403 0.47500330741199 0.91863977944864 15.999 > 15 133 O 0.14860363193598 0.47500330741199 0.33136022055136 15.999 > 16 134 O 0.64860363193598 0.47500330741199 0.33136022055136 15.999 > 16 135 O 0.14860363193598 0.47500330741199 0.83136022055136 15.999 > 16 136 O 0.64860363193598 0.47500330741199 0.83136022055136 15.999 > 16 137 O 0.00000000000000 0.38002817787874 0.12500000000000 15.999 > 17 138 O 0.50000000000000 0.38002817787874 0.12500000000000 15.999 > 17 139 O 0.00000000000000 0.38002817787874 0.62500000000000 15.999 > 17 140 O 0.50000000000000 0.38002817787874 0.62500000000000 15.999 > 17 141 O 0.00000000000000 0.61997182212126 0.37500000000000 15.999 > 18 142 O 0.50000000000000 0.61997182212126 0.37500000000000 15.999 > 18 143 O 0.00000000000000 0.61997182212126 0.87500000000000 15.999 > 18 144 O 0.50000000000000 0.61997182212126 0.87500000000000 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9867832 0.0000000 -0.0992232 0.0000000 2.7537843 0.0000000 -0.0992245 0.0000000 2.7478432 -------------------------- Born effective charges -------------------------- 1 Zn 2.3737401 -0.2778829 0.0683050 -0.3474495 2.5177500 -0.0997225 -0.3490416 -0.0375460 2.4962108 2 Zn 2.3737401 0.2778829 0.0683050 0.3474495 2.5177500 0.0997225 -0.3490416 0.0375460 2.4962108 3 H 1.4043842 -0.4666698 -0.2293360 -0.3346182 0.4476926 0.0891800 -0.1224752 0.0327822 0.3828661 4 H 1.4043842 0.4666698 -0.2293360 0.3346182 0.4476926 -0.0891800 -0.1224752 -0.0327822 0.3828661 5 H 1.4043842 -0.4666698 -0.2293360 -0.3346182 0.4476926 0.0891800 -0.1224752 0.0327822 0.3828661 6 H 1.4043842 0.4666698 -0.2293360 0.3346182 0.4476926 -0.0891800 -0.1224752 -0.0327822 0.3828661 7 S 3.7672114 0.0000000 -0.5665851 0.0000000 3.3652025 0.0000000 0.2421881 0.0000000 3.5057658 8 S 3.7672114 0.0000000 -0.5665851 0.0000000 3.3652025 0.0000000 0.2421881 0.0000000 3.5057658 9 O -1.5320041 -0.4726328 0.7026892 -0.3995370 -1.3281653 0.5571302 0.5006784 0.5207841 -1.5510193 10 O -1.5320041 0.4726328 0.7026892 0.3995370 -1.3281653 -0.5571302 0.5006784 -0.5207841 -1.5510193 11 O -1.5320041 -0.4726328 0.7026892 -0.3995370 -1.3281653 0.5571302 0.5006784 0.5207841 -1.5510193 12 O -1.5320041 0.4726328 0.7026892 0.3995370 -1.3281653 -0.5571302 0.5006784 -0.5207841 -1.5510193 13 O -1.9913891 0.4159564 -0.2342167 0.3708410 -1.5805697 0.4993937 -0.2926254 0.5123105 -1.2116004 14 O -1.9913891 -0.4159564 -0.2342167 -0.3708410 -1.5805697 -0.4993937 -0.2926254 -0.5123105 -1.2116004 15 O -1.9913891 0.4159564 -0.2342167 0.3708410 -1.5805697 0.4993937 -0.2926254 0.5123105 -1.2116004 16 O -1.9913891 -0.4159564 -0.2342167 -0.3708410 -1.5805697 -0.4993937 -0.2926254 -0.5123105 -1.2116004 17 O -1.9029335 0.0000000 0.0200071 0.0000000 -0.9608675 0.0000000 -0.0643021 0.0000000 -1.2424694 18 O -1.9029335 0.0000000 0.0200071 0.0000000 -0.9608675 0.0000000 -0.0643021 0.0000000 -1.2424694 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 14112/14112 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3064 Number of blocks in projector: 3064 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: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 658 / 658 (1) 153 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 134 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 134 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 374 Use standard eigh solver. Tree of FC basis block matrices: - (3064, 3019), data: False |-- (374, 368), data: True |-- (374, 368), data: True |-- (374, 368), data: True |-- (642, 634), data: False |-- (642, 8), data: (642, 16) @ (16, 8) |-- (142, 134), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (642, 634), data: False |-- (642, 8), data: (642, 16) @ (16, 8) |-- (142, 134), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (658, 647), data: False |-- (658, 5), data: (658, 16) @ (16, 5) |-- (158, 153), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 0.993 Solver_block: 200 / 560 - Time: 0.954 Solver_block: 300 / 560 - Time: 0.937 Solver_block: 400 / 560 - Time: 0.942 Solver_block: 500 / 560 - Time: 0.932 Solver_block: 560 / 560 - Time: 0.620 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.505 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 432/432 Permutation basis: 14112/14112 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3064 Number of blocks in projector: 3064 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: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 658 / 658 (1) 153 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 134 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 134 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 374 Use standard eigh solver. Tree of FC basis block matrices: - (3064, 3019), data: False |-- (374, 368), data: True |-- (374, 368), data: True |-- (374, 368), data: True |-- (642, 634), data: False |-- (642, 8), data: (642, 16) @ (16, 8) |-- (142, 134), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (642, 634), data: False |-- (642, 8), data: (642, 16) @ (16, 8) |-- (142, 134), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (658, 647), data: False |-- (658, 5), data: (658, 16) @ (16, 5) |-- (158, 153), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xz) 0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:08:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:08:25]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.346227530000375 -3.913843540000001 0.000000000000000 b 3.346227530000375 3.913843540000001 0.000000000000000 c -3.306532384464991 0.000000000000000 6.725253116198448 Atomic positions (fractional): 1 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 3 H 0.45055247474120 0.35960372769842 0.29330793803671 1.008 4 H 0.64039627230157 0.54944752525880 0.20669206196329 1.008 5 H 0.54944752525880 0.64039627230158 0.70669206196329 1.008 6 H 0.35960372769843 0.45055247474120 0.79330793803671 1.008 7 S 0.08685110133383 0.91314889866617 0.25000000000000 32.065 8 S 0.91314889866617 0.08685110133383 0.75000000000000 32.065 9 O 0.18066110532399 0.79378979285776 0.40642324574968 15.999 10 O 0.20621020714224 0.81933889467601 0.09357675425032 15.999 11 O 0.81933889467601 0.20621020714224 0.59357675425032 15.999 12 O 0.79378979285776 0.18066110532400 0.90642324574968 15.999 13 O 0.77221057128394 0.82220395645996 0.16272044110272 15.999 14 O 0.17779604354004 0.22778942871606 0.33727955889728 15.999 15 O 0.22778942871606 0.17779604354004 0.83727955889728 15.999 16 O 0.82220395645996 0.77221057128394 0.66272044110272 15.999 17 O 0.61997182212126 0.38002817787874 0.25000000000000 15.999 18 O 0.38002817787874 0.61997182212126 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.384910120001500 0.000000000000000 0.000000000000000 b 0.000000000000000 7.827687080000001 0.000000000000000 c -6.613064768929982 0.000000000000000 13.450506232396895 Atomic positions (fractional): 1 Zn 0.37500000000000 0.25000000000000 0.00000000000000 65.380 > 1 2 Zn 0.87500000000000 0.25000000000000 0.00000000000000 65.380 > 1 3 Zn 0.37500000000000 0.25000000000000 0.50000000000000 65.380 > 1 4 Zn 0.87500000000000 0.25000000000000 0.50000000000000 65.380 > 1 5 Zn 0.37500000000000 0.75000000000000 0.25000000000000 65.380 > 5 6 Zn 0.87500000000000 0.75000000000000 0.25000000000000 65.380 > 5 7 Zn 0.37500000000000 0.75000000000000 0.75000000000000 65.380 > 5 8 Zn 0.87500000000000 0.75000000000000 0.75000000000000 65.380 > 5 9 Zn 0.12500000000000 0.75000000000000 0.00000000000000 65.380 > 1 10 Zn 0.62500000000000 0.75000000000000 0.00000000000000 65.380 > 1 11 Zn 0.12500000000000 0.75000000000000 0.50000000000000 65.380 > 1 12 Zn 0.62500000000000 0.75000000000000 0.50000000000000 65.380 > 1 13 Zn 0.12500000000000 0.25000000000000 0.25000000000000 65.380 > 5 14 Zn 0.62500000000000 0.25000000000000 0.25000000000000 65.380 > 5 15 Zn 0.12500000000000 0.25000000000000 0.75000000000000 65.380 > 5 16 Zn 0.62500000000000 0.25000000000000 0.75000000000000 65.380 > 5 17 H 0.20253905060991 0.95452562647861 0.14665396901836 1.008 > 17 18 H 0.70253905060991 0.95452562647861 0.14665396901836 1.008 > 17 19 H 0.20253905060991 0.95452562647861 0.64665396901836 1.008 > 17 20 H 0.70253905060991 0.95452562647861 0.64665396901836 1.008 > 17 21 H 0.29746094939009 0.95452562647861 0.10334603098164 1.008 > 21 22 H 0.79746094939009 0.95452562647861 0.10334603098164 1.008 > 21 23 H 0.29746094939009 0.95452562647861 0.60334603098164 1.008 > 21 24 H 0.79746094939009 0.95452562647861 0.60334603098164 1.008 > 21 25 H 0.29746094939009 0.04547437352139 0.35334603098164 1.008 > 25 26 H 0.79746094939009 0.04547437352139 0.35334603098164 1.008 > 25 27 H 0.29746094939009 0.04547437352139 0.85334603098164 1.008 > 25 28 H 0.79746094939009 0.04547437352139 0.85334603098164 1.008 > 25 29 H 0.20253905060991 0.04547437352139 0.39665396901836 1.008 > 29 30 H 0.70253905060991 0.04547437352139 0.39665396901836 1.008 > 29 31 H 0.20253905060991 0.04547437352139 0.89665396901836 1.008 > 29 32 H 0.70253905060991 0.04547437352139 0.89665396901836 1.008 > 29 33 H 0.45253905060991 0.45452562647861 0.14665396901836 1.008 > 17 34 H 0.95253905060991 0.45452562647861 0.14665396901836 1.008 > 17 35 H 0.45253905060991 0.45452562647861 0.64665396901836 1.008 > 17 36 H 0.95253905060991 0.45452562647861 0.64665396901836 1.008 > 17 37 H 0.04746094939009 0.45452562647861 0.10334603098164 1.008 > 21 38 H 0.54746094939009 0.45452562647861 0.10334603098164 1.008 > 21 39 H 0.04746094939009 0.45452562647861 0.60334603098164 1.008 > 21 40 H 0.54746094939009 0.45452562647861 0.60334603098164 1.008 > 21 41 H 0.04746094939009 0.54547437352139 0.35334603098164 1.008 > 25 42 H 0.54746094939009 0.54547437352139 0.35334603098164 1.008 > 25 43 H 0.04746094939009 0.54547437352139 0.85334603098164 1.008 > 25 44 H 0.54746094939009 0.54547437352139 0.85334603098164 1.008 > 25 45 H 0.45253905060991 0.54547437352139 0.39665396901836 1.008 > 29 46 H 0.95253905060991 0.54547437352139 0.39665396901836 1.008 > 29 47 H 0.45253905060991 0.54547437352139 0.89665396901836 1.008 > 29 48 H 0.95253905060991 0.54547437352139 0.89665396901836 1.008 > 29 49 S 0.25000000000000 0.41314889866617 0.12500000000000 32.065 > 49 50 S 0.75000000000000 0.41314889866617 0.12500000000000 32.065 > 49 51 S 0.25000000000000 0.41314889866617 0.62500000000000 32.065 > 49 52 S 0.75000000000000 0.41314889866617 0.62500000000000 32.065 > 49 53 S 0.25000000000000 0.58685110133383 0.37500000000000 32.065 > 53 54 S 0.75000000000000 0.58685110133383 0.37500000000000 32.065 > 53 55 S 0.25000000000000 0.58685110133383 0.87500000000000 32.065 > 53 56 S 0.75000000000000 0.58685110133383 0.87500000000000 32.065 > 53 57 S 0.00000000000000 0.91314889866617 0.12500000000000 32.065 > 49 58 S 0.50000000000000 0.91314889866617 0.12500000000000 32.065 > 49 59 S 0.00000000000000 0.91314889866617 0.62500000000000 32.065 > 49 60 S 0.50000000000000 0.91314889866617 0.62500000000000 32.065 > 49 61 S 0.00000000000000 0.08685110133383 0.37500000000000 32.065 > 53 62 S 0.50000000000000 0.08685110133383 0.37500000000000 32.065 > 53 63 S 0.00000000000000 0.08685110133383 0.87500000000000 32.065 > 53 64 S 0.50000000000000 0.08685110133383 0.87500000000000 32.065 > 53 65 O 0.24361272454544 0.30656434376688 0.20321162287484 15.999 > 65 66 O 0.74361272454544 0.30656434376688 0.20321162287484 15.999 > 65 67 O 0.24361272454544 0.30656434376688 0.70321162287484 15.999 > 65 68 O 0.74361272454544 0.30656434376688 0.70321162287484 15.999 > 65 69 O 0.25638727545456 0.30656434376688 0.04678837712516 15.999 > 69 70 O 0.75638727545456 0.30656434376688 0.04678837712516 15.999 > 69 71 O 0.25638727545456 0.30656434376688 0.54678837712516 15.999 > 69 72 O 0.75638727545456 0.30656434376688 0.54678837712516 15.999 > 69 73 O 0.25638727545456 0.69343565623312 0.29678837712516 15.999 > 73 74 O 0.75638727545456 0.69343565623312 0.29678837712516 15.999 > 73 75 O 0.25638727545456 0.69343565623312 0.79678837712516 15.999 > 73 76 O 0.75638727545456 0.69343565623312 0.79678837712516 15.999 > 73 77 O 0.24361272454544 0.69343565623312 0.45321162287484 15.999 > 77 78 O 0.74361272454544 0.69343565623312 0.45321162287484 15.999 > 77 79 O 0.24361272454544 0.69343565623312 0.95321162287484 15.999 > 77 80 O 0.74361272454544 0.69343565623312 0.95321162287484 15.999 > 77 81 O 0.39860363193597 0.02499669258801 0.08136022055136 15.999 > 81 82 O 0.89860363193597 0.02499669258801 0.08136022055136 15.999 > 81 83 O 0.39860363193597 0.02499669258801 0.58136022055136 15.999 > 81 84 O 0.89860363193597 0.02499669258801 0.58136022055136 15.999 > 81 85 O 0.10139636806402 0.02499669258801 0.16863977944864 15.999 > 85 86 O 0.60139636806402 0.02499669258801 0.16863977944864 15.999 > 85 87 O 0.10139636806402 0.02499669258801 0.66863977944864 15.999 > 85 88 O 0.60139636806402 0.02499669258801 0.66863977944864 15.999 > 85 89 O 0.10139636806402 0.97500330741199 0.41863977944864 15.999 > 89 90 O 0.60139636806402 0.97500330741199 0.41863977944864 15.999 > 89 91 O 0.10139636806402 0.97500330741199 0.91863977944864 15.999 > 89 92 O 0.60139636806402 0.97500330741199 0.91863977944864 15.999 > 89 93 O 0.39860363193597 0.97500330741199 0.33136022055136 15.999 > 93 94 O 0.89860363193597 0.97500330741199 0.33136022055136 15.999 > 93 95 O 0.39860363193597 0.97500330741199 0.83136022055136 15.999 > 93 96 O 0.89860363193597 0.97500330741199 0.83136022055136 15.999 > 93 97 O 0.25000000000000 0.88002817787874 0.12500000000000 15.999 > 97 98 O 0.75000000000000 0.88002817787874 0.12500000000000 15.999 > 97 99 O 0.25000000000000 0.88002817787874 0.62500000000000 15.999 > 97 100 O 0.75000000000000 0.88002817787874 0.62500000000000 15.999 > 97 101 O 0.25000000000000 0.11997182212126 0.37500000000000 15.999 > 101 102 O 0.75000000000000 0.11997182212126 0.37500000000000 15.999 > 101 103 O 0.25000000000000 0.11997182212126 0.87500000000000 15.999 > 101 104 O 0.75000000000000 0.11997182212126 0.87500000000000 15.999 > 101 105 O 0.49361272454544 0.80656434376688 0.20321162287484 15.999 > 65 106 O 0.99361272454544 0.80656434376688 0.20321162287484 15.999 > 65 107 O 0.49361272454544 0.80656434376688 0.70321162287484 15.999 > 65 108 O 0.99361272454544 0.80656434376688 0.70321162287484 15.999 > 65 109 O 0.00638727545456 0.80656434376688 0.04678837712516 15.999 > 69 110 O 0.50638727545456 0.80656434376688 0.04678837712516 15.999 > 69 111 O 0.00638727545456 0.80656434376688 0.54678837712516 15.999 > 69 112 O 0.50638727545456 0.80656434376688 0.54678837712516 15.999 > 69 113 O 0.00638727545456 0.19343565623312 0.29678837712516 15.999 > 73 114 O 0.50638727545456 0.19343565623312 0.29678837712516 15.999 > 73 115 O 0.00638727545456 0.19343565623312 0.79678837712516 15.999 > 73 116 O 0.50638727545456 0.19343565623312 0.79678837712516 15.999 > 73 117 O 0.49361272454544 0.19343565623312 0.45321162287484 15.999 > 77 118 O 0.99361272454544 0.19343565623312 0.45321162287484 15.999 > 77 119 O 0.49361272454544 0.19343565623312 0.95321162287484 15.999 > 77 120 O 0.99361272454544 0.19343565623312 0.95321162287484 15.999 > 77 121 O 0.14860363193598 0.52499669258801 0.08136022055136 15.999 > 81 122 O 0.64860363193598 0.52499669258801 0.08136022055136 15.999 > 81 123 O 0.14860363193598 0.52499669258801 0.58136022055136 15.999 > 81 124 O 0.64860363193598 0.52499669258801 0.58136022055136 15.999 > 81 125 O 0.35139636806403 0.52499669258801 0.16863977944864 15.999 > 85 126 O 0.85139636806403 0.52499669258801 0.16863977944864 15.999 > 85 127 O 0.35139636806403 0.52499669258801 0.66863977944864 15.999 > 85 128 O 0.85139636806403 0.52499669258801 0.66863977944864 15.999 > 85 129 O 0.35139636806403 0.47500330741199 0.41863977944864 15.999 > 89 130 O 0.85139636806403 0.47500330741199 0.41863977944864 15.999 > 89 131 O 0.35139636806403 0.47500330741199 0.91863977944864 15.999 > 89 132 O 0.85139636806403 0.47500330741199 0.91863977944864 15.999 > 89 133 O 0.14860363193598 0.47500330741199 0.33136022055136 15.999 > 93 134 O 0.64860363193598 0.47500330741199 0.33136022055136 15.999 > 93 135 O 0.14860363193598 0.47500330741199 0.83136022055136 15.999 > 93 136 O 0.64860363193598 0.47500330741199 0.83136022055136 15.999 > 93 137 O 0.00000000000000 0.38002817787874 0.12500000000000 15.999 > 97 138 O 0.50000000000000 0.38002817787874 0.12500000000000 15.999 > 97 139 O 0.00000000000000 0.38002817787874 0.62500000000000 15.999 > 97 140 O 0.50000000000000 0.38002817787874 0.62500000000000 15.999 > 97 141 O 0.00000000000000 0.61997182212126 0.37500000000000 15.999 > 101 142 O 0.50000000000000 0.61997182212126 0.37500000000000 15.999 > 101 143 O 0.00000000000000 0.61997182212126 0.87500000000000 15.999 > 101 144 O 0.50000000000000 0.61997182212126 0.87500000000000 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9867832 0.0000000 -0.0992232 0.0000000 2.7537843 0.0000000 -0.0992245 0.0000000 2.7478432 -------------------------- Born effective charges -------------------------- 1 Zn 2.3737401 -0.2778829 0.0683050 -0.3474495 2.5177500 -0.0997225 -0.3490416 -0.0375460 2.4962108 2 Zn 2.3737401 0.2778829 0.0683050 0.3474495 2.5177500 0.0997225 -0.3490416 0.0375460 2.4962108 3 H 1.4043842 -0.4666698 -0.2293360 -0.3346182 0.4476926 0.0891800 -0.1224752 0.0327822 0.3828661 4 H 1.4043842 0.4666698 -0.2293360 0.3346182 0.4476926 -0.0891800 -0.1224752 -0.0327822 0.3828661 5 H 1.4043842 -0.4666698 -0.2293360 -0.3346182 0.4476926 0.0891800 -0.1224752 0.0327822 0.3828661 6 H 1.4043842 0.4666698 -0.2293360 0.3346182 0.4476926 -0.0891800 -0.1224752 -0.0327822 0.3828661 7 S 3.7672114 0.0000000 -0.5665851 0.0000000 3.3652025 0.0000000 0.2421881 0.0000000 3.5057658 8 S 3.7672114 0.0000000 -0.5665851 0.0000000 3.3652025 0.0000000 0.2421881 0.0000000 3.5057658 9 O -1.5320041 -0.4726328 0.7026892 -0.3995370 -1.3281653 0.5571302 0.5006784 0.5207841 -1.5510193 10 O -1.5320041 0.4726328 0.7026892 0.3995370 -1.3281653 -0.5571302 0.5006784 -0.5207841 -1.5510193 11 O -1.5320041 -0.4726328 0.7026892 -0.3995370 -1.3281653 0.5571302 0.5006784 0.5207841 -1.5510193 12 O -1.5320041 0.4726328 0.7026892 0.3995370 -1.3281653 -0.5571302 0.5006784 -0.5207841 -1.5510193 13 O -1.9913891 0.4159564 -0.2342167 0.3708410 -1.5805697 0.4993937 -0.2926254 0.5123105 -1.2116004 14 O -1.9913891 -0.4159564 -0.2342167 -0.3708410 -1.5805697 -0.4993937 -0.2926254 -0.5123105 -1.2116004 15 O -1.9913891 0.4159564 -0.2342167 0.3708410 -1.5805697 0.4993937 -0.2926254 0.5123105 -1.2116004 16 O -1.9913891 -0.4159564 -0.2342167 -0.3708410 -1.5805697 -0.4993937 -0.2926254 -0.5123105 -1.2116004 17 O -1.9029335 0.0000000 0.0200071 0.0000000 -0.9608675 0.0000000 -0.0643021 0.0000000 -1.2424694 18 O -1.9029335 0.0000000 0.0200071 0.0000000 -0.9608675 0.0000000 -0.0643021 0.0000000 -1.2424694 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 97, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000714 (xxx) -0.00000714 (xxx) -0.00000714 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000508 (zx) 0.00000508 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:09:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:09:02]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.346227530000375 -3.913843540000001 0.000000000000000 b 3.346227530000375 3.913843540000001 0.000000000000000 c -3.306532384464991 0.000000000000000 6.725253116198448 Atomic positions (fractional): 1 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 3 H 0.45055247474120 0.35960372769842 0.29330793803671 1.008 4 H 0.64039627230157 0.54944752525880 0.20669206196329 1.008 5 H 0.54944752525880 0.64039627230158 0.70669206196329 1.008 6 H 0.35960372769843 0.45055247474120 0.79330793803671 1.008 7 S 0.08685110133383 0.91314889866617 0.25000000000000 32.065 8 S 0.91314889866617 0.08685110133383 0.75000000000000 32.065 9 O 0.18066110532399 0.79378979285776 0.40642324574968 15.999 10 O 0.20621020714224 0.81933889467601 0.09357675425032 15.999 11 O 0.81933889467601 0.20621020714224 0.59357675425032 15.999 12 O 0.79378979285776 0.18066110532400 0.90642324574968 15.999 13 O 0.77221057128394 0.82220395645996 0.16272044110272 15.999 14 O 0.17779604354004 0.22778942871606 0.33727955889728 15.999 15 O 0.22778942871606 0.17779604354004 0.83727955889728 15.999 16 O 0.82220395645996 0.77221057128394 0.66272044110272 15.999 17 O 0.61997182212126 0.38002817787874 0.25000000000000 15.999 18 O 0.38002817787874 0.61997182212126 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.384910120001500 0.000000000000000 0.000000000000000 b 0.000000000000000 7.827687080000001 0.000000000000000 c -6.613064768929982 0.000000000000000 13.450506232396895 Atomic positions (fractional): 1 Zn 0.37500000000000 0.25000000000000 0.00000000000000 65.380 > 1 2 Zn 0.87500000000000 0.25000000000000 0.00000000000000 65.380 > 1 3 Zn 0.37500000000000 0.25000000000000 0.50000000000000 65.380 > 1 4 Zn 0.87500000000000 0.25000000000000 0.50000000000000 65.380 > 1 5 Zn 0.37500000000000 0.75000000000000 0.25000000000000 65.380 > 5 6 Zn 0.87500000000000 0.75000000000000 0.25000000000000 65.380 > 5 7 Zn 0.37500000000000 0.75000000000000 0.75000000000000 65.380 > 5 8 Zn 0.87500000000000 0.75000000000000 0.75000000000000 65.380 > 5 9 Zn 0.12500000000000 0.75000000000000 0.00000000000000 65.380 > 1 10 Zn 0.62500000000000 0.75000000000000 0.00000000000000 65.380 > 1 11 Zn 0.12500000000000 0.75000000000000 0.50000000000000 65.380 > 1 12 Zn 0.62500000000000 0.75000000000000 0.50000000000000 65.380 > 1 13 Zn 0.12500000000000 0.25000000000000 0.25000000000000 65.380 > 5 14 Zn 0.62500000000000 0.25000000000000 0.25000000000000 65.380 > 5 15 Zn 0.12500000000000 0.25000000000000 0.75000000000000 65.380 > 5 16 Zn 0.62500000000000 0.25000000000000 0.75000000000000 65.380 > 5 17 H 0.20253905060991 0.95452562647861 0.14665396901836 1.008 > 17 18 H 0.70253905060991 0.95452562647861 0.14665396901836 1.008 > 17 19 H 0.20253905060991 0.95452562647861 0.64665396901836 1.008 > 17 20 H 0.70253905060991 0.95452562647861 0.64665396901836 1.008 > 17 21 H 0.29746094939009 0.95452562647861 0.10334603098164 1.008 > 21 22 H 0.79746094939009 0.95452562647861 0.10334603098164 1.008 > 21 23 H 0.29746094939009 0.95452562647861 0.60334603098164 1.008 > 21 24 H 0.79746094939009 0.95452562647861 0.60334603098164 1.008 > 21 25 H 0.29746094939009 0.04547437352139 0.35334603098164 1.008 > 25 26 H 0.79746094939009 0.04547437352139 0.35334603098164 1.008 > 25 27 H 0.29746094939009 0.04547437352139 0.85334603098164 1.008 > 25 28 H 0.79746094939009 0.04547437352139 0.85334603098164 1.008 > 25 29 H 0.20253905060991 0.04547437352139 0.39665396901836 1.008 > 29 30 H 0.70253905060991 0.04547437352139 0.39665396901836 1.008 > 29 31 H 0.20253905060991 0.04547437352139 0.89665396901836 1.008 > 29 32 H 0.70253905060991 0.04547437352139 0.89665396901836 1.008 > 29 33 H 0.45253905060991 0.45452562647861 0.14665396901836 1.008 > 17 34 H 0.95253905060991 0.45452562647861 0.14665396901836 1.008 > 17 35 H 0.45253905060991 0.45452562647861 0.64665396901836 1.008 > 17 36 H 0.95253905060991 0.45452562647861 0.64665396901836 1.008 > 17 37 H 0.04746094939009 0.45452562647861 0.10334603098164 1.008 > 21 38 H 0.54746094939009 0.45452562647861 0.10334603098164 1.008 > 21 39 H 0.04746094939009 0.45452562647861 0.60334603098164 1.008 > 21 40 H 0.54746094939009 0.45452562647861 0.60334603098164 1.008 > 21 41 H 0.04746094939009 0.54547437352139 0.35334603098164 1.008 > 25 42 H 0.54746094939009 0.54547437352139 0.35334603098164 1.008 > 25 43 H 0.04746094939009 0.54547437352139 0.85334603098164 1.008 > 25 44 H 0.54746094939009 0.54547437352139 0.85334603098164 1.008 > 25 45 H 0.45253905060991 0.54547437352139 0.39665396901836 1.008 > 29 46 H 0.95253905060991 0.54547437352139 0.39665396901836 1.008 > 29 47 H 0.45253905060991 0.54547437352139 0.89665396901836 1.008 > 29 48 H 0.95253905060991 0.54547437352139 0.89665396901836 1.008 > 29 49 S 0.25000000000000 0.41314889866617 0.12500000000000 32.065 > 49 50 S 0.75000000000000 0.41314889866617 0.12500000000000 32.065 > 49 51 S 0.25000000000000 0.41314889866617 0.62500000000000 32.065 > 49 52 S 0.75000000000000 0.41314889866617 0.62500000000000 32.065 > 49 53 S 0.25000000000000 0.58685110133383 0.37500000000000 32.065 > 53 54 S 0.75000000000000 0.58685110133383 0.37500000000000 32.065 > 53 55 S 0.25000000000000 0.58685110133383 0.87500000000000 32.065 > 53 56 S 0.75000000000000 0.58685110133383 0.87500000000000 32.065 > 53 57 S 0.00000000000000 0.91314889866617 0.12500000000000 32.065 > 49 58 S 0.50000000000000 0.91314889866617 0.12500000000000 32.065 > 49 59 S 0.00000000000000 0.91314889866617 0.62500000000000 32.065 > 49 60 S 0.50000000000000 0.91314889866617 0.62500000000000 32.065 > 49 61 S 0.00000000000000 0.08685110133383 0.37500000000000 32.065 > 53 62 S 0.50000000000000 0.08685110133383 0.37500000000000 32.065 > 53 63 S 0.00000000000000 0.08685110133383 0.87500000000000 32.065 > 53 64 S 0.50000000000000 0.08685110133383 0.87500000000000 32.065 > 53 65 O 0.24361272454544 0.30656434376688 0.20321162287484 15.999 > 65 66 O 0.74361272454544 0.30656434376688 0.20321162287484 15.999 > 65 67 O 0.24361272454544 0.30656434376688 0.70321162287484 15.999 > 65 68 O 0.74361272454544 0.30656434376688 0.70321162287484 15.999 > 65 69 O 0.25638727545456 0.30656434376688 0.04678837712516 15.999 > 69 70 O 0.75638727545456 0.30656434376688 0.04678837712516 15.999 > 69 71 O 0.25638727545456 0.30656434376688 0.54678837712516 15.999 > 69 72 O 0.75638727545456 0.30656434376688 0.54678837712516 15.999 > 69 73 O 0.25638727545456 0.69343565623312 0.29678837712516 15.999 > 73 74 O 0.75638727545456 0.69343565623312 0.29678837712516 15.999 > 73 75 O 0.25638727545456 0.69343565623312 0.79678837712516 15.999 > 73 76 O 0.75638727545456 0.69343565623312 0.79678837712516 15.999 > 73 77 O 0.24361272454544 0.69343565623312 0.45321162287484 15.999 > 77 78 O 0.74361272454544 0.69343565623312 0.45321162287484 15.999 > 77 79 O 0.24361272454544 0.69343565623312 0.95321162287484 15.999 > 77 80 O 0.74361272454544 0.69343565623312 0.95321162287484 15.999 > 77 81 O 0.39860363193597 0.02499669258801 0.08136022055136 15.999 > 81 82 O 0.89860363193597 0.02499669258801 0.08136022055136 15.999 > 81 83 O 0.39860363193597 0.02499669258801 0.58136022055136 15.999 > 81 84 O 0.89860363193597 0.02499669258801 0.58136022055136 15.999 > 81 85 O 0.10139636806402 0.02499669258801 0.16863977944864 15.999 > 85 86 O 0.60139636806402 0.02499669258801 0.16863977944864 15.999 > 85 87 O 0.10139636806402 0.02499669258801 0.66863977944864 15.999 > 85 88 O 0.60139636806402 0.02499669258801 0.66863977944864 15.999 > 85 89 O 0.10139636806402 0.97500330741199 0.41863977944864 15.999 > 89 90 O 0.60139636806402 0.97500330741199 0.41863977944864 15.999 > 89 91 O 0.10139636806402 0.97500330741199 0.91863977944864 15.999 > 89 92 O 0.60139636806402 0.97500330741199 0.91863977944864 15.999 > 89 93 O 0.39860363193597 0.97500330741199 0.33136022055136 15.999 > 93 94 O 0.89860363193597 0.97500330741199 0.33136022055136 15.999 > 93 95 O 0.39860363193597 0.97500330741199 0.83136022055136 15.999 > 93 96 O 0.89860363193597 0.97500330741199 0.83136022055136 15.999 > 93 97 O 0.25000000000000 0.88002817787874 0.12500000000000 15.999 > 97 98 O 0.75000000000000 0.88002817787874 0.12500000000000 15.999 > 97 99 O 0.25000000000000 0.88002817787874 0.62500000000000 15.999 > 97 100 O 0.75000000000000 0.88002817787874 0.62500000000000 15.999 > 97 101 O 0.25000000000000 0.11997182212126 0.37500000000000 15.999 > 101 102 O 0.75000000000000 0.11997182212126 0.37500000000000 15.999 > 101 103 O 0.25000000000000 0.11997182212126 0.87500000000000 15.999 > 101 104 O 0.75000000000000 0.11997182212126 0.87500000000000 15.999 > 101 105 O 0.49361272454544 0.80656434376688 0.20321162287484 15.999 > 65 106 O 0.99361272454544 0.80656434376688 0.20321162287484 15.999 > 65 107 O 0.49361272454544 0.80656434376688 0.70321162287484 15.999 > 65 108 O 0.99361272454544 0.80656434376688 0.70321162287484 15.999 > 65 109 O 0.00638727545456 0.80656434376688 0.04678837712516 15.999 > 69 110 O 0.50638727545456 0.80656434376688 0.04678837712516 15.999 > 69 111 O 0.00638727545456 0.80656434376688 0.54678837712516 15.999 > 69 112 O 0.50638727545456 0.80656434376688 0.54678837712516 15.999 > 69 113 O 0.00638727545456 0.19343565623312 0.29678837712516 15.999 > 73 114 O 0.50638727545456 0.19343565623312 0.29678837712516 15.999 > 73 115 O 0.00638727545456 0.19343565623312 0.79678837712516 15.999 > 73 116 O 0.50638727545456 0.19343565623312 0.79678837712516 15.999 > 73 117 O 0.49361272454544 0.19343565623312 0.45321162287484 15.999 > 77 118 O 0.99361272454544 0.19343565623312 0.45321162287484 15.999 > 77 119 O 0.49361272454544 0.19343565623312 0.95321162287484 15.999 > 77 120 O 0.99361272454544 0.19343565623312 0.95321162287484 15.999 > 77 121 O 0.14860363193598 0.52499669258801 0.08136022055136 15.999 > 81 122 O 0.64860363193598 0.52499669258801 0.08136022055136 15.999 > 81 123 O 0.14860363193598 0.52499669258801 0.58136022055136 15.999 > 81 124 O 0.64860363193598 0.52499669258801 0.58136022055136 15.999 > 81 125 O 0.35139636806403 0.52499669258801 0.16863977944864 15.999 > 85 126 O 0.85139636806403 0.52499669258801 0.16863977944864 15.999 > 85 127 O 0.35139636806403 0.52499669258801 0.66863977944864 15.999 > 85 128 O 0.85139636806403 0.52499669258801 0.66863977944864 15.999 > 85 129 O 0.35139636806403 0.47500330741199 0.41863977944864 15.999 > 89 130 O 0.85139636806403 0.47500330741199 0.41863977944864 15.999 > 89 131 O 0.35139636806403 0.47500330741199 0.91863977944864 15.999 > 89 132 O 0.85139636806403 0.47500330741199 0.91863977944864 15.999 > 89 133 O 0.14860363193598 0.47500330741199 0.33136022055136 15.999 > 93 134 O 0.64860363193598 0.47500330741199 0.33136022055136 15.999 > 93 135 O 0.14860363193598 0.47500330741199 0.83136022055136 15.999 > 93 136 O 0.64860363193598 0.47500330741199 0.83136022055136 15.999 > 93 137 O 0.00000000000000 0.38002817787874 0.12500000000000 15.999 > 97 138 O 0.50000000000000 0.38002817787874 0.12500000000000 15.999 > 97 139 O 0.00000000000000 0.38002817787874 0.62500000000000 15.999 > 97 140 O 0.50000000000000 0.38002817787874 0.62500000000000 15.999 > 97 141 O 0.00000000000000 0.61997182212126 0.37500000000000 15.999 > 101 142 O 0.50000000000000 0.61997182212126 0.37500000000000 15.999 > 101 143 O 0.00000000000000 0.61997182212126 0.87500000000000 15.999 > 101 144 O 0.50000000000000 0.61997182212126 0.87500000000000 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9867832 0.0000000 -0.0992232 0.0000000 2.7537843 0.0000000 -0.0992245 0.0000000 2.7478432 -------------------------- Born effective charges -------------------------- 1 Zn 2.3737401 -0.2778829 0.0683050 -0.3474495 2.5177500 -0.0997225 -0.3490416 -0.0375460 2.4962108 2 Zn 2.3737401 0.2778829 0.0683050 0.3474495 2.5177500 0.0997225 -0.3490416 0.0375460 2.4962108 3 H 1.4043842 -0.4666698 -0.2293360 -0.3346182 0.4476926 0.0891800 -0.1224752 0.0327822 0.3828661 4 H 1.4043842 0.4666698 -0.2293360 0.3346182 0.4476926 -0.0891800 -0.1224752 -0.0327822 0.3828661 5 H 1.4043842 -0.4666698 -0.2293360 -0.3346182 0.4476926 0.0891800 -0.1224752 0.0327822 0.3828661 6 H 1.4043842 0.4666698 -0.2293360 0.3346182 0.4476926 -0.0891800 -0.1224752 -0.0327822 0.3828661 7 S 3.7672114 0.0000000 -0.5665851 0.0000000 3.3652025 0.0000000 0.2421881 0.0000000 3.5057658 8 S 3.7672114 0.0000000 -0.5665851 0.0000000 3.3652025 0.0000000 0.2421881 0.0000000 3.5057658 9 O -1.5320041 -0.4726328 0.7026892 -0.3995370 -1.3281653 0.5571302 0.5006784 0.5207841 -1.5510193 10 O -1.5320041 0.4726328 0.7026892 0.3995370 -1.3281653 -0.5571302 0.5006784 -0.5207841 -1.5510193 11 O -1.5320041 -0.4726328 0.7026892 -0.3995370 -1.3281653 0.5571302 0.5006784 0.5207841 -1.5510193 12 O -1.5320041 0.4726328 0.7026892 0.3995370 -1.3281653 -0.5571302 0.5006784 -0.5207841 -1.5510193 13 O -1.9913891 0.4159564 -0.2342167 0.3708410 -1.5805697 0.4993937 -0.2926254 0.5123105 -1.2116004 14 O -1.9913891 -0.4159564 -0.2342167 -0.3708410 -1.5805697 -0.4993937 -0.2926254 -0.5123105 -1.2116004 15 O -1.9913891 0.4159564 -0.2342167 0.3708410 -1.5805697 0.4993937 -0.2926254 0.5123105 -1.2116004 16 O -1.9913891 -0.4159564 -0.2342167 -0.3708410 -1.5805697 -0.4993937 -0.2926254 -0.5123105 -1.2116004 17 O -1.9029335 0.0000000 0.0200071 0.0000000 -0.9608675 0.0000000 -0.0643021 0.0000000 -1.2424694 18 O -1.9029335 0.0000000 0.0200071 0.0000000 -0.9608675 0.0000000 -0.0643021 0.0000000 -1.2424694 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000714 (xxx) -0.00000714 (xxx) -0.00000714 (xxx) Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) --------------------------- 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 ... [ 10 10 7 ] 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: 0.74, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/196) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 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 1.983 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 6.924 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 12.063 ( 0.000 0.000 0.000) 0.000 14.823 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 17.225 ( 0.000 0.000 0.000) 0.000 17.643 ( 0.000 0.000 0.000) 0.000 17.797 ( 0.000 0.000 0.000) 0.000 17.809 ( 0.000 0.000 0.000) 0.000 17.811 ( 0.000 0.000 0.000) 0.000 17.916 ( 0.000 0.000 0.000) 0.000 22.989 ( 0.000 0.000 0.000) 0.000 23.196 ( 0.000 0.000 0.000) 0.000 27.958 ( 0.000 0.000 0.000) 0.000 28.319 ( 0.000 0.000 0.000) 0.000 28.370 ( 0.000 0.000 0.000) 0.000 29.916 ( 0.000 0.000 0.000) 0.000 30.394 ( 0.000 0.000 0.000) 0.000 30.675 ( 0.000 0.000 0.000) 0.000 31.028 ( 0.000 0.000 0.000) 0.000 31.387 ( 0.000 0.000 0.000) 0.000 31.601 ( 0.000 0.000 0.000) 0.000 32.020 ( 0.000 0.000 0.000) 0.000 33.629 ( 0.000 0.000 0.000) 0.000 34.572 ( 0.000 0.000 0.000) 0.000 45.315 ( 0.000 0.000 0.000) 0.000 45.761 ( 0.000 0.000 0.000) 0.000 88.664 ( 0.000 0.000 0.000) 0.000 88.776 ( 0.000 0.000 0.000) 0.000 89.324 ( 0.000 0.000 0.000) 0.000 90.019 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/196) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 20.580 -11.734 20.832) 31.547 0.732 ( 22.485 -28.300 2.114) 36.207 1.143 ( 55.888 -22.267 -2.178) 60.200 2.193 ( 15.205 -10.643 -0.687) 18.573 2.984 ( -1.885 3.009 -1.070) 3.709 3.175 ( 5.472 -7.559 1.670) 9.480 3.624 ( 3.164 -0.531 4.161) 5.254 3.815 ( 5.775 -8.986 3.821) 11.345 4.096 ( -0.731 -0.241 1.594) 1.770 4.422 ( 2.836 23.148 30.976) 38.774 4.982 ( -8.703 3.077 -1.003) 9.285 5.507 ( -0.905 -1.558 4.185) 4.556 5.967 ( -23.306 -32.534 -6.677) 40.574 6.239 ( 1.618 8.966 5.449) 10.616 6.676 ( -2.825 -12.905 1.150) 13.260 6.936 ( 0.951 -5.186 -6.088) 8.054 7.414 ( -5.855 -5.255 1.791) 8.068 7.991 ( -8.778 2.764 2.853) 9.635 8.349 ( 2.533 -2.519 -1.536) 3.888 8.907 ( 11.200 -0.328 2.352) 11.449 9.759 ( -0.201 8.144 -2.186) 8.435 10.131 ( 3.486 11.473 6.254) 13.524 10.604 ( 8.907 4.594 -4.639) 11.043 10.736 ( 24.691 15.620 -33.610) 44.533 11.851 ( -0.803 0.845 -0.784) 1.405 12.044 ( -1.245 1.623 -0.289) 2.066 14.819 ( 0.113 -0.074 -1.221) 1.228 15.486 ( -6.572 -0.702 0.394) 6.622 17.229 ( -0.173 0.087 1.137) 1.154 17.639 ( 1.004 0.971 -0.927) 1.676 17.723 ( -4.064 -1.792 -0.156) 4.445 17.889 ( 5.588 3.884 -2.441) 7.229 18.006 ( 9.374 -3.258 2.511) 10.237 18.585 ( 33.260 19.323 -24.895) 45.819 22.989 ( -0.780 0.481 2.323) 2.497 23.264 ( 10.363 5.390 -21.366) 24.350 28.276 ( 1.040 4.334 0.666) 4.506 28.383 ( -0.089 -1.257 0.351) 1.308 29.807 ( -0.178 15.629 3.396) 15.995 30.010 ( 54.367 87.051 39.493) 109.969 30.392 ( 0.615 4.454 6.610) 7.994 30.722 ( 8.966 5.340 0.540) 10.450 30.966 ( -7.694 -2.905 -2.971) 8.745 31.490 ( 2.784 3.996 8.280) 9.606 31.599 ( 3.406 2.261 -0.280) 4.098 33.257 ( -65.034 -35.603 71.945) 103.310 34.048 ( 48.194 -2.527 -101.978) 112.821 34.591 ( 0.677 -0.977 1.384) 1.825 45.334 ( 1.483 -1.444 -0.449) 2.118 45.805 ( -2.125 -4.784 -0.705) 5.282 88.844 ( 8.215 0.607 2.078) 8.496 89.326 ( -1.165 -1.923 -0.097) 2.250 89.632 ( 49.207 46.216 -21.459) 70.836 90.907 ( 53.734 20.516 -76.797) 95.948 ======================= Grid point 2 (3/196) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 18.325 -12.933 17.671) 28.554 1.408 ( 19.545 -25.388 2.094) 32.108 2.145 ( 42.700 -15.314 0.232) 45.364 2.552 ( 14.018 -10.354 -2.627) 17.625 2.934 ( 0.961 -0.068 0.152) 0.975 3.459 ( 12.813 -11.030 1.241) 16.953 3.741 ( 5.184 -2.178 6.987) 8.969 4.011 ( 4.966 -2.367 -5.186) 7.560 4.160 ( -0.953 -8.685 9.732) 13.079 4.404 ( 1.334 9.719 15.254) 18.136 4.766 ( -11.347 3.417 -2.277) 12.067 5.550 ( -4.217 -4.873 6.693) 9.291 5.960 ( 2.878 -0.373 -12.385) 12.720 6.267 ( 11.026 4.275 2.622) 12.113 6.801 ( -3.775 -11.106 5.132) 12.804 7.007 ( 2.683 -11.747 -13.752) 18.284 7.413 ( 1.100 1.173 2.005) 2.570 7.827 ( -8.394 5.032 2.833) 10.188 8.404 ( 1.581 -2.605 -2.669) 4.051 9.104 ( 11.300 1.593 2.383) 11.658 9.626 ( -5.771 1.242 -2.198) 6.299 10.096 ( 5.670 7.837 0.310) 9.678 10.473 ( -3.458 6.836 -11.758) 14.034 10.765 ( 5.483 1.265 -0.943) 5.705 11.809 ( -1.791 1.579 -0.996) 2.587 11.987 ( -1.899 3.046 -0.331) 3.604 14.812 ( 0.127 -0.335 -1.808) 1.844 15.379 ( -8.796 -0.526 1.041) 8.873 17.232 ( -1.038 0.390 2.850) 3.058 17.642 ( 2.661 1.613 -1.441) 3.429 17.710 ( -1.492 -1.988 0.286) 2.502 17.896 ( 4.457 2.832 -3.113) 6.130 18.238 ( 13.021 -2.792 2.203) 13.498 18.674 ( 17.788 6.672 -10.412) 21.665 22.985 ( -1.721 0.924 3.863) 4.329 23.166 ( 0.454 3.453 -11.011) 11.548 28.242 ( -0.097 2.658 0.791) 2.774 28.392 ( -0.885 -1.151 -0.523) 1.543 29.613 ( -6.674 6.069 -2.446) 9.346 29.989 ( 24.571 40.737 17.473) 50.680 30.397 ( -0.559 2.790 6.958) 7.518 30.765 ( 7.719 10.846 2.285) 13.507 30.878 ( -6.334 -6.594 -5.711) 10.780 31.464 ( -6.135 -0.765 0.104) 6.183 31.678 ( 8.440 2.631 1.654) 8.994 33.273 ( -26.334 -15.442 29.455) 42.421 34.077 ( 23.845 -2.754 -44.801) 50.826 34.620 ( -0.859 -0.151 3.975) 4.069 45.385 ( 2.413 -2.333 -0.688) 3.426 45.838 ( -0.869 -4.191 -0.127) 4.282 89.014 ( 13.105 2.532 3.863) 13.895 89.340 ( -0.785 -2.784 -0.299) 2.908 89.619 ( 21.594 20.125 -9.754) 31.087 90.873 ( 23.313 9.712 -36.465) 44.357 ======================= Grid point 3 (4/196) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 13.416 -13.882 12.647) 23.079 1.983 ( 16.578 -19.503 2.255) 25.696 2.529 ( 7.473 4.972 -3.157) 9.515 2.977 ( 14.975 -7.731 4.213) 17.372 3.081 ( 10.335 -12.585 3.090) 16.576 3.719 ( 8.203 -0.727 1.165) 8.317 3.976 ( 8.238 -3.460 1.042) 8.996 4.055 ( 8.004 -6.066 0.864) 10.080 4.234 ( -4.839 -1.946 0.888) 5.291 4.414 ( -2.750 6.853 3.534) 8.186 4.655 ( -3.126 -7.582 7.665) 11.226 5.583 ( -6.646 -5.504 2.038) 8.866 5.932 ( 11.654 4.573 -10.600) 16.404 6.462 ( 14.262 2.932 5.662) 15.623 6.953 ( 1.446 -9.841 5.747) 11.487 7.057 ( -0.523 -8.819 -14.680) 17.133 7.464 ( 8.523 1.679 -4.625) 9.841 7.685 ( -3.569 6.232 6.962) 10.002 8.408 ( -1.209 -1.731 -4.097) 4.609 9.155 ( -0.416 6.521 -1.002) 6.610 9.560 ( -3.464 -3.747 0.411) 5.119 10.136 ( 7.888 1.295 0.894) 8.043 10.246 ( -9.157 4.148 -3.678) 10.705 10.778 ( -0.055 1.644 -1.850) 2.476 11.746 ( -2.507 1.938 -0.698) 3.245 11.912 ( -2.073 3.437 -0.294) 4.025 14.807 ( 0.083 -0.578 -1.658) 1.757 15.271 ( -7.275 -0.476 1.490) 7.441 17.229 ( -1.377 0.631 3.056) 3.410 17.649 ( 2.779 1.681 -2.313) 3.987 17.724 ( -0.088 -1.245 0.654) 1.409 17.908 ( 3.537 1.497 -2.362) 4.509 18.478 ( 12.667 -2.171 1.239) 12.912 18.777 ( 10.390 2.341 -4.642) 11.618 22.970 ( -2.467 1.107 4.187) 4.984 23.042 ( -2.512 2.603 -7.111) 7.978 28.223 ( -0.025 1.502 1.769) 2.321 28.378 ( -1.356 -0.492 -1.503) 2.084 29.437 ( -6.509 1.949 -3.938) 7.853 29.968 ( 14.409 24.299 10.875) 30.271 30.403 ( -1.653 0.520 4.938) 5.233 30.718 ( -0.188 5.265 1.366) 5.443 30.860 ( 1.489 -0.551 -4.560) 4.828 31.366 ( -7.083 -0.974 -1.607) 7.329 31.766 ( 5.676 1.740 0.499) 5.958 33.295 ( -11.761 -7.669 13.706) 19.621 34.174 ( 16.737 -4.781 -25.423) 30.811 34.619 ( -3.437 1.610 6.736) 7.732 45.448 ( 2.429 -2.330 -0.639) 3.426 45.880 ( -0.378 -3.558 0.048) 3.578 89.184 ( 9.172 2.932 4.012) 10.432 89.368 ( 5.208 3.211 -1.575) 6.318 89.642 ( 9.357 4.149 -2.901) 10.639 90.823 ( 11.678 5.588 -21.539) 25.130 ======================= Grid point 4 (5/196) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 6.106 -12.746 6.610) 15.602 2.424 ( 12.705 -11.467 2.535) 17.301 2.490 ( 2.908 7.057 -2.970) 8.190 3.128 ( 1.252 -0.849 2.129) 2.611 3.435 ( 4.426 -8.967 9.636) 13.887 3.792 ( 4.527 2.159 -2.869) 5.778 3.996 ( 1.364 3.605 0.060) 3.855 4.167 ( -2.082 -2.374 -5.648) 6.470 4.275 ( -2.606 4.387 3.327) 6.091 4.398 ( 9.815 -7.746 -1.035) 12.546 4.831 ( 0.651 -8.435 10.218) 13.266 5.491 ( -4.656 2.302 -6.072) 7.990 6.064 ( 9.691 -3.896 -1.861) 10.610 6.629 ( 6.475 2.371 5.039) 8.541 7.029 ( 2.792 -0.537 -9.535) 9.950 7.119 ( -4.648 -7.773 5.434) 10.562 7.494 ( 8.246 2.851 -8.091) 11.899 7.750 ( 10.778 2.398 6.993) 13.069 8.383 ( -0.488 -2.584 -3.486) 4.367 8.926 ( -13.607 7.286 -2.342) 15.611 9.627 ( 0.314 -7.747 3.165) 8.374 10.030 ( -7.006 7.011 -3.309) 10.449 10.301 ( 8.925 -2.626 3.318) 9.877 10.706 ( -3.883 1.425 -3.036) 5.130 11.684 ( -2.046 1.460 -0.284) 2.529 11.842 ( -1.551 2.444 -0.184) 2.900 14.805 ( 0.030 -0.470 -0.974) 1.082 15.202 ( -3.821 -0.274 1.175) 4.007 17.222 ( -0.956 0.456 1.940) 2.210 17.648 ( 1.604 1.048 -1.980) 2.755 17.742 ( 0.350 -0.452 0.449) 0.727 17.924 ( 1.853 0.578 -1.011) 2.189 18.678 ( 9.763 -1.592 0.473) 9.903 18.837 ( 3.072 0.990 -1.652) 3.626 22.935 ( -3.189 1.374 -1.376) 3.735 22.950 ( -0.895 0.892 0.342) 1.309 28.229 ( 0.372 0.514 2.185) 2.275 28.348 ( -1.162 0.034 -1.857) 2.191 29.318 ( -3.830 0.435 -2.799) 4.763 29.959 ( 7.095 11.985 5.762) 15.072 30.406 ( -1.391 -0.281 2.522) 2.894 30.670 ( -1.013 1.725 0.495) 2.061 30.855 ( 2.137 1.508 -2.388) 3.542 31.273 ( -4.832 -0.878 -1.427) 5.115 31.810 ( 2.605 1.013 -0.073) 2.796 33.315 ( -4.452 -3.232 5.491) 7.773 34.307 ( 12.090 -5.269 -15.852) 20.621 34.576 ( -5.587 3.095 8.499) 10.631 45.499 ( 1.509 -1.439 -0.369) 2.118 45.913 ( -0.131 -2.080 0.059) 2.085 89.273 ( 0.004 -2.873 3.391) 4.444 89.368 ( 8.646 10.019 -3.423) 13.669 89.743 ( 4.192 -2.710 1.596) 5.241 90.770 ( 4.862 2.783 -11.130) 12.460 ======================= Grid point 5 (6/196) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -0.000 0.000 -0.000) 0.000 2.427 ( 0.000 -0.000 0.000) 0.000 2.628 ( 0.000 -0.000 0.000) 0.000 3.128 ( 0.000 -0.000 0.000) 0.000 3.566 ( -0.000 -0.000 0.000) 0.000 3.785 ( 0.000 -0.000 0.000) 0.000 3.978 ( 0.000 -0.000 0.000) 0.000 4.155 ( 0.000 -0.000 -0.000) 0.000 4.233 ( 0.000 -0.000 0.000) 0.000 4.520 ( 0.000 -0.000 0.000) 0.000 4.964 ( 0.000 -0.000 0.000) 0.000 5.387 ( 0.000 -0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.675 ( -0.000 -0.000 -0.000) 0.000 7.051 ( 0.000 -0.000 0.000) 0.000 7.089 ( 0.000 -0.000 0.000) 0.000 7.533 ( 0.000 -0.000 -0.000) 0.000 7.883 ( -0.000 -0.000 0.000) 0.000 8.417 ( 0.000 -0.000 0.000) 0.000 8.695 ( 0.000 -0.000 0.000) 0.000 9.770 ( 0.000 -0.000 0.000) 0.000 9.840 ( -0.000 0.000 -0.000) 0.000 10.433 ( 0.000 -0.000 0.000) 0.000 10.627 ( 0.000 0.000 0.000) 0.000 11.656 ( 0.000 -0.000 0.000) 0.000 11.812 ( 0.000 -0.000 0.000) 0.000 14.805 ( 0.000 -0.000 0.000) 0.000 15.180 ( 0.000 -0.000 0.000) 0.000 17.219 ( 0.000 -0.000 0.000) 0.000 17.645 ( 0.000 -0.000 0.000) 0.000 17.749 ( 0.000 -0.000 0.000) 0.000 17.931 ( 0.000 -0.000 0.000) 0.000 18.797 ( -0.000 0.000 -0.000) 0.000 18.817 ( 0.000 -0.000 0.000) 0.000 22.895 ( 0.000 -0.000 -0.000) 0.000 22.939 ( 0.000 -0.000 0.000) 0.000 28.241 ( 0.000 -0.000 0.000) 0.000 28.328 ( 0.000 -0.000 0.000) 0.000 29.276 ( 0.000 -0.000 0.000) 0.000 29.957 ( 0.000 0.000 0.000) 0.000 30.407 ( 0.000 -0.000 0.000) 0.000 30.653 ( -0.000 -0.000 -0.000) 0.000 30.852 ( 0.000 0.000 0.000) 0.000 31.236 ( 0.000 -0.000 0.000) 0.000 31.822 ( 0.000 -0.000 0.000) 0.000 33.323 ( 0.000 -0.000 0.000) 0.000 34.394 ( 0.000 -0.000 -0.000) 0.000 34.527 ( -0.000 -0.000 0.000) 0.000 45.519 ( 0.000 -0.000 0.000) 0.000 45.926 ( 0.000 -0.000 0.000) 0.000 89.316 ( 0.000 0.000 -0.000) 0.000 89.339 ( 0.000 -0.000 0.000) 0.000 89.806 ( 0.000 -0.000 0.000) 0.000 90.745 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/196) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 29.294 0.000 5.960) 29.894 1.076 ( 25.171 0.000 17.369) 30.582 1.912 ( 55.295 0.000 -1.139) 55.307 2.432 ( 22.624 0.000 -0.613) 22.632 3.070 ( 3.697 0.000 0.512) 3.732 3.172 ( 10.080 0.000 -2.312) 10.342 3.741 ( 6.417 0.000 6.302) 8.994 3.909 ( 8.245 0.000 6.369) 10.418 4.088 ( -2.120 -0.000 2.182) 3.042 4.652 ( -12.930 -0.000 19.345) 23.268 4.820 ( -12.299 -0.000 -2.666) 12.584 5.319 ( -6.812 -0.000 9.873) 11.995 5.987 ( 24.917 0.000 -12.081) 27.692 6.422 ( 5.791 0.000 5.924) 8.285 6.544 ( -0.077 -0.000 0.637) 0.641 6.838 ( -0.403 -0.000 -10.372) 10.379 7.430 ( 4.642 0.000 -0.006) 4.642 7.896 ( -9.113 -0.000 5.051) 10.419 8.366 ( 3.488 0.000 -3.186) 4.724 9.121 ( 13.021 0.000 3.225) 13.414 9.637 ( -9.516 -0.000 -3.608) 10.177 10.218 ( -1.529 -0.000 3.768) 4.067 10.648 ( -8.951 -0.000 -24.759) 26.327 10.758 ( 6.494 0.000 0.930) 6.560 11.833 ( -1.914 -0.000 -0.405) 1.956 12.028 ( -2.031 -0.000 -0.303) 2.053 14.822 ( 2.053 0.000 -4.660) 5.092 15.371 ( -8.408 -0.000 0.929) 8.459 17.238 ( -1.145 -0.000 3.648) 3.824 17.637 ( -0.033 -0.000 -1.638) 1.638 17.696 ( 0.813 0.000 1.184) 1.436 17.963 ( 2.571 0.000 -0.708) 2.666 18.180 ( 13.845 0.000 1.315) 13.907 18.791 ( 12.545 0.000 -20.567) 24.091 22.996 ( -2.081 -0.000 4.377) 4.846 23.220 ( 0.567 0.000 -16.334) 16.343 28.288 ( -1.782 -0.000 0.312) 1.809 28.366 ( -0.327 -0.000 -0.319) 0.457 29.642 ( -8.949 -0.000 -9.322) 12.922 30.358 ( -3.222 -0.000 6.715) 7.448 30.559 ( -11.802 -0.000 -14.089) 18.379 30.800 ( 2.288 0.000 0.337) 2.313 31.364 ( 4.860 0.000 5.696) 7.487 31.483 ( -9.269 -0.000 5.040) 10.551 32.214 ( 12.948 0.000 -1.474) 13.032 32.501 ( -27.631 -0.000 65.704) 71.278 34.026 ( 33.706 0.000 -68.065) 75.954 34.571 ( -3.186 -0.000 5.829) 6.643 45.354 ( 3.042 0.000 -0.985) 3.198 45.772 ( 0.753 0.000 0.580) 0.950 89.051 ( 15.007 0.000 4.779) 15.749 89.284 ( -2.643 -0.000 0.262) 2.656 89.979 ( -2.128 -0.000 -2.095) 2.987 91.159 ( 40.021 0.000 -90.059) 98.551 ======================= Grid point 13 (8/196) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 23.585 -5.697 8.232) 25.622 1.607 ( 25.542 -8.850 7.382) 28.022 2.658 ( 35.331 -5.221 3.829) 35.919 2.727 ( 17.097 1.295 -1.140) 17.183 3.058 ( 7.428 7.908 0.084) 10.850 3.510 ( 17.931 -13.727 -1.992) 22.669 3.881 ( 6.633 0.695 6.795) 9.521 4.045 ( 2.711 0.698 -3.759) 4.687 4.117 ( -1.364 -5.284 11.191) 12.451 4.589 ( -11.244 3.159 -2.063) 11.860 4.615 ( 0.686 4.253 8.883) 9.873 5.370 ( -5.729 -8.430 8.394) 13.204 6.119 ( 11.084 7.544 -14.881) 20.030 6.540 ( 10.748 2.766 6.912) 13.074 6.715 ( 6.245 -7.369 7.664) 12.331 6.802 ( 3.218 -7.923 -16.552) 18.630 7.511 ( 8.438 1.107 -2.254) 8.803 7.810 ( -5.063 2.810 6.239) 8.513 8.382 ( 1.340 -0.435 -4.396) 4.616 9.268 ( 3.089 2.221 0.675) 3.864 9.497 ( -6.644 -1.327 -1.868) 7.028 10.206 ( 1.278 2.532 -0.468) 2.875 10.332 ( -11.450 2.285 -5.322) 12.831 10.805 ( 0.107 0.441 -2.079) 2.128 11.788 ( -2.786 1.026 -0.259) 2.980 11.980 ( -2.581 1.552 -0.357) 3.033 14.812 ( 1.941 0.562 -4.695) 5.112 15.264 ( -6.792 -0.094 1.696) 7.001 17.244 ( -1.899 0.431 4.630) 5.023 17.626 ( -1.149 -1.704 -1.721) 2.681 17.735 ( 3.177 0.946 1.166) 3.514 17.971 ( 2.487 2.460 -1.915) 3.988 18.407 ( 12.106 -2.476 1.874) 12.498 18.820 ( 8.161 0.902 -10.772) 13.545 22.987 ( -3.710 0.323 5.447) 6.599 23.089 ( -3.266 1.020 -10.306) 10.859 28.259 ( -1.416 1.028 1.197) 2.120 28.359 ( -1.096 -0.709 -0.768) 1.515 29.453 ( -7.374 0.088 -7.374) 10.429 30.256 ( -11.285 1.127 -12.451) 16.842 30.376 ( -2.258 -1.087 3.644) 4.422 30.797 ( -2.107 0.949 -0.175) 2.318 31.344 ( -8.363 8.341 10.157) 15.578 31.377 ( 5.678 11.054 3.889) 13.021 32.030 ( 13.038 28.560 7.237) 32.219 32.919 ( -10.049 -25.213 21.643) 34.715 34.055 ( 20.131 -3.545 -39.232) 44.238 34.580 ( -5.039 -2.798 7.088) 9.135 45.405 ( 4.034 -0.876 -1.322) 4.335 45.808 ( 1.376 -1.690 1.071) 2.428 89.232 ( -0.879 1.057 1.546) 2.069 89.360 ( 15.292 -1.260 6.571) 16.691 89.864 ( -1.534 7.177 -4.674) 8.702 91.018 ( 19.599 7.437 -49.614) 53.861 ======================= Grid point 14 (9/196) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 17.347 -4.830 6.861) 19.270 2.134 ( 22.888 -10.638 1.038) 25.260 2.784 ( 10.595 13.192 -2.827) 17.154 3.128 ( 8.650 2.320 -1.371) 9.060 3.204 ( 14.973 -7.852 11.483) 20.437 3.820 ( 7.979 -1.418 -3.291) 8.747 4.051 ( 0.504 -5.001 -0.540) 5.055 4.084 ( 7.308 -1.189 2.068) 7.687 4.181 ( 3.475 -3.861 2.452) 5.744 4.385 ( -9.399 1.739 2.510) 9.883 4.740 ( 8.710 2.709 10.185) 13.672 5.453 ( -1.190 -6.118 0.634) 6.265 6.048 ( 5.167 3.598 -9.977) 11.798 6.633 ( -1.574 -2.661 0.281) 3.104 6.906 ( 7.038 -8.082 -8.943) 13.959 6.965 ( 8.951 -1.727 7.026) 11.510 7.605 ( 10.066 3.206 -5.554) 11.935 7.800 ( 1.553 1.923 8.747) 9.090 8.363 ( 2.743 0.571 -5.332) 6.023 9.096 ( -16.750 5.388 -2.573) 17.783 9.468 ( -1.440 -4.423 1.664) 4.940 10.178 ( -4.207 3.989 0.722) 5.842 10.258 ( 7.702 -0.470 1.431) 7.848 10.732 ( -4.598 0.621 -4.828) 6.696 11.725 ( -3.071 1.489 0.022) 3.413 11.910 ( -2.817 2.410 -0.365) 3.726 14.803 ( 1.804 0.276 -3.638) 4.070 15.203 ( -3.299 0.192 2.227) 3.985 17.237 ( -2.286 0.696 4.176) 4.811 17.619 ( -1.989 -2.530 -1.476) 3.540 17.767 ( 2.745 1.945 0.039) 3.365 17.960 ( 1.719 1.871 -1.684) 3.049 18.613 ( 8.376 -3.109 1.873) 9.129 18.842 ( 2.577 -0.304 -5.208) 5.818 22.956 ( -5.365 0.390 2.929) 6.125 22.966 ( -2.711 0.335 -4.469) 5.238 28.245 ( -0.740 0.635 2.175) 2.384 28.339 ( -1.577 -0.568 -1.265) 2.100 29.324 ( -3.920 0.084 -4.114) 5.683 29.992 ( -13.337 -4.623 -14.678) 20.364 30.396 ( 0.179 -0.017 2.832) 2.838 30.730 ( -3.851 1.655 0.303) 4.203 31.196 ( -6.133 7.724 7.754) 12.546 31.355 ( 8.416 13.653 5.353) 16.908 31.959 ( 8.893 15.556 2.047) 18.035 33.159 ( -2.558 -10.786 9.743) 14.759 34.142 ( 13.740 -6.842 -24.587) 28.985 34.579 ( -7.706 -2.250 9.069) 12.112 45.469 ( 4.063 -0.847 -1.382) 4.375 45.865 ( 2.046 -1.520 1.522) 2.968 89.206 ( -4.242 -1.882 1.772) 4.968 89.638 ( 14.031 7.716 6.289) 17.204 89.717 ( -0.673 1.804 -4.161) 4.585 90.860 ( 7.264 3.988 -27.429) 28.654 ======================= Grid point 15 (10/196) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 13.201 -2.685 3.268) 13.862 2.538 ( 14.435 -6.271 -1.396) 15.801 2.714 ( 8.588 15.015 -3.668) 17.683 3.161 ( 2.780 3.119 -4.384) 6.056 3.491 ( 2.919 -3.556 12.715) 13.521 3.831 ( 3.186 2.203 -10.203) 10.913 4.013 ( -4.160 1.115 -0.932) 4.407 4.142 ( 3.638 0.344 5.406) 6.525 4.284 ( -5.507 2.313 5.720) 8.271 4.461 ( 8.640 -5.918 0.922) 10.513 4.906 ( 7.385 -0.070 8.632) 11.360 5.455 ( 1.941 2.380 -7.858) 8.436 6.089 ( 4.107 -4.672 -3.168) 6.980 6.631 ( -2.852 -4.810 -1.940) 5.919 6.968 ( -9.121 -3.589 1.954) 9.995 7.108 ( 10.501 1.121 -1.133) 10.621 7.640 ( 5.935 4.968 -3.185) 8.370 7.851 ( -7.001 -0.898 7.323) 10.171 8.438 ( 12.919 1.355 -3.128) 13.361 8.735 ( -16.503 2.708 -1.304) 16.775 9.593 ( 5.049 -6.818 4.634) 9.667 10.039 ( -2.757 8.382 -2.898) 9.288 10.419 ( 6.225 -0.881 3.016) 6.973 10.619 ( -3.696 -0.694 -4.723) 6.038 11.670 ( -1.903 0.947 0.324) 2.150 11.839 ( -2.270 1.827 -0.330) 2.933 14.807 ( 2.069 0.177 -2.411) 3.182 15.191 ( 0.402 0.722 1.741) 1.927 17.223 ( -1.881 0.369 2.614) 3.241 17.608 ( -3.048 -2.644 -0.393) 4.054 17.771 ( 1.603 1.674 -1.071) 2.554 17.950 ( 0.323 1.135 -0.370) 1.237 18.751 ( 2.899 -3.010 1.190) 4.345 18.810 ( -4.538 -0.677 -1.990) 5.001 22.885 ( -1.959 -0.624 -2.336) 3.112 22.931 ( -3.149 -0.576 2.248) 3.912 28.245 ( -0.776 0.276 1.225) 1.476 28.317 ( -1.114 -0.766 -0.311) 1.387 29.276 ( 0.004 0.090 -0.781) 0.786 29.759 ( -15.484 -10.205 -16.029) 24.512 30.414 ( 1.042 0.499 0.065) 1.157 30.663 ( -3.697 0.275 1.080) 3.862 31.085 ( -3.138 6.705 6.473) 9.834 31.362 ( 9.557 12.737 5.733) 16.924 31.908 ( 4.390 9.577 0.497) 10.547 33.288 ( 2.078 -3.446 2.811) 4.909 34.263 ( 9.654 -8.075 -17.238) 21.344 34.536 ( -10.622 -0.701 11.470) 15.649 45.520 ( 3.121 0.071 -1.195) 3.343 45.924 ( 2.484 -0.187 1.746) 3.042 89.182 ( -6.297 -3.984 2.873) 7.986 89.519 ( -3.651 6.201 -5.092) 8.815 89.859 ( 9.449 4.743 3.980) 11.297 90.743 ( 0.147 -0.291 -11.815) 11.820 ======================= Grid point 16 (11/196) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 10.963 0.786 0.668) 11.012 2.488 ( -5.640 12.688 -4.547) 14.611 2.727 ( 9.291 11.293 -3.934) 15.144 3.122 ( 2.303 -0.555 -7.258) 7.635 3.595 ( -0.452 2.352 5.823) 6.296 3.757 ( 0.867 1.106 -8.828) 8.939 3.950 ( -3.637 -0.190 1.389) 3.898 4.203 ( -1.928 0.746 4.902) 5.320 4.243 ( -0.309 2.376 6.055) 6.512 4.528 ( -2.630 2.368 1.773) 3.958 5.040 ( 6.909 5.557 -2.381) 9.180 5.431 ( 6.332 -0.422 -1.728) 6.577 6.125 ( -4.511 -0.793 -2.714) 5.324 6.607 ( -6.483 0.927 -2.450) 6.992 6.884 ( -8.827 -9.088 7.546) 14.746 7.239 ( 8.464 0.437 -3.748) 9.267 7.587 ( -2.162 8.171 2.345) 8.772 7.685 ( -16.208 -1.263 2.070) 16.388 8.473 ( -0.030 3.506 0.649) 3.565 8.753 ( 10.499 -5.775 0.663) 12.001 9.822 ( 5.923 -0.229 2.353) 6.378 9.876 ( 2.541 2.925 -1.062) 4.018 10.375 ( -7.741 2.723 -2.979) 8.730 10.657 ( 3.976 -2.472 1.077) 4.804 11.660 ( 0.569 -0.399 0.683) 0.975 11.804 ( -0.674 -0.386 -0.175) 0.796 14.823 ( 2.676 0.817 -1.321) 3.095 15.221 ( 4.166 1.144 0.398) 4.338 17.213 ( -0.851 -0.225 0.584) 1.057 17.592 ( -4.168 -2.876 1.371) 5.246 17.762 ( 0.686 0.979 -1.172) 1.674 17.933 ( -0.986 0.927 0.689) 1.519 18.691 ( -10.808 -0.449 -0.569) 10.833 18.787 ( -4.302 -2.860 0.650) 5.207 22.888 ( 0.801 -2.132 0.569) 2.347 22.920 ( -1.207 -1.443 0.111) 1.884 28.222 ( -1.498 0.003 -1.557) 2.160 28.332 ( 0.294 -1.199 2.097) 2.434 29.290 ( -0.079 -2.165 -2.605) 3.388 29.568 ( -14.555 -13.194 -12.437) 23.251 30.411 ( 1.015 0.514 -3.195) 3.391 30.633 ( -3.115 -1.675 1.940) 4.034 31.030 ( 0.644 6.435 6.596) 9.238 31.398 ( 9.510 10.376 5.447) 15.092 31.852 ( 0.992 5.983 0.262) 6.070 33.364 ( 5.742 0.585 -2.259) 6.198 34.356 ( 2.555 -4.227 -8.294) 9.654 34.463 ( -10.121 -2.576 9.213) 13.926 45.538 ( 1.596 1.517 -0.832) 2.354 45.964 ( 2.540 1.803 1.666) 3.532 89.153 ( -9.729 -5.838 3.439) 11.856 89.358 ( -5.477 2.456 -3.894) 7.155 89.869 ( 1.769 7.530 -2.026) 7.996 90.707 ( -2.687 -2.598 1.495) 4.025 ======================= Grid point 17 (12/196) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -13.000 14.840 -10.176) 22.198 2.514 ( 5.717 14.068 -3.478) 15.578 2.561 ( 2.373 12.758 2.467) 13.209 3.091 ( -1.362 1.774 -6.651) 7.017 3.452 ( -4.767 12.894 -4.347) 14.418 3.711 ( -3.630 -0.368 -1.906) 4.116 3.950 ( -1.431 -2.282 3.776) 4.638 4.141 ( -7.098 0.587 -0.891) 7.177 4.287 ( 0.845 -2.311 1.572) 2.920 4.395 ( -5.606 8.131 3.396) 10.444 4.942 ( 5.403 13.208 -8.347) 16.532 5.612 ( 9.199 -2.855 1.034) 9.687 5.929 ( -14.645 3.384 3.561) 15.447 6.418 ( -11.782 0.245 -4.209) 12.514 6.997 ( -6.211 -8.117 7.378) 12.606 7.235 ( 1.838 4.115 2.443) 5.127 7.519 ( -1.567 5.565 9.324) 10.971 7.554 ( 1.976 -1.301 -9.391) 9.684 8.466 ( 1.685 2.367 2.600) 3.899 8.966 ( 3.470 -7.339 1.294) 8.221 9.696 ( -0.985 6.927 -3.646) 7.889 10.116 ( 7.453 -4.239 4.806) 9.829 10.176 ( -7.439 2.346 -1.789) 8.003 10.725 ( -0.362 -2.438 0.524) 2.519 11.701 ( 2.031 -1.462 1.160) 2.759 11.827 ( 0.778 -2.817 0.053) 2.923 14.844 ( 3.438 2.078 -0.598) 4.061 15.293 ( 7.693 1.276 -0.791) 7.838 17.212 ( 0.197 -0.658 -1.059) 1.263 17.577 ( -4.939 -3.266 2.456) 6.410 17.752 ( 0.383 0.665 -0.527) 0.931 17.907 ( -1.990 0.981 1.701) 2.796 18.502 ( -14.278 -0.248 -0.158) 14.281 18.706 ( -11.807 -3.059 0.415) 12.204 22.930 ( 0.353 -1.924 -1.705) 2.595 22.963 ( 2.181 -3.393 3.120) 5.099 28.191 ( -1.434 -0.915 -1.886) 2.540 28.374 ( 1.110 -0.894 2.199) 2.620 29.201 ( -16.755 -16.047 -19.044) 30.015 29.553 ( 0.958 -4.174 4.782) 6.419 30.390 ( 0.884 -0.087 -5.164) 5.240 30.631 ( -3.364 -3.062 1.607) 4.825 31.034 ( 4.358 6.715 6.945) 10.598 31.459 ( 8.509 7.165 4.576) 12.028 31.784 ( -1.917 4.109 -0.037) 4.534 33.423 ( 10.574 3.147 -7.542) 13.364 34.277 ( -13.419 3.053 14.107) 19.708 34.486 ( -0.527 -8.085 -6.383) 10.314 45.517 ( 0.091 2.938 -0.383) 2.964 45.976 ( 2.291 3.766 1.335) 4.606 89.070 ( -13.001 -5.236 0.807) 14.039 89.251 ( -8.411 -3.170 1.101) 9.056 89.724 ( -3.634 7.557 -4.562) 9.546 90.729 ( -4.477 -2.486 8.813) 10.193 ======================= Grid point 18 (13/196) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -15.642 17.158 -12.585) 26.409 2.090 ( -15.775 25.943 -0.552) 30.368 2.543 ( 2.584 14.505 -1.941) 14.861 2.915 ( -6.198 12.990 -0.153) 14.393 3.132 ( -5.139 15.201 -1.727) 16.138 3.604 ( -7.532 2.545 -1.366) 8.067 3.886 ( -8.202 5.432 -7.417) 12.320 4.032 ( -1.445 0.405 4.951) 5.173 4.227 ( -3.624 -0.338 -5.324) 6.449 4.377 ( 0.665 0.838 -0.724) 1.291 4.815 ( 6.946 10.435 -4.748) 13.404 5.523 ( -16.204 -2.127 -2.152) 16.484 5.994 ( 14.905 -0.049 7.959) 16.897 6.212 ( -11.913 -0.296 -0.732) 11.939 6.981 ( -1.923 0.404 0.931) 2.174 7.306 ( 1.885 8.572 13.582) 16.171 7.428 ( 5.196 4.848 -8.020) 10.716 7.669 ( 6.383 -6.075 0.918) 8.860 8.478 ( 1.398 2.794 1.815) 3.613 9.026 ( -6.209 -4.254 0.002) 7.526 9.589 ( -4.934 -0.043 -3.392) 5.988 9.997 ( -7.169 0.754 2.097) 7.508 10.349 ( 6.330 -3.777 5.170) 9.003 10.709 ( -6.333 -2.764 -0.745) 6.950 11.762 ( 1.688 -1.909 1.546) 2.980 11.890 ( 1.248 -4.123 0.223) 4.313 14.863 ( 4.288 3.388 -0.421) 5.481 15.400 ( 9.211 1.177 -1.085) 9.349 17.218 ( 0.590 -0.715 -1.518) 1.778 17.563 ( -5.140 -3.747 2.066) 6.688 17.752 ( 1.064 0.830 0.542) 1.454 17.877 ( -2.272 1.041 2.775) 3.735 18.282 ( -14.098 0.435 -1.053) 14.144 18.529 ( -18.614 -4.413 1.012) 19.156 22.949 ( 0.824 -1.851 -2.478) 3.201 23.069 ( 0.958 -4.045 4.992) 6.496 28.177 ( -1.705 -2.200 -1.163) 3.017 28.408 ( 0.610 -0.035 0.574) 0.839 28.971 ( -25.875 -23.232 -24.044) 42.277 29.702 ( 6.601 -0.259 9.634) 11.681 30.369 ( 1.278 -0.564 -6.001) 6.161 30.625 ( -4.834 -4.115 0.525) 6.370 31.086 ( 7.434 7.187 6.985) 12.478 31.529 ( 6.400 4.169 3.161) 8.267 31.680 ( -5.044 3.549 -1.252) 6.293 33.500 ( 18.550 5.163 -15.815) 24.917 34.144 ( -18.018 2.490 25.312) 31.170 34.516 ( -2.325 -7.461 -7.100) 10.558 45.466 ( -0.838 3.801 0.007) 3.893 45.959 ( 1.954 5.017 0.926) 5.463 88.932 ( -12.203 -3.683 -0.821) 12.772 89.160 ( -18.936 -8.854 5.204) 21.542 89.544 ( -2.547 7.054 -3.627) 8.330 90.751 ( -6.594 -1.867 11.562) 13.440 ======================= Grid point 19 (14/196) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -13.819 20.105 -11.050) 26.782 1.413 ( -27.473 27.011 0.374) 38.529 2.095 ( -7.600 41.436 -2.885) 42.226 2.608 ( -7.635 18.746 2.637) 20.412 3.035 ( 7.733 6.371 0.907) 10.060 3.378 ( -11.580 7.712 -1.388) 13.982 3.676 ( -2.705 3.298 -6.745) 7.981 4.055 ( -0.931 2.908 8.173) 8.725 4.141 ( -5.249 -3.622 -8.927) 10.971 4.221 ( -2.012 12.316 -9.397) 15.622 4.872 ( 7.222 -2.578 -0.097) 7.669 5.374 ( -10.834 -7.865 0.605) 13.401 6.079 ( -4.691 -2.591 -2.354) 5.853 6.332 ( 21.024 0.599 6.436) 21.996 6.975 ( 6.258 6.643 -0.745) 9.157 7.167 ( -7.081 12.769 7.676) 16.496 7.543 ( 20.586 2.755 -3.738) 21.103 7.864 ( 5.723 -6.989 1.173) 9.109 8.448 ( -0.038 4.624 0.510) 4.652 8.921 ( -8.107 0.718 -0.904) 8.188 9.431 ( -24.988 -9.241 -2.657) 26.775 9.989 ( 2.626 -0.303 4.159) 4.928 10.473 ( -1.719 -3.042 6.347) 7.246 10.600 ( -10.835 -2.771 -1.715) 11.314 11.816 ( 0.713 -1.835 1.289) 2.353 11.963 ( 0.927 -4.265 0.235) 4.370 14.878 ( 4.423 4.140 -0.528) 6.082 15.505 ( 6.862 0.901 -0.626) 6.949 17.223 ( 0.048 -0.436 -0.610) 0.751 17.551 ( -5.325 -4.761 1.079) 7.224 17.778 ( 3.560 1.435 1.492) 4.118 17.859 ( -0.994 1.354 3.298) 3.701 18.068 ( -10.269 1.549 -2.641) 10.716 18.287 ( -23.373 -5.600 1.383) 24.074 22.964 ( 0.545 -1.447 -1.849) 2.411 23.150 ( -2.509 -3.767 5.581) 7.186 28.154 ( -7.285 -4.059 -3.270) 8.958 28.378 ( -4.748 -2.059 -5.288) 7.399 28.688 ( -23.088 -16.790 -18.061) 33.781 29.866 ( 5.913 1.044 8.412) 10.335 30.362 ( 2.442 -0.961 -5.532) 6.123 30.600 ( -5.892 -4.635 -0.010) 7.497 31.169 ( 9.402 8.064 6.727) 14.095 31.520 ( -7.026 3.863 -3.772) 8.861 31.581 ( 2.344 1.032 1.650) 3.046 33.611 ( 26.912 6.289 -27.945) 39.303 34.074 ( -20.693 -0.042 40.282) 45.286 34.503 ( -4.068 -6.737 -7.445) 10.833 45.403 ( -0.869 3.787 0.165) 3.888 45.926 ( 1.668 4.997 0.628) 5.305 88.806 ( -9.473 -2.721 -0.063) 9.857 88.952 ( -29.731 -9.177 5.806) 31.652 89.433 ( 0.536 5.673 -1.337) 5.853 90.745 ( -7.633 -0.897 10.965) 13.390 ======================= Grid point 20 (15/196) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.000 23.522 -0.000) 23.522 0.748 ( -0.000 31.176 -0.000) 31.176 1.391 ( -0.000 52.658 -0.000) 52.658 2.291 ( -0.000 19.944 -0.000) 19.944 3.095 ( -0.000 6.623 -0.000) 6.623 3.132 ( -0.000 3.694 -0.000) 3.694 3.603 ( -0.000 1.851 -0.000) 1.851 3.929 ( -0.000 16.313 -0.000) 16.313 4.059 ( 0.000 -0.880 0.000) 0.880 4.097 ( -0.000 0.323 -0.000) 0.323 4.995 ( 0.000 -5.566 0.000) 5.566 5.394 ( 0.000 -6.949 0.000) 6.949 6.096 ( 0.000 -6.781 0.000) 6.781 6.619 ( 0.000 -5.433 0.000) 5.433 6.894 ( -0.000 16.596 -0.000) 16.596 7.007 ( -0.000 4.867 -0.000) 4.867 7.945 ( 0.000 -5.077 0.000) 5.077 7.959 ( 0.000 -7.668 0.000) 7.668 8.384 ( -0.000 4.751 -0.000) 4.751 8.845 ( -0.000 3.399 -0.000) 3.399 9.025 ( -0.000 0.957 -0.000) 0.957 10.055 ( -0.000 0.235 -0.000) 0.235 10.466 ( 0.000 -1.388 0.000) 1.388 10.528 ( 0.000 -1.372 0.000) 1.372 11.847 ( 0.000 -1.375 0.000) 1.375 12.022 ( 0.000 -3.439 0.000) 3.439 14.867 ( -0.000 3.385 -0.000) 3.385 15.552 ( -0.000 0.404 -0.000) 0.404 17.223 ( 0.000 -0.188 0.000) 0.188 17.559 ( 0.000 -4.869 0.000) 4.869 17.813 ( -0.000 1.315 -0.000) 1.315 17.869 ( -0.000 2.956 -0.000) 2.956 17.935 ( -0.000 1.364 -0.000) 1.364 18.067 ( 0.000 -0.998 0.000) 0.998 22.977 ( 0.000 -0.967 0.000) 0.967 23.173 ( 0.000 -1.764 0.000) 1.764 27.966 ( -0.000 0.650 -0.000) 0.650 28.332 ( 0.000 -2.763 0.000) 2.763 28.547 ( 0.000 -0.933 0.000) 0.933 29.934 ( -0.000 1.249 -0.000) 1.249 30.380 ( 0.000 -1.051 0.000) 1.051 30.602 ( 0.000 -4.427 0.000) 4.427 31.187 ( -0.000 10.620 -0.000) 10.620 31.385 ( 0.000 -0.158 0.000) 0.158 31.598 ( -0.000 0.092 -0.000) 0.092 33.675 ( -0.000 3.517 -0.000) 3.517 34.107 ( 0.000 -1.662 0.000) 1.662 34.499 ( 0.000 -5.317 0.000) 5.317 45.353 ( -0.000 2.892 -0.000) 2.892 45.891 ( -0.000 3.393 -0.000) 3.393 88.661 ( 0.000 -0.151 0.000) 0.151 88.775 ( 0.000 -0.061 0.000) 0.061 89.375 ( -0.000 3.870 -0.000) 3.870 90.719 ( -0.000 0.562 -0.000) 0.562 ======================= Grid point 23 (16/196) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 25.765 0.000 5.140) 26.273 1.941 ( 22.593 0.000 2.183) 22.698 2.966 ( 12.266 0.000 -2.508) 12.520 3.090 ( 21.063 0.000 10.872) 23.704 3.241 ( 7.419 0.000 -0.559) 7.440 3.705 ( 23.196 0.000 -5.631) 23.870 4.010 ( -4.075 -0.000 2.729) 4.905 4.016 ( 5.240 0.000 3.068) 6.072 4.177 ( 1.978 0.000 6.378) 6.677 4.397 ( -10.665 -0.000 -2.105) 10.871 4.840 ( 15.230 0.000 6.983) 16.754 5.309 ( -5.041 -0.000 9.374) 10.644 6.139 ( 1.004 0.000 -14.009) 14.045 6.580 ( -4.219 -0.000 -3.905) 5.749 6.764 ( 10.957 0.000 -7.847) 13.477 6.959 ( 14.939 0.000 8.182) 17.032 7.638 ( 8.767 0.000 -2.658) 9.161 7.834 ( -0.438 -0.000 6.892) 6.905 8.377 ( 4.260 0.000 -5.465) 6.929 9.171 ( -17.954 -0.000 -1.948) 18.059 9.410 ( -2.133 -0.000 0.677) 2.238 10.219 ( -1.178 -0.000 4.766) 4.910 10.267 ( 4.336 0.000 -1.792) 4.692 10.740 ( -5.215 -0.000 -5.637) 7.680 11.746 ( -3.486 -0.000 0.126) 3.489 11.944 ( -3.153 -0.000 -0.411) 3.180 14.809 ( 2.199 0.000 -5.073) 5.529 15.206 ( -3.015 -0.000 2.571) 3.963 17.249 ( -2.868 -0.000 5.514) 6.216 17.577 ( -2.041 -0.000 -1.869) 2.768 17.798 ( 2.795 0.000 0.967) 2.958 17.992 ( 0.516 0.000 -2.384) 2.439 18.562 ( 8.305 0.000 2.365) 8.635 18.836 ( 2.658 0.000 -7.113) 7.593 22.961 ( -5.512 -0.000 5.807) 8.006 22.969 ( -4.185 -0.000 -7.588) 8.666 28.255 ( -1.307 -0.000 1.930) 2.330 28.329 ( -1.603 -0.000 -0.865) 1.822 29.325 ( -3.701 -0.000 -4.372) 5.728 29.918 ( -15.817 -0.000 -17.041) 23.250 30.397 ( 0.626 0.000 3.012) 3.076 30.751 ( -4.284 -0.000 -0.964) 4.392 31.236 ( -7.658 -0.000 0.149) 7.660 31.547 ( 0.155 0.000 7.695) 7.696 32.652 ( -6.310 -0.000 22.472) 23.341 32.653 ( 16.413 0.000 -1.729) 16.503 34.034 ( 13.885 0.000 -27.851) 31.120 34.534 ( -6.547 -0.000 8.418) 10.665 45.458 ( 5.050 0.000 -1.783) 5.355 45.844 ( 3.018 0.000 2.116) 3.686 89.182 ( -4.933 -0.000 1.321) 5.107 89.681 ( 14.582 0.000 6.327) 15.895 89.812 ( -3.738 -0.000 -0.055) 3.738 90.926 ( 7.643 0.000 -39.341) 40.076 ======================= Grid point 24 (17/196) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 19.403 2.787 1.839) 19.688 2.344 ( 20.150 -7.626 -1.175) 21.577 3.032 ( 5.676 7.116 -1.824) 9.283 3.290 ( 7.012 5.292 -6.216) 10.762 3.429 ( 10.709 -1.285 11.902) 16.062 3.911 ( 9.208 5.100 -7.458) 12.900 3.987 ( -3.031 -1.482 2.209) 4.033 4.183 ( 10.103 -10.458 -2.671) 14.785 4.220 ( 1.387 3.696 5.463) 6.740 4.313 ( -3.489 -2.353 8.640) 9.610 5.064 ( 11.972 10.413 8.101) 17.816 5.379 ( 2.275 -8.457 2.018) 8.987 6.035 ( 0.052 0.352 -9.787) 9.793 6.505 ( -2.942 -3.220 -5.173) 6.766 6.871 ( 3.746 -3.026 -4.836) 6.825 7.145 ( 3.986 0.892 4.031) 5.739 7.689 ( 0.789 0.079 -2.352) 2.482 7.887 ( 0.032 2.018 8.232) 8.476 8.469 ( 13.573 0.808 -4.143) 14.214 8.799 ( -24.432 1.671 -0.618) 24.497 9.468 ( 5.834 -2.616 4.088) 7.589 10.207 ( -0.527 3.923 -0.120) 3.960 10.401 ( 9.333 -0.396 3.586) 10.006 10.594 ( -6.779 -0.934 -7.973) 10.507 11.693 ( -3.107 0.579 0.446) 3.192 11.883 ( -3.428 1.128 -0.500) 3.644 14.812 ( 3.019 0.133 -4.103) 5.096 15.208 ( 0.766 0.440 2.797) 2.933 17.237 ( -3.423 0.551 5.163) 6.219 17.540 ( -2.909 -1.917 -1.601) 3.834 17.821 ( 1.110 1.623 -0.050) 1.967 17.971 ( -0.258 0.337 -2.109) 2.151 18.676 ( 2.213 -2.076 2.617) 4.007 18.792 ( -3.875 -0.506 -4.006) 5.597 22.871 ( -2.682 -0.355 -4.723) 5.443 22.917 ( -5.560 -0.388 4.641) 7.252 28.251 ( -1.192 0.181 2.206) 2.513 28.298 ( -1.925 -0.510 -0.865) 2.171 29.283 ( 0.592 0.349 -0.542) 0.876 29.566 ( -17.134 -4.162 -18.093) 25.264 30.426 ( 1.653 0.304 0.110) 1.684 30.668 ( -5.500 0.113 -0.356) 5.513 31.138 ( -5.020 0.279 0.099) 5.029 31.578 ( -0.069 2.596 6.798) 7.277 32.444 ( 6.801 27.320 7.443) 29.121 33.069 ( 5.922 -15.348 4.069) 16.947 34.069 ( 9.183 -5.161 -18.900) 21.637 34.497 ( -8.564 -1.442 9.103) 12.581 45.522 ( 5.049 0.045 -1.939) 5.409 45.919 ( 4.094 -0.123 2.835) 4.981 89.118 ( -6.395 -1.168 2.418) 6.936 89.606 ( -9.388 1.198 -5.651) 11.023 90.015 ( 14.284 5.004 11.104) 18.771 90.728 ( -0.746 -0.637 -25.614) 25.633 ======================= Grid point 25 (18/196) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 15.441 1.838 -0.541) 15.559 2.637 ( 8.344 -2.608 -3.016) 9.248 2.978 ( 7.157 8.860 -4.123) 12.113 3.214 ( 1.185 6.289 -9.480) 11.438 3.618 ( 4.535 1.126 10.380) 11.383 3.864 ( 5.740 7.296 -8.910) 12.867 3.949 ( -5.393 -0.192 1.369) 5.567 4.237 ( -0.581 1.735 5.311) 5.617 4.324 ( 1.301 2.367 7.716) 8.175 4.481 ( 3.653 -6.869 1.381) 7.902 5.133 ( 7.746 4.578 7.185) 11.515 5.487 ( 7.126 2.625 -7.743) 10.846 6.040 ( 1.449 -4.840 -3.810) 6.328 6.527 ( -0.537 -6.614 3.220) 7.376 6.794 ( -12.065 2.172 -2.112) 12.439 7.169 ( -1.791 -4.804 -4.915) 7.102 7.669 ( 0.873 1.874 -0.994) 2.293 7.832 ( -9.111 7.212 9.687) 15.128 8.519 ( -7.701 -0.217 -0.363) 7.713 8.657 ( 10.853 -1.523 -0.796) 10.988 9.700 ( 13.167 -3.938 6.160) 15.060 10.094 ( -1.714 8.486 -3.630) 9.388 10.419 ( -6.913 0.331 -4.287) 8.141 10.586 ( 4.900 -2.694 0.695) 5.635 11.659 ( -0.948 0.208 0.887) 1.315 11.816 ( -2.739 0.978 -0.519) 2.954 14.840 ( 4.776 0.464 -2.868) 5.590 15.254 ( 4.371 1.208 1.868) 4.904 17.215 ( -2.864 0.386 3.599) 4.616 17.513 ( -3.882 -2.923 -0.281) 4.868 17.800 ( 0.180 1.964 -0.957) 2.192 17.950 ( -0.802 0.131 -0.645) 1.037 18.668 ( -10.957 -1.062 -1.722) 11.142 18.707 ( -4.904 -2.890 1.626) 5.920 22.838 ( -0.066 -1.601 -1.936) 2.513 22.883 ( -3.676 -1.251 2.557) 4.650 28.229 ( -2.142 0.570 -0.432) 2.258 28.291 ( -0.908 -1.766 1.520) 2.501 29.195 ( -14.736 -4.203 -16.469) 22.496 29.376 ( 1.348 -2.896 1.014) 3.351 30.430 ( 1.069 0.783 -3.185) 3.450 30.596 ( -4.986 -1.106 1.117) 5.228 31.089 ( -1.286 0.184 0.719) 1.485 31.588 ( -0.322 2.566 6.027) 6.558 32.265 ( 7.102 24.199 5.030) 25.717 33.310 ( 6.872 -6.095 0.089) 9.186 34.150 ( 5.542 -8.457 -13.837) 17.137 34.439 ( -11.228 -0.939 10.606) 15.473 45.571 ( 4.070 0.976 -1.773) 4.546 46.001 ( 4.445 1.011 3.030) 5.473 89.052 ( -8.548 -2.293 3.600) 9.554 89.397 ( -10.876 0.774 -5.108) 12.041 90.116 ( 5.768 10.926 -0.245) 12.358 90.614 ( -2.026 -5.053 -6.150) 8.213 ======================= Grid point 26 (19/196) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -5.308 12.257 -8.329) 15.741 2.661 ( 9.154 2.404 1.618) 9.601 3.004 ( 3.990 11.668 -2.202) 12.527 3.085 ( 5.749 0.216 -11.893) 13.211 3.697 ( 1.551 4.793 5.496) 7.455 3.768 ( 2.927 8.408 -9.061) 12.703 3.884 ( -5.280 -2.593 4.568) 7.448 4.212 ( -3.131 4.215 4.459) 6.889 4.312 ( -2.035 3.808 2.495) 4.987 4.508 ( -4.990 0.464 2.676) 5.682 5.267 ( 11.623 9.343 -2.145) 15.067 5.502 ( 6.619 -2.503 -2.927) 7.658 6.010 ( -9.092 1.513 -0.063) 9.217 6.500 ( -11.178 5.816 -3.795) 13.160 6.702 ( -4.956 -12.661 10.544) 17.206 7.150 ( -3.642 -7.850 -4.665) 9.831 7.671 ( 5.544 5.708 2.020) 8.210 7.676 ( -2.999 7.343 3.828) 8.807 8.496 ( 0.702 -0.485 0.768) 1.148 8.819 ( 5.737 -3.777 1.083) 6.954 9.900 ( -3.430 8.240 -5.186) 10.322 10.008 ( 12.784 -3.156 5.511) 14.275 10.253 ( -9.581 2.375 -1.462) 9.979 10.657 ( -0.437 -2.768 -0.816) 2.918 11.674 ( 1.175 -0.655 1.405) 1.945 11.780 ( -1.216 -0.774 -0.378) 1.490 14.897 ( 6.830 1.824 -1.785) 7.291 15.334 ( 7.803 1.794 0.346) 8.014 17.200 ( -1.542 -0.223 1.647) 2.267 17.493 ( -4.605 -3.180 1.306) 5.747 17.774 ( 0.174 1.291 -0.634) 1.449 17.931 ( -1.246 0.526 0.564) 1.465 18.473 ( -15.447 -1.696 -0.835) 15.562 18.627 ( -11.878 -2.946 0.550) 12.250 22.876 ( -1.371 -2.469 3.407) 4.425 22.879 ( 1.860 -2.586 -2.517) 4.060 28.181 ( -2.498 0.156 -1.372) 2.855 28.329 ( 0.181 -2.549 2.256) 3.408 28.883 ( -18.494 -8.114 -19.507) 28.078 29.509 ( 7.482 -0.868 6.778) 10.133 30.397 ( -0.350 0.446 -4.151) 4.190 30.560 ( -3.990 -2.266 0.504) 4.616 31.105 ( 2.471 0.166 1.617) 2.958 31.590 ( -1.422 1.509 4.795) 5.224 32.113 ( 6.500 20.745 4.063) 22.116 33.457 ( 9.272 -1.064 -3.761) 10.062 34.233 ( 2.524 -9.286 -11.510) 15.003 34.339 ( -14.271 0.381 13.302) 19.513 45.588 ( 2.533 2.419 -1.338) 3.749 46.062 ( 4.013 2.821 2.647) 5.574 88.966 ( -11.021 -2.675 3.725) 11.937 89.201 ( -11.483 -1.167 -3.194) 11.976 89.958 ( -1.823 10.080 -7.651) 12.785 90.664 ( -0.497 -3.050 5.601) 6.397 ======================= Grid point 27 (20/196) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -10.941 18.263 -8.978) 23.105 2.646 ( -14.985 12.847 -0.149) 19.738 2.833 ( 10.786 10.195 -0.231) 14.844 3.127 ( 8.715 4.409 -7.989) 12.618 3.548 ( -3.663 14.845 -1.962) 15.416 3.665 ( -1.330 1.632 -4.873) 5.309 3.948 ( 1.282 -0.720 5.233) 5.435 4.090 ( -5.020 7.285 2.953) 9.327 4.244 ( -1.356 1.031 -5.005) 5.287 4.422 ( -5.641 2.659 3.563) 7.182 5.170 ( 4.465 15.421 -4.365) 16.637 5.530 ( -13.423 1.342 -4.027) 14.078 5.933 ( 5.675 -3.391 8.992) 11.161 6.266 ( -8.848 4.320 -2.646) 10.196 6.823 ( -3.045 -10.530 2.507) 11.244 7.301 ( 6.655 -7.876 7.488) 12.743 7.601 ( 4.946 6.029 -6.080) 9.888 7.688 ( 2.540 7.336 5.308) 9.405 8.526 ( 2.790 0.753 0.587) 2.949 8.926 ( 0.889 -2.963 1.815) 3.586 9.664 ( -9.892 5.427 -7.307) 13.443 10.071 ( -6.935 3.893 3.383) 8.643 10.265 ( 8.810 -2.730 4.376) 10.209 10.634 ( -5.701 -2.975 -2.577) 6.928 11.718 ( 1.088 -1.447 1.571) 2.397 11.796 ( 0.101 -2.981 -0.077) 2.983 14.963 ( 7.997 3.976 -1.049) 8.992 15.440 ( 9.389 1.945 -0.691) 9.614 17.199 ( -0.394 -0.698 0.263) 0.844 17.472 ( -5.310 -3.168 1.841) 6.452 17.769 ( 1.276 0.819 0.483) 1.591 17.908 ( -1.399 0.902 1.422) 2.189 18.259 ( -15.098 -2.047 -0.539) 15.245 18.443 ( -16.809 -2.521 -0.853) 17.019 22.894 ( -0.161 -2.303 -0.712) 2.416 22.964 ( 2.058 -3.990 1.704) 4.802 28.137 ( -2.752 -0.863 -1.024) 3.061 28.385 ( 0.771 -1.972 1.502) 2.596 28.576 ( -17.889 -9.227 -18.226) 27.155 29.700 ( 9.165 -0.170 8.495) 12.498 30.359 ( -0.447 -0.231 -3.631) 3.665 30.529 ( -4.688 -3.225 -1.410) 5.863 31.176 ( 5.350 0.556 2.307) 5.853 31.575 ( -3.442 -0.190 2.967) 4.548 31.982 ( 5.477 18.274 3.183) 19.340 33.581 ( 13.753 1.090 -8.236) 16.068 34.203 ( -15.794 1.946 16.322) 22.796 34.288 ( -1.550 -9.484 -9.010) 13.173 45.566 ( 1.024 3.826 -0.758) 4.032 46.084 ( 2.987 4.564 1.841) 5.757 88.851 ( -11.271 -2.272 2.578) 11.783 89.029 ( -13.408 -2.695 -0.885) 13.705 89.752 ( -2.033 8.562 -6.070) 10.691 90.723 ( -1.287 -0.817 6.751) 6.921 ======================= Grid point 28 (21/196) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -9.279 21.572 -6.434) 24.349 2.096 ( -20.313 24.485 -0.230) 31.815 2.863 ( 9.824 13.327 -1.589) 16.632 3.100 ( 4.680 15.642 -2.702) 16.549 3.252 ( -4.745 13.590 0.345) 14.398 3.589 ( -0.524 6.043 -0.096) 6.066 3.786 ( -6.980 10.435 -6.769) 14.263 4.092 ( 0.978 1.803 5.862) 6.211 4.167 ( -0.977 2.573 -1.867) 3.326 4.353 ( -3.277 -1.201 -1.974) 4.010 5.031 ( 4.346 11.005 -2.329) 12.059 5.234 ( -14.955 1.204 -0.469) 15.011 6.091 ( -6.077 2.942 0.059) 6.752 6.220 ( 11.058 -7.584 3.853) 13.952 6.967 ( 4.793 -6.715 2.043) 8.500 7.493 ( 1.017 7.432 6.419) 9.873 7.590 ( 10.294 2.329 -4.579) 11.504 7.673 ( -0.070 -3.975 2.552) 4.724 8.553 ( 2.892 3.020 -0.146) 4.184 8.948 ( -0.127 1.539 2.163) 2.657 9.358 ( -17.452 2.067 -6.729) 18.818 10.018 ( 1.077 2.055 4.979) 5.493 10.412 ( 2.962 -1.976 2.824) 4.545 10.534 ( -8.528 -2.326 -3.132) 9.378 11.763 ( 0.362 -2.166 1.164) 2.485 11.849 ( 0.435 -4.320 0.103) 4.343 15.007 ( 6.472 5.594 -0.596) 8.576 15.538 ( 6.846 1.718 -0.685) 7.091 17.206 ( -0.141 -0.809 0.006) 0.821 17.441 ( -5.613 -3.461 1.010) 6.671 17.806 ( 4.225 1.022 1.895) 4.742 17.896 ( 0.078 0.803 1.718) 1.897 18.080 ( -10.142 -0.684 -1.276) 10.245 18.200 ( -17.105 -1.942 -1.765) 17.305 22.917 ( 0.198 -2.164 -1.027) 2.403 23.051 ( 0.524 -4.031 1.961) 4.513 28.087 ( -6.016 -1.407 -2.223) 6.566 28.293 ( -8.694 -3.581 -10.571) 14.148 28.471 ( -1.067 -4.550 -0.527) 4.703 29.890 ( 7.586 0.638 7.614) 10.767 30.339 ( 0.647 -0.718 -3.711) 3.835 30.485 ( -5.523 -4.225 -1.646) 7.146 31.278 ( 7.018 1.006 2.591) 7.549 31.529 ( -5.921 -1.141 0.628) 6.063 31.846 ( 3.470 16.546 1.628) 16.984 33.727 ( 20.268 2.502 -16.184) 26.057 34.071 ( -19.977 0.160 25.885) 32.698 34.302 ( -2.193 -8.140 -9.458) 12.670 45.515 ( 0.070 4.682 -0.238) 4.689 46.063 ( 1.634 5.539 0.886) 5.843 88.737 ( -9.609 -1.735 2.114) 9.991 88.857 ( -11.179 -1.313 -0.614) 11.273 89.603 ( -0.198 7.264 -2.605) 7.719 90.745 ( -1.689 0.390 4.739) 5.047 ======================= Grid point 29 (22/196) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.000 23.532 -0.000) 23.532 1.554 ( -0.000 30.529 -0.000) 30.529 2.630 ( -0.000 42.444 -0.000) 42.444 2.785 ( -0.000 15.659 -0.000) 15.659 3.212 ( -0.000 1.852 -0.000) 1.852 3.397 ( -0.000 17.590 -0.000) 17.590 3.638 ( 0.000 -0.190 0.000) 0.190 4.061 ( -0.000 2.009 -0.000) 2.009 4.141 ( -0.000 3.618 -0.000) 3.618 4.294 ( -0.000 6.022 -0.000) 6.022 4.944 ( -0.000 6.835 -0.000) 6.835 5.171 ( 0.000 -9.049 0.000) 9.049 6.021 ( -0.000 0.561 -0.000) 0.561 6.437 ( 0.000 -8.661 0.000) 8.661 7.085 ( 0.000 -0.710 0.000) 0.710 7.324 ( -0.000 16.262 -0.000) 16.262 7.740 ( 0.000 -7.499 0.000) 7.499 7.775 ( 0.000 -7.908 0.000) 7.908 8.519 ( -0.000 5.176 -0.000) 5.176 8.959 ( -0.000 5.323 -0.000) 5.323 9.064 ( -0.000 2.232 -0.000) 2.232 10.062 ( -0.000 0.273 -0.000) 0.273 10.429 ( 0.000 -1.224 0.000) 1.224 10.485 ( 0.000 -1.841 0.000) 1.841 11.799 ( 0.000 -2.264 0.000) 2.264 11.912 ( 0.000 -4.745 0.000) 4.745 14.986 ( -0.000 5.619 -0.000) 5.619 15.572 ( -0.000 1.213 -0.000) 1.213 17.214 ( 0.000 -0.609 0.000) 0.609 17.439 ( 0.000 -4.078 0.000) 4.078 17.859 ( -0.000 2.178 -0.000) 2.178 17.919 ( -0.000 0.589 -0.000) 0.589 17.973 ( -0.000 1.339 -0.000) 1.339 18.033 ( 0.000 -1.586 0.000) 1.586 22.940 ( 0.000 -1.845 0.000) 1.845 23.107 ( 0.000 -3.297 0.000) 3.297 27.988 ( -0.000 0.928 -0.000) 0.928 28.247 ( 0.000 -3.480 0.000) 3.480 28.506 ( 0.000 -2.350 0.000) 2.350 29.972 ( -0.000 1.523 -0.000) 1.523 30.346 ( 0.000 -1.378 0.000) 1.378 30.483 ( 0.000 -4.685 0.000) 4.685 31.378 ( 0.000 -0.416 0.000) 0.416 31.432 ( -0.000 4.305 -0.000) 4.305 31.695 ( -0.000 11.178 -0.000) 11.178 33.796 ( -0.000 5.605 -0.000) 5.605 34.036 ( 0.000 -4.071 0.000) 4.071 34.330 ( 0.000 -7.161 0.000) 7.161 45.453 ( -0.000 4.674 -0.000) 4.674 46.008 ( -0.000 5.428 -0.000) 5.428 88.659 ( -0.000 0.020 -0.000) 0.020 88.774 ( 0.000 -0.057 0.000) 0.057 89.509 ( -0.000 6.323 -0.000) 6.323 90.739 ( -0.000 0.884 -0.000) 0.884 ======================= Grid point 34 (23/196) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 10.660 0.000 3.784) 11.312 2.525 ( 20.189 0.000 -7.660) 21.593 3.107 ( 0.818 0.000 -2.161) 2.311 3.299 ( -0.901 -0.000 -11.351) 11.387 3.639 ( 6.561 0.000 10.132) 12.071 3.944 ( -3.758 -0.000 1.689) 4.120 4.127 ( 4.097 0.000 -2.947) 5.046 4.156 ( 13.831 0.000 -5.267) 14.800 4.310 ( 0.464 0.000 6.634) 6.650 4.370 ( 3.474 0.000 7.881) 8.613 5.240 ( -5.727 -0.000 5.854) 8.190 5.506 ( 19.949 0.000 1.339) 19.993 5.954 ( -0.508 -0.000 -7.436) 7.453 6.433 ( -2.290 -0.000 1.710) 2.858 6.844 ( -0.014 -0.000 -7.645) 7.645 7.081 ( -12.577 -0.000 -1.879) 12.717 7.705 ( 3.941 0.000 0.946) 4.053 7.929 ( -6.774 -0.000 8.171) 10.613 8.505 ( -12.307 -0.000 0.149) 12.308 8.645 ( 10.274 0.000 -1.156) 10.338 9.648 ( 14.624 0.000 6.021) 15.815 10.234 ( -0.033 -0.000 -0.311) 0.313 10.399 ( -8.564 -0.000 -10.054) 13.207 10.548 ( 5.778 0.000 2.910) 6.469 11.663 ( -1.635 -0.000 0.898) 1.865 11.833 ( -3.504 -0.000 -0.644) 3.563 14.846 ( 5.484 0.000 -3.414) 6.460 15.271 ( 4.474 0.000 2.466) 5.109 17.223 ( -4.144 -0.000 5.611) 6.976 17.469 ( -2.971 -0.000 -1.714) 3.430 17.836 ( -0.451 -0.000 0.003) 0.451 17.944 ( -0.736 -0.000 -2.209) 2.328 18.654 ( -10.844 -0.000 -2.804) 11.201 18.664 ( -4.861 -0.000 2.795) 5.607 22.816 ( -0.200 -0.000 -3.195) 3.201 22.865 ( -4.759 -0.000 3.848) 6.121 28.249 ( -1.513 -0.000 2.181) 2.654 28.254 ( -2.304 -0.000 -0.970) 2.500 29.137 ( -17.662 -0.000 -18.809) 25.802 29.346 ( 5.369 0.000 3.672) 6.505 30.442 ( 1.145 0.000 -3.159) 3.360 30.581 ( -5.717 -0.000 0.829) 5.776 31.088 ( -1.321 -0.000 -0.572) 1.439 31.611 ( -2.264 -0.000 5.012) 5.499 32.760 ( -2.201 -0.000 9.143) 9.404 33.086 ( 13.862 0.000 -1.919) 13.994 34.029 ( 5.432 0.000 -12.407) 13.544 34.422 ( -8.856 -0.000 7.949) 11.900 45.584 ( 5.006 0.000 -2.128) 5.439 46.014 ( 5.180 0.000 3.546) 6.277 89.025 ( -8.100 -0.000 3.563) 8.849 89.406 ( -12.209 -0.000 -5.445) 13.368 90.332 ( 10.313 0.000 12.928) 16.538 90.483 ( -6.049 -0.000 -21.604) 22.435 ======================= Grid point 35 (24/196) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 4.181 -1.270 2.446) 5.008 2.714 ( 11.061 5.700 -8.331) 14.975 3.070 ( 3.684 -0.340 -8.638) 9.397 3.166 ( -5.089 1.312 -6.046) 8.010 3.772 ( 1.403 -0.782 9.803) 9.933 3.886 ( -1.996 3.677 -0.495) 4.213 4.044 ( 2.266 11.149 -2.845) 11.727 4.293 ( 2.684 1.526 2.001) 3.680 4.407 ( -1.706 -4.187 4.347) 6.272 4.434 ( 2.219 0.661 -0.794) 2.448 5.262 ( 5.197 -3.166 3.221) 6.885 5.674 ( 10.032 9.865 -3.620) 14.528 5.971 ( 0.508 -4.705 -1.594) 4.994 6.428 ( -10.890 -5.983 9.141) 15.426 6.699 ( -5.305 8.315 -4.491) 10.838 6.927 ( -6.093 -9.015 -5.871) 12.364 7.788 ( 6.965 2.876 2.207) 7.852 7.821 ( -8.054 3.141 5.326) 10.153 8.459 ( 1.957 -1.430 -0.301) 2.442 8.765 ( 5.716 -0.865 1.620) 6.004 9.938 ( 14.960 -1.116 5.845) 16.100 10.118 ( -6.211 7.007 -6.457) 11.374 10.258 ( -6.307 -2.323 -1.502) 6.887 10.600 ( -0.957 -1.318 -0.731) 1.785 11.664 ( 0.404 -0.198 1.370) 1.442 11.777 ( -2.790 0.180 -0.681) 2.877 14.929 ( 8.835 0.640 -2.260) 9.142 15.372 ( 7.790 0.908 1.254) 7.942 17.201 ( -3.475 0.197 4.599) 5.768 17.428 ( -2.778 -1.551 -0.746) 3.268 17.815 ( -0.390 1.500 -0.257) 1.571 17.926 ( -0.841 -0.656 -0.868) 1.375 18.435 ( -16.189 -0.949 -2.107) 16.353 18.569 ( -11.362 -1.329 2.106) 11.632 22.821 ( 1.896 -1.236 -1.380) 2.651 22.838 ( -2.580 -0.891 2.216) 3.516 28.199 ( -2.662 1.234 -0.654) 3.005 28.260 ( -1.271 -2.432 1.523) 3.139 28.762 ( -16.168 -1.995 -17.684) 24.044 29.493 ( 8.649 -0.346 6.316) 10.716 30.406 ( -2.334 0.180 -2.815) 3.661 30.522 ( -3.167 -0.681 -0.739) 3.322 31.095 ( 2.469 -0.431 -0.329) 2.527 31.598 ( -3.748 -0.096 3.973) 5.463 32.654 ( 1.433 17.547 5.224) 18.364 33.332 ( 9.652 -8.026 -1.816) 12.684 34.041 ( 2.406 -4.184 -8.372) 9.664 34.343 ( -9.498 -0.057 7.576) 12.150 45.632 ( 4.006 0.934 -1.904) 4.532 46.113 ( 5.074 1.042 3.443) 6.219 88.926 ( -9.711 -0.690 4.329) 10.655 89.182 ( -12.517 -0.343 -4.510) 13.309 90.193 ( -5.339 6.780 -13.505) 16.027 90.570 ( 4.174 -3.589 8.727) 10.318 ======================= Grid point 36 (25/196) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -5.599 15.978 -7.092) 18.356 2.702 ( -3.122 -1.438 0.442) 3.466 3.043 ( -3.102 2.200 -2.055) 4.323 3.176 ( 12.172 -2.188 -9.393) 15.530 3.727 ( -8.359 4.658 -0.950) 9.616 3.876 ( -3.691 8.527 -0.536) 9.308 3.902 ( 5.336 1.748 6.599) 8.665 4.289 ( -0.871 3.105 1.576) 3.589 4.381 ( 1.811 5.609 -1.888) 6.189 4.419 ( -1.529 1.864 -0.709) 2.513 5.473 ( 5.179 -5.723 -1.793) 7.924 5.558 ( -0.577 13.505 -0.628) 13.532 5.911 ( -8.041 1.651 4.898) 9.559 6.382 ( -6.209 1.325 -1.104) 6.444 6.554 ( -3.711 -6.334 -0.825) 7.387 7.065 ( 7.170 -9.082 4.146) 12.292 7.726 ( -2.290 3.475 1.364) 4.380 7.861 ( 6.892 5.206 1.053) 8.701 8.524 ( 4.690 -0.562 -0.502) 4.750 8.878 ( 5.298 -1.068 3.432) 6.402 9.818 ( -12.911 5.590 -8.586) 16.482 10.157 ( -4.756 2.457 4.559) 7.031 10.217 ( 8.798 -1.051 4.395) 9.890 10.562 ( -4.278 -2.472 -4.191) 6.479 11.690 ( 0.511 -0.776 1.401) 1.681 11.744 ( -1.514 -1.070 -0.502) 1.921 15.048 ( 10.638 2.420 -1.173) 10.973 15.491 ( 9.348 1.743 -0.013) 9.509 17.187 ( -1.927 -0.187 2.720) 3.339 17.408 ( -2.929 -1.776 0.368) 3.445 17.799 ( 1.346 1.480 0.149) 2.006 17.914 ( -1.799 -0.399 0.407) 1.887 18.194 ( -15.830 -2.556 -1.660) 16.121 18.394 ( -15.452 -1.350 0.765) 15.530 22.841 ( -0.854 -1.653 0.781) 2.018 22.876 ( 2.506 -2.656 -0.076) 3.652 28.136 ( -3.199 0.812 -0.706) 3.375 28.298 ( -0.777 -4.111 1.050) 4.313 28.451 ( -12.443 -1.865 -14.532) 19.223 29.692 ( 10.205 -0.388 7.154) 12.469 30.350 ( -3.846 -0.528 0.728) 3.950 30.472 ( -2.670 -1.107 -4.928) 5.713 31.164 ( 5.414 -0.863 0.133) 5.484 31.560 ( -5.296 -0.616 2.864) 6.052 32.484 ( 2.975 18.964 3.711) 19.552 33.533 ( 9.145 -5.225 -3.619) 11.137 34.071 ( -1.313 -6.189 -5.098) 8.125 34.248 ( -9.314 1.219 7.158) 11.810 45.648 ( 2.473 2.375 -1.335) 3.680 46.180 ( 3.894 2.722 2.593) 5.412 88.816 ( -9.798 -0.637 3.743) 10.508 88.986 ( -11.160 -0.956 -2.867) 11.562 89.952 ( -3.969 6.392 -9.253) 11.925 90.699 ( 1.578 -1.041 6.983) 7.234 ======================= Grid point 37 (26/196) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -6.247 20.615 -4.547) 22.016 2.534 ( -13.001 8.155 -0.015) 15.347 3.017 ( 2.193 0.779 0.518) 2.384 3.255 ( 7.807 5.015 -6.509) 11.334 3.573 ( -5.326 -2.015 -1.722) 5.949 3.688 ( -1.253 13.904 -1.470) 14.038 4.047 ( 4.564 -3.977 6.390) 8.802 4.227 ( -1.332 4.421 0.425) 4.637 4.300 ( 6.944 13.999 -6.767) 17.029 4.347 ( -3.196 4.913 1.548) 6.062 5.175 ( -19.918 6.031 2.033) 20.910 5.533 ( 4.637 13.331 -3.795) 14.616 5.987 ( 3.967 -8.783 5.689) 11.191 6.218 ( -4.591 6.006 -1.791) 7.768 6.701 ( 3.913 -12.384 -0.446) 12.995 7.338 ( 5.576 -9.743 6.638) 13.041 7.670 ( 0.233 2.582 -1.962) 3.251 7.847 ( 1.942 8.786 0.637) 9.020 8.598 ( 5.267 0.833 -0.470) 5.353 8.994 ( 6.818 1.747 4.563) 8.388 9.466 ( -16.024 5.169 -8.106) 18.687 10.075 ( -3.957 2.113 5.192) 6.862 10.374 ( 5.085 -0.962 2.384) 5.698 10.485 ( -4.871 -1.515 -4.217) 6.618 11.714 ( -0.209 -1.509 0.823) 1.731 11.756 ( -0.237 -2.841 -0.070) 2.851 15.143 ( 7.948 4.604 -0.460) 9.196 15.590 ( 6.804 2.152 -0.463) 7.151 17.187 ( -0.726 -0.596 1.093) 1.441 17.381 ( -3.544 -1.207 0.428) 3.768 17.833 ( 5.042 1.089 1.161) 5.288 17.887 ( -3.344 -1.466 0.713) 3.720 18.039 ( -7.434 -2.215 -1.053) 7.828 18.170 ( -15.418 -0.610 -0.756) 15.449 22.861 ( -0.084 -2.049 -0.145) 2.056 22.950 ( 1.454 -3.623 0.567) 3.944 28.071 ( -4.321 0.013 -1.196) 4.484 28.226 ( -6.295 -1.559 -8.700) 10.851 28.368 ( 0.428 -3.826 0.936) 3.962 29.894 ( 8.990 -0.237 5.938) 10.777 30.322 ( -3.635 -0.961 4.137) 5.591 30.399 ( -2.869 -2.035 -8.182) 8.906 31.271 ( 6.696 -0.947 0.356) 6.772 31.499 ( -6.335 -1.073 1.478) 6.593 32.310 ( 2.577 18.496 2.202) 18.804 33.707 ( 11.395 -4.344 -6.072) 13.623 34.055 ( -10.511 -3.188 5.318) 12.203 34.165 ( -2.864 -0.343 -0.031) 2.885 45.627 ( 0.966 3.788 -0.609) 3.956 46.194 ( 2.036 4.350 1.304) 4.977 88.716 ( -6.940 -0.219 2.224) 7.291 88.836 ( -7.494 -0.477 -1.482) 7.655 89.782 ( -1.420 6.240 -4.244) 7.679 90.755 ( 0.180 0.280 3.838) 3.852 ======================= Grid point 38 (27/196) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -0.000 22.619 -0.000) 22.619 2.224 ( -0.000 20.002 -0.000) 20.002 3.028 ( -0.000 3.335 -0.000) 3.335 3.234 ( -0.000 2.073 -0.000) 2.073 3.444 ( -0.000 21.494 -0.000) 21.494 3.580 ( 0.000 -4.084 0.000) 4.084 4.031 ( -0.000 30.110 -0.000) 30.110 4.157 ( -0.000 4.769 -0.000) 4.769 4.212 ( 0.000 -7.421 0.000) 7.421 4.252 ( -0.000 2.795 -0.000) 2.795 5.004 ( 0.000 -2.824 0.000) 2.824 5.336 ( -0.000 18.479 -0.000) 18.479 6.099 ( -0.000 5.159 -0.000) 5.159 6.184 ( 0.000 -10.908 0.000) 10.908 6.907 ( 0.000 -12.133 0.000) 12.133 7.526 ( 0.000 -8.414 0.000) 8.414 7.651 ( -0.000 0.004 -0.000) 0.004 7.722 ( -0.000 11.560 -0.000) 11.560 8.620 ( -0.000 2.500 -0.000) 2.500 9.103 ( -0.000 5.654 -0.000) 5.654 9.145 ( -0.000 3.971 -0.000) 3.971 10.067 ( -0.000 0.051 -0.000) 0.051 10.411 ( 0.000 -0.218 0.000) 0.218 10.445 ( 0.000 -1.061 0.000) 1.061 11.740 ( 0.000 -2.194 0.000) 2.194 11.799 ( 0.000 -3.893 0.000) 3.893 15.137 ( -0.000 5.801 -0.000) 5.801 15.615 ( -0.000 2.072 -0.000) 2.072 17.195 ( 0.000 -0.776 0.000) 0.776 17.364 ( 0.000 -1.640 0.000) 1.640 17.891 ( 0.000 -2.314 0.000) 2.314 17.920 ( -0.000 2.090 -0.000) 2.090 17.983 ( 0.000 -1.068 0.000) 1.068 18.002 ( 0.000 -0.360 0.000) 0.360 22.887 ( 0.000 -2.189 0.000) 2.189 23.012 ( 0.000 -3.921 0.000) 3.921 28.010 ( -0.000 0.786 -0.000) 0.786 28.174 ( 0.000 -1.883 0.000) 1.883 28.427 ( 0.000 -3.765 0.000) 3.765 30.000 ( -0.000 0.488 -0.000) 0.488 30.321 ( 0.000 -0.442 0.000) 0.442 30.369 ( 0.000 -4.089 0.000) 4.089 31.362 ( 0.000 -0.902 0.000) 0.902 31.445 ( 0.000 -1.024 0.000) 1.024 32.106 ( -0.000 18.214 -0.000) 18.214 33.892 ( 0.000 -7.196 0.000) 7.196 33.935 ( -0.000 4.440 -0.000) 4.440 34.174 ( 0.000 -4.163 0.000) 4.163 45.576 ( -0.000 4.666 -0.000) 4.666 46.151 ( -0.000 5.351 -0.000) 5.351 88.664 ( -0.000 0.341 -0.000) 0.341 88.773 ( -0.000 0.016 -0.000) 0.016 89.678 ( -0.000 6.468 -0.000) 6.468 90.761 ( -0.000 0.809 -0.000) 0.809 ======================= Grid point 45 (28/196) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -4.763 -0.000 1.890) 5.124 2.934 ( -3.137 -0.000 -14.051) 14.397 2.936 ( 13.314 0.000 -7.107) 15.092 3.078 ( -6.262 -0.000 3.013) 6.949 3.768 ( -2.862 -0.000 3.679) 4.661 3.981 ( 6.313 0.000 0.237) 6.318 4.041 ( -11.090 -0.000 1.667) 11.215 4.293 ( -9.571 -0.000 4.065) 10.399 4.326 ( -0.905 -0.000 -0.735) 1.166 4.579 ( 15.699 0.000 -6.306) 16.918 5.363 ( 10.501 0.000 0.341) 10.507 5.765 ( -14.253 -0.000 3.329) 14.636 5.949 ( 2.410 0.000 1.470) 2.823 6.285 ( -1.956 -0.000 1.228) 2.310 6.579 ( -11.184 -0.000 -5.867) 12.630 6.916 ( 10.175 0.000 4.037) 10.947 7.772 ( -4.521 -0.000 2.349) 5.095 7.931 ( 7.278 0.000 0.694) 7.311 8.514 ( 6.324 0.000 -0.808) 6.376 8.864 ( 6.351 0.000 4.139) 7.581 9.899 ( -14.972 -0.000 -8.929) 17.432 10.197 ( 11.650 0.000 4.672) 12.552 10.197 ( -5.793 -0.000 4.809) 7.529 10.526 ( -3.575 -0.000 -4.819) 6.000 11.680 ( 0.346 0.000 1.275) 1.321 11.733 ( -2.396 -0.000 -0.686) 2.492 15.079 ( 11.652 0.000 -1.160) 11.710 15.515 ( 9.296 0.000 0.327) 9.301 17.186 ( -2.941 -0.000 4.164) 5.098 17.385 ( -1.118 -0.000 -0.682) 1.309 17.827 ( 0.974 0.000 0.161) 0.988 17.902 ( -1.652 -0.000 -0.073) 1.653 18.156 ( -16.491 -0.000 -2.485) 16.677 18.376 ( -14.882 -0.000 1.786) 14.988 22.818 ( -1.123 -0.000 1.445) 1.830 22.840 ( 2.632 0.000 -0.751) 2.737 28.162 ( -3.509 -0.000 -0.990) 3.646 28.228 ( -1.273 -0.000 1.088) 1.675 28.431 ( -10.803 -0.000 -13.240) 17.088 29.686 ( 10.516 0.000 6.596) 12.414 30.341 ( -5.654 -0.000 2.689) 6.261 30.462 ( -1.410 -0.000 -6.469) 6.621 31.150 ( 5.598 0.000 -0.502) 5.620 31.551 ( -5.608 -0.000 2.944) 6.334 32.793 ( -1.351 -0.000 3.186) 3.460 33.402 ( 8.752 0.000 -1.916) 8.959 33.994 ( 0.898 0.000 -4.784) 4.868 34.264 ( -7.454 -0.000 5.356) 9.179 45.680 ( 3.014 0.000 -1.547) 3.388 46.216 ( 4.255 0.000 2.879) 5.138 88.809 ( -9.293 -0.000 4.089) 10.153 88.974 ( -10.577 -0.000 -3.370) 11.101 90.041 ( -5.555 -0.000 -11.294) 12.586 90.682 ( 3.077 0.000 8.109) 8.673 ======================= Grid point 47 (29/196) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -7.692 3.991 0.698) 8.693 2.694 ( -2.281 12.011 -5.858) 13.557 2.995 ( -2.291 -0.337 0.509) 2.371 3.163 ( 4.032 -11.284 -3.903) 12.602 3.728 ( -0.042 9.357 -3.277) 9.914 3.867 ( -4.499 1.434 2.076) 5.158 4.045 ( 3.594 3.320 1.792) 5.211 4.190 ( -11.854 -6.827 2.836) 13.971 4.308 ( 0.170 1.617 -0.783) 1.804 4.742 ( 20.337 9.604 -6.287) 23.352 5.369 ( -21.255 8.327 3.475) 23.091 5.602 ( 3.054 -7.813 0.957) 8.443 5.956 ( 1.930 5.837 2.505) 6.638 6.351 ( -1.030 1.308 0.491) 1.735 6.426 ( -0.113 -5.557 -4.798) 7.343 7.131 ( 7.312 -5.214 5.480) 10.520 7.716 ( -2.866 0.938 -0.586) 3.072 8.002 ( 4.023 3.085 0.103) 5.071 8.610 ( 6.410 0.213 -0.590) 6.441 9.025 ( 10.530 0.583 5.757) 12.015 9.573 ( -17.173 2.484 -8.128) 19.161 10.115 ( -7.868 0.815 4.897) 9.303 10.361 ( 6.129 -0.122 2.627) 6.669 10.457 ( -1.241 -0.582 -4.824) 5.015 11.690 ( -0.390 -0.384 0.635) 0.838 11.706 ( -1.121 -1.051 -0.312) 1.567 15.227 ( 8.969 1.758 -0.342) 9.146 15.634 ( 6.735 1.057 -0.190) 6.820 17.177 ( -1.455 -0.183 2.198) 2.642 17.371 ( -0.742 0.096 -0.211) 0.778 17.841 ( -7.675 -1.348 0.471) 7.807 17.862 ( 4.650 0.896 0.101) 4.737 17.984 ( -4.369 -1.641 -1.570) 4.924 18.163 ( -14.540 -0.064 0.793) 14.562 22.822 ( -0.250 -0.844 0.516) 1.020 22.881 ( 1.737 -1.515 -0.144) 2.309 28.080 ( -4.433 0.449 -2.159) 4.952 28.213 ( -2.588 0.462 -3.007) 3.994 28.280 ( -1.680 -2.740 -2.315) 3.961 29.886 ( 9.655 -0.282 4.512) 10.661 30.290 ( -7.266 -0.925 8.638) 11.325 30.381 ( -0.166 0.021 -11.390) 11.391 31.248 ( 7.074 -0.584 -0.544) 7.119 31.479 ( -6.722 -0.452 1.935) 7.010 32.717 ( -0.006 11.045 1.584) 11.158 33.540 ( 5.073 -6.459 -1.714) 8.390 33.983 ( -0.520 -1.400 -2.169) 2.634 34.198 ( -4.666 1.156 3.277) 5.818 45.696 ( 1.500 1.447 -0.825) 2.241 46.272 ( 2.349 1.640 1.577) 3.270 88.716 ( -6.025 0.075 2.410) 6.490 88.829 ( -6.227 -0.133 -1.736) 6.465 89.899 ( -2.575 2.520 -5.619) 6.675 90.758 ( 1.077 0.031 4.152) 4.290 ======================= Grid point 48 (30/196) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -0.000 17.324 -0.000) 17.324 2.530 ( -0.000 6.746 -0.000) 6.746 3.001 ( 0.000 -2.567 0.000) 2.567 3.303 ( 0.000 -6.322 0.000) 6.322 3.553 ( -0.000 9.573 -0.000) 9.573 3.822 ( -0.000 7.501 -0.000) 7.501 4.066 ( 0.000 -1.523 0.000) 1.523 4.193 ( 0.000 -6.594 0.000) 6.594 4.274 ( -0.000 3.258 -0.000) 3.258 4.752 ( -0.000 24.012 -0.000) 24.012 5.025 ( -0.000 2.842 -0.000) 2.842 5.696 ( -0.000 3.924 -0.000) 3.924 5.943 ( 0.000 -2.844 0.000) 2.844 6.255 ( -0.000 6.112 -0.000) 6.112 6.571 ( 0.000 -12.412 0.000) 12.412 7.298 ( 0.000 -7.903 0.000) 7.903 7.674 ( -0.000 1.047 -0.000) 1.047 7.968 ( -0.000 6.699 -0.000) 6.699 8.657 ( -0.000 0.730 -0.000) 0.730 9.227 ( -0.000 3.628 -0.000) 3.628 9.242 ( -0.000 3.080 -0.000) 3.080 10.065 ( 0.000 -0.106 0.000) 0.106 10.413 ( -0.000 0.255 -0.000) 0.255 10.433 ( 0.000 -0.060 0.000) 0.060 11.696 ( 0.000 -1.117 0.000) 1.117 11.720 ( 0.000 -2.186 0.000) 2.186 15.262 ( -0.000 3.672 -0.000) 3.672 15.668 ( -0.000 1.838 -0.000) 1.838 17.179 ( 0.000 -0.430 0.000) 0.430 17.355 ( -0.000 0.633 -0.000) 0.633 17.806 ( 0.000 -3.612 0.000) 3.612 17.955 ( 0.000 -0.701 0.000) 0.701 17.969 ( -0.000 1.459 -0.000) 1.459 17.987 ( 0.000 -0.891 0.000) 0.891 22.837 ( 0.000 -1.507 0.000) 1.507 22.922 ( 0.000 -2.794 0.000) 2.794 28.026 ( -0.000 0.420 -0.000) 0.420 28.161 ( -0.000 0.936 -0.000) 0.936 28.321 ( 0.000 -4.326 0.000) 4.326 29.998 ( 0.000 -0.402 0.000) 0.402 30.283 ( 0.000 -2.454 0.000) 2.454 30.323 ( -0.000 0.458 -0.000) 0.458 31.336 ( 0.000 -0.953 0.000) 0.953 31.418 ( 0.000 -0.868 0.000) 0.868 32.554 ( -0.000 15.583 -0.000) 15.583 33.678 ( 0.000 -8.984 0.000) 8.984 33.979 ( 0.000 -0.520 0.000) 0.520 34.153 ( -0.000 1.676 -0.000) 1.676 45.676 ( -0.000 2.879 -0.000) 2.879 46.264 ( -0.000 3.268 -0.000) 3.268 88.674 ( -0.000 0.378 -0.000) 0.378 88.774 ( -0.000 0.048 -0.000) 0.048 89.818 ( -0.000 4.120 -0.000) 4.120 90.777 ( -0.000 0.426 -0.000) 0.426 ======================= Grid point 58 (31/196) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 0.000 -0.000 0.000) 0.000 2.754 ( 0.000 -0.000 0.000) 0.000 3.005 ( 0.000 -0.000 0.000) 0.000 3.050 ( 0.000 -0.000 0.000) 0.000 3.822 ( -0.000 0.000 -0.000) 0.000 3.866 ( 0.000 -0.000 0.000) 0.000 4.001 ( 0.000 -0.000 0.000) 0.000 4.102 ( 0.000 -0.000 0.000) 0.000 4.319 ( 0.000 -0.000 0.000) 0.000 5.071 ( 0.000 -0.000 0.000) 0.000 5.137 ( -0.000 0.000 -0.000) 0.000 5.575 ( 0.000 -0.000 0.000) 0.000 6.033 ( 0.000 -0.000 0.000) 0.000 6.348 ( 0.000 -0.000 0.000) 0.000 6.372 ( 0.000 -0.000 0.000) 0.000 7.183 ( 0.000 -0.000 0.000) 0.000 7.689 ( 0.000 -0.000 0.000) 0.000 8.054 ( 0.000 -0.000 0.000) 0.000 8.666 ( 0.000 -0.000 0.000) 0.000 9.275 ( 0.000 -0.000 0.000) 0.000 9.284 ( 0.000 -0.000 0.000) 0.000 10.064 ( 0.000 -0.000 0.000) 0.000 10.418 ( 0.000 -0.000 0.000) 0.000 10.433 ( 0.000 -0.000 0.000) 0.000 11.686 ( -0.000 0.000 -0.000) 0.000 11.688 ( 0.000 -0.000 0.000) 0.000 15.311 ( 0.000 -0.000 0.000) 0.000 15.694 ( 0.000 -0.000 0.000) 0.000 17.173 ( 0.000 -0.000 0.000) 0.000 17.370 ( 0.000 -0.000 0.000) 0.000 17.750 ( 0.000 -0.000 0.000) 0.000 17.949 ( 0.000 -0.000 0.000) 0.000 17.970 ( 0.000 -0.000 0.000) 0.000 17.989 ( 0.000 -0.000 0.000) 0.000 22.817 ( 0.000 -0.000 0.000) 0.000 22.884 ( 0.000 -0.000 0.000) 0.000 28.031 ( 0.000 -0.000 0.000) 0.000 28.216 ( 0.000 -0.000 0.000) 0.000 28.222 ( -0.000 0.000 -0.000) 0.000 29.991 ( 0.000 -0.000 0.000) 0.000 30.251 ( 0.000 -0.000 0.000) 0.000 30.331 ( 0.000 -0.000 0.000) 0.000 31.322 ( 0.000 -0.000 0.000) 0.000 31.406 ( 0.000 -0.000 0.000) 0.000 32.793 ( 0.000 -0.000 0.000) 0.000 33.525 ( 0.000 -0.000 0.000) 0.000 33.967 ( 0.000 -0.000 0.000) 0.000 34.183 ( 0.000 -0.000 0.000) 0.000 45.714 ( 0.000 -0.000 0.000) 0.000 46.307 ( 0.000 -0.000 0.000) 0.000 88.679 ( 0.000 -0.000 0.000) 0.000 88.775 ( 0.000 -0.000 0.000) 0.000 89.873 ( 0.000 -0.000 0.000) 0.000 90.783 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/196) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -2.175 -0.000 24.952) 25.046 0.640 ( -13.582 -0.000 29.560) 32.531 1.071 ( -15.572 -0.000 48.978) 51.394 2.059 ( -3.403 -0.000 6.378) 7.229 3.003 ( -0.345 -0.000 0.115) 0.363 3.068 ( -1.973 -0.000 -10.337) 10.524 3.636 ( 10.508 0.000 -4.626) 11.481 3.677 ( 0.753 0.000 7.906) 7.942 4.174 ( -1.282 -0.000 6.146) 6.278 4.781 ( 43.879 0.000 -1.992) 43.924 4.921 ( 7.763 0.000 -13.216) 15.327 5.272 ( 10.905 0.000 -10.167) 14.909 5.677 ( -11.514 -0.000 7.030) 13.490 6.652 ( -6.633 -0.000 6.069) 8.990 6.777 ( -1.902 -0.000 -11.902) 12.053 7.317 ( 4.506 0.000 4.102) 6.093 7.401 ( -0.079 -0.000 3.756) 3.757 7.990 ( 15.735 0.000 -4.458) 16.354 8.314 ( -2.575 -0.000 0.271) 2.589 8.854 ( -4.636 -0.000 4.305) 6.326 8.982 ( 5.787 0.000 -2.161) 6.177 9.852 ( -4.197 -0.000 -3.679) 5.581 10.558 ( 3.743 0.000 0.969) 3.867 10.776 ( -34.923 -0.000 -1.602) 34.960 11.875 ( -0.189 -0.000 0.939) 0.958 12.051 ( 0.305 0.000 -1.088) 1.130 14.856 ( -1.364 -0.000 3.089) 3.377 15.496 ( 1.933 0.000 -2.882) 3.470 17.538 ( -10.748 -0.000 0.687) 10.770 17.638 ( -1.192 -0.000 -0.472) 1.283 17.770 ( -19.327 -0.000 -2.720) 19.517 17.789 ( -4.551 -0.000 -0.232) 4.557 17.822 ( 6.388 0.000 0.576) 6.414 17.949 ( 6.088 0.000 1.761) 6.337 23.013 ( 2.387 0.000 2.206) 3.250 23.499 ( -47.059 -0.000 -2.736) 47.138 28.320 ( -0.118 -0.000 0.137) 0.180 28.365 ( -0.057 -0.000 -0.439) 0.443 28.939 ( 138.200 0.000 3.565) 138.246 29.864 ( -11.537 -0.000 -5.299) 12.696 30.378 ( 11.632 0.000 0.319) 11.636 30.770 ( -3.179 -0.000 7.372) 8.028 31.005 ( -8.733 -0.000 -2.207) 9.007 31.555 ( 16.229 0.000 -1.668) 16.315 31.570 ( 5.989 0.000 -1.833) 6.263 31.979 ( 0.252 0.000 -3.728) 3.736 34.632 ( 1.973 0.000 5.549) 5.889 35.485 ( -69.315 -0.000 -3.119) 69.385 45.342 ( -1.720 -0.000 2.481) 3.019 45.744 ( 1.030 0.000 -1.614) 1.915 88.773 ( 3.134 0.000 -0.316) 3.150 88.793 ( -64.698 -0.000 -0.580) 64.700 89.357 ( -2.048 -0.000 3.081) 3.700 89.983 ( 0.345 0.000 -3.323) 3.340 ======================= Grid point 106 (33/196) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 14.193 -18.427 16.764) 28.671 1.131 ( 21.935 -8.065 21.753) 31.928 1.490 ( 18.939 -16.570 31.423) 40.258 2.252 ( 10.632 -9.427 5.708) 15.313 2.927 ( 0.320 3.749 -4.485) 5.854 3.137 ( 6.756 -10.570 -3.434) 13.006 3.773 ( 2.843 -0.949 8.283) 8.809 3.791 ( 9.797 -3.166 -4.682) 11.311 4.234 ( -0.232 -3.610 9.031) 9.729 4.771 ( 4.509 19.452 1.616) 20.033 4.845 ( -3.766 3.253 -10.275) 11.417 5.528 ( 14.017 -5.340 -12.239) 19.360 5.684 ( -8.635 -12.762 1.447) 15.477 6.448 ( -11.198 9.208 2.206) 14.664 6.663 ( -2.723 -6.868 -5.737) 9.354 7.018 ( -16.368 0.357 13.728) 21.366 7.474 ( -7.820 -6.944 3.378) 10.990 7.996 ( -3.511 4.318 -2.395) 6.058 8.324 ( 0.856 -2.628 -0.409) 2.794 8.951 ( 12.343 0.363 0.486) 12.357 9.604 ( 31.986 8.862 -12.430) 35.442 9.768 ( 9.677 -3.213 -14.285) 17.551 10.458 ( -9.931 1.233 2.152) 10.236 10.667 ( 7.705 0.576 1.578) 7.886 11.854 ( -1.567 1.866 0.939) 2.612 12.027 ( -0.813 1.716 -1.241) 2.268 14.845 ( -4.410 -1.395 3.171) 5.608 15.462 ( -4.029 -0.646 -2.593) 4.834 17.311 ( -4.755 1.525 4.455) 6.692 17.616 ( -0.088 0.334 -1.143) 1.194 17.731 ( -2.562 -0.733 1.169) 2.910 17.790 ( 7.265 4.384 -5.888) 10.328 18.046 ( 10.742 -5.267 1.010) 12.007 18.199 ( 23.041 -1.428 -7.916) 24.405 23.062 ( 1.089 0.703 4.484) 4.668 23.142 ( -9.065 1.176 0.637) 9.163 28.290 ( 0.100 2.945 0.760) 3.044 28.376 ( -0.550 -1.589 -0.805) 1.864 29.625 ( -11.097 -0.379 -11.971) 16.328 30.075 ( 57.794 35.707 -13.837) 69.330 30.500 ( 2.369 0.744 6.361) 6.829 30.777 ( 1.676 4.482 4.517) 6.580 30.918 ( 1.691 3.833 -4.243) 5.963 31.522 ( -2.297 0.285 -3.827) 4.473 31.657 ( 11.252 12.977 3.173) 17.467 32.547 ( 34.261 -38.634 -36.449) 63.206 34.387 ( -47.878 13.687 27.191) 56.737 34.766 ( -9.449 -5.126 12.135) 16.211 45.353 ( -0.354 -1.522 2.211) 2.708 45.773 ( 1.035 -3.149 -1.985) 3.864 88.883 ( 14.285 2.264 0.447) 14.470 88.965 ( 45.850 7.650 -19.194) 50.291 89.378 ( 0.231 -2.183 3.211) 3.890 90.085 ( 3.259 -16.174 -12.543) 20.725 ======================= Grid point 107 (34/196) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 15.680 -19.402 8.707) 26.422 1.614 ( 11.411 -9.423 18.996) 24.080 2.297 ( 25.695 -12.041 10.952) 30.416 2.593 ( 16.704 -11.133 7.507) 21.432 2.926 ( 3.690 -2.639 -0.496) 4.564 3.417 ( 12.858 -11.132 -5.762) 17.957 3.899 ( 5.306 -3.007 0.431) 6.114 3.905 ( 5.437 -1.391 2.184) 6.022 4.355 ( -2.862 -2.110 6.857) 7.724 4.650 ( -3.521 8.050 3.999) 9.653 4.675 ( -2.277 -2.031 -1.949) 3.620 5.607 ( 0.788 -4.241 -18.656) 19.149 5.721 ( 3.484 2.601 10.755) 11.601 6.376 ( 9.887 3.107 2.611) 10.688 6.697 ( 0.121 -9.639 -12.011) 15.401 6.975 ( -5.450 -4.015 9.404) 11.587 7.444 ( -4.761 -0.905 0.780) 4.908 7.868 ( -3.060 4.983 1.061) 5.943 8.358 ( -0.841 -2.362 -1.116) 2.745 9.107 ( 10.363 3.352 -2.878) 11.265 9.559 ( -4.407 -1.296 -4.128) 6.176 9.967 ( 18.284 3.937 -7.627) 20.199 10.345 ( -5.602 1.785 -1.552) 6.081 10.752 ( 3.736 1.379 -0.408) 4.003 11.804 ( -2.038 2.388 0.617) 3.199 11.970 ( -1.444 2.992 -1.253) 3.551 14.819 ( -4.399 -1.989 2.220) 5.313 15.372 ( -6.379 -0.650 -1.721) 6.639 17.293 ( -0.104 2.011 2.290) 3.049 17.613 ( 1.231 0.604 -0.908) 1.645 17.729 ( -0.586 -0.534 1.172) 1.415 17.805 ( 6.379 2.354 -4.338) 8.065 18.281 ( 12.815 -2.106 1.597) 13.084 18.474 ( 18.094 -2.323 -6.862) 19.490 23.018 ( -4.204 1.773 -2.824) 5.366 23.098 ( -0.995 1.188 5.241) 5.466 28.270 ( 0.161 1.920 1.723) 2.585 28.369 ( -1.127 -0.630 -1.477) 1.962 29.393 ( -7.174 -0.603 -14.415) 16.113 30.130 ( 11.494 17.160 -3.168) 20.895 30.551 ( -3.380 -0.638 9.157) 9.782 30.787 ( 13.903 13.731 -0.640) 19.551 30.854 ( 0.348 6.807 1.318) 6.942 31.432 ( -5.451 0.242 -3.295) 6.374 31.716 ( 7.846 4.724 2.057) 9.387 33.102 ( 25.057 -20.764 -35.296) 48.008 33.916 ( -25.053 3.789 21.912) 33.499 34.820 ( -3.524 -1.536 11.547) 12.170 45.399 ( 0.603 -2.698 2.020) 3.424 45.818 ( 1.237 -3.301 -1.633) 3.885 89.095 ( 17.631 5.281 3.157) 18.674 89.214 ( 19.293 8.490 -12.255) 24.382 89.488 ( 7.902 -1.630 1.744) 8.255 90.260 ( 10.265 -12.278 -18.756) 24.656 ======================= Grid point 108 (35/196) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 11.453 -10.088 5.721) 16.299 2.048 ( 8.983 -18.091 8.450) 21.895 2.513 ( 4.787 3.601 1.604) 6.202 3.043 ( 4.116 -5.359 0.316) 6.765 3.238 ( 20.650 -13.799 10.829) 27.095 3.590 ( 9.004 -1.889 -12.833) 15.790 3.996 ( 6.178 0.097 0.610) 6.209 4.112 ( 4.789 -8.625 2.636) 10.212 4.241 ( -5.801 2.545 2.223) 6.713 4.515 ( -5.325 6.450 5.404) 9.958 4.816 ( 2.037 -8.151 4.965) 9.759 5.502 ( -3.894 -1.815 -8.810) 9.801 5.857 ( 9.177 0.032 5.296) 10.595 6.625 ( 19.846 2.120 5.241) 20.635 6.714 ( -1.670 -10.290 -13.953) 17.417 7.079 ( 6.018 -3.015 5.537) 8.716 7.360 ( -3.216 3.061 -4.038) 6.001 7.834 ( 2.120 2.908 6.182) 7.153 8.337 ( -3.416 -2.076 -2.000) 4.470 9.082 ( -1.202 6.790 -5.523) 8.835 9.548 ( 0.394 -5.408 -1.808) 5.716 10.110 ( 3.685 1.672 -3.642) 5.444 10.229 ( 0.998 2.157 2.961) 3.797 10.731 ( -2.677 0.980 -2.433) 3.748 11.744 ( -2.309 2.439 0.533) 3.400 11.896 ( -1.622 3.249 -1.083) 3.790 14.801 ( -3.003 -2.089 1.053) 3.807 15.278 ( -5.285 -0.098 -0.877) 5.358 17.270 ( -0.319 2.677 0.467) 2.736 17.620 ( 1.825 1.233 0.008) 2.203 17.740 ( -0.273 -1.266 0.283) 1.325 17.855 ( 5.406 0.823 -1.785) 5.752 18.501 ( 12.679 -0.975 0.695) 12.735 18.692 ( 11.393 -2.148 -2.721) 11.909 22.914 ( -3.072 1.456 -4.109) 5.333 23.087 ( -3.047 2.090 5.783) 6.863 28.267 ( 0.025 1.249 1.955) 2.320 28.343 ( -0.987 0.077 -1.332) 1.660 29.229 ( -1.810 -0.701 -13.713) 13.850 30.029 ( -3.671 2.188 -4.742) 6.384 30.555 ( -6.504 -1.116 9.896) 11.894 30.779 ( -1.963 5.168 2.870) 6.229 30.833 ( 18.735 18.003 1.192) 26.010 31.319 ( -6.488 -0.755 -2.883) 7.139 31.777 ( 4.923 2.673 1.001) 5.691 33.317 ( 6.022 -8.369 -18.989) 21.607 33.844 ( 0.781 -4.459 4.508) 6.389 34.851 ( -4.548 0.973 12.164) 13.023 45.462 ( 0.715 -3.005 1.969) 3.663 45.866 ( 1.532 -2.433 -1.255) 3.137 89.254 ( 11.315 7.416 -7.913) 15.673 89.275 ( 10.502 5.006 4.428) 12.448 89.648 ( 5.572 -4.235 2.654) 7.485 90.425 ( 11.470 -7.400 -13.737) 19.366 ======================= Grid point 109 (36/196) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 4.323 -8.545 1.306) 9.665 2.391 ( 5.731 -8.822 1.927) 10.695 2.531 ( 1.937 1.322 2.766) 3.627 3.096 ( -3.094 -3.748 -6.151) 7.840 3.462 ( 7.059 3.589 -10.657) 13.277 3.746 ( 3.573 -8.009 3.652) 9.499 4.037 ( -3.441 4.846 1.221) 6.068 4.104 ( 8.068 0.649 1.076) 8.165 4.383 ( -3.075 2.400 3.884) 5.505 4.446 ( 4.804 -2.830 6.690) 8.709 4.922 ( 0.148 -3.484 -2.901) 4.536 5.442 ( -4.442 -2.848 3.820) 6.515 6.055 ( 6.928 -6.160 0.318) 9.276 6.716 ( -2.069 -5.484 -2.489) 6.368 6.882 ( 13.674 3.280 0.810) 14.085 7.216 ( -9.048 -1.385 -0.639) 9.175 7.317 ( 19.032 2.669 -1.994) 19.321 7.926 ( 6.860 2.680 7.547) 10.546 8.327 ( -0.375 -4.721 -1.460) 4.956 8.852 ( -11.224 6.217 -4.372) 13.556 9.670 ( 4.386 -7.896 0.799) 9.068 9.924 ( -6.781 8.027 -6.177) 12.189 10.403 ( 7.907 -2.079 6.191) 10.255 10.635 ( -5.200 -0.345 -3.707) 6.395 11.688 ( -1.830 1.827 0.620) 2.659 11.831 ( -1.192 2.139 -0.826) 2.584 14.798 ( -1.556 -1.996 0.369) 2.558 15.207 ( -2.804 0.823 -0.781) 3.025 17.228 ( -0.240 2.497 -1.313) 2.831 17.640 ( 2.031 0.772 1.218) 2.491 17.754 ( -0.919 -1.683 0.430) 1.965 17.904 ( 3.212 0.486 -0.493) 3.286 18.690 ( 9.670 -1.373 0.540) 9.782 18.813 ( 3.804 -0.386 -0.532) 3.861 22.842 ( -0.620 0.563 -3.737) 3.830 23.047 ( -3.699 1.896 5.029) 6.525 28.249 ( -0.954 1.213 -1.072) 1.879 28.337 ( 0.325 0.044 1.617) 1.650 29.159 ( 3.445 -0.580 -10.969) 11.512 29.909 ( -10.566 -8.158 -8.854) 16.018 30.532 ( -6.942 -0.149 8.701) 11.132 30.719 ( -0.824 4.012 3.392) 5.318 30.892 ( 15.591 16.536 4.603) 23.188 31.235 ( -3.902 -1.836 -2.201) 4.842 31.810 ( 2.353 1.372 0.536) 2.776 33.299 ( -0.453 -1.752 -9.970) 10.133 34.019 ( 9.309 -7.904 -5.115) 13.239 34.839 ( -5.997 2.774 12.793) 14.399 45.518 ( -0.097 -2.352 2.059) 3.127 45.903 ( 1.668 -0.691 -1.031) 2.079 89.259 ( 7.968 6.500 -5.321) 11.578 89.359 ( 1.234 -0.466 3.718) 3.945 89.768 ( 3.248 -1.627 -0.201) 3.638 90.604 ( 9.228 -6.300 -3.292) 11.648 ======================= Grid point 110 (37/196) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -2.542 7.434 -1.076) 7.930 2.429 ( -4.038 -3.821 -4.158) 6.942 2.587 ( -2.836 -4.197 -0.496) 5.089 3.032 ( -0.412 -3.642 -7.891) 8.701 3.418 ( 2.748 5.344 -6.753) 9.039 3.831 ( -3.515 -3.845 0.209) 5.214 3.975 ( -0.012 0.617 0.130) 0.631 4.180 ( 5.372 5.651 -1.468) 7.934 4.340 ( -0.532 3.135 9.945) 10.441 4.561 ( 0.531 -0.269 2.899) 2.959 4.832 ( -4.827 5.970 -7.770) 10.923 5.516 ( -1.817 -6.573 9.022) 11.309 6.162 ( -0.823 -3.609 -1.448) 3.975 6.704 ( -6.814 -0.075 1.345) 6.946 7.000 ( 10.970 3.543 -2.492) 11.794 7.157 ( -2.342 -2.473 4.117) 5.343 7.453 ( 3.430 0.844 -3.504) 4.975 7.997 ( -4.706 3.216 7.624) 9.519 8.422 ( 1.947 -3.089 0.418) 3.676 8.673 ( 4.242 -1.343 -2.052) 4.900 9.688 ( -3.156 8.562 -6.285) 11.081 9.869 ( 7.001 -7.308 2.186) 10.354 10.422 ( -7.538 2.075 -1.815) 8.026 10.653 ( 4.576 -3.213 2.537) 6.140 11.665 ( 0.207 0.300 0.782) 0.863 11.805 ( 0.309 -0.289 -0.634) 0.762 14.811 ( -0.574 -1.916 0.606) 2.090 15.164 ( 0.217 1.429 -1.454) 2.050 17.187 ( 0.452 1.717 -2.483) 3.053 17.675 ( 1.525 0.239 2.319) 2.786 17.756 ( -1.992 -1.441 0.523) 2.514 17.930 ( 1.083 0.090 0.095) 1.091 18.800 ( -3.246 0.524 0.258) 3.298 18.825 ( 3.529 -1.089 0.678) 3.755 22.830 ( 2.411 -0.352 -3.265) 4.074 23.021 ( -2.036 0.250 4.756) 5.179 28.208 ( -0.792 0.669 -2.248) 2.476 28.362 ( 0.824 0.138 2.321) 2.467 29.178 ( 6.805 -0.992 -8.344) 10.812 29.798 ( -13.742 -15.572 -12.417) 24.197 30.481 ( -6.727 0.242 6.079) 9.070 30.703 ( 0.663 3.098 4.308) 5.347 30.938 ( 9.493 11.973 6.404) 16.567 31.228 ( 2.087 -0.869 -0.708) 2.369 31.822 ( -0.076 0.006 0.447) 0.453 33.226 ( 0.538 1.606 -10.465) 10.601 34.202 ( 7.234 -6.844 -5.766) 11.507 34.801 ( -6.906 2.927 14.340) 16.183 45.544 ( -1.506 -1.040 2.297) 2.937 45.915 ( 1.634 1.464 -1.026) 2.422 89.247 ( 4.851 5.426 -3.380) 8.025 89.393 ( -5.342 -6.746 1.819) 8.795 89.780 ( 0.055 1.598 -1.720) 2.349 90.805 ( 4.569 -7.688 4.893) 10.194 ======================= Grid point 111 (38/196) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -14.294 12.460 -8.174) 20.649 2.296 ( -6.497 7.888 -6.300) 12.005 2.601 ( -5.500 -6.504 5.375) 10.072 3.037 ( -0.984 -2.425 -5.009) 5.651 3.288 ( -3.258 8.702 -3.278) 9.853 3.765 ( -5.298 -0.242 -3.413) 6.307 4.015 ( 1.186 -2.269 0.431) 2.596 4.144 ( 2.504 4.560 -3.853) 6.474 4.400 ( 1.010 1.287 8.869) 9.019 4.464 ( -14.301 9.154 4.617) 17.596 4.590 ( 0.251 7.914 -10.238) 12.942 5.591 ( -1.869 0.496 2.610) 3.248 6.146 ( -6.439 -3.335 5.609) 9.167 6.567 ( -10.687 -1.639 -1.549) 10.922 7.024 ( 2.272 9.570 -2.746) 10.212 7.220 ( 1.391 -0.753 7.221) 7.393 7.446 ( 1.804 -4.373 -8.050) 9.336 7.809 ( -18.137 2.645 8.671) 20.276 8.460 ( 1.723 0.370 3.417) 3.844 8.938 ( 14.690 -7.887 -1.577) 16.748 9.545 ( 1.852 5.756 -4.133) 7.324 10.085 ( 9.916 -3.944 2.713) 11.011 10.236 ( -9.131 1.927 -3.609) 10.006 10.763 ( 1.862 -2.625 2.093) 3.838 11.698 ( 2.379 -1.189 0.992) 2.838 11.838 ( 1.896 -2.588 -0.608) 3.265 14.837 ( -0.635 -2.010 1.969) 2.884 15.162 ( 4.083 1.358 -2.425) 4.939 17.165 ( 1.415 0.809 -2.774) 3.218 17.703 ( -0.212 0.148 2.647) 2.660 17.738 ( -2.164 -0.505 0.045) 2.222 17.940 ( -0.474 -0.609 0.517) 0.929 18.673 ( -9.758 2.612 -0.002) 10.102 18.873 ( -2.764 -3.226 1.379) 4.466 22.858 ( 3.430 -0.354 -3.511) 4.921 23.072 ( 1.603 -2.924 6.426) 7.239 28.185 ( 0.057 -0.512 -1.688) 1.765 28.387 ( 1.013 0.526 1.548) 1.924 29.241 ( 4.117 -5.405 -10.024) 12.110 29.725 ( -11.784 -18.152 -13.026) 25.259 30.422 ( -5.885 0.090 3.961) 7.095 30.716 ( 1.084 1.916 3.992) 4.559 30.970 ( 5.244 7.629 6.865) 11.525 31.297 ( 6.475 0.919 0.836) 6.593 31.809 ( -3.121 -0.946 0.150) 3.265 33.114 ( 2.403 5.637 -13.735) 15.040 34.313 ( 3.151 -4.398 -4.523) 7.051 34.793 ( -6.461 0.041 17.724) 18.865 45.533 ( -2.976 0.414 2.664) 4.015 45.900 ( 1.577 3.369 -1.249) 3.924 89.207 ( -2.315 0.889 -2.747) 3.701 89.395 ( -4.776 -4.647 -0.615) 6.692 89.734 ( -3.855 -0.655 0.776) 3.987 91.003 ( -1.642 -11.801 8.897) 14.870 ======================= Grid point 112 (39/196) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -19.073 12.401 -7.359) 23.910 1.954 ( -13.038 18.771 0.223) 22.856 2.622 ( -11.092 -6.021 4.647) 13.449 2.949 ( -7.525 2.688 0.226) 7.994 3.050 ( -9.822 11.546 0.945) 15.188 3.656 ( -6.097 0.961 -2.760) 6.761 3.907 ( -15.109 10.243 -4.490) 18.798 4.090 ( -0.338 2.401 1.616) 2.914 4.183 ( -1.379 4.640 -2.025) 5.248 4.318 ( -6.397 8.656 -5.133) 11.925 4.583 ( 6.583 -2.295 0.456) 6.987 5.492 ( 0.644 8.422 -5.450) 10.052 6.170 ( -10.183 -8.302 10.915) 17.081 6.413 ( -11.318 -1.218 -0.387) 11.390 6.853 ( -0.206 11.277 -3.089) 11.694 7.288 ( 2.414 1.365 4.314) 5.128 7.455 ( -4.583 -1.064 -3.390) 5.799 7.659 ( -2.058 0.527 4.818) 5.265 8.493 ( -0.889 0.684 3.642) 3.811 9.125 ( -0.297 -5.034 -3.466) 6.119 9.541 ( 5.282 0.400 -1.249) 5.442 10.063 ( -5.684 -0.434 -6.081) 8.335 10.360 ( 14.019 -5.002 6.470) 16.230 10.797 ( -2.367 -2.199 -0.373) 3.252 11.767 ( 2.935 -1.632 1.014) 3.508 11.908 ( 2.517 -3.474 -0.663) 4.341 14.867 ( -2.073 -2.357 3.752) 4.892 15.220 ( 8.286 0.852 -3.128) 8.898 17.169 ( 2.345 0.189 -1.894) 3.020 17.692 ( -4.061 -1.535 1.152) 4.492 17.721 ( 1.262 2.430 0.436) 2.773 17.939 ( -1.618 -1.036 0.608) 2.015 18.458 ( -13.452 3.051 -0.501) 13.802 18.854 ( -9.064 -6.303 1.812) 11.188 22.887 ( 3.299 -0.381 -3.292) 4.676 23.233 ( 3.432 -6.550 9.829) 12.300 28.199 ( 0.755 -1.788 -0.486) 2.001 28.397 ( 0.594 0.930 0.072) 1.106 29.247 ( -11.104 -20.082 -22.248) 31.962 29.739 ( -0.099 -9.848 -6.737) 11.933 30.358 ( -5.404 0.107 1.742) 5.679 30.743 ( 0.186 -0.595 2.988) 3.053 31.005 ( 4.698 6.808 7.734) 11.323 31.392 ( 6.988 1.746 0.915) 7.261 31.745 ( -6.823 -1.138 -1.246) 7.029 32.943 ( 4.997 11.669 -18.508) 22.443 34.365 ( 1.430 -3.522 -1.879) 4.241 34.881 ( -6.434 -5.496 23.414) 24.896 45.488 ( -3.985 1.497 3.007) 5.212 45.862 ( 1.692 4.453 -1.613) 5.029 89.100 ( -10.179 -2.586 -3.835) 11.181 89.370 ( 0.605 2.720 0.101) 2.789 89.716 ( -8.987 -9.627 2.586) 13.421 91.191 ( -9.676 -20.462 9.255) 24.454 ======================= Grid point 113 (40/196) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -20.769 11.449 4.196) 24.084 1.452 ( -19.087 24.603 6.073) 31.726 2.280 ( -42.432 8.447 11.008) 44.644 2.673 ( -17.677 13.803 8.089) 23.842 2.930 ( 1.346 -1.972 0.596) 2.461 3.396 ( -13.259 10.047 -4.264) 17.173 3.642 ( -3.668 1.077 -1.857) 4.250 3.953 ( -3.057 15.178 -8.937) 17.877 4.109 ( -2.930 1.187 -1.212) 3.386 4.164 ( -2.013 -1.426 0.484) 2.514 4.732 ( 9.530 -3.458 -5.229) 11.408 5.384 ( 7.559 9.444 -8.303) 14.672 6.139 ( -12.915 -1.673 5.245) 14.039 6.304 ( -4.842 -2.394 3.892) 6.658 6.750 ( 3.659 7.308 0.407) 8.183 7.272 ( -6.166 12.147 10.697) 17.320 7.363 ( -1.450 -5.314 -2.596) 6.089 7.749 ( 10.872 -0.204 -4.272) 11.683 8.460 ( -4.433 1.340 2.560) 5.291 9.042 ( -9.621 -0.427 -2.954) 10.074 9.636 ( 2.543 -5.757 -2.414) 6.741 9.965 ( -2.111 -1.006 -9.175) 9.469 10.660 ( -1.382 -5.817 2.415) 6.449 10.810 ( 6.001 -8.873 3.088) 11.148 11.830 ( 1.925 -1.291 0.581) 2.390 11.982 ( 2.362 -3.008 -0.757) 3.899 14.885 ( -4.019 -2.685 4.384) 6.525 15.332 ( 10.325 0.457 -3.242) 10.832 17.206 ( 3.322 -0.284 0.959) 3.469 17.663 ( -2.910 -1.633 0.536) 3.379 17.712 ( 2.286 3.223 0.150) 3.954 17.927 ( -1.882 -0.769 0.124) 2.037 18.202 ( -14.636 2.555 -0.961) 14.888 18.797 ( -15.538 -12.592 -0.783) 20.015 22.920 ( 3.165 -0.506 -2.146) 3.857 23.488 ( 1.626 -13.416 15.928) 20.888 28.238 ( 0.025 -2.815 0.395) 2.843 28.376 ( -1.396 0.042 -2.945) 3.259 29.032 ( -31.464 -29.562 -42.395) 60.508 29.865 ( 9.813 -0.107 1.629) 9.948 30.281 ( -4.355 0.089 -2.359) 4.953 30.770 ( -2.924 -2.980 2.880) 5.072 31.058 ( 6.646 7.754 9.503) 13.950 31.447 ( 2.498 2.529 -1.050) 3.707 31.627 ( -7.218 -1.533 -3.502) 8.168 32.682 ( 8.103 21.078 -23.177) 32.359 34.442 ( 2.960 -4.240 0.193) 5.175 35.115 ( -6.859 -16.926 32.522) 37.299 45.426 ( -4.154 1.832 3.079) 5.486 45.818 ( 2.066 4.591 -2.067) 5.442 88.935 ( -10.673 -1.449 -3.520) 11.331 89.353 ( 1.784 3.801 1.535) 4.471 89.739 ( -14.425 -18.570 1.521) 23.563 91.347 ( -24.021 -35.864 -2.178) 43.220 ======================= Grid point 114 (41/196) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -17.062 10.985 22.045) 29.963 0.903 ( -21.111 22.484 17.900) 35.659 1.474 ( -57.254 12.661 26.116) 64.191 2.276 ( -17.723 12.135 6.468) 22.432 3.007 ( 2.018 -1.468 1.187) 2.763 3.133 ( -4.381 3.036 -2.780) 6.012 3.603 ( 1.706 2.466 -2.362) 3.818 3.685 ( -1.766 8.536 -2.795) 9.154 4.095 ( 4.615 -0.988 7.453) 8.822 4.168 ( -1.275 0.521 6.297) 6.446 4.861 ( 12.342 -0.327 -11.485) 16.862 5.333 ( 11.682 12.465 -9.719) 19.655 5.920 ( -9.562 10.246 -0.789) 14.037 6.442 ( 9.016 -8.930 10.447) 16.437 6.739 ( 2.151 5.086 3.567) 6.574 7.095 ( -6.645 7.068 8.568) 12.943 7.413 ( 5.604 3.806 1.817) 7.014 7.885 ( 11.136 -0.258 -6.741) 13.020 8.381 ( -5.268 1.304 1.523) 5.637 8.881 ( -7.894 0.856 0.352) 7.948 9.583 ( -22.880 -12.155 -21.749) 33.827 9.897 ( 4.326 5.202 -3.563) 7.646 10.578 ( -6.359 -1.060 -2.202) 6.812 11.101 ( -8.431 -22.241 -4.421) 24.192 11.860 ( 0.159 -0.824 0.021) 0.840 12.036 ( 1.531 -1.550 -1.030) 2.410 14.875 ( -4.686 -1.500 3.057) 5.792 15.446 ( 8.099 0.512 -3.189) 8.719 17.315 ( 6.816 -2.545 6.749) 9.924 17.653 ( -1.788 -1.174 0.250) 2.153 17.726 ( 5.524 2.774 -0.184) 6.184 17.910 ( -1.335 -0.294 0.129) 1.373 17.963 ( -12.059 1.382 -1.062) 12.185 18.600 ( -36.712 -17.223 -19.219) 44.875 22.963 ( 2.911 -0.368 -0.183) 2.939 23.870 ( -9.611 -33.206 10.134) 36.024 28.121 ( -31.813 -7.744 -22.005) 39.449 28.322 ( 1.047 -0.860 -3.040) 3.328 28.476 ( -11.919 5.456 -14.645) 19.655 29.989 ( -0.365 1.720 5.760) 6.022 30.232 ( 7.168 0.424 -7.552) 10.421 30.772 ( -5.119 -2.420 5.259) 7.728 31.123 ( 1.654 6.377 8.401) 10.676 31.372 ( -1.545 -0.441 -3.693) 4.028 31.578 ( 0.307 -0.692 -2.645) 2.751 32.302 ( 7.776 31.156 -19.560) 37.600 34.546 ( 3.104 -2.787 2.211) 4.721 35.619 ( -7.122 -39.815 22.939) 46.499 45.370 ( -3.362 1.291 2.780) 4.550 45.776 ( 2.128 4.316 -2.803) 5.569 88.799 ( -5.340 -0.328 -2.133) 5.760 89.346 ( 0.252 1.819 1.745) 2.533 89.757 ( -29.562 -33.651 -3.883) 44.960 91.012 ( -71.767 -26.828 -59.448) 96.975 ======================= Grid point 116 (42/196) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 19.806 0.000 18.178) 26.884 1.499 ( 10.393 0.000 20.556) 23.034 2.099 ( 45.432 0.000 15.561) 48.023 2.484 ( 18.151 0.000 5.420) 18.943 3.057 ( 4.639 0.000 -2.186) 5.128 3.079 ( 12.360 0.000 -5.029) 13.344 3.880 ( 4.380 0.000 5.219) 6.814 3.889 ( 8.808 0.000 -4.437) 9.862 4.282 ( 0.310 0.000 11.574) 11.578 4.685 ( -8.106 -0.000 -8.385) 11.662 4.817 ( -9.408 -0.000 -1.520) 9.530 5.446 ( 3.803 0.000 -5.943) 7.055 5.809 ( 12.655 0.000 3.867) 13.233 6.409 ( 2.654 0.000 -13.280) 13.542 6.601 ( 3.115 0.000 3.763) 4.885 6.873 ( -13.606 -0.000 15.978) 20.987 7.437 ( 1.326 0.000 0.407) 1.387 7.940 ( -4.579 -0.000 -1.280) 4.754 8.326 ( 0.866 0.000 0.044) 0.867 9.149 ( 12.089 0.000 -1.697) 12.208 9.544 ( -6.917 -0.000 -5.266) 8.693 10.049 ( 17.153 0.000 -14.402) 22.398 10.367 ( -4.193 -0.000 -1.503) 4.454 10.769 ( 3.358 0.000 0.355) 3.377 11.841 ( -2.674 -0.000 1.053) 2.874 12.010 ( -1.638 -0.000 -1.281) 2.080 14.795 ( -3.406 -0.000 1.678) 3.797 15.363 ( -5.872 -0.000 -1.746) 6.126 17.325 ( -0.205 -0.000 4.041) 4.046 17.593 ( -0.373 -0.000 -2.420) 2.448 17.736 ( 1.099 0.000 2.508) 2.738 17.878 ( 5.403 0.000 -6.750) 8.646 18.217 ( 14.499 0.000 2.214) 14.667 18.437 ( 18.708 0.000 -10.085) 21.253 23.041 ( -4.882 -0.000 -3.473) 5.992 23.113 ( -0.866 -0.000 6.566) 6.622 28.301 ( -1.120 -0.000 0.872) 1.419 28.354 ( -0.408 -0.000 -0.765) 0.867 29.383 ( -7.045 -0.000 -14.775) 16.368 30.252 ( -10.280 -0.000 -13.817) 17.221 30.542 ( -4.093 -0.000 10.179) 10.971 30.841 ( -0.855 -0.000 3.506) 3.608 31.270 ( 17.349 0.000 -10.455) 20.256 31.462 ( -0.976 -0.000 -4.694) 4.794 32.134 ( 14.318 0.000 -6.005) 15.526 32.459 ( 39.640 0.000 -32.584) 51.313 34.000 ( -36.498 -0.000 31.114) 47.960 34.752 ( -2.773 -0.000 11.033) 11.376 45.364 ( 1.026 0.000 1.830) 2.098 45.770 ( 2.302 0.000 -0.783) 2.431 89.161 ( 19.107 0.000 5.723) 19.945 89.286 ( 1.093 0.000 -2.883) 3.084 89.718 ( 48.930 0.000 -37.356) 61.560 89.907 ( -1.969 -0.000 -4.454) 4.870 ======================= Grid point 117 (43/196) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 20.183 -7.156 14.205) 25.698 1.788 ( 10.049 -4.201 10.305) 14.994 2.712 ( 17.806 7.436 2.594) 19.470 2.899 ( 30.195 -8.849 10.984) 33.327 3.030 ( 8.066 5.948 -1.238) 10.099 3.411 ( 15.324 -12.939 -7.563) 21.434 3.947 ( 4.146 -0.601 -1.327) 4.394 3.982 ( 5.184 -1.732 -1.522) 5.674 4.347 ( -5.213 2.862 8.818) 10.636 4.545 ( -6.233 -2.758 1.093) 6.903 4.735 ( 3.802 1.321 1.178) 4.194 5.462 ( 0.525 -1.345 -4.731) 4.946 5.924 ( 3.459 3.895 2.275) 5.684 6.420 ( 5.985 -7.987 -17.979) 20.564 6.743 ( 12.326 4.729 8.458) 15.679 6.909 ( -0.531 -7.440 11.403) 13.626 7.467 ( 5.337 2.781 -1.884) 6.306 7.882 ( -0.450 0.855 0.459) 1.070 8.314 ( -2.475 -0.073 -1.226) 2.763 9.215 ( 0.778 2.959 -5.534) 6.323 9.454 ( -2.214 -1.897 -2.216) 3.662 10.138 ( 7.521 0.870 -4.358) 8.735 10.293 ( -3.044 1.640 1.191) 3.657 10.751 ( -4.113 0.500 -2.738) 4.967 11.796 ( -3.073 1.259 1.009) 3.470 11.962 ( -2.144 1.513 -1.275) 2.918 14.767 ( -1.792 -0.599 0.318) 1.916 15.278 ( -4.179 0.018 -0.458) 4.204 17.336 ( -0.773 2.093 3.685) 4.308 17.582 ( -0.762 -2.511 -2.126) 3.377 17.770 ( 2.015 1.955 1.742) 3.305 17.889 ( 4.602 1.509 -4.922) 6.905 18.459 ( 12.255 -1.954 2.898) 12.743 18.621 ( 12.583 -2.074 -6.773) 14.440 22.938 ( -4.326 0.426 -4.560) 6.300 23.124 ( -3.949 0.764 7.277) 8.314 28.292 ( -0.650 0.587 1.790) 1.993 28.339 ( -1.114 -0.241 -1.000) 1.516 29.214 ( -1.184 -0.321 -14.372) 14.424 29.963 ( -15.677 -2.849 -13.366) 20.798 30.545 ( -5.553 -0.056 10.523) 11.898 30.820 ( -3.844 0.891 2.561) 4.704 31.286 ( -1.513 1.059 -5.158) 5.478 31.439 ( 10.353 10.544 -3.912) 15.287 32.078 ( 16.276 24.859 -1.814) 29.768 32.923 ( 17.525 -21.908 -23.234) 36.427 33.811 ( -11.696 0.781 16.213) 20.007 34.799 ( -5.880 -3.201 12.509) 14.188 45.408 ( 2.071 -1.140 1.466) 2.781 45.818 ( 3.259 -1.113 -0.169) 3.448 89.261 ( -1.727 -0.131 0.458) 1.791 89.514 ( 20.553 1.468 7.280) 21.854 89.713 ( 6.165 12.998 -9.639) 17.317 90.171 ( 21.007 -12.037 -24.673) 34.568 ======================= Grid point 118 (44/196) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 8.986 -5.712 4.626) 11.609 2.171 ( 18.539 -6.350 6.923) 20.783 2.775 ( 9.060 13.518 1.675) 16.359 3.036 ( 4.295 0.321 -7.700) 8.823 3.464 ( 13.850 -5.946 9.021) 17.566 3.594 ( 8.714 -1.458 -13.563) 16.186 4.045 ( 2.441 -2.081 0.440) 3.237 4.135 ( 9.633 -9.264 0.264) 13.368 4.252 ( -1.934 4.828 6.456) 8.291 4.521 ( -4.733 -0.216 6.672) 8.183 4.869 ( 9.590 0.701 0.621) 9.635 5.429 ( -0.820 1.112 -2.198) 2.596 5.943 ( 1.079 -1.955 1.267) 2.567 6.481 ( 2.993 -9.725 -12.197) 15.884 6.920 ( 4.151 -2.258 8.813) 10.000 7.124 ( 5.289 -1.479 6.377) 8.416 7.505 ( 12.916 7.295 -3.722) 15.294 7.938 ( 4.460 -1.393 4.224) 6.299 8.263 ( 0.049 -0.364 -3.216) 3.237 9.011 ( -13.647 5.540 -5.062) 15.574 9.504 ( 3.413 -4.792 1.667) 6.115 10.102 ( -1.850 5.253 -6.537) 8.588 10.364 ( 7.923 -0.712 7.243) 10.758 10.622 ( -7.900 -0.648 -5.301) 9.536 11.737 ( -3.107 1.709 1.041) 3.696 11.893 ( -2.453 2.256 -1.204) 3.544 14.761 ( -0.368 -0.937 -0.397) 1.082 15.230 ( -1.575 0.851 0.339) 1.822 17.302 ( -1.423 3.289 1.452) 3.867 17.600 ( -1.494 -3.796 0.044) 4.080 17.766 ( 1.632 2.856 -0.493) 3.326 17.917 ( 3.023 0.063 -1.640) 3.440 18.653 ( 8.448 -1.390 1.304) 8.660 18.757 ( 4.771 -3.217 -2.017) 6.097 22.847 ( -2.699 -0.053 -4.133) 4.936 23.085 ( -6.106 1.034 6.386) 8.896 28.280 ( -1.279 1.118 0.044) 1.699 28.326 ( -0.661 -0.766 1.102) 1.496 29.148 ( 4.398 -0.150 -11.340) 12.164 29.677 ( -17.636 -7.524 -14.189) 23.853 30.532 ( -5.981 0.088 9.269) 11.031 30.759 ( -4.760 0.907 2.633) 5.515 31.196 ( -5.264 -0.946 -3.148) 6.205 31.436 ( 13.892 15.148 -1.027) 20.579 32.005 ( 10.446 18.365 2.001) 21.223 33.163 ( 6.053 -10.630 -13.606) 18.296 33.849 ( 3.769 -4.131 1.864) 5.894 34.828 ( -8.374 -3.028 12.960) 15.724 45.468 ( 2.259 -1.406 1.247) 2.938 45.885 ( 3.942 -0.603 0.296) 3.999 89.248 ( -2.800 -1.954 1.529) 3.741 89.560 ( -0.377 8.261 -6.604) 10.583 89.790 ( 15.486 5.299 3.040) 16.647 90.412 ( 12.339 -9.109 -11.103) 18.934 ======================= Grid point 119 (45/196) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 8.211 -4.132 -0.236) 9.195 2.505 ( 13.183 -2.536 1.620) 13.522 2.675 ( 1.875 15.891 -1.674) 16.089 2.988 ( 1.119 0.720 -10.761) 10.843 3.537 ( 7.115 4.178 -11.136) 13.859 3.717 ( 0.830 -4.000 4.861) 6.349 4.032 ( -3.240 2.107 0.733) 3.934 4.275 ( 3.354 2.038 5.334) 6.622 4.390 ( 3.681 -3.223 4.153) 6.418 4.540 ( 2.355 -0.592 5.710) 6.205 4.940 ( 7.289 4.701 -6.163) 10.640 5.407 ( -2.184 -0.799 5.366) 5.848 6.019 ( 1.935 -6.154 -3.825) 7.500 6.604 ( 3.619 -7.722 -1.175) 8.609 7.026 ( -7.421 -6.807 4.836) 11.171 7.127 ( 2.869 6.284 1.689) 7.112 7.568 ( 4.713 5.656 -1.398) 7.494 8.027 ( -4.024 -0.573 7.425) 8.465 8.365 ( 15.032 -1.039 -3.617) 15.496 8.691 ( -12.815 2.574 -2.690) 13.345 9.691 ( 8.662 -6.105 4.323) 11.445 9.919 ( -2.322 8.979 -7.199) 11.741 10.460 ( -6.643 0.399 -3.078) 7.332 10.567 ( 5.973 -3.048 3.070) 7.375 11.686 ( -1.770 1.184 1.137) 2.414 11.824 ( -1.947 1.532 -1.042) 2.687 14.774 ( 1.057 -0.978 -0.589) 1.556 15.209 ( 0.888 1.916 -0.037) 2.113 17.244 ( -1.059 2.872 -0.598) 3.119 17.628 ( -2.487 -3.826 2.163) 5.050 17.753 ( 1.013 1.526 -0.618) 1.933 17.939 ( 1.010 0.129 -0.368) 1.082 18.755 ( 0.812 -2.161 -0.625) 2.391 18.805 ( -1.852 -1.915 1.270) 2.951 22.809 ( 0.343 -1.147 -3.243) 3.457 23.025 ( -5.763 0.130 4.911) 7.573 28.233 ( -1.692 1.238 -1.583) 2.627 28.348 ( -0.229 -1.185 2.400) 2.687 29.153 ( 3.245 -0.694 -9.993) 10.529 29.446 ( -13.622 -10.886 -12.311) 21.345 30.495 ( -6.316 0.713 7.081) 9.516 30.709 ( -4.164 -0.515 3.223) 5.291 31.125 ( -3.416 -0.728 -0.907) 3.608 31.454 ( 13.477 14.075 0.847) 19.505 31.944 ( 5.592 13.054 3.210) 14.560 33.223 ( 4.158 -2.546 -10.948) 11.984 34.006 ( 6.672 -7.525 -3.743) 10.731 34.815 ( -10.260 -1.847 13.185) 16.808 45.521 ( 1.536 -0.724 1.240) 2.102 45.948 ( 4.131 0.988 0.411) 4.267 89.248 ( -4.541 -3.814 2.950) 6.624 89.399 ( -3.598 4.835 -5.630) 8.247 89.872 ( 5.953 6.291 -2.814) 9.107 90.625 ( 6.618 -7.067 1.361) 9.777 ======================= Grid point 120 (46/196) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -7.727 6.992 -11.571) 15.572 2.462 ( 7.467 8.859 0.739) 11.610 2.656 ( 9.860 9.233 -1.596) 13.602 2.960 ( 1.684 -2.711 -5.853) 6.666 3.489 ( 3.539 6.428 -7.399) 10.420 3.746 ( -3.616 -0.452 0.714) 3.713 3.985 ( -0.554 0.099 1.731) 1.820 4.265 ( -2.032 3.751 1.565) 4.545 4.431 ( -3.898 2.440 9.257) 10.337 4.605 ( -1.211 1.785 4.231) 4.749 4.870 ( 5.884 11.614 -10.536) 16.749 5.493 ( 1.744 -5.555 5.728) 8.167 6.068 ( -1.646 -3.811 -2.524) 4.858 6.596 ( -10.339 2.806 0.512) 10.725 7.079 ( -2.487 -9.687 10.190) 14.278 7.152 ( 3.800 -0.419 -4.053) 5.571 7.474 ( -1.722 6.822 -5.106) 8.693 7.888 ( -15.599 3.993 9.482) 18.686 8.485 ( 2.944 1.123 0.291) 3.165 8.737 ( 12.204 -7.076 -2.346) 14.301 9.729 ( -0.180 8.375 -6.988) 10.909 9.962 ( 11.637 -5.060 6.088) 14.074 10.302 ( -7.945 2.222 -4.546) 9.419 10.691 ( 1.991 -2.700 2.078) 3.946 11.681 ( 0.948 -0.126 1.283) 1.600 11.793 ( -0.343 -0.724 -0.836) 1.158 14.807 ( 2.278 -0.503 -0.074) 2.334 15.211 ( 3.995 2.403 -1.210) 4.816 17.197 ( 0.024 1.818 -1.638) 2.447 17.648 ( -4.098 -3.572 3.183) 6.300 17.748 ( 0.702 0.754 -0.104) 1.036 17.941 ( -0.230 0.277 0.216) 0.420 18.694 ( -10.622 -1.156 0.720) 10.709 18.795 ( -4.952 -2.497 0.109) 5.547 22.832 ( 2.667 -1.667 -2.888) 4.270 23.002 ( -3.042 -2.297 4.549) 5.935 28.185 ( -1.283 0.550 -1.581) 2.109 28.380 ( 0.253 -1.141 2.043) 2.354 29.020 ( -15.193 -9.729 -16.725) 24.601 29.449 ( 5.892 -4.969 -2.824) 8.209 30.436 ( -5.851 0.998 5.133) 7.847 30.690 ( -4.115 -2.096 3.285) 5.667 31.103 ( -0.120 0.070 1.009) 1.019 31.489 ( 11.504 11.160 1.613) 16.109 31.883 ( 2.038 9.450 3.362) 10.235 33.213 ( 5.972 2.015 -12.921) 14.376 34.155 ( 4.009 -7.435 -4.426) 9.536 34.773 ( -11.482 -1.812 14.282) 18.414 45.546 ( 0.236 0.593 1.483) 1.615 45.984 ( 3.816 3.035 0.074) 4.876 89.200 ( -10.452 -1.994 -0.301) 10.645 89.299 ( -1.956 -1.666 -0.402) 2.601 89.796 ( -2.083 5.208 -3.882) 6.821 90.792 ( 1.193 -5.646 5.458) 7.943 ======================= Grid point 121 (47/196) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -12.409 15.579 -10.042) 22.305 2.464 ( 6.714 18.535 -1.454) 19.767 2.607 ( 1.985 6.153 1.210) 6.577 2.974 ( -0.280 -1.290 -3.061) 3.334 3.351 ( -1.752 10.833 -3.659) 11.567 3.666 ( -4.712 0.548 -1.888) 5.106 4.007 ( -2.151 -0.254 0.415) 2.206 4.179 ( -3.797 4.773 3.788) 7.180 4.327 ( -13.450 2.680 3.790) 14.228 4.514 ( -4.951 6.337 6.154) 10.126 4.734 ( 9.675 13.816 -10.953) 20.112 5.583 ( -0.770 -0.827 -2.288) 2.552 6.037 ( -6.007 -2.223 5.444) 8.406 6.407 ( -10.104 1.165 2.333) 10.435 7.050 ( -8.793 -3.374 -2.051) 9.639 7.284 ( 4.321 7.283 -5.211) 9.943 7.390 ( 5.898 -5.566 2.833) 8.590 7.739 ( -5.651 5.000 9.193) 11.893 8.511 ( 0.589 0.460 1.403) 1.589 8.957 ( 4.885 -7.167 -2.121) 8.929 9.595 ( -1.218 4.311 -5.299) 6.939 10.117 ( -6.531 3.840 -3.433) 8.318 10.241 ( 11.251 -4.225 6.178) 13.513 10.723 ( -3.301 -3.305 -0.777) 4.735 11.728 ( 2.403 -1.267 1.181) 2.962 11.820 ( 1.183 -3.031 -0.687) 3.326 14.849 ( 2.662 0.632 1.136) 2.963 15.257 ( 7.899 2.070 -2.429) 8.520 17.179 ( 1.344 0.701 -1.500) 2.132 17.638 ( -5.315 -2.755 2.449) 6.468 17.755 ( 0.819 0.430 0.669) 1.142 17.932 ( -0.905 0.278 0.756) 1.211 18.508 ( -14.881 0.439 0.678) 14.903 18.708 ( -12.643 -4.635 -0.341) 13.470 22.868 ( 2.426 -1.125 -2.804) 3.875 23.072 ( 0.079 -5.767 5.476) 7.953 28.164 ( -0.564 -0.787 -0.588) 1.133 28.405 ( -0.061 -0.363 0.300) 0.475 28.771 ( -20.419 -14.325 -18.117) 30.828 29.628 ( 11.494 -2.190 1.351) 11.779 30.371 ( -5.452 0.884 2.823) 6.202 30.683 ( -4.659 -3.198 3.385) 6.587 31.131 ( 3.061 1.151 2.219) 3.952 31.533 ( 8.575 7.257 1.176) 11.295 31.803 ( -1.247 8.084 2.919) 8.685 33.164 ( 9.085 6.048 -16.948) 20.158 34.247 ( 0.950 -5.972 -3.355) 6.915 34.746 ( -12.351 -4.594 16.774) 21.331 45.535 ( -1.140 2.041 1.921) 3.026 45.984 ( 3.240 4.806 -0.641) 5.831 89.047 ( -10.752 -1.520 -2.281) 11.096 89.306 ( -7.093 -6.673 3.291) 10.280 89.644 ( -6.112 4.228 -2.768) 7.931 90.882 ( -3.957 -5.950 4.575) 8.485 ======================= Grid point 122 (48/196) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -12.163 18.187 -1.305) 21.918 2.125 ( -12.031 26.159 3.547) 29.010 2.532 ( -3.785 11.627 0.347) 12.232 2.953 ( 1.407 4.068 2.631) 5.044 3.111 ( -6.091 15.215 0.848) 16.411 3.577 ( -5.553 2.718 -0.262) 6.188 3.764 ( -14.508 8.236 -3.865) 17.124 4.139 ( -4.043 1.625 0.704) 4.414 4.156 ( -0.620 5.208 3.125) 6.105 4.394 ( -5.120 9.272 2.493) 10.881 4.676 ( 10.315 4.833 -8.525) 14.228 5.473 ( -7.907 -0.470 -2.864) 8.423 6.060 ( -2.010 -1.718 3.431) 4.332 6.319 ( -2.459 0.229 5.634) 6.152 6.980 ( 1.284 4.457 -1.183) 4.787 7.209 ( 3.099 -1.132 -11.397) 11.865 7.553 ( 2.973 6.502 9.173) 11.630 7.718 ( 3.674 -0.875 2.697) 4.641 8.501 ( -1.251 1.482 0.273) 1.958 9.009 ( -4.040 -2.303 -1.300) 4.829 9.483 ( -8.325 -3.581 -6.733) 11.290 10.000 ( 0.427 3.543 -1.133) 3.745 10.484 ( 5.341 -5.888 6.591) 10.326 10.668 ( -8.095 -4.189 -3.217) 9.666 11.788 ( 1.642 -1.895 0.533) 2.563 11.885 ( 1.669 -4.178 -0.655) 4.546 14.882 ( 2.470 2.162 2.273) 3.993 15.354 ( 10.314 1.399 -3.036) 10.842 17.198 ( 2.440 -0.245 0.095) 2.454 17.605 ( -5.525 -2.811 1.416) 6.359 17.770 ( 1.855 1.078 0.835) 2.302 17.921 ( -0.967 0.310 1.237) 1.600 18.263 ( -15.610 1.694 -0.571) 15.712 18.536 ( -20.136 -7.343 -0.526) 21.440 22.899 ( 2.390 -1.128 -1.915) 3.264 23.205 ( -1.635 -8.681 6.803) 11.150 28.174 ( -1.667 -1.932 1.029) 2.751 28.335 ( -9.841 -3.330 -9.719) 14.226 28.569 ( -10.577 -9.075 -8.947) 16.561 29.850 ( 12.020 -1.061 4.367) 12.833 30.285 ( -5.387 0.431 -1.815) 5.701 30.683 ( -5.283 -3.652 4.864) 8.057 31.195 ( 5.700 1.971 2.880) 6.683 31.569 ( 3.969 2.460 -0.827) 4.742 31.669 ( -4.033 9.834 1.990) 10.814 33.080 ( 13.738 10.955 -22.745) 28.741 34.313 ( 0.803 -5.795 -0.695) 5.892 34.771 ( -15.253 -9.945 20.555) 27.460 45.492 ( -2.111 3.124 2.352) 4.444 45.952 ( 2.712 5.671 -1.570) 6.479 88.896 ( -9.362 -1.359 -2.174) 9.707 89.265 ( -20.632 -13.075 3.779) 24.717 89.500 ( -1.636 5.638 -0.509) 5.893 90.886 ( -8.907 -6.539 -0.138) 11.050 ======================= Grid point 123 (49/196) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -7.780 17.843 14.421) 24.225 1.547 ( -26.494 25.043 11.127) 38.117 2.135 ( -11.556 33.296 5.791) 35.717 2.734 ( -12.635 19.958 8.818) 25.214 3.041 ( 9.620 4.312 0.403) 10.550 3.295 ( -11.025 9.217 -6.412) 15.736 3.645 ( 1.599 1.195 2.952) 3.563 4.019 ( -4.230 10.814 -6.263) 13.193 4.083 ( -0.033 0.499 2.516) 2.565 4.263 ( 0.718 9.394 9.363) 13.283 4.769 ( 9.351 -3.994 -9.015) 13.589 5.395 ( -5.257 -4.543 0.044) 6.948 6.042 ( -3.588 -1.435 1.011) 3.994 6.417 ( 11.684 1.457 0.464) 11.784 6.921 ( 5.843 10.268 -4.704) 12.716 7.189 ( -4.499 -0.658 -3.917) 6.001 7.559 ( 11.382 6.341 4.482) 13.779 7.853 ( 6.573 -2.943 -2.196) 7.529 8.444 ( -1.462 3.422 -0.580) 3.766 8.926 ( -4.388 2.568 1.698) 5.360 9.288 ( -21.628 -8.121 -10.178) 25.245 10.002 ( 4.296 3.286 -1.300) 5.563 10.529 ( -7.073 -2.678 -3.219) 8.219 10.653 ( -8.518 -10.522 6.112) 14.853 11.825 ( -0.064 -1.888 -0.460) 1.944 11.957 ( 1.174 -4.235 -0.869) 4.480 14.900 ( 2.247 3.449 2.714) 4.930 15.464 ( 8.544 0.960 -3.108) 9.143 17.261 ( 2.699 -1.494 3.701) 4.818 17.569 ( -6.351 -4.339 0.476) 7.706 17.804 ( 4.999 2.205 0.738) 5.513 17.916 ( -0.480 0.799 1.758) 1.990 18.013 ( -11.917 2.142 -2.053) 12.281 18.279 ( -25.420 -7.018 -2.180) 26.461 22.943 ( 2.536 -1.190 -0.215) 2.809 23.315 ( -9.533 -11.755 7.557) 16.917 28.043 ( -11.225 -0.486 -3.068) 11.647 28.266 ( 2.008 -2.890 -0.893) 3.630 28.517 ( -1.186 -0.780 -2.633) 2.992 30.020 ( -0.934 0.763 6.303) 6.417 30.213 ( 4.876 -1.598 -7.496) 9.084 30.692 ( -5.408 -3.283 7.400) 9.735 31.292 ( 7.681 2.310 3.693) 8.830 31.437 ( -10.395 6.829 -3.196) 12.842 31.589 ( 2.958 3.560 -0.523) 4.657 32.958 ( 20.138 17.667 -29.972) 40.200 34.418 ( 1.202 -6.801 1.718) 7.117 34.846 ( -21.663 -18.375 25.422) 38.121 45.433 ( -2.304 3.469 2.544) 4.880 45.902 ( 2.238 5.409 -2.708) 6.450 88.784 ( -5.083 -0.784 -1.483) 5.352 89.053 ( -34.241 -14.522 2.341) 37.267 89.444 ( 0.998 5.065 2.436) 5.708 90.751 ( -12.383 -1.801 -10.401) 16.272 ======================= Grid point 124 (50/196) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.625 20.823 21.250) 29.759 0.998 ( -10.974 17.109 24.382) 31.743 1.580 ( -3.394 41.365 18.036) 45.253 2.374 ( -5.927 20.173 7.358) 22.276 3.016 ( -5.422 4.790 -5.713) 9.219 3.144 ( 7.592 4.186 -0.891) 8.715 3.703 ( 3.125 2.243 5.949) 7.084 3.808 ( 3.358 10.155 -6.365) 12.446 4.218 ( 3.210 1.624 7.372) 8.203 4.308 ( 9.927 -6.452 14.894) 19.026 4.871 ( 4.801 -4.758 -10.900) 12.826 5.422 ( 0.973 -4.425 0.315) 4.542 5.990 ( 0.413 6.438 -7.804) 10.126 6.528 ( -2.492 -2.899 -3.656) 5.290 6.823 ( 1.188 6.641 -6.967) 9.698 7.066 ( -7.139 -0.675 4.768) 8.611 7.781 ( 4.688 3.893 -7.922) 9.995 7.911 ( 5.801 -4.943 -3.246) 8.284 8.372 ( -0.718 4.165 -0.725) 4.288 8.885 ( -7.808 2.027 2.147) 8.348 9.008 ( 13.389 2.240 -0.130) 13.576 9.932 ( -4.314 3.543 -7.104) 9.035 10.509 ( 0.738 -3.363 0.984) 3.581 10.621 ( -13.539 -5.786 4.715) 15.461 11.838 ( -0.643 -1.951 -0.067) 2.055 12.009 ( 0.203 -3.289 -1.163) 3.494 14.895 ( -0.452 3.195 2.826) 4.289 15.514 ( 2.185 0.932 -3.196) 3.982 17.345 ( -5.849 -4.841 7.055) 10.364 17.551 ( -0.846 -4.805 -0.652) 4.923 17.799 ( -6.447 1.213 -0.796) 6.608 17.842 ( -5.402 3.446 -1.414) 6.562 17.959 ( 7.614 0.915 0.959) 7.728 18.021 ( 0.723 3.966 -2.821) 4.921 23.001 ( 2.287 -1.011 2.028) 3.219 23.284 ( -18.178 -8.327 4.860) 20.576 28.156 ( 11.838 -5.997 7.879) 15.433 28.381 ( 4.663 -1.006 2.703) 5.483 28.635 ( 34.845 -7.849 9.923) 37.071 29.876 ( -11.693 0.747 -5.983) 13.156 30.365 ( 9.682 -1.714 1.205) 9.906 30.718 ( -3.955 -2.762 8.520) 9.791 31.136 ( -11.643 8.343 -4.150) 14.913 31.429 ( 8.491 -0.850 2.858) 8.999 31.571 ( -0.377 0.890 -2.147) 2.355 32.784 ( 27.822 27.574 -36.824) 53.762 34.504 ( -9.577 -9.653 7.184) 15.379 34.912 ( -30.479 -19.938 22.973) 43.062 45.379 ( -1.585 2.880 2.464) 4.108 45.838 ( 1.046 4.854 -3.707) 6.197 88.699 ( -17.486 -2.238 2.218) 17.768 88.773 ( 1.367 -0.147 -0.214) 1.391 89.410 ( -0.704 4.123 3.357) 5.363 90.414 ( -5.403 13.407 -18.653) 23.599 ======================= Grid point 127 (51/196) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 12.056 0.000 2.456) 12.304 2.090 ( 20.116 0.000 14.095) 24.563 2.943 ( 8.139 0.000 -1.092) 8.212 3.159 ( 5.307 0.000 -6.510) 8.399 3.351 ( 20.096 0.000 10.668) 22.752 3.536 ( 21.746 0.000 -9.659) 23.795 3.954 ( 2.643 0.000 -5.667) 6.253 4.023 ( 3.515 0.000 0.620) 3.569 4.399 ( -3.196 -0.000 11.399) 11.838 4.437 ( -5.350 -0.000 2.928) 6.099 4.900 ( 16.309 0.000 -0.772) 16.328 5.451 ( -0.039 -0.000 -0.753) 0.754 5.934 ( -4.215 -0.000 -0.382) 4.232 6.334 ( 6.205 0.000 -12.981) 14.388 6.859 ( -3.986 -0.000 10.485) 11.217 7.122 ( 15.058 0.000 6.533) 16.415 7.609 ( 10.157 0.000 -0.206) 10.159 7.908 ( 3.835 0.000 0.286) 3.846 8.267 ( 0.475 0.000 -4.005) 4.033 9.091 ( -14.226 -0.000 -5.151) 15.130 9.440 ( 2.734 0.000 2.056) 3.421 10.170 ( 2.083 0.000 -6.642) 6.961 10.361 ( 6.063 0.000 7.797) 9.876 10.611 ( -9.703 -0.000 -6.155) 11.490 11.761 ( -3.658 -0.000 1.203) 3.851 11.925 ( -2.804 -0.000 -1.334) 3.105 14.749 ( 0.013 0.000 -0.690) 0.690 15.242 ( -1.033 -0.000 0.849) 1.337 17.366 ( -2.157 -0.000 5.192) 5.622 17.523 ( -1.502 -0.000 -3.141) 3.482 17.830 ( 1.405 0.000 1.924) 2.382 17.905 ( 2.320 0.000 -5.159) 5.656 18.629 ( 8.020 0.000 3.892) 8.914 18.706 ( 6.143 0.000 -4.676) 7.720 22.845 ( -3.561 -0.000 -4.241) 5.537 23.098 ( -7.079 -0.000 7.014) 9.965 28.300 ( -0.743 -0.000 2.212) 2.333 28.309 ( -1.679 -0.000 -0.942) 1.925 29.148 ( 5.252 0.000 -11.219) 12.387 29.576 ( -18.692 -0.000 -14.762) 23.819 30.534 ( -5.609 -0.000 9.264) 10.830 30.771 ( -5.731 -0.000 2.715) 6.341 31.183 ( -5.163 -0.000 -4.091) 6.587 31.581 ( 5.657 0.000 -3.042) 6.423 32.549 ( 18.544 0.000 -7.846) 20.136 32.800 ( 8.676 0.000 -10.342) 13.500 33.809 ( -1.435 -0.000 7.695) 7.827 34.766 ( -8.272 -0.000 12.998) 15.407 45.450 ( 3.169 0.000 0.946) 3.307 45.877 ( 4.874 0.000 0.838) 4.946 89.222 ( -3.755 -0.000 2.020) 4.264 89.639 ( -4.388 -0.000 -5.758) 7.239 89.997 ( 17.137 0.000 13.500) 21.816 90.195 ( 16.901 0.000 -27.036) 31.884 ======================= Grid point 128 (52/196) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 13.546 -1.874 -2.759) 13.951 2.454 ( 14.223 -1.103 10.948) 17.982 2.955 ( 1.817 3.258 -10.273) 10.929 3.129 ( 4.940 8.379 -3.299) 10.271 3.630 ( 9.177 -1.268 4.044) 10.108 3.688 ( 12.263 7.285 -9.690) 17.244 4.041 ( -0.485 -2.066 1.009) 2.349 4.134 ( 9.031 -11.298 -0.689) 14.480 4.358 ( 0.066 3.624 4.020) 5.413 4.495 ( -1.343 -3.071 8.507) 9.144 5.120 ( 17.757 6.440 -4.181) 19.346 5.430 ( -2.519 1.217 2.762) 3.932 5.884 ( -2.040 -3.680 -2.362) 4.825 6.420 ( 8.883 -4.721 -2.333) 10.326 6.870 ( -6.281 -4.003 4.345) 8.623 7.246 ( -2.993 2.313 5.026) 6.290 7.682 ( 1.084 2.784 1.679) 3.427 7.997 ( 3.820 -1.136 2.511) 4.711 8.356 ( 16.863 -0.014 -6.232) 17.978 8.768 ( -20.418 2.327 -2.240) 20.672 9.576 ( 9.381 -2.505 5.872) 11.348 10.114 ( 1.112 5.237 -7.384) 9.121 10.420 ( -9.115 -2.529 -8.032) 12.409 10.530 ( 7.038 -0.225 7.295) 10.139 11.712 ( -3.113 0.647 1.366) 3.460 11.863 ( -3.117 1.021 -1.352) 3.547 14.759 ( 1.925 -0.281 -0.892) 2.140 15.248 ( 1.421 0.930 1.039) 1.991 17.333 ( -2.657 3.674 3.099) 5.492 17.510 ( -2.468 -4.497 -0.727) 5.181 17.822 ( 0.462 3.251 -0.175) 3.288 17.918 ( 0.879 -1.899 -2.108) 2.970 18.717 ( -0.664 -0.649 -1.724) 1.959 18.744 ( 0.124 -2.006 2.423) 3.148 22.783 ( -1.182 -0.626 -3.273) 3.536 23.027 ( -7.869 0.032 5.363) 9.522 28.265 ( -1.999 1.145 -0.759) 2.426 28.312 ( -1.176 -1.339 1.898) 2.604 29.159 ( -5.484 1.382 -11.701) 12.996 29.245 ( -3.945 -5.107 -9.781) 11.718 30.510 ( -5.607 0.361 7.492) 9.365 30.702 ( -6.110 -0.085 3.130) 6.865 31.096 ( -3.148 -0.823 -3.300) 4.635 31.616 ( 3.659 1.573 -2.288) 4.593 32.499 ( 12.399 24.638 -2.111) 27.663 33.025 ( 8.028 -14.133 -9.899) 19.031 33.874 ( 3.257 -2.292 1.825) 4.381 34.739 ( -10.596 -2.712 12.863) 16.885 45.509 ( 3.415 -0.252 0.630) 3.482 45.964 ( 5.701 0.330 1.303) 5.857 89.185 ( -5.030 -1.185 3.616) 6.307 89.476 ( -8.678 1.250 -6.419) 10.866 90.097 ( 8.109 9.826 -10.799) 16.701 90.423 ( 10.671 -8.452 5.722) 14.767 ======================= Grid point 129 (53/196) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 10.919 0.595 -7.119) 13.049 2.666 ( 5.070 2.853 3.252) 6.665 2.831 ( 3.443 2.850 -8.756) 9.831 3.060 ( 4.244 10.207 -1.849) 11.208 3.661 ( 10.376 9.164 -9.418) 16.743 3.765 ( 3.565 1.273 3.275) 5.006 3.995 ( -5.231 0.539 1.834) 5.570 4.290 ( -0.420 -1.814 -0.110) 1.865 4.484 ( 5.313 -2.788 4.909) 7.752 4.543 ( -3.298 -3.272 5.059) 6.869 5.182 ( 14.310 13.213 -6.781) 20.624 5.408 ( -2.711 -0.765 5.784) 6.433 5.943 ( 3.639 -6.088 -4.853) 8.594 6.629 ( 5.254 -1.130 1.902) 5.701 6.822 ( -11.214 -8.257 7.285) 15.716 7.112 ( -12.031 -1.457 -0.073) 12.120 7.655 ( 2.846 6.111 -0.092) 6.742 7.994 ( -8.768 3.124 5.185) 10.655 8.500 ( -3.980 0.139 -1.326) 4.197 8.609 ( 13.378 -2.721 -3.696) 14.144 9.846 ( 13.952 -3.173 6.833) 15.856 9.959 ( -1.343 8.721 -7.201) 11.389 10.302 ( -5.010 -2.728 -6.820) 8.891 10.645 ( 1.171 -0.727 4.079) 4.306 11.686 ( -0.711 0.291 1.514) 1.697 11.797 ( -2.414 0.729 -1.227) 2.805 14.803 ( 4.473 0.025 -0.576) 4.510 15.273 ( 4.018 2.097 -0.021) 4.532 17.264 ( -1.754 3.477 0.719) 3.960 17.533 ( -3.901 -5.180 2.010) 6.789 17.787 ( 0.285 2.388 -0.248) 2.418 17.933 ( -0.151 -1.191 -0.697) 1.388 18.639 ( -10.246 -2.270 -0.837) 10.527 18.744 ( -5.936 -1.636 1.601) 6.362 22.783 ( 1.744 -1.774 -2.377) 3.440 22.960 ( -5.946 -1.074 3.724) 7.098 28.211 ( -2.113 1.353 -0.882) 2.660 28.332 ( -0.955 -2.338 1.785) 3.092 28.837 ( -18.570 -4.367 -14.944) 24.233 29.373 ( 11.894 -1.731 -1.769) 12.149 30.465 ( -5.630 1.062 5.749) 8.116 30.644 ( -5.888 -1.260 3.372) 6.901 31.069 ( 0.015 -1.719 -2.122) 2.731 31.625 ( 2.108 1.320 -2.056) 3.227 32.350 ( 8.576 22.921 2.604) 24.611 33.187 ( 8.535 -5.150 -12.179) 15.739 33.980 ( 3.357 -5.271 -0.864) 6.309 34.700 ( -12.509 -3.414 12.757) 18.190 45.560 ( 2.775 0.438 0.632) 2.880 46.047 ( 5.574 1.759 1.109) 5.949 89.143 ( -8.091 -1.725 4.574) 9.453 89.286 ( -8.966 -0.096 -5.061) 10.297 89.966 ( -0.021 6.970 -10.197) 12.351 90.674 ( 4.873 -3.874 8.673) 10.676 ======================= Grid point 130 (54/196) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -3.497 12.605 -10.918) 17.039 2.707 ( 12.614 5.349 -1.482) 13.781 2.892 ( -0.746 -3.728 -1.576) 4.116 2.971 ( 6.928 12.884 -0.650) 14.643 3.598 ( 5.218 10.508 -6.763) 13.541 3.737 ( -2.134 4.801 -1.083) 5.365 3.980 ( -0.438 -1.732 3.539) 3.964 4.275 ( -1.764 1.961 1.549) 3.059 4.391 ( -13.240 4.277 5.479) 14.954 4.601 ( -4.676 -1.155 4.783) 6.788 5.138 ( 13.231 16.606 -9.246) 23.158 5.489 ( 2.367 -5.281 1.906) 6.092 6.010 ( -0.624 -1.279 -0.579) 1.536 6.478 ( -10.983 3.744 1.061) 11.653 6.832 ( -16.973 -9.527 0.170) 19.465 7.167 ( 8.289 -9.320 7.914) 14.772 7.580 ( 2.997 10.905 -4.488) 12.167 7.856 ( -4.989 3.674 6.647) 9.087 8.497 ( 0.605 -1.691 -0.647) 1.909 8.812 ( 9.557 -3.680 -1.868) 10.410 9.753 ( -4.883 7.398 -7.406) 11.551 10.140 ( 10.772 -2.845 6.312) 12.805 10.212 ( -1.902 1.927 -2.741) 3.853 10.644 ( -5.275 -2.495 -0.226) 5.840 11.705 ( 1.223 -0.602 1.302) 1.885 11.766 ( -0.828 -1.119 -0.975) 1.699 14.879 ( 6.868 1.402 0.248) 7.014 15.321 ( 7.424 2.674 -1.495) 8.031 17.213 ( -0.303 2.146 -0.127) 2.171 17.545 ( -5.370 -4.437 2.935) 7.559 17.770 ( 0.603 1.156 0.188) 1.318 17.935 ( -0.534 -0.369 -0.015) 0.649 18.470 ( -15.984 -2.922 0.479) 16.256 18.630 ( -12.599 -1.663 -0.260) 12.711 22.829 ( 2.559 -1.859 -2.194) 3.849 22.949 ( -2.399 -3.647 3.280) 5.460 28.163 ( -1.736 0.686 -0.274) 1.887 28.369 ( -0.127 -2.681 1.292) 2.979 28.522 ( -17.728 -5.534 -13.375) 22.887 29.581 ( 13.127 -1.549 1.107) 13.264 30.401 ( -5.509 1.313 3.074) 6.443 30.607 ( -6.012 -2.454 4.395) 7.841 31.105 ( 3.066 -2.057 -1.232) 3.892 31.614 ( -0.032 0.527 -2.205) 2.267 32.211 ( 6.030 20.394 4.704) 21.781 33.254 ( 10.600 0.593 -15.284) 18.609 34.080 ( 1.086 -6.259 -1.562) 6.541 34.643 ( -13.882 -3.697 13.536) 19.738 45.585 ( 1.563 1.758 0.981) 2.548 46.095 ( 4.634 3.637 0.301) 5.898 89.025 ( -10.863 -0.219 0.435) 10.874 89.162 ( -10.387 -4.138 0.819) 11.211 89.795 ( -2.296 6.271 -6.791) 9.525 90.798 ( -0.023 -1.660 6.105) 6.327 ======================= Grid point 131 (55/196) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -5.914 18.544 -4.049) 19.881 2.681 ( -14.146 14.384 1.407) 20.223 2.819 ( 13.768 8.776 -1.016) 16.359 3.022 ( 8.086 2.707 -0.157) 8.529 3.452 ( -0.192 11.402 -4.083) 12.113 3.636 ( -1.856 3.431 0.001) 3.900 3.947 ( -6.043 6.863 -3.158) 9.675 4.205 ( -6.925 0.461 1.664) 7.136 4.241 ( -1.374 2.246 8.550) 8.947 4.505 ( -9.563 3.808 4.163) 11.103 5.031 ( 11.650 17.784 -9.115) 23.132 5.469 ( -11.538 0.628 -1.652) 11.673 6.016 ( 2.026 -2.821 1.281) 3.702 6.342 ( -7.456 2.952 7.468) 10.958 6.780 ( -3.111 -13.048 -5.766) 14.601 7.427 ( 4.327 7.696 -5.768) 10.546 7.495 ( 9.005 -4.172 6.336) 11.775 7.814 ( -1.937 4.986 5.162) 7.433 8.519 ( 1.843 -0.111 -1.097) 2.147 8.947 ( 4.465 -1.848 -0.056) 4.833 9.501 ( -11.575 4.209 -7.483) 14.412 10.117 ( -0.453 4.902 0.833) 4.993 10.372 ( 6.385 -3.027 5.528) 8.972 10.563 ( -8.763 -4.019 -3.992) 10.435 11.741 ( 0.675 -1.601 0.394) 1.781 11.788 ( 0.581 -3.180 -0.601) 3.288 14.965 ( 7.675 3.675 1.308) 8.609 15.405 ( 9.922 2.470 -2.509) 10.528 17.201 ( 1.033 0.637 0.259) 1.241 17.524 ( -6.921 -3.461 2.377) 8.095 17.782 ( 2.101 0.361 0.583) 2.210 17.929 ( -0.615 0.038 0.553) 0.828 18.261 ( -16.610 -2.239 0.670) 16.773 18.418 ( -17.472 -2.039 -1.362) 17.643 22.865 ( 1.639 -1.501 -1.550) 2.709 23.021 ( -0.406 -5.974 2.976) 6.687 28.143 ( -1.935 -0.512 1.769) 2.672 28.246 ( -12.302 -2.789 -10.238) 16.247 28.426 ( -0.431 -3.995 0.394) 4.037 29.812 ( 12.605 -1.757 3.026) 13.082 30.304 ( -6.246 0.896 -2.181) 6.676 30.596 ( -5.729 -2.874 7.398) 9.788 31.186 ( 5.299 -1.798 -1.061) 5.695 31.575 ( -2.734 -0.398 -2.696) 3.860 32.071 ( 3.421 18.525 4.815) 19.444 33.276 ( 14.019 4.503 -19.533) 24.461 34.152 ( -0.655 -6.329 -0.660) 6.397 34.587 ( -15.240 -5.056 15.401) 22.249 45.576 ( 0.225 3.219 1.563) 3.585 46.095 ( 3.263 5.213 -0.890) 6.214 88.874 ( -9.020 -0.314 -0.665) 9.050 89.040 ( -16.194 -5.398 1.858) 17.171 89.661 ( 0.020 6.302 -2.217) 6.681 90.816 ( -2.970 -0.530 1.680) 3.453 ======================= Grid point 132 (56/196) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -4.138 20.509 6.284) 21.845 2.181 ( -21.603 23.148 7.467) 32.532 2.845 ( 12.134 17.962 -1.182) 21.709 3.090 ( 3.390 5.081 2.524) 6.609 3.252 ( -1.485 13.182 0.704) 13.284 3.601 ( 0.155 13.141 -2.923) 13.463 3.662 ( -5.191 2.652 -0.839) 5.889 4.134 ( -1.384 3.416 1.624) 4.027 4.243 ( -6.033 9.189 2.750) 11.331 4.373 ( -3.394 -4.313 5.898) 8.056 4.919 ( 11.367 15.900 -8.558) 21.337 5.265 ( -13.860 -3.235 3.352) 14.622 6.052 ( -1.228 1.650 -0.488) 2.113 6.342 ( 0.299 -5.108 4.520) 6.827 6.938 ( 5.768 -10.375 -4.929) 12.853 7.314 ( 7.441 10.677 -12.039) 17.729 7.715 ( -3.950 -1.583 1.506) 4.515 7.731 ( 3.924 1.225 7.023) 8.137 8.533 ( 3.090 2.992 -1.397) 4.522 9.001 ( 3.853 3.002 2.513) 5.493 9.204 ( -15.494 1.178 -7.389) 17.206 10.082 ( 0.322 3.061 1.170) 3.293 10.444 ( -7.122 -3.532 -4.534) 9.152 10.495 ( -0.471 -3.163 3.996) 5.118 11.769 ( -0.326 -2.296 -0.536) 2.380 11.843 ( 0.678 -4.317 -0.691) 4.424 15.021 ( 5.690 5.481 1.997) 8.149 15.500 ( 8.439 1.936 -2.737) 9.081 17.231 ( 1.453 -0.862 2.216) 2.787 17.465 ( -8.021 -3.455 1.030) 8.794 17.836 ( 5.207 0.530 0.748) 5.287 17.933 ( 0.355 0.107 1.488) 1.533 18.050 ( -12.263 0.386 -1.295) 12.337 18.170 ( -17.038 -2.272 -0.909) 17.213 22.903 ( 1.734 -1.827 -0.260) 2.532 23.102 ( -2.711 -6.355 2.497) 7.346 28.046 ( -6.186 0.387 -0.199) 6.201 28.196 ( 2.062 -2.230 1.329) 3.315 28.467 ( -0.142 -2.928 -0.597) 2.992 30.022 ( 4.680 -0.849 5.894) 7.574 30.174 ( -1.797 -1.094 -9.298) 9.533 30.616 ( -5.031 -2.485 10.276) 11.709 31.285 ( 6.087 -1.520 -1.834) 6.537 31.499 ( -5.268 -0.257 -3.187) 6.162 31.901 ( 0.260 17.077 3.368) 17.408 33.274 ( 18.389 8.062 -24.974) 32.044 34.226 ( -1.997 -7.432 1.852) 7.915 34.548 ( -16.152 -7.091 17.817) 25.073 45.536 ( -0.786 4.319 2.130) 4.880 46.050 ( 1.840 5.903 -2.148) 6.546 88.764 ( -6.142 -0.608 0.067) 6.172 88.856 ( -15.708 -3.442 0.638) 16.093 89.595 ( 1.493 6.314 1.857) 6.749 90.751 ( -4.079 1.001 -4.099) 5.869 ======================= Grid point 133 (57/196) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.771 17.928 16.209) 24.182 1.688 ( -5.289 28.143 11.873) 30.999 2.655 ( 7.459 37.022 2.771) 37.867 2.877 ( -9.725 16.672 7.464) 20.695 3.196 ( -4.274 4.803 -2.237) 6.807 3.316 ( 7.844 13.273 -4.368) 16.025 3.763 ( 6.940 1.248 7.627) 10.387 4.014 ( -5.155 6.229 -5.670) 9.876 4.138 ( 3.217 -0.526 4.435) 5.504 4.450 ( -0.361 1.856 10.650) 10.816 4.846 ( 8.695 9.452 -8.442) 15.369 5.235 ( -4.532 -8.419 5.195) 10.881 6.009 ( -0.465 0.438 -0.540) 0.837 6.425 ( -4.507 -6.297 -2.200) 8.050 7.025 ( -1.358 -2.505 -4.642) 5.447 7.158 ( 2.636 12.610 -13.150) 18.409 7.708 ( 2.907 -4.698 -1.643) 5.764 7.814 ( -4.458 -2.999 2.256) 5.827 8.500 ( 0.959 5.256 -1.497) 5.549 8.938 ( -8.865 2.050 -2.653) 9.478 9.103 ( 16.202 5.065 4.150) 17.475 9.989 ( -7.120 1.163 -6.188) 9.505 10.440 ( 3.260 -1.536 0.756) 3.682 10.516 ( -3.483 -3.128 2.246) 5.193 11.783 ( -0.825 -2.316 -1.026) 2.664 11.902 ( 0.210 -4.630 -0.956) 4.732 15.010 ( -0.248 5.514 2.399) 6.019 15.543 ( 2.212 1.489 -2.612) 3.732 17.272 ( -3.384 -1.895 4.452) 5.905 17.435 ( -0.271 -3.934 -0.323) 3.957 17.838 ( -7.200 1.785 -1.295) 7.530 17.909 ( -2.794 1.336 -0.407) 3.124 17.981 ( 4.087 0.771 0.076) 4.160 18.048 ( 5.131 -0.748 0.841) 5.253 22.959 ( 1.555 -2.172 1.624) 3.126 23.127 ( -5.511 -4.906 1.334) 7.498 28.073 ( 5.543 -1.443 5.585) 8.000 28.332 ( 8.369 -2.365 7.552) 11.518 28.508 ( 4.048 -3.795 1.382) 5.719 29.899 ( -11.184 0.996 -7.554) 13.533 30.297 ( 9.329 -3.383 1.169) 9.992 30.655 ( -4.185 -2.035 10.963) 11.910 31.292 ( -6.659 2.291 -6.503) 9.585 31.440 ( 4.440 0.089 -0.749) 4.504 31.711 ( -1.999 12.048 1.661) 12.325 33.253 ( 23.195 11.759 -30.760) 40.279 34.252 ( -15.466 -8.264 8.518) 19.494 34.593 ( -6.898 -8.631 16.341) 19.726 45.479 ( -1.100 4.656 2.438) 5.369 45.973 ( 0.550 5.665 -3.111) 6.486 88.671 ( -5.679 -0.403 0.975) 5.776 88.770 ( 2.187 -0.105 -0.378) 2.222 89.553 ( 0.594 6.663 4.073) 7.832 90.612 ( -2.472 4.349 -10.617) 11.737 ======================= Grid point 134 (58/196) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 11.203 12.981 18.974) 25.573 1.535 ( 16.254 25.707 10.676) 32.234 2.284 ( 6.378 37.822 14.858) 41.133 2.618 ( 0.130 16.379 2.684) 16.598 2.993 ( -2.058 8.091 -2.482) 8.710 3.372 ( 12.008 6.817 -1.896) 13.938 3.855 ( 4.325 6.034 7.816) 10.779 3.887 ( 2.719 3.185 -6.590) 7.808 4.316 ( 4.189 -5.418 5.079) 8.526 4.489 ( 1.098 2.056 14.242) 14.432 4.783 ( -0.243 2.203 -7.594) 7.911 5.404 ( 8.349 -8.138 2.391) 11.902 5.970 ( -4.253 3.014 -10.696) 11.899 6.290 ( -11.382 -2.130 2.226) 11.792 6.926 ( 2.259 13.256 -12.888) 18.626 6.996 ( -2.499 -1.902 1.543) 3.499 7.628 ( -14.730 3.249 2.456) 15.282 7.830 ( -2.238 -7.235 -0.795) 7.615 8.424 ( -0.481 4.717 -1.401) 4.944 8.928 ( 8.821 -1.326 -1.282) 9.012 9.451 ( 25.283 -1.722 1.472) 25.384 9.820 ( -1.405 1.681 -9.993) 10.231 10.423 ( -6.515 -1.465 0.331) 6.686 10.627 ( 8.576 -2.165 0.847) 8.886 11.794 ( -1.131 -2.483 -0.326) 2.748 11.948 ( -0.597 -4.127 -1.176) 4.333 14.917 ( -5.579 4.127 3.100) 7.601 15.487 ( -4.444 1.225 -2.334) 5.167 17.266 ( -2.295 -1.804 2.476) 3.828 17.536 ( 4.144 -4.400 -0.053) 6.044 17.749 ( -0.806 0.390 -1.158) 1.464 17.799 ( -2.710 3.227 -1.755) 4.565 18.109 ( 10.719 0.385 0.995) 10.772 18.243 ( 18.530 0.902 -2.195) 18.682 23.021 ( -0.194 -2.463 3.329) 4.145 23.096 ( -4.370 -2.297 -0.484) 4.960 28.205 ( 2.444 -3.220 2.299) 4.650 28.404 ( -0.707 0.438 -1.077) 1.361 29.136 ( 40.458 -26.474 18.727) 51.850 29.646 ( -10.084 0.971 -12.451) 16.052 30.461 ( 4.003 -2.292 5.272) 7.005 30.698 ( -3.365 -2.021 7.738) 8.677 31.023 ( -10.538 7.376 -6.901) 14.598 31.512 ( 1.132 -1.099 -4.243) 4.527 31.599 ( 2.161 4.140 3.323) 5.732 33.208 ( 26.965 16.081 -35.954) 47.732 34.110 ( -27.700 -7.093 17.438) 33.491 34.746 ( -1.629 -5.444 12.370) 13.613 45.427 ( -0.582 4.044 2.392) 4.734 45.883 ( -0.017 4.959 -3.043) 5.818 88.756 ( 16.244 -4.004 -3.668) 17.127 88.891 ( 14.006 -0.962 0.065) 14.039 89.499 ( -0.366 6.776 4.864) 8.349 90.428 ( 2.773 8.800 -15.600) 18.124 ======================= Grid point 138 (59/196) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 16.502 0.000 -6.621) 17.781 2.675 ( 5.130 0.000 10.243) 11.456 2.876 ( 0.019 0.000 -16.685) 16.685 3.212 ( -0.330 -0.000 2.422) 2.444 3.775 ( 8.169 0.000 1.258) 8.265 3.886 ( 6.842 0.000 -6.680) 9.562 4.089 ( 7.121 0.000 -1.564) 7.291 4.104 ( 3.628 0.000 0.512) 3.664 4.368 ( 0.351 0.000 -0.560) 0.661 4.543 ( -0.998 -0.000 7.586) 7.651 5.406 ( -7.014 -0.000 7.921) 10.580 5.430 ( 20.618 0.000 -6.594) 21.647 5.809 ( 0.762 0.000 -4.548) 4.611 6.580 ( 12.595 0.000 8.351) 15.112 6.727 ( -11.463 -0.000 -1.497) 11.561 7.093 ( -20.199 -0.000 2.936) 20.412 7.745 ( 3.941 0.000 2.643) 4.745 8.026 ( -3.553 -0.000 1.190) 3.747 8.503 ( -12.115 -0.000 -0.309) 12.119 8.579 ( 16.246 0.000 -4.996) 16.997 9.802 ( 14.900 0.000 8.080) 16.950 10.152 ( 4.512 0.000 -6.738) 8.110 10.186 ( -9.532 -0.000 -9.440) 13.416 10.640 ( 0.619 0.000 5.144) 5.181 11.690 ( -1.504 -0.000 1.585) 2.185 11.810 ( -3.184 -0.000 -1.403) 3.479 14.804 ( 5.226 0.000 -0.557) 5.256 15.302 ( 4.045 0.000 0.517) 4.078 17.347 ( -4.288 -0.000 5.690) 7.125 17.425 ( -1.772 -0.000 -2.575) 3.125 17.846 ( -1.253 -0.000 0.843) 1.510 17.892 ( 0.971 0.000 -2.295) 2.492 18.606 ( -10.271 -0.000 -1.667) 10.406 18.720 ( -5.661 -0.000 2.451) 6.169 22.758 ( 1.244 0.000 -2.227) 2.551 22.946 ( -6.849 -0.000 3.585) 7.730 28.239 ( -2.071 -0.000 -0.392) 2.108 28.289 ( -1.890 -0.000 1.431) 2.370 28.784 ( -18.356 -0.000 -13.928) 23.042 29.351 ( 12.997 0.000 -1.842) 13.126 30.480 ( -5.387 -0.000 5.754) 7.882 30.629 ( -6.728 -0.000 3.842) 7.748 31.043 ( 0.250 0.000 -3.248) 3.257 31.636 ( 0.632 0.000 -2.118) 2.210 32.838 ( 0.932 0.000 -2.160) 2.353 32.950 ( 16.604 0.000 -10.181) 19.477 33.914 ( 2.308 0.000 1.686) 2.858 34.645 ( -11.764 -0.000 12.077) 16.860 45.566 ( 3.735 0.000 0.321) 3.749 46.070 ( 6.247 0.000 1.503) 6.425 89.121 ( -7.192 -0.000 5.357) 8.968 89.284 ( -11.041 -0.000 -5.802) 12.473 90.075 ( -1.090 -0.000 -16.095) 16.132 90.613 ( 7.430 0.000 13.571) 15.472 ======================= Grid point 139 (60/196) ======================= q-point: (-0.60 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 11.355 7.312 -9.744) 16.653 2.744 ( 4.083 -1.836 -3.845) 5.901 2.810 ( -0.263 -2.196 -0.307) 2.233 3.181 ( -2.127 4.387 3.490) 5.996 3.821 ( 0.725 1.705 -6.462) 6.722 3.931 ( 5.725 1.293 3.734) 6.956 3.985 ( 2.751 14.140 -1.431) 14.476 4.272 ( 4.470 -2.768 -3.134) 6.120 4.435 ( -3.534 -7.671 1.815) 8.638 4.518 ( -5.850 1.658 4.468) 7.545 5.376 ( -3.674 -2.017 7.680) 8.749 5.553 ( 15.609 14.295 -7.062) 22.312 5.904 ( 6.992 -7.797 -4.763) 11.506 6.491 ( -18.007 -2.794 -4.045) 18.666 6.746 ( -12.798 4.128 6.466) 14.921 6.937 ( 5.652 -8.195 8.673) 13.204 7.800 ( 3.994 5.691 -0.388) 6.963 7.909 ( -7.695 0.197 1.987) 7.950 8.448 ( 1.458 -1.382 -0.567) 2.088 8.760 ( 11.408 -0.818 -2.257) 11.658 9.930 ( -9.173 5.213 -8.432) 13.506 10.090 ( 13.685 -0.844 7.229) 15.500 10.204 ( 3.595 -1.980 -4.593) 6.159 10.609 ( -7.973 -0.400 1.570) 8.136 11.694 ( 0.209 -0.230 1.360) 1.395 11.756 ( -2.419 0.036 -1.282) 2.738 14.907 ( 9.082 0.625 0.259) 9.107 15.376 ( 7.116 1.295 -0.801) 7.277 17.288 ( -2.911 3.445 2.777) 5.297 17.425 ( -3.025 -4.445 0.754) 5.430 17.816 ( -0.372 2.017 0.254) 2.067 17.907 ( 0.256 -1.549 -0.682) 1.712 18.402 ( -16.531 -1.741 -1.056) 16.655 18.604 ( -11.995 -0.491 1.194) 12.065 22.786 ( 3.079 -1.078 -1.531) 3.604 22.889 ( -4.169 -1.111 2.181) 4.835 28.195 ( -2.280 1.544 0.400) 2.782 28.289 ( -1.746 -2.722 1.058) 3.403 28.450 ( -14.672 -1.053 -11.235) 18.509 29.552 ( 13.443 -0.647 0.689) 13.476 30.427 ( -5.502 0.577 2.123) 5.926 30.567 ( -6.860 -0.721 6.378) 9.394 31.058 ( 3.688 -1.181 -2.905) 4.841 31.614 ( -1.479 -0.138 -2.202) 2.656 32.707 ( 2.912 15.899 -0.224) 16.165 33.169 ( 12.198 -6.762 -12.447) 18.694 33.966 ( 1.062 -2.247 1.471) 2.888 34.564 ( -12.517 -1.990 11.557) 17.152 45.618 ( 3.180 0.692 0.444) 3.284 46.160 ( 5.501 1.350 0.872) 5.731 89.031 ( -10.398 0.469 4.312) 11.267 89.090 ( -10.776 -1.630 -3.030) 11.312 89.921 ( -2.330 2.907 -10.798) 11.423 90.772 ( 1.738 -0.488 9.351) 9.524 ======================= Grid point 140 (61/196) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 1.058 16.022 -6.155) 17.196 2.797 ( -8.569 -1.224 5.377) 10.190 2.915 ( 14.706 -2.247 -5.931) 16.016 3.122 ( -0.771 3.671 2.801) 4.682 3.700 ( -7.822 3.735 -2.281) 8.963 3.814 ( 2.510 14.083 -3.486) 14.723 4.045 ( 5.572 -0.394 4.612) 7.244 4.281 ( -8.567 4.016 0.296) 9.467 4.319 ( 2.564 5.683 -1.852) 6.504 4.501 ( -7.707 -4.398 4.599) 9.994 5.455 ( 1.085 -2.076 0.233) 2.354 5.491 ( 8.937 16.617 -6.084) 19.824 5.943 ( -7.504 -2.138 -0.654) 7.830 6.387 ( 1.840 -8.911 -3.450) 9.731 6.513 ( -13.496 1.567 2.734) 13.860 7.253 ( 7.247 -8.493 11.410) 15.964 7.682 ( -1.391 6.626 -4.473) 8.115 7.908 ( 2.413 2.445 2.062) 4.006 8.506 ( 4.784 -0.618 -1.056) 4.938 8.920 ( 10.018 -0.490 0.140) 10.031 9.638 ( -13.267 5.247 -7.689) 16.207 10.219 ( 1.544 2.666 0.727) 3.165 10.323 ( 7.441 -1.041 5.481) 9.300 10.472 ( -10.045 -2.778 -3.710) 11.063 11.711 ( -0.256 -0.798 0.380) 0.920 11.729 ( -0.832 -1.398 -0.808) 1.816 15.047 ( 10.780 2.470 1.166) 11.120 15.469 ( 9.410 2.191 -1.945) 9.856 17.237 ( -1.313 2.089 1.702) 2.997 17.432 ( -4.521 -3.555 1.665) 5.988 17.803 ( 1.653 1.291 0.080) 2.099 17.917 ( -0.815 -0.842 0.010) 1.172 18.173 ( -16.700 -3.687 -0.306) 17.105 18.400 ( -15.887 -0.051 -0.128) 15.888 22.831 ( 1.649 -0.950 -1.122) 2.209 22.897 ( -0.342 -3.650 1.392) 3.922 28.148 ( -3.665 0.694 2.187) 4.324 28.205 ( -8.168 -0.331 -7.096) 10.825 28.328 ( -0.544 -3.752 0.270) 3.801 29.770 ( 12.492 -1.370 1.834) 12.700 30.323 ( -6.803 0.462 -3.848) 7.829 30.546 ( -5.836 -1.054 10.710) 12.242 31.133 ( 6.083 -1.942 -2.847) 6.991 31.563 ( -3.553 -0.444 -2.457) 4.342 32.540 ( 2.040 16.898 1.633) 17.098 33.303 ( 12.616 -2.374 -16.107) 20.597 34.020 ( -0.463 -3.552 1.753) 3.988 34.489 ( -13.062 -2.707 11.955) 17.913 45.645 ( 2.009 2.024 0.978) 3.015 46.204 ( 3.811 3.116 -0.372) 4.937 88.879 ( -9.188 0.645 0.071) 9.211 88.948 ( -12.228 -2.329 1.179) 12.504 89.799 ( 0.007 4.076 -4.709) 6.228 90.820 ( -1.667 0.449 4.189) 4.531 ======================= Grid point 141 (62/196) ======================= q-point: (-0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -0.560 20.128 2.482) 20.288 2.614 ( -14.703 8.893 6.249) 18.284 3.081 ( 6.691 1.824 3.353) 7.704 3.129 ( 6.211 1.452 -2.394) 6.813 3.525 ( -3.663 4.597 -1.322) 6.025 3.680 ( 0.634 7.621 -0.249) 7.652 4.082 ( 3.132 14.176 -7.307) 16.253 4.164 ( 3.717 -1.667 3.379) 5.292 4.288 ( -1.972 1.620 0.978) 2.733 4.440 ( -5.666 4.392 5.600) 9.097 5.235 ( -16.534 6.660 3.569) 18.179 5.408 ( 8.773 14.677 -8.141) 18.939 5.975 ( 1.569 -8.455 -2.137) 8.861 6.330 ( -8.198 4.800 7.670) 12.210 6.610 ( 8.188 -13.432 -6.919) 17.186 7.454 ( -1.974 -4.431 1.169) 4.990 7.600 ( 3.990 2.065 -1.244) 4.661 7.886 ( -0.246 5.790 1.910) 6.102 8.584 ( 6.105 1.094 -0.744) 6.247 9.071 ( 10.902 2.357 1.601) 11.268 9.300 ( -14.942 5.098 -6.249) 16.979 10.150 ( -7.667 1.905 1.533) 8.047 10.377 ( 0.306 -1.506 -4.197) 4.470 10.444 ( 1.083 -1.187 2.870) 3.289 11.716 ( -0.659 -1.683 -0.536) 1.885 11.749 ( 0.052 -2.854 -0.551) 2.908 15.156 ( 7.539 4.654 1.761) 9.034 15.559 ( 8.023 2.425 -2.337) 8.702 17.222 ( -0.567 0.195 2.077) 2.161 17.398 ( -5.760 -1.857 0.899) 6.118 17.840 ( 4.401 -0.044 -0.471) 4.426 17.911 ( -1.809 -1.725 1.370) 2.850 18.022 ( -8.411 -2.321 -0.532) 8.742 18.152 ( -15.327 0.466 -0.818) 15.356 22.857 ( 0.779 -1.648 -0.225) 1.837 22.963 ( 0.077 -4.618 0.524) 4.648 28.057 ( -4.372 0.441 0.142) 4.397 28.165 ( 1.324 -0.137 2.848) 3.144 28.375 ( -0.313 -4.092 -0.336) 4.118 29.980 ( 9.229 -2.018 3.686) 10.141 30.161 ( -7.124 -0.152 -9.681) 12.020 30.570 ( -4.607 -1.059 13.013) 13.845 31.235 ( 6.804 -2.119 -3.554) 7.964 31.485 ( -4.961 -0.578 -2.662) 5.659 32.352 ( -0.090 17.266 1.790) 17.358 33.385 ( 15.028 0.650 -20.348) 25.304 34.072 ( -1.778 -4.308 3.360) 5.746 34.422 ( -12.962 -3.243 13.083) 18.700 45.639 ( 0.626 3.511 1.729) 3.964 46.188 ( 1.758 4.611 -1.831) 5.264 88.759 ( -7.298 0.169 1.246) 7.406 88.807 ( -8.011 -0.996 -0.796) 8.112 89.746 ( 2.156 5.092 0.949) 5.610 90.783 ( -2.946 1.293 -1.155) 3.418 ======================= Grid point 142 (63/196) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 1.544 20.601 9.056) 22.557 2.321 ( -3.398 19.380 8.510) 21.437 3.102 ( -4.842 3.114 6.283) 8.522 3.200 ( 9.925 4.518 -3.983) 11.610 3.410 ( 0.656 12.882 0.431) 12.906 3.671 ( 0.870 1.112 5.094) 5.287 3.896 ( 9.680 18.938 -6.665) 22.288 4.147 ( -12.709 2.256 -2.496) 13.147 4.225 ( 4.255 5.664 0.356) 7.093 4.386 ( -0.526 0.974 9.212) 9.279 5.065 ( -5.447 -3.429 5.266) 8.316 5.274 ( 8.462 18.067 -5.235) 20.626 6.022 ( -3.054 -2.580 -3.449) 5.280 6.278 ( -3.124 -1.921 4.980) 6.185 6.811 ( 2.377 -11.965 -8.367) 14.792 7.387 ( -0.846 2.005 -9.725) 9.966 7.636 ( -1.437 -0.695 -0.007) 1.596 7.820 ( -1.922 4.670 5.105) 7.181 8.611 ( 1.001 3.081 -0.700) 3.315 9.001 ( -8.926 3.075 -5.785) 11.072 9.246 ( 15.564 5.635 5.676) 17.498 10.004 ( -7.188 0.190 -5.516) 9.062 10.426 ( 4.575 0.193 1.219) 4.738 10.455 ( -1.743 -1.525 0.812) 2.454 11.725 ( -0.627 -2.063 -1.111) 2.425 11.791 ( 0.288 -3.797 -0.702) 3.872 15.159 ( -0.405 5.732 2.105) 6.120 15.591 ( 1.947 2.203 -2.148) 3.641 17.229 ( -3.024 -1.453 2.891) 4.429 17.363 ( 0.014 -1.512 -0.046) 1.513 17.873 ( -6.004 -0.469 -1.538) 6.216 17.909 ( -1.160 0.135 -0.239) 1.192 17.995 ( -0.867 0.048 -0.437) 0.972 18.013 ( 7.905 -1.545 1.670) 8.226 22.897 ( 0.566 -2.569 0.859) 2.767 23.010 ( -1.617 -4.290 -0.229) 4.591 28.054 ( 2.202 -0.198 3.130) 3.832 28.279 ( 7.468 -1.641 10.103) 12.670 28.411 ( -0.723 -3.881 -1.420) 4.195 29.921 ( -10.708 0.650 -9.005) 14.007 30.204 ( 9.279 -3.622 0.753) 9.989 30.616 ( -4.112 -0.998 12.951) 13.625 31.298 ( 0.280 -0.969 -5.818) 5.905 31.422 ( 0.289 -1.026 -2.133) 2.384 32.113 ( -3.443 17.488 0.800) 17.842 33.441 ( 17.973 3.166 -24.748) 30.750 34.102 ( -7.977 -3.567 7.204) 11.324 34.412 ( -6.944 -5.572 13.178) 15.904 45.602 ( -0.508 4.639 2.394) 5.245 46.117 ( -0.050 5.343 -3.024) 6.139 88.669 ( -3.626 0.185 0.500) 3.665 88.769 ( 2.476 0.022 -0.424) 2.512 89.730 ( 2.384 6.728 4.750) 8.574 90.691 ( -2.440 2.209 -6.297) 7.105 ======================= Grid point 143 (64/196) ======================= q-point: (-0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 9.273 17.417 11.676) 22.927 2.195 ( 13.687 23.697 8.412) 28.629 2.919 ( -12.279 9.679 2.591) 15.848 3.194 ( -0.698 24.237 6.341) 25.063 3.225 ( 5.763 8.435 -1.129) 10.278 3.573 ( 5.287 12.540 -2.613) 13.857 3.942 ( -4.721 0.732 -4.467) 6.540 3.979 ( 9.382 0.192 8.674) 12.779 4.230 ( 4.569 4.025 0.959) 6.164 4.437 ( -4.581 -3.906 5.541) 8.182 5.076 ( -1.189 11.359 3.183) 11.856 5.253 ( 16.501 1.492 0.547) 16.577 5.953 ( -5.529 -3.110 -8.453) 10.568 6.272 ( -4.028 0.528 4.652) 6.176 6.868 ( -1.503 -8.261 -6.835) 10.827 7.233 ( -0.676 7.425 -13.193) 15.154 7.614 ( -3.246 -2.302 -1.970) 4.441 7.756 ( -6.466 2.567 6.906) 9.802 8.537 ( -3.000 3.631 -1.393) 4.912 8.899 ( 1.845 -0.735 -2.855) 3.478 9.496 ( 18.512 4.294 6.548) 20.100 9.872 ( 0.091 2.422 -8.531) 8.869 10.377 ( -7.603 -2.028 -0.747) 7.904 10.580 ( 8.782 -1.299 1.344) 8.978 11.733 ( -0.808 -2.172 -1.188) 2.604 11.838 ( -0.086 -4.083 -0.870) 4.175 15.043 ( -6.828 5.376 2.673) 9.092 15.526 ( -4.893 1.816 -1.861) 5.541 17.220 ( -1.904 -1.794 0.901) 2.767 17.438 ( 4.099 -3.021 0.929) 5.176 17.768 ( -2.446 1.073 -1.406) 3.018 17.866 ( -2.256 1.648 -0.990) 2.964 18.098 ( 10.724 -1.061 0.396) 10.783 18.232 ( 16.000 -1.541 0.945) 16.102 22.944 ( -0.858 -3.352 1.321) 3.704 23.026 ( -1.848 -3.173 -0.392) 3.692 28.138 ( 3.054 -1.960 2.784) 4.574 28.397 ( -0.885 -1.116 -1.607) 2.147 28.687 ( 20.926 -11.021 18.694) 30.147 29.671 ( -9.927 0.886 -12.830) 16.246 30.386 ( 6.006 -3.413 4.154) 8.061 30.656 ( -4.254 -1.212 10.581) 11.468 31.172 ( -6.877 3.341 -7.341) 10.599 31.474 ( 4.022 -1.678 -4.100) 5.984 31.839 ( -4.925 14.276 0.958) 15.132 33.474 ( 19.180 5.344 -27.990) 34.349 34.016 ( -14.899 -0.532 11.594) 18.887 34.557 ( 0.377 -8.325 11.896) 14.525 45.546 ( -0.969 4.987 2.701) 5.753 46.015 ( -1.006 5.191 -3.456) 6.317 88.694 ( 7.372 -1.311 -1.637) 7.664 88.873 ( 10.883 -0.533 0.743) 10.921 89.702 ( 1.267 8.625 6.451) 10.845 90.574 ( 0.391 3.469 -10.411) 10.981 ======================= Grid point 144 (65/196) ======================= q-point: (-0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 13.513 12.817 11.429) 21.852 2.145 ( 12.104 24.675 4.385) 27.832 2.605 ( -10.262 11.621 3.203) 15.831 3.006 ( 8.445 15.896 8.299) 19.821 3.174 ( 8.466 15.543 2.946) 17.943 3.560 ( 8.385 2.856 -7.484) 11.597 3.911 ( 3.168 -0.661 -1.427) 3.537 4.116 ( 7.620 10.178 8.041) 15.044 4.272 ( -2.921 -5.134 -0.642) 5.941 4.452 ( -5.384 -6.955 5.305) 10.271 4.915 ( -1.209 13.184 5.269) 14.249 5.554 ( 20.019 -0.915 -3.611) 20.362 5.762 ( -12.132 0.004 -5.483) 13.313 6.330 ( 9.488 0.330 6.694) 11.617 6.926 ( 1.490 -3.778 -7.660) 8.669 7.015 ( 1.027 8.230 -9.612) 12.696 7.500 ( -9.507 2.829 0.115) 9.920 7.740 ( -2.351 -3.338 6.627) 7.783 8.433 ( -3.104 3.114 -2.044) 4.849 8.990 ( 5.855 -5.210 -3.659) 8.649 9.625 ( 1.094 4.168 -0.924) 4.407 9.936 ( 16.923 1.562 -1.659) 17.076 10.276 ( -8.503 -3.395 -2.083) 9.389 10.709 ( 4.432 -1.679 -0.409) 4.757 11.740 ( -1.461 -2.430 -0.367) 2.859 11.876 ( -0.806 -3.877 -1.006) 4.086 14.896 ( -6.450 3.889 2.547) 7.951 15.395 ( -7.412 1.154 -1.607) 7.671 17.237 ( 0.050 -2.251 0.021) 2.251 17.543 ( 3.359 -3.330 0.533) 4.760 17.756 ( 0.687 0.247 0.995) 1.234 17.812 ( 1.834 2.482 -2.975) 4.287 18.300 ( 13.734 -0.226 0.502) 13.745 18.503 ( 16.842 -0.599 -1.286) 16.902 22.955 ( -2.908 -3.003 -2.071) 4.665 23.051 ( -1.040 -2.491 3.200) 4.186 28.218 ( 1.552 -1.947 2.534) 3.552 28.372 ( -1.415 -0.552 -2.341) 2.791 29.370 ( 3.442 -8.277 -0.981) 9.017 29.517 ( 18.482 -14.771 5.427) 24.274 30.520 ( 1.787 -2.069 7.129) 7.636 30.666 ( -4.666 -0.843 4.785) 6.737 30.921 ( -7.867 6.936 -7.860) 13.106 31.447 ( -4.260 1.141 -4.532) 6.324 31.709 ( 2.531 3.559 1.772) 4.713 33.445 ( 13.611 6.956 -26.702) 30.767 33.892 ( -9.493 2.468 10.883) 14.651 34.751 ( -0.324 -6.423 11.601) 13.264 45.493 ( -0.526 4.377 2.533) 5.085 45.918 ( -0.471 4.201 -2.773) 5.056 88.904 ( 16.063 -6.570 -3.398) 17.685 89.097 ( 14.511 -2.134 -0.210) 14.668 89.650 ( 1.434 8.742 6.038) 10.721 90.475 ( 5.646 5.292 -12.757) 14.920 ======================= Grid point 149 (66/196) ======================= q-point: ( 0.40 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 1.682 0.000 -6.171) 6.396 2.756 ( 16.359 0.000 -8.623) 18.492 2.771 ( -7.123 -0.000 7.326) 10.218 3.179 ( -5.958 -0.000 6.295) 8.668 3.732 ( -3.600 -0.000 -6.402) 7.344 4.033 ( 3.661 0.000 4.361) 5.694 4.104 ( -10.097 -0.000 3.223) 10.599 4.296 ( -4.019 -0.000 -0.540) 4.055 4.355 ( 8.177 0.000 -2.942) 8.690 4.458 ( -0.945 -0.000 -1.223) 1.545 5.402 ( 4.653 0.000 3.699) 5.944 5.824 ( -4.538 -0.000 2.074) 4.989 5.859 ( 7.160 0.000 -9.446) 11.853 6.181 ( -5.376 -0.000 -8.980) 10.466 6.594 ( -12.409 -0.000 6.424) 13.974 7.121 ( 8.328 0.000 12.985) 15.427 7.769 ( -6.532 -0.000 -2.658) 7.052 7.940 ( 5.979 0.000 -0.001) 5.979 8.497 ( 6.286 0.000 -0.745) 6.330 8.914 ( 11.582 0.000 0.149) 11.583 9.714 ( -14.590 -0.000 -7.759) 16.525 10.251 ( 4.619 0.000 -0.594) 4.657 10.308 ( 8.806 0.000 5.709) 10.495 10.436 ( -12.693 -0.000 -2.531) 12.943 11.700 ( -0.300 -0.000 0.569) 0.644 11.713 ( -1.879 -0.000 -1.116) 2.185 15.080 ( 11.829 0.000 1.238) 11.894 15.500 ( 9.184 0.000 -1.713) 9.342 17.282 ( -5.029 -0.000 4.555) 6.786 17.368 ( -0.121 -0.000 -1.042) 1.049 17.830 ( 0.756 0.000 0.041) 0.757 17.900 ( -0.024 -0.000 0.008) 0.025 18.117 ( -17.329 -0.000 -1.187) 17.370 18.400 ( -15.361 -0.000 0.540) 15.371 22.822 ( 3.446 0.000 -0.990) 3.586 22.845 ( -2.209 -0.000 0.989) 2.420 28.157 ( -7.122 -0.000 0.643) 7.151 28.235 ( -3.133 -0.000 -4.963) 5.869 28.246 ( -1.715 -0.000 0.568) 1.807 29.751 ( 12.376 0.000 1.436) 12.459 30.328 ( -7.015 -0.000 -4.710) 8.449 30.535 ( -5.964 -0.000 12.274) 13.646 31.105 ( 6.582 0.000 -3.595) 7.499 31.557 ( -3.700 -0.000 -2.327) 4.371 32.812 ( -0.792 -0.000 -1.193) 1.432 33.223 ( 12.952 0.000 -13.002) 18.353 33.976 ( -0.011 -0.000 2.828) 2.828 34.453 ( -11.438 -0.000 10.366) 15.437 45.672 ( 2.670 0.000 0.763) 2.777 46.245 ( 4.038 0.000 -0.179) 4.042 88.900 ( -8.442 -0.000 -3.457) 9.123 88.907 ( -11.843 -0.000 4.819) 12.786 89.853 ( -0.140 -0.000 -5.969) 5.971 90.827 ( -1.504 -0.000 5.451) 5.654 ======================= Grid point 151 (67/196) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 1.771 14.636 2.003) 14.878 2.700 ( -8.524 0.959 7.382) 11.317 2.986 ( 8.992 -7.845 -3.398) 12.407 3.133 ( -3.741 -1.030 4.269) 5.769 3.650 ( 0.807 4.388 -4.463) 6.311 3.891 ( -8.261 5.725 1.419) 10.151 4.084 ( -1.364 -0.694 2.523) 2.951 4.264 ( -0.864 1.193 -0.858) 1.704 4.319 ( -8.413 -2.109 4.729) 9.879 4.587 ( 20.773 6.141 -8.348) 23.215 5.427 ( -13.060 8.230 2.481) 15.635 5.638 ( -3.317 -4.744 1.420) 5.960 5.827 ( 4.486 4.255 -10.635) 12.302 6.284 ( 8.554 -8.516 -8.593) 14.816 6.490 ( -6.108 3.600 10.562) 12.721 7.297 ( -1.011 -4.462 8.610) 9.750 7.668 ( -1.283 1.470 -3.466) 3.977 7.997 ( 3.589 2.400 -0.836) 4.398 8.600 ( 7.182 0.279 -0.380) 7.197 9.113 ( 14.466 0.817 1.362) 14.553 9.409 ( -16.242 2.584 -5.907) 17.475 10.173 ( -13.535 0.145 -0.134) 13.536 10.364 ( 5.965 0.096 -2.803) 6.591 10.427 ( 2.165 -0.263 3.192) 3.866 11.689 ( -0.812 -0.450 -0.612) 1.112 11.699 ( -0.594 -1.078 -0.399) 1.295 15.242 ( 8.548 1.810 1.755) 8.912 15.609 ( 7.635 1.176 -2.105) 8.007 17.234 ( -3.936 0.445 2.945) 4.935 17.369 ( -0.750 -0.449 -0.124) 0.883 17.838 ( -5.233 -0.248 -0.612) 5.275 17.868 ( 1.257 -0.851 0.390) 1.567 17.962 ( -2.716 -1.707 -0.482) 3.244 18.168 ( -14.919 0.455 -0.228) 14.927 22.829 ( -0.460 -0.421 0.115) 0.634 22.874 ( 1.759 -2.076 -0.499) 2.766 28.068 ( -3.470 0.346 1.389) 3.754 28.190 ( 0.373 2.121 1.783) 2.796 28.270 ( -0.376 -3.897 0.137) 3.917 29.939 ( 10.013 -0.937 2.291) 10.314 30.158 ( -8.396 -0.082 -9.496) 12.675 30.558 ( -4.548 -0.108 14.457) 15.156 31.192 ( 7.666 -1.028 -4.628) 9.014 31.474 ( -5.091 -0.269 -2.327) 5.604 32.723 ( -0.580 9.819 -0.868) 9.874 33.329 ( 11.306 -3.509 -15.047) 19.145 34.005 ( -0.457 -1.130 4.118) 4.294 34.371 ( -10.354 -0.898 9.847) 14.317 45.703 ( 1.458 1.344 1.488) 2.480 46.272 ( 1.771 1.737 -1.675) 2.993 88.767 ( -8.644 0.344 2.045) 8.889 88.790 ( -4.558 -0.382 -1.579) 4.839 89.839 ( 2.672 1.942 0.110) 3.304 90.809 ( -3.242 0.566 0.550) 3.337 ======================= Grid point 152 (68/196) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 0.427 18.119 6.819) 19.364 2.622 ( -2.425 6.060 8.107) 10.408 3.073 ( -4.161 -2.543 6.302) 7.968 3.255 ( 9.132 -5.470 -3.054) 11.074 3.579 ( 3.452 8.138 2.305) 9.136 3.789 ( 1.980 5.555 -2.182) 6.288 4.040 ( -7.465 -2.463 -1.864) 8.078 4.229 ( 0.501 2.380 -0.958) 2.614 4.291 ( -1.591 -0.427 3.503) 3.871 4.708 ( 15.488 16.688 -3.795) 23.082 5.079 ( -13.515 4.227 4.633) 14.900 5.656 ( 7.044 10.169 -6.282) 13.874 5.828 ( -2.520 -9.127 -3.951) 10.259 6.340 ( -1.275 1.494 0.337) 1.993 6.537 ( 2.364 -5.935 1.293) 6.518 7.306 ( -8.818 -5.218 0.220) 10.249 7.658 ( 2.690 1.171 -1.103) 3.135 7.971 ( 0.172 5.179 0.061) 5.183 8.660 ( 0.784 0.981 0.274) 1.286 9.082 ( -11.785 2.705 -7.480) 14.218 9.368 ( 16.668 3.513 5.725) 17.970 10.005 ( -5.139 -0.022 -5.164) 7.285 10.426 ( -3.632 -0.196 0.929) 3.754 10.448 ( 5.650 0.575 1.366) 5.841 11.685 ( -0.300 -0.957 -0.867) 1.325 11.714 ( 0.401 -2.154 -0.515) 2.251 15.283 ( -0.593 3.642 1.932) 4.165 15.647 ( 1.520 1.858 -1.962) 3.100 17.200 ( -3.588 -0.829 1.863) 4.127 17.356 ( 0.358 0.709 0.121) 0.803 17.805 ( -0.427 -3.349 -0.080) 3.378 17.940 ( -4.765 1.239 -1.207) 5.070 17.972 ( 6.911 -1.031 -0.151) 6.989 17.990 ( -1.247 -0.755 0.475) 1.533 22.839 ( -0.299 -1.755 0.150) 1.786 22.916 ( 0.040 -2.847 -0.588) 2.908 28.063 ( 1.300 0.916 2.516) 2.977 28.243 ( 3.763 -1.447 7.104) 8.168 28.320 ( 0.851 -2.746 1.132) 3.090 29.931 ( -10.523 0.150 -9.785) 14.370 30.125 ( 9.169 -2.317 0.594) 9.476 30.603 ( -3.997 -0.133 14.030) 14.589 31.265 ( 3.487 -1.329 -6.454) 7.455 31.399 ( -1.742 -0.652 -1.859) 2.630 32.540 ( -2.065 14.754 -1.009) 14.932 33.426 ( 11.593 -3.702 -17.871) 21.621 34.049 ( -1.241 -1.148 6.056) 6.287 34.316 ( -8.260 -1.873 9.946) 13.064 45.701 ( -0.050 2.860 2.344) 3.698 46.230 ( -0.520 3.235 -3.108) 4.516 88.676 ( -3.411 0.299 0.270) 3.435 88.770 ( 2.602 0.072 -0.384) 2.631 89.875 ( 4.347 4.251 5.165) 7.978 90.732 ( -3.569 1.035 -4.190) 5.601 ======================= Grid point 153 (69/196) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 6.717 18.530 7.225) 20.993 2.623 ( 7.827 8.738 7.545) 13.948 3.057 ( -5.833 1.666 3.331) 6.921 3.359 ( 2.695 4.209 2.498) 5.587 3.586 ( 5.113 7.095 1.459) 8.867 3.769 ( 3.365 2.206 5.459) 6.782 3.912 ( -9.899 -2.979 -6.031) 11.969 4.140 ( 1.811 10.903 -5.563) 12.374 4.338 ( 3.073 -0.387 0.768) 3.191 4.508 ( -8.100 12.617 9.085) 17.531 5.153 ( 18.255 3.124 0.125) 18.521 5.564 ( 6.131 13.026 -2.039) 14.540 5.811 ( -9.502 -7.635 -6.200) 13.676 6.328 ( 2.061 2.450 3.868) 5.021 6.627 ( -0.876 -7.996 -4.948) 9.444 7.233 ( -7.139 -4.897 -3.215) 9.235 7.643 ( -0.170 2.688 -3.127) 4.127 7.882 ( -3.690 5.909 2.878) 7.537 8.601 ( -5.340 1.542 -0.157) 5.560 8.891 ( -4.301 -0.091 -5.111) 6.680 9.628 ( 17.979 5.249 7.042) 20.010 9.937 ( 4.030 2.434 -7.654) 8.986 10.333 ( -8.965 -1.245 -1.433) 9.164 10.559 ( 6.568 -0.515 2.631) 7.094 11.688 ( -0.306 -1.293 -1.333) 1.882 11.752 ( 0.775 -2.563 -0.445) 2.714 15.173 ( -8.092 4.465 2.355) 9.537 15.576 ( -5.464 1.966 -1.734) 6.060 17.177 ( -2.105 -1.478 0.112) 2.575 17.387 ( 2.886 -0.963 1.006) 3.204 17.800 ( -2.423 1.350 -1.592) 3.198 17.878 ( 0.224 -0.528 -0.150) 0.592 18.062 ( 9.248 -1.629 0.936) 9.437 18.179 ( 14.625 -2.290 0.061) 14.803 22.862 ( -0.869 -2.853 -0.051) 2.983 22.941 ( -1.037 -3.158 -0.209) 3.330 28.109 ( 2.746 -0.231 2.358) 3.627 28.333 ( -0.910 -3.940 -2.056) 4.536 28.513 ( 13.452 -3.196 17.126) 22.011 29.687 ( -9.844 0.352 -12.974) 16.290 30.299 ( 7.198 -3.052 3.495) 8.564 30.638 ( -4.610 -0.221 11.889) 12.753 31.207 ( -4.146 -0.006 -6.180) 7.442 31.432 ( 4.877 -1.441 -4.204) 6.598 32.267 ( -5.210 17.722 -1.547) 18.536 33.500 ( 10.834 -2.695 -19.556) 22.518 34.053 ( -3.912 2.364 7.016) 8.373 34.361 ( -2.090 -6.296 10.558) 12.469 45.665 ( -1.332 4.017 2.996) 5.186 46.136 ( -2.061 3.997 -3.958) 5.991 88.676 ( 4.189 -0.278 -1.365) 4.415 88.863 ( 9.424 -0.209 1.020) 9.481 89.916 ( 4.118 7.675 8.062) 11.868 90.628 ( -2.016 0.996 -7.733) 8.053 ======================= Grid point 154 (70/196) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 11.047 15.443 6.976) 20.229 2.702 ( 11.390 12.472 4.400) 17.454 2.846 ( -12.679 10.826 0.850) 16.693 3.301 ( -4.837 7.034 7.441) 11.325 3.533 ( 3.304 10.337 -2.396) 11.113 3.709 ( 0.132 6.465 -4.990) 8.168 3.877 ( 1.112 -0.676 2.081) 2.454 4.095 ( 3.445 -2.571 3.318) 5.430 4.329 ( -3.826 1.101 -2.042) 4.475 4.411 ( 0.993 5.222 6.760) 8.600 5.244 ( 0.149 12.540 2.378) 12.765 5.630 ( 19.796 3.996 4.125) 20.612 5.694 ( -5.917 -3.181 -9.831) 11.907 6.391 ( 6.640 3.453 6.593) 9.974 6.685 ( 0.957 -10.714 -8.276) 13.572 7.172 ( -0.735 0.730 -5.761) 5.853 7.546 ( -4.588 2.176 -3.756) 6.316 7.769 ( -5.771 4.424 6.498) 9.752 8.498 ( -3.883 1.778 -1.778) 4.626 8.869 ( 0.692 -4.040 -3.655) 5.492 9.772 ( 5.632 7.010 0.905) 9.038 10.008 ( 14.841 3.269 -0.447) 15.203 10.190 ( -10.324 -2.925 -2.667) 11.057 10.670 ( 3.932 -1.457 0.826) 4.274 11.688 ( -0.971 -1.568 -1.052) 2.123 11.791 ( 0.355 -2.586 -0.542) 2.666 15.003 ( -8.559 4.165 2.596) 9.867 15.430 ( -8.473 1.535 -1.691) 8.776 17.181 ( 0.015 -2.089 -1.213) 2.416 17.468 ( 3.404 -2.493 1.410) 4.448 17.768 ( 0.627 0.886 0.376) 1.149 17.870 ( 1.136 1.705 -1.946) 2.826 18.280 ( 14.581 -1.282 1.241) 14.690 18.450 ( 15.954 -3.145 -0.277) 16.264 22.874 ( -1.734 -3.060 -1.819) 3.959 22.974 ( -0.936 -3.377 1.865) 3.970 28.177 ( 2.396 -1.179 2.483) 3.646 28.336 ( -1.120 -2.250 -2.722) 3.705 29.006 ( 20.153 -11.085 20.722) 30.959 29.457 ( -6.056 0.264 -13.449) 14.752 30.460 ( 4.535 -2.613 5.528) 7.613 30.642 ( -5.549 -0.560 8.571) 10.226 31.071 ( -4.743 3.389 -7.996) 9.896 31.465 ( 1.681 -0.103 -6.347) 6.566 31.947 ( -5.825 15.169 -0.067) 16.249 33.509 ( 4.500 -0.899 -16.817) 17.432 34.011 ( 1.240 5.466 3.209) 6.458 34.540 ( 0.465 -9.098 11.512) 14.681 45.608 ( -1.885 4.381 3.178) 5.731 46.022 ( -2.228 3.764 -3.832) 5.815 88.791 ( 10.611 -2.647 -2.508) 11.220 89.059 ( 13.499 -0.966 1.614) 13.630 89.900 ( 1.363 10.403 7.067) 12.650 90.557 ( 2.816 1.313 -7.918) 8.506 ======================= Grid point 155 (71/196) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 10.077 12.468 4.720) 16.712 2.514 ( -5.918 12.450 -1.055) 13.825 2.617 ( -3.615 14.332 5.538) 15.785 3.213 ( -1.323 6.504 3.980) 7.739 3.429 ( 3.083 1.946 -9.080) 9.785 3.714 ( 10.591 7.508 0.786) 13.006 3.935 ( 2.278 -3.316 2.152) 4.562 4.141 ( -4.212 -0.691 -4.583) 6.263 4.309 ( -2.504 -6.120 7.482) 9.985 4.416 ( 3.862 6.858 4.450) 9.042 5.049 ( -4.395 9.328 -0.103) 10.312 5.554 ( -7.379 1.566 -1.125) 7.626 5.930 ( 18.514 5.111 3.032) 19.444 6.566 ( 11.959 -0.887 8.230) 14.544 6.806 ( 3.372 -8.714 -8.870) 12.884 7.111 ( 11.097 6.706 -10.749) 16.842 7.398 ( -9.276 2.697 0.391) 9.669 7.762 ( 0.685 -1.725 8.862) 9.054 8.413 ( -1.775 3.271 -2.051) 4.249 8.906 ( -2.717 -6.465 -4.258) 8.204 9.724 ( 3.234 8.170 -1.397) 8.898 10.012 ( -10.268 -5.183 -4.690) 12.421 10.245 ( 11.875 2.702 4.953) 13.147 10.704 ( -1.588 -1.158 -1.486) 2.464 11.686 ( -1.511 -1.895 -0.133) 2.428 11.819 ( -0.374 -2.465 -0.667) 2.581 14.870 ( -4.954 3.133 1.787) 6.128 15.286 ( -6.746 0.543 -1.493) 6.930 17.205 ( 0.465 -2.403 -1.567) 2.906 17.564 ( 3.513 -2.464 1.185) 4.452 17.778 ( -0.219 0.860 1.794) 2.002 17.862 ( 3.512 1.447 -2.259) 4.419 18.514 ( 13.950 0.074 0.826) 13.975 18.693 ( 11.422 -2.084 -0.801) 11.638 22.865 ( -1.383 -2.237 -3.349) 4.258 23.020 ( -1.710 -3.112 3.920) 5.289 28.234 ( 0.814 -1.238 1.556) 2.148 28.328 ( -0.415 -1.161 -1.536) 1.970 29.243 ( -1.973 0.273 -11.846) 12.012 29.711 ( 19.495 -16.786 15.743) 30.161 30.563 ( -1.453 -1.049 8.593) 8.777 30.614 ( -3.671 -0.363 0.990) 3.819 30.856 ( -4.206 6.745 -8.272) 11.472 31.364 ( -5.459 2.857 -4.247) 7.484 31.792 ( 0.745 4.192 0.953) 4.363 33.418 ( -1.586 1.005 -11.626) 11.777 34.008 ( 8.363 6.977 -2.917) 11.275 34.734 ( -1.569 -7.555 12.166) 14.407 45.552 ( -1.428 3.761 2.809) 4.907 45.932 ( -0.809 2.535 -2.692) 3.785 89.014 ( 13.371 -6.775 -3.516) 15.397 89.269 ( 10.024 0.013 2.196) 10.262 89.812 ( -0.473 8.287 2.771) 8.751 90.563 ( 8.276 3.694 -5.411) 10.555 ======================= Grid point 161 (72/196) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -7.789 -0.000 10.099) 12.754 2.853 ( 7.360 0.000 8.995) 11.623 2.994 ( 6.568 -0.000 -3.986) 7.682 3.068 ( -6.149 0.000 5.707) 8.389 3.755 ( 10.937 -0.000 -7.316) 13.158 3.845 ( -1.548 -0.000 2.319) 2.788 4.000 ( -7.685 -0.000 -1.458) 7.822 4.216 ( -6.319 -0.000 7.710) 9.969 4.302 ( 1.891 -0.000 -1.609) 2.483 4.927 ( 27.371 0.000 -10.319) 29.251 5.204 ( -23.025 0.000 3.477) 23.286 5.614 ( 0.638 -0.000 3.422) 3.481 5.837 ( 3.566 -0.000 -13.026) 13.506 6.287 ( 4.615 -0.000 -7.167) 8.524 6.532 ( -2.355 -0.000 12.184) 12.410 7.224 ( -9.762 -0.000 3.007) 10.215 7.674 ( 2.613 -0.000 -1.157) 2.858 8.040 ( 0.829 -0.000 -1.375) 1.605 8.671 ( 0.805 -0.000 0.533) 0.965 9.119 ( -13.505 -0.000 -7.945) 15.669 9.414 ( 17.441 -0.000 5.650) 18.333 10.005 ( -3.968 -0.000 -4.997) 6.381 10.425 ( -4.211 -0.000 0.670) 4.264 10.457 ( 5.495 -0.000 1.836) 5.793 11.677 ( -0.477 -0.000 -0.883) 1.004 11.683 ( 0.798 -0.000 -0.278) 0.845 15.332 ( -0.684 -0.000 1.879) 2.000 15.673 ( 1.310 -0.000 -1.941) 2.342 17.189 ( -3.934 -0.000 1.470) 4.200 17.373 ( 0.438 -0.000 0.124) 0.456 17.752 ( 0.155 -0.000 0.270) 0.312 17.958 ( 1.427 -0.000 0.709) 1.594 17.960 ( 8.868 -0.000 -1.338) 8.968 17.976 ( -9.599 -0.000 -0.735) 9.627 22.815 ( -0.706 -0.000 -0.139) 0.720 22.877 ( 0.617 -0.000 -0.622) 0.876 28.084 ( 1.540 -0.000 3.519) 3.841 28.212 ( -0.587 -0.000 -0.314) 0.666 28.287 ( 4.192 -0.000 7.247) 8.372 29.932 ( -10.491 -0.000 -10.008) 14.499 30.094 ( 9.115 -0.000 0.627) 9.136 30.603 ( -3.981 -0.000 14.338) 14.880 31.245 ( 4.456 -0.000 -6.864) 8.184 31.390 ( -2.312 -0.000 -1.683) 2.860 32.765 ( -0.654 -0.000 -2.261) 2.353 33.342 ( 8.240 -0.000 -13.954) 16.205 34.033 ( 0.094 -0.000 5.870) 5.870 34.298 ( -7.516 -0.000 7.826) 10.851 45.739 ( 0.121 -0.000 2.323) 2.326 46.273 ( -0.697 -0.000 -3.153) 3.229 88.681 ( -3.452 -0.000 0.186) 3.457 88.771 ( 2.639 -0.000 -0.353) 2.663 89.931 ( 5.291 -0.000 5.299) 7.488 90.745 ( -4.252 -0.000 -3.515) 5.517 ======================= Grid point 163 (73/196) ======================= q-point: (-0.40 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 1.523 3.518 6.924) 7.915 2.849 ( 3.533 14.739 6.937) 16.668 3.046 ( -0.775 -1.025 5.182) 5.339 3.234 ( 4.381 -12.611 4.229) 14.004 3.769 ( -7.192 -1.613 -3.318) 8.083 3.823 ( 8.584 9.752 2.162) 13.170 3.941 ( 2.010 2.996 -6.821) 7.716 4.247 ( 0.790 -5.075 5.537) 7.553 4.294 ( 0.533 2.357 -2.381) 3.393 4.853 ( -17.753 9.432 3.904) 20.478 5.266 ( 28.887 4.319 -5.769) 29.772 5.604 ( -10.061 -6.933 0.027) 12.219 5.799 ( 5.867 4.941 -7.538) 10.754 6.275 ( -1.078 -4.045 -8.544) 9.514 6.600 ( 1.721 3.013 11.276) 11.798 7.102 ( -10.533 -3.824 2.161) 11.412 7.691 ( 1.300 0.966 -2.575) 3.042 7.996 ( -3.699 2.392 -0.579) 4.443 8.626 ( -6.276 0.485 0.963) 6.368 8.889 ( -8.465 -0.070 -6.797) 10.856 9.731 ( 19.597 2.284 6.545) 20.787 9.984 ( 6.662 1.048 -7.124) 9.810 10.315 ( -9.912 -0.265 -1.635) 10.049 10.549 ( 4.134 -0.197 3.558) 5.458 11.667 ( -0.149 -0.373 -1.269) 1.331 11.709 ( 1.840 -0.805 -0.051) 2.009 15.255 ( -9.029 1.712 2.255) 9.463 15.616 ( -5.889 0.913 -1.897) 6.254 17.149 ( -2.228 -0.572 -0.266) 2.315 17.380 ( 0.940 0.118 0.610) 1.127 17.824 ( 4.403 0.156 -0.955) 4.508 17.862 ( -2.565 -0.162 0.091) 2.572 18.026 ( 7.113 -0.949 2.197) 7.505 18.132 ( 14.058 -1.091 -2.042) 14.247 22.809 ( -0.691 -1.115 -0.596) 1.441 22.880 ( -0.897 -1.376 -0.241) 1.660 28.126 ( 2.432 1.399 1.951) 3.418 28.229 ( 0.124 -3.320 -0.721) 3.400 28.475 ( 10.146 -0.473 14.963) 18.085 29.691 ( -9.862 0.030 -12.935) 16.266 30.243 ( 7.649 -1.202 3.271) 8.405 30.638 ( -4.573 0.103 12.391) 13.209 31.197 ( -3.150 -0.372 -6.030) 6.814 31.406 ( 4.991 -0.558 -4.133) 6.504 32.661 ( -1.582 10.787 -3.275) 11.383 33.379 ( 5.669 -5.118 -13.714) 15.697 34.088 ( 0.334 0.211 7.429) 7.439 34.266 ( -4.227 -1.267 6.592) 7.932 45.739 ( -1.544 1.531 3.170) 3.844 46.208 ( -2.739 1.500 -4.299) 5.313 88.673 ( 3.129 0.000 -1.416) 3.434 88.861 ( 8.754 -0.040 1.200) 8.836 90.064 ( 7.311 3.298 9.515) 12.444 90.636 ( -4.552 -0.059 -7.148) 8.474 ======================= Grid point 164 (74/196) ======================= q-point: (-0.30 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 7.065 11.225 3.773) 13.789 2.776 ( -3.693 2.891 5.447) 7.188 3.097 ( 3.495 3.127 3.278) 5.722 3.385 ( -6.098 -2.334 8.839) 10.989 3.676 ( -4.196 -3.665 -10.101) 11.535 3.776 ( 2.127 9.793 1.007) 10.072 3.925 ( 6.753 4.505 2.823) 8.595 4.207 ( -1.302 5.808 -5.330) 7.990 4.357 ( 1.182 -1.462 -1.545) 2.433 4.544 ( -9.803 7.175 7.019) 14.030 5.490 ( -15.158 -4.778 -2.578) 16.101 5.554 ( 15.860 7.120 0.680) 17.398 5.802 ( 14.671 4.953 -3.015) 15.776 6.297 ( 3.106 -9.603 -9.594) 13.925 6.642 ( 1.727 6.659 9.188) 11.478 7.085 ( -1.895 -5.838 3.758) 7.197 7.631 ( -1.907 3.404 -5.991) 7.149 7.876 ( -7.048 3.052 1.471) 7.820 8.525 ( -5.398 0.479 -0.398) 5.433 8.785 ( -2.286 -2.445 -5.023) 6.036 9.954 ( 9.393 6.520 0.623) 11.451 10.072 ( 7.729 1.365 -0.087) 7.849 10.139 ( -5.914 -1.157 -2.647) 6.582 10.633 ( 2.277 -1.352 2.321) 3.521 11.660 ( -0.545 -0.667 -1.263) 1.528 11.749 ( 1.927 -0.778 -0.094) 2.081 15.093 ( -10.328 2.570 2.896) 11.030 15.467 ( -9.191 1.232 -2.176) 9.525 17.137 ( -0.102 -1.252 -1.645) 2.070 17.419 ( 2.357 -1.322 1.241) 2.974 17.801 ( -0.047 1.553 0.363) 1.596 17.896 ( 2.468 0.357 -1.258) 2.793 18.241 ( 15.251 -1.476 2.630) 15.546 18.366 ( 15.139 -2.911 -1.829) 15.524 22.810 ( -0.748 -1.782 -1.564) 2.486 22.892 ( -1.030 -2.705 0.950) 3.047 28.164 ( 2.493 0.294 1.628) 2.992 28.264 ( 0.022 -3.074 -1.808) 3.567 28.827 ( 15.789 -3.766 19.955) 25.723 29.462 ( -7.183 0.035 -13.524) 15.313 30.398 ( 6.357 -1.901 4.793) 8.185 30.640 ( -5.909 0.243 9.914) 11.544 31.107 ( -2.908 0.202 -6.046) 6.712 31.451 ( 4.546 -0.640 -6.536) 7.987 32.400 ( -4.779 17.921 -3.540) 18.882 33.419 ( 2.304 -5.979 -12.819) 14.331 34.126 ( 2.217 3.161 4.126) 5.651 34.333 ( -0.847 -6.202 9.400) 11.294 45.702 ( -2.939 2.709 3.707) 5.451 46.101 ( -3.636 2.224 -4.672) 6.324 88.751 ( 8.152 -0.802 -2.233) 8.490 89.043 ( 13.042 -0.360 2.353) 13.257 90.158 ( 4.300 9.251 8.598) 13.341 90.546 ( -0.249 -2.080 -6.117) 6.466 ======================= Grid point 165 (75/196) ======================= q-point: (-0.20 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 4.893 11.103 2.578) 12.404 2.674 ( -12.380 2.086 2.301) 12.764 3.043 ( -0.879 12.935 1.004) 13.004 3.316 ( -8.558 1.851 8.346) 12.096 3.490 ( -4.296 3.038 -12.408) 13.478 3.822 ( 8.202 1.089 -0.707) 8.304 3.949 ( -0.941 4.862 4.886) 6.957 4.114 ( 1.390 0.569 -3.402) 3.719 4.261 ( -5.216 2.087 -1.321) 5.771 4.525 ( 1.769 1.091 4.082) 4.581 5.219 ( -15.463 2.573 -6.085) 16.815 5.599 ( -0.475 2.866 5.704) 6.401 6.035 ( 15.017 1.427 1.852) 15.198 6.488 ( 12.555 -10.374 -6.665) 17.597 6.649 ( 2.488 5.279 8.780) 10.543 7.237 ( 12.648 -0.958 -0.101) 12.685 7.457 ( -7.082 4.683 -6.986) 10.995 7.771 ( -4.460 1.684 4.697) 6.692 8.468 ( -0.270 0.606 -1.705) 1.830 8.769 ( -2.906 -4.061 -3.539) 6.121 9.894 ( -15.076 -3.522 -4.302) 16.068 9.944 ( 4.970 8.398 -1.944) 9.951 10.321 ( 12.611 2.718 5.262) 13.932 10.667 ( -1.773 -1.772 -0.127) 2.510 11.652 ( -0.633 -0.792 -0.583) 1.169 11.781 ( 1.518 -0.458 -0.260) 1.607 14.949 ( -6.906 2.732 2.885) 7.967 15.304 ( -7.823 0.843 -2.383) 8.221 17.150 ( 1.125 -1.763 -2.424) 3.202 17.500 ( 3.610 -2.412 1.667) 4.651 17.799 ( 0.505 1.068 1.696) 2.066 17.906 ( 2.365 1.606 -1.746) 3.350 18.504 ( 14.848 -0.729 1.922) 14.990 18.607 ( 11.724 -4.012 -1.294) 12.459 22.811 ( 0.008 -1.785 -2.659) 3.202 22.934 ( -0.502 -3.393 2.569) 4.286 28.209 ( 1.437 -0.695 0.569) 1.695 28.286 ( 0.574 -1.921 -1.112) 2.292 29.232 ( 2.983 -1.483 -2.072) 3.923 29.383 ( 13.140 -7.910 10.372) 18.515 30.539 ( 4.150 -1.296 5.165) 6.751 30.603 ( -6.945 0.170 7.265) 10.052 31.005 ( -1.401 3.303 -8.734) 9.442 31.435 ( 0.226 1.737 -8.011) 8.200 32.058 ( -6.076 16.787 -0.904) 17.876 33.393 ( -2.258 -3.259 -10.464) 11.190 34.157 ( 7.383 4.421 -1.649) 8.762 34.509 ( -0.656 -9.116 12.571) 15.542 45.642 ( -3.507 3.087 3.704) 5.962 45.989 ( -3.001 1.846 -4.049) 5.368 88.898 ( 10.484 -2.742 -2.445) 11.109 89.269 ( 13.180 -0.000 2.933) 13.502 90.050 ( -4.197 9.722 -0.596) 10.606 90.621 ( 8.485 0.816 2.834) 8.983 ======================= Grid point 166 (76/196) ======================= q-point: (-0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -14.285 2.866 0.497) 14.578 2.539 ( 2.890 8.246 -0.828) 8.777 2.791 ( -7.979 13.798 2.130) 16.081 3.191 ( -6.718 3.609 -4.520) 8.865 3.382 ( 1.182 -1.953 -6.667) 7.047 3.909 ( -0.663 2.842 0.401) 2.946 3.941 ( 6.161 -0.281 1.189) 6.281 4.079 ( 0.956 -0.829 -5.974) 6.106 4.249 ( -1.670 -3.544 6.857) 7.897 4.552 ( 0.554 2.248 4.000) 4.622 4.954 ( -10.554 -1.243 -7.702) 13.124 5.571 ( -3.134 5.630 9.024) 11.088 6.171 ( 3.719 0.675 1.362) 4.017 6.718 ( 0.131 -1.368 7.759) 7.880 6.776 ( 14.386 -5.042 -2.705) 15.482 7.239 ( -2.865 4.173 -8.610) 9.988 7.408 ( 10.130 4.623 -1.576) 11.246 7.829 ( 4.942 -4.015 8.063) 10.274 8.460 ( 3.410 4.469 -0.667) 5.661 8.714 ( -8.199 -4.356 -2.866) 9.716 9.726 ( -10.423 -6.814 -5.042) 13.435 9.889 ( 4.496 8.732 -0.947) 9.867 10.453 ( 3.254 1.593 4.045) 5.430 10.639 ( -1.651 -0.079 -0.543) 1.740 11.654 ( -0.191 -0.677 0.207) 0.733 11.801 ( 0.962 -0.098 -0.444) 1.064 14.858 ( -3.177 2.557 1.876) 4.489 15.194 ( -3.941 -0.167 -2.057) 4.449 17.172 ( 1.046 -1.838 -2.677) 3.411 17.600 ( 3.663 -2.191 1.767) 4.620 17.795 ( -1.201 1.300 1.717) 2.466 17.912 ( 2.465 1.182 -1.060) 2.932 18.714 ( 10.774 0.292 1.387) 10.866 18.771 ( 4.402 -3.170 -0.699) 5.470 22.819 ( 1.460 -1.094 -3.226) 3.707 22.990 ( -0.773 -2.542 3.937) 4.750 28.222 ( -0.179 -0.843 -1.838) 2.029 28.323 ( 1.302 -1.038 1.486) 2.232 29.173 ( 2.956 0.531 -10.086) 10.524 29.890 ( 12.584 -9.296 13.486) 20.655 30.539 ( -7.619 0.312 6.791) 10.210 30.600 ( 1.244 0.665 -1.844) 2.322 30.851 ( 0.023 5.662 -6.623) 8.713 31.305 ( -4.280 3.856 -3.306) 6.642 31.858 ( -1.455 5.951 0.886) 6.190 33.302 ( -3.071 -1.409 -9.326) 9.919 34.197 ( 9.123 5.483 -5.075) 11.792 34.697 ( -2.726 -7.707 13.887) 16.115 45.581 ( -2.964 2.464 3.147) 4.976 45.918 ( -0.995 0.435 -2.623) 2.839 89.084 ( 9.570 -5.153 -2.696) 11.198 89.437 ( 6.961 3.151 3.298) 8.323 89.852 ( -5.226 4.940 -3.534) 8.012 90.752 ( 8.983 5.480 5.291) 11.778 ======================= Grid point 173 (77/196) ======================= q-point: (-0.40 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -0.005 -0.000 6.048) 6.048 3.038 ( 1.689 0.000 -0.064) 1.690 3.039 ( -6.580 -0.000 2.961) 7.216 3.261 ( 5.918 0.000 14.693) 15.840 3.617 ( -3.191 -0.000 -9.912) 10.413 3.953 ( -0.373 -0.000 -3.419) 3.439 4.050 ( 8.917 0.000 2.588) 9.285 4.252 ( 2.458 0.000 0.051) 2.458 4.289 ( -0.333 -0.000 -4.511) 4.523 4.687 ( -15.929 -0.000 3.739) 16.362 5.375 ( -13.109 -0.000 1.478) 13.192 5.684 ( 22.009 0.000 -4.684) 22.502 5.879 ( 5.726 0.000 -2.959) 6.446 6.138 ( 0.791 0.000 -9.668) 9.701 6.786 ( 7.364 0.000 11.928) 14.018 6.961 ( -7.588 -0.000 6.141) 9.762 7.680 ( 0.681 0.000 -5.717) 5.757 7.914 ( -7.935 -0.000 -0.948) 7.991 8.531 ( -6.948 -0.000 0.738) 6.987 8.752 ( -2.966 -0.000 -6.166) 6.842 10.070 ( 9.240 0.000 -6.811) 11.479 10.074 ( 9.010 0.000 6.528) 11.127 10.116 ( -6.217 -0.000 -2.046) 6.546 10.613 ( 1.131 0.000 3.026) 3.231 11.651 ( -0.389 -0.000 -1.217) 1.278 11.741 ( 2.740 0.000 0.060) 2.740 15.126 ( -11.076 -0.000 3.124) 11.508 15.485 ( -9.421 -0.000 -2.511) 9.750 17.120 ( -0.137 -0.000 -1.731) 1.736 17.402 ( 1.610 0.000 0.936) 1.863 17.828 ( -0.607 -0.000 0.328) 0.690 17.897 ( 3.485 0.000 -0.646) 3.544 18.220 ( 15.697 0.000 3.368) 16.054 18.325 ( 14.742 0.000 -2.981) 15.040 22.788 ( -0.196 -0.000 -1.338) 1.352 22.853 ( -1.263 -0.000 0.504) 1.360 28.189 ( 2.463 0.000 1.397) 2.831 28.201 ( 0.614 0.000 -1.392) 1.521 28.783 ( 14.266 0.000 19.295) 23.996 29.461 ( -7.456 -0.000 -13.461) 15.388 30.373 ( 6.884 0.000 4.631) 8.297 30.645 ( -5.874 -0.000 10.295) 11.853 31.107 ( -2.523 -0.000 -5.566) 6.111 31.442 ( 5.119 0.000 -6.496) 8.271 32.694 ( -0.743 -0.000 -5.413) 5.464 33.288 ( -0.050 -0.000 -10.742) 10.742 34.164 ( 0.557 0.000 10.448) 10.463 34.254 ( -0.571 -0.000 2.867) 2.923 45.738 ( -3.331 -0.000 3.911) 5.137 46.130 ( -4.179 -0.000 -4.994) 6.512 88.742 ( 7.490 0.000 -2.194) 7.805 89.039 ( 12.888 0.000 2.604) 13.149 90.311 ( 10.725 0.000 13.543) 17.275 90.488 ( -6.311 -0.000 -9.939) 11.773 ======================= Grid point 174 (78/196) ======================= q-point: (-0.30 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -8.549 -0.740 4.780) 9.822 2.832 ( -8.230 7.570 2.356) 11.428 3.111 ( -1.945 -3.999 0.125) 4.449 3.401 ( 1.300 3.770 7.758) 8.723 3.530 ( -1.449 -1.436 -10.725) 10.917 3.891 ( 0.198 4.427 0.425) 4.451 4.110 ( 3.299 6.966 3.237) 8.360 4.186 ( -2.460 3.009 -7.234) 8.212 4.300 ( -2.591 -2.021 -4.309) 5.419 4.493 ( -9.232 -1.610 3.581) 10.033 5.227 ( -10.658 -0.294 -0.498) 10.674 5.666 ( -7.684 1.443 -4.761) 9.154 5.989 ( 6.127 -3.181 0.794) 6.949 6.317 ( 18.197 -2.463 0.712) 18.377 6.855 ( 2.633 9.277 9.110) 13.266 7.094 ( 7.284 -8.147 8.491) 13.839 7.618 ( 2.250 5.556 -10.307) 11.923 7.790 ( -6.152 -0.711 -0.292) 6.200 8.457 ( -2.383 -0.740 -0.536) 2.552 8.699 ( -1.264 -1.436 -4.359) 4.761 9.838 ( -17.494 -0.995 -3.446) 17.858 10.116 ( 6.160 4.153 -4.782) 8.836 10.370 ( 12.826 0.985 7.464) 14.872 10.620 ( -3.185 -1.423 0.644) 3.547 11.642 ( 0.061 -0.146 -0.636) 0.656 11.783 ( 3.015 0.276 -0.102) 3.030 14.999 ( -8.149 1.042 4.097) 9.180 15.323 ( -8.267 0.440 -3.311) 8.916 17.119 ( 1.521 -0.620 -2.690) 3.151 17.452 ( 3.023 -1.103 1.414) 3.515 17.828 ( 0.551 0.900 0.983) 1.442 17.934 ( 2.437 0.490 -0.327) 2.507 18.488 ( 15.216 -0.227 2.394) 15.405 18.519 ( 11.949 -2.347 -2.132) 12.363 22.782 ( 0.902 -0.410 -2.243) 2.452 22.862 ( 0.046 -1.779 1.880) 2.589 28.201 ( 1.248 0.021 -1.180) 1.717 28.243 ( 1.915 -1.196 0.482) 2.309 29.174 ( 15.399 -1.770 19.209) 24.683 29.290 ( -1.981 -0.974 -10.614) 10.842 30.509 ( 5.932 -0.710 4.168) 7.284 30.615 ( -7.158 0.420 9.377) 11.804 31.043 ( 0.117 0.379 -6.644) 6.656 31.453 ( 3.507 0.134 -8.443) 9.144 32.521 ( -3.373 15.097 -6.154) 16.648 33.241 ( -3.410 -7.366 -9.316) 12.356 34.237 ( 3.400 2.159 4.597) 6.112 34.319 ( -0.138 -4.928 9.013) 10.273 45.699 ( -4.759 1.191 4.299) 6.523 46.022 ( -4.344 0.670 -4.901) 6.584 88.857 ( 9.220 -0.685 -2.094) 9.480 89.269 ( 14.299 0.007 3.487) 14.718 90.262 ( -7.251 5.531 -8.693) 12.599 90.611 ( 11.760 -1.100 13.563) 17.985 ======================= Grid point 175 (79/196) ======================= q-point: (-0.20 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -18.691 2.365 1.580) 18.906 2.682 ( -9.858 0.193 -0.406) 9.868 3.042 ( -6.545 5.121 0.247) 8.314 3.335 ( -2.404 7.440 -2.252) 8.137 3.390 ( -6.430 2.633 -4.009) 8.022 3.900 ( 2.053 -0.556 -0.598) 2.210 4.006 ( -1.218 3.847 -4.687) 6.185 4.123 ( 0.399 3.405 -2.007) 3.973 4.218 ( -1.530 0.347 1.486) 2.161 4.498 ( -5.911 -7.461 3.115) 10.016 4.974 ( -12.754 5.644 -7.651) 15.907 5.589 ( -6.126 -6.349 1.447) 8.941 6.117 ( 3.411 -1.916 4.349) 5.850 6.591 ( 6.805 -4.286 8.894) 11.991 6.863 ( 6.314 7.346 3.997) 10.478 7.281 ( -7.812 -3.191 4.525) 9.575 7.538 ( 16.074 6.456 -13.085) 21.709 7.761 ( -0.834 -1.340 3.753) 4.071 8.510 ( 9.816 -0.500 -1.339) 9.920 8.644 ( -6.435 -1.179 -1.949) 6.827 9.596 ( -13.354 -3.220 -3.367) 14.144 10.087 ( 3.447 6.117 -3.468) 7.831 10.487 ( -3.036 1.263 1.455) 3.596 10.624 ( 3.060 -1.182 4.020) 5.188 11.650 ( 1.338 0.182 0.072) 1.352 11.819 ( 2.963 1.095 -0.321) 3.175 14.919 ( -4.408 1.907 4.250) 6.413 15.195 ( -4.487 0.195 -3.460) 5.670 17.136 ( 2.053 -0.952 -3.216) 3.932 17.537 ( 3.639 -2.350 1.662) 4.640 17.826 ( -0.527 1.180 1.427) 1.925 17.951 ( 2.046 1.487 -0.573) 2.594 18.660 ( 5.597 -3.607 -1.667) 6.864 18.726 ( 10.837 -0.396 2.522) 11.133 22.796 ( 2.627 -0.590 -3.009) 4.038 22.925 ( 1.736 -2.280 3.590) 4.593 28.207 ( 0.715 -0.352 -2.110) 2.255 28.292 ( 1.994 -1.116 1.188) 2.576 29.186 ( 2.575 0.479 -9.589) 9.940 29.653 ( 16.484 -7.100 19.489) 26.494 30.545 ( -6.234 0.058 4.139) 7.484 30.631 ( 2.420 0.990 6.165) 6.697 30.985 ( 2.599 3.090 -10.819) 11.548 31.402 ( -0.051 2.668 -8.641) 9.043 32.177 ( -6.692 18.230 -2.642) 19.599 33.205 ( -4.723 -6.789 -9.533) 12.620 34.292 ( 6.579 2.163 -2.625) 7.406 34.488 ( -1.189 -7.541 16.292) 17.992 45.635 ( -5.254 1.591 4.153) 6.884 45.925 ( -3.127 0.156 -3.966) 5.053 88.997 ( 8.781 -1.963 -1.580) 9.135 89.493 ( 12.158 1.227 3.646) 12.752 89.993 ( -10.208 5.125 -8.912) 14.487 90.881 ( 11.812 4.285 15.084) 19.632 ======================= Grid point 176 (80/196) ======================= q-point: (-0.10 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -18.750 -2.138 -1.741) 18.952 2.474 ( -14.209 -1.908 -7.123) 16.009 2.820 ( -9.115 12.400 4.438) 16.017 3.158 ( -3.288 6.069 -5.281) 8.691 3.286 ( -5.112 -3.867 -2.231) 6.788 3.862 ( -3.605 0.108 -3.750) 5.203 4.030 ( 3.686 -4.473 -7.052) 9.128 4.059 ( 3.461 4.109 -1.198) 5.504 4.285 ( 2.020 -1.564 8.199) 8.588 4.507 ( -9.446 -6.986 4.896) 12.728 4.690 ( -9.656 -0.371 -10.130) 13.999 5.597 ( -5.140 -3.611 4.105) 7.504 6.184 ( -1.054 0.733 6.224) 6.355 6.720 ( -4.711 -0.194 5.567) 7.295 6.902 ( 5.241 -1.366 -3.189) 6.285 7.178 ( -4.348 -0.148 4.100) 5.978 7.538 ( 3.315 5.148 -9.281) 11.119 7.878 ( -1.350 -5.266 6.926) 8.805 8.491 ( -8.278 2.074 1.768) 8.715 8.739 ( 20.029 2.897 -1.181) 20.272 9.503 ( -3.506 -5.526 -3.551) 7.445 10.040 ( 4.157 5.580 -1.642) 7.149 10.375 ( -9.178 -1.283 -2.058) 9.492 10.719 ( 4.340 1.844 4.436) 6.474 11.673 ( 2.056 0.808 0.560) 2.279 11.838 ( 2.554 1.938 -0.489) 3.243 14.871 ( -2.117 2.592 3.282) 4.687 15.139 ( -0.138 -0.521 -2.855) 2.905 17.153 ( 1.737 -0.950 -3.289) 3.839 17.634 ( 3.066 -2.612 1.739) 4.387 17.796 ( -2.567 1.483 1.098) 3.161 17.950 ( 0.949 1.570 -0.221) 1.848 18.726 ( -2.507 -4.101 -0.939) 4.897 18.863 ( 5.219 1.080 2.440) 5.862 22.828 ( 3.776 -0.383 -3.521) 5.177 23.011 ( 2.388 -0.544 5.406) 5.935 28.200 ( 0.379 0.052 -2.250) 2.282 28.345 ( 1.584 -1.067 1.629) 2.510 29.198 ( 7.797 0.580 -7.146) 10.592 30.051 ( 6.501 -0.049 8.132) 10.412 30.479 ( -6.329 -0.264 5.297) 8.257 30.617 ( 1.165 3.648 -5.662) 6.835 30.890 ( 2.155 3.711 -4.954) 6.554 31.291 ( -1.437 3.584 -1.598) 4.179 31.910 ( -4.544 8.047 0.621) 9.262 33.144 ( -2.911 -5.280 -11.015) 12.557 34.328 ( 5.597 2.874 -4.535) 7.756 34.684 ( -2.220 -5.736 17.973) 18.996 45.571 ( -4.568 0.991 3.513) 5.847 45.877 ( -0.899 -1.413 -2.532) 3.036 89.136 ( 6.542 -3.046 -1.326) 7.338 89.583 ( -0.453 7.168 -0.338) 7.191 89.762 ( -4.547 -0.068 -3.096) 5.501 91.036 ( 6.287 10.201 13.351) 17.940 ======================= Grid point 184 (81/196) ======================= q-point: (-0.30 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -16.084 -0.000 4.616) 16.733 2.621 ( -21.078 -0.000 -0.139) 21.078 3.105 ( 2.010 0.000 -1.721) 2.646 3.392 ( -4.268 -0.000 -11.017) 11.815 3.497 ( -3.845 -0.000 5.714) 6.887 3.902 ( -1.271 -0.000 -1.350) 1.854 4.100 ( -3.413 -0.000 -11.285) 11.790 4.198 ( -0.586 -0.000 -5.323) 5.355 4.246 ( 0.731 0.000 8.075) 8.108 4.284 ( -14.897 -0.000 3.057) 15.207 5.174 ( -0.754 -0.000 -0.703) 1.031 5.367 ( -18.569 -0.000 -10.076) 21.127 6.103 ( 7.271 0.000 6.556) 9.790 6.538 ( 5.870 0.000 10.510) 12.039 7.030 ( -0.461 -0.000 9.273) 9.284 7.154 ( 0.952 0.000 4.308) 4.411 7.683 ( 8.841 0.000 -14.429) 16.922 7.711 ( -0.406 -0.000 1.596) 1.647 8.491 ( 11.538 0.000 -1.342) 11.616 8.631 ( -4.326 -0.000 -2.267) 4.884 9.557 ( -14.548 -0.000 -2.381) 14.741 10.170 ( 2.542 0.000 -5.325) 5.901 10.513 ( -8.663 -0.000 -1.250) 8.753 10.597 ( 8.401 0.000 8.298) 11.808 11.654 ( 1.973 0.000 0.091) 1.975 11.836 ( 3.723 0.000 -0.329) 3.737 14.945 ( -4.804 -0.000 5.664) 7.427 15.199 ( -4.588 -0.000 -4.247) 6.252 17.124 ( 2.479 0.000 -3.412) 4.217 17.503 ( 3.312 0.000 1.468) 3.623 17.845 ( -0.225 -0.000 0.720) 0.754 17.972 ( 2.074 0.000 0.292) 2.094 18.607 ( 5.099 0.000 -2.389) 5.631 18.720 ( 11.643 0.000 3.169) 12.067 22.789 ( 2.843 0.000 -3.168) 4.257 22.891 ( 2.843 0.000 3.758) 4.712 28.202 ( 1.159 0.000 -2.069) 2.371 28.276 ( 2.198 0.000 0.998) 2.414 29.194 ( 2.270 0.000 -9.816) 10.075 29.560 ( 16.242 0.000 20.398) 26.074 30.545 ( -5.023 -0.000 3.085) 5.894 30.645 ( 2.292 0.000 9.068) 9.353 31.018 ( 3.764 0.000 -9.679) 10.385 31.433 ( 2.334 0.000 -9.602) 9.881 32.535 ( -2.795 -0.000 -9.988) 10.372 33.030 ( -8.365 -0.000 -6.438) 10.555 34.322 ( 3.977 0.000 -1.882) 4.400 34.375 ( -0.320 -0.000 18.266) 18.269 45.656 ( -6.125 -0.000 4.586) 7.651 45.927 ( -3.947 -0.000 -4.511) 5.994 88.973 ( 8.465 0.000 -1.276) 8.561 89.507 ( 13.324 0.000 3.867) 13.874 90.066 ( -11.220 -0.000 -12.002) 16.430 90.942 ( 14.026 0.000 20.130) 24.535 ======================= Grid point 185 (82/196) ======================= q-point: (-0.20 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -24.054 4.354 -0.364) 24.447 2.348 ( -23.056 -7.044 -1.580) 24.160 3.070 ( -2.336 5.493 0.348) 5.979 3.220 ( -10.577 -0.543 -4.925) 11.680 3.353 ( -10.691 6.201 0.457) 12.368 3.870 ( -2.284 -0.153 -4.132) 4.724 3.950 ( -0.979 0.200 -9.175) 9.229 4.123 ( -6.289 -4.723 -4.933) 9.284 4.182 ( -5.527 -1.678 4.162) 7.119 4.362 ( 2.676 -1.397 8.877) 9.376 4.865 ( -13.639 12.279 -9.673) 20.745 5.313 ( -5.633 -15.520 -3.684) 16.916 6.250 ( 5.034 2.544 9.628) 11.159 6.660 ( -1.408 -2.159 10.017) 10.343 6.983 ( -5.612 5.629 1.235) 8.044 7.128 ( -10.209 -4.341 5.346) 12.314 7.647 ( 4.146 2.831 -13.992) 14.865 7.775 ( -0.419 -2.306 5.341) 5.833 8.527 ( -7.398 0.695 1.326) 7.548 8.787 ( 26.917 0.798 -2.015) 27.004 9.413 ( -4.013 -1.598 -0.843) 4.401 10.133 ( 0.486 1.641 -5.047) 5.330 10.363 ( -8.716 0.119 -1.745) 8.890 10.748 ( 4.869 0.508 6.192) 7.893 11.694 ( 3.145 0.565 0.514) 3.237 11.883 ( 3.726 1.142 -0.534) 3.933 14.928 ( -2.714 1.450 6.468) 7.162 15.132 ( -0.061 -0.111 -4.158) 4.160 17.138 ( 2.526 -0.260 -3.700) 4.488 17.571 ( 2.916 -1.687 1.257) 3.596 17.827 ( -2.151 0.753 0.408) 2.315 17.991 ( 1.133 1.128 -0.163) 1.607 18.632 ( -1.994 -2.409 -1.389) 3.422 18.878 ( 6.158 0.201 3.536) 7.104 22.819 ( 4.220 -0.225 -3.878) 5.736 22.997 ( 5.543 -0.380 6.276) 8.382 28.206 ( 1.319 0.249 -1.793) 2.240 28.319 ( 1.884 -0.717 0.882) 2.200 29.208 ( 7.893 0.218 -6.699) 10.355 29.959 ( 14.667 -3.127 18.031) 23.453 30.478 ( -6.671 0.092 4.041) 7.800 30.728 ( 2.355 2.322 4.329) 5.447 30.987 ( 6.142 2.243 -17.676) 18.847 31.378 ( 0.574 2.109 -7.256) 7.578 32.264 ( -7.418 16.432 -7.366) 19.476 32.931 ( -8.089 -10.557 -8.353) 15.705 34.365 ( 4.408 0.505 -3.172) 5.454 34.547 ( -0.414 -3.741 23.086) 23.391 45.590 ( -6.487 0.424 4.413) 7.857 45.850 ( -2.538 -0.610 -3.557) 4.412 89.088 ( 6.863 -0.866 -0.393) 6.929 89.704 ( 9.761 1.709 2.625) 10.252 89.781 ( -13.556 1.359 -9.710) 16.730 91.269 ( 12.017 6.030 22.130) 25.894 ======================= Grid point 186 (83/196) ======================= q-point: (-0.10 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -24.195 -2.296 -4.671) 24.748 2.075 ( -22.887 -9.020 -2.669) 24.745 2.881 ( -9.834 12.141 4.840) 16.357 3.062 ( -11.191 -4.188 -1.245) 12.013 3.124 ( -10.312 1.342 -0.958) 10.443 3.763 ( -5.329 -0.364 -5.050) 7.350 3.964 ( 1.709 -6.218 -9.883) 11.800 4.076 ( -7.950 -8.233 -1.468) 11.539 4.153 ( -5.805 -2.935 4.563) 7.945 4.458 ( -1.374 4.253 0.980) 4.576 4.521 ( -3.683 1.100 -4.498) 5.916 5.402 ( -3.338 -13.013 -3.667) 13.926 6.294 ( -1.999 7.522 11.958) 14.268 6.645 ( -11.067 2.571 1.459) 11.455 6.805 ( -6.817 -5.295 -4.775) 9.865 7.157 ( -2.376 -5.119 10.765) 12.155 7.562 ( 3.841 3.761 -12.134) 13.271 7.745 ( -13.121 -2.122 6.152) 14.647 8.469 ( -1.370 0.743 4.493) 4.755 9.102 ( 17.321 4.451 -2.444) 18.050 9.443 ( 4.004 -2.257 -0.411) 4.615 10.135 ( 5.483 0.400 -2.448) 6.018 10.240 ( -3.063 1.592 -1.240) 3.668 10.817 ( 1.519 1.524 2.891) 3.604 11.734 ( 3.179 1.352 0.795) 3.545 11.908 ( 3.208 2.421 -0.627) 4.068 14.907 ( -2.382 3.071 5.673) 6.877 15.140 ( 4.340 -0.438 -3.424) 5.546 17.151 ( 2.260 -0.300 -3.247) 3.968 17.648 ( 2.172 -2.894 1.079) 3.776 17.770 ( -3.795 1.218 0.221) 3.992 17.975 ( -0.477 1.748 -0.223) 1.826 18.585 ( -8.529 -3.573 -0.693) 9.273 18.943 ( 0.373 2.012 3.437) 4.000 22.858 ( 4.264 -0.183 -3.998) 5.847 23.138 ( 6.268 1.962 8.941) 11.094 28.207 ( 1.347 1.036 -1.233) 2.100 28.362 ( 1.394 -1.187 0.807) 2.001 29.313 ( 11.704 1.214 -4.490) 12.595 30.201 ( 0.606 11.273 -2.267) 11.514 30.424 ( -4.788 -0.614 4.249) 6.431 30.649 ( 3.505 4.389 -8.998) 10.607 30.917 ( 1.645 0.760 -4.380) 4.740 31.328 ( 1.887 2.331 -0.018) 2.999 31.924 ( -8.567 9.416 -1.296) 12.796 32.905 ( -3.371 -11.353 -13.329) 17.830 34.384 ( 2.901 1.700 -2.836) 4.399 34.766 ( -0.817 -2.183 24.885) 24.994 45.526 ( -5.662 -0.132 3.806) 6.824 45.823 ( -0.473 -2.375 -2.404) 3.412 89.183 ( 3.651 -0.732 -0.340) 3.739 89.476 ( -12.873 1.544 -7.375) 14.916 89.808 ( 3.445 3.767 3.127) 5.987 91.401 ( 3.235 17.525 19.221) 26.211 ======================= Grid point 195 (84/196) ======================= q-point: (-0.20 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -26.829 -0.000 -7.648) 27.897 1.880 ( -30.042 -0.000 5.062) 30.465 2.983 ( -17.864 -0.000 1.153) 17.901 3.046 ( -10.840 -0.000 4.168) 11.613 3.214 ( -9.677 -0.000 -2.076) 9.897 3.734 ( -15.291 -0.000 -3.355) 15.655 3.839 ( -2.648 -0.000 -10.378) 10.711 3.932 ( -2.628 -0.000 -1.743) 3.153 4.164 ( -3.301 -0.000 2.788) 4.321 4.514 ( 7.704 0.000 6.510) 10.087 4.616 ( -16.777 -0.000 -12.694) 21.038 5.138 ( 1.278 0.000 -6.433) 6.558 6.424 ( 4.277 0.000 11.283) 12.067 6.633 ( -7.588 -0.000 5.181) 9.188 6.801 ( -18.693 -0.000 -5.740) 19.555 7.044 ( -6.389 -0.000 13.601) 15.026 7.618 ( 4.773 0.000 -13.045) 13.890 7.713 ( -10.145 -0.000 3.969) 10.894 8.480 ( -2.598 -0.000 4.268) 4.996 9.158 ( 18.327 0.000 -3.407) 18.641 9.418 ( 4.590 0.000 1.615) 4.865 10.139 ( 6.394 0.000 -3.569) 7.323 10.265 ( -1.359 -0.000 -1.346) 1.912 10.837 ( 1.300 0.000 3.248) 3.499 11.754 ( 3.459 0.000 0.743) 3.538 11.942 ( 3.572 0.000 -0.673) 3.635 14.956 ( -2.551 -0.000 8.150) 8.540 15.135 ( 4.627 0.000 -4.035) 6.140 17.148 ( 2.536 0.000 -3.498) 4.321 17.603 ( 2.077 0.000 0.615) 2.166 17.787 ( -3.676 -0.000 -0.221) 3.683 18.003 ( -0.172 -0.000 -0.951) 0.967 18.531 ( -8.245 -0.000 -0.537) 8.262 18.969 ( 2.128 0.000 4.367) 4.858 22.854 ( 4.623 0.000 -4.193) 6.241 23.164 ( 8.458 0.000 10.252) 13.291 28.224 ( 2.022 0.000 -0.807) 2.177 28.342 ( 1.376 0.000 0.327) 1.414 29.327 ( 12.543 0.000 -3.463) 13.012 30.273 ( 13.137 0.000 14.793) 19.785 30.409 ( -6.361 -0.000 3.731) 7.374 30.812 ( 1.179 0.000 4.539) 4.689 30.920 ( 7.455 0.000 -35.304) 36.082 31.371 ( 1.781 0.000 -2.881) 3.387 32.202 ( -7.682 -0.000 -14.886) 16.752 32.627 ( -13.021 -0.000 -3.820) 13.570 34.411 ( 4.515 0.000 -3.372) 5.635 34.720 ( 0.016 0.000 31.759) 31.759 45.524 ( -6.716 -0.000 4.315) 7.982 45.791 ( -1.418 -0.000 -2.878) 3.209 89.174 ( 5.155 0.000 0.615) 5.191 89.492 ( -15.752 -0.000 -8.981) 18.132 89.863 ( 6.892 0.000 2.140) 7.216 91.681 ( 11.943 0.000 26.098) 28.701 ======================= Grid point 196 (85/196) ======================= q-point: (-0.10 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -28.489 0.739 -2.435) 28.602 1.550 ( -28.918 -12.218 3.572) 31.596 2.713 ( -30.014 -5.041 8.254) 31.534 2.812 ( -19.456 0.349 5.314) 20.172 3.043 ( -5.658 8.253 -0.295) 10.011 3.508 ( -18.063 -10.256 -1.741) 20.844 3.734 ( -4.874 -0.670 -6.121) 7.853 3.910 ( -2.206 -7.023 -7.728) 10.673 4.126 ( -3.666 0.323 3.847) 5.324 4.321 ( -4.900 3.877 -13.796) 15.145 4.650 ( 8.024 1.449 0.614) 8.177 5.201 ( 3.729 -10.643 -6.985) 13.265 6.419 ( -16.418 8.246 10.332) 21.078 6.456 ( -11.117 2.919 -3.152) 11.918 6.624 ( -0.756 -6.519 2.658) 7.080 7.111 ( -4.119 -7.585 12.317) 15.040 7.540 ( -7.973 3.451 -2.055) 8.927 7.648 ( 5.974 -1.024 -6.222) 8.686 8.480 ( -2.906 -0.274 4.670) 5.507 9.203 ( -4.089 1.306 -4.930) 6.537 9.540 ( 8.615 -0.008 2.394) 8.941 10.112 ( -1.939 1.898 -9.093) 9.490 10.484 ( 24.335 3.734 7.126) 25.631 10.828 ( -3.232 0.300 -0.171) 3.250 11.802 ( 2.871 0.864 0.866) 3.121 11.976 ( 3.050 1.537 -0.721) 3.490 14.951 ( -3.818 2.918 7.354) 8.785 15.208 ( 8.504 -0.165 -3.468) 9.185 17.166 ( 2.691 -0.075 -1.937) 3.317 17.647 ( 1.616 -2.194 0.175) 2.730 17.724 ( -3.710 0.664 -0.074) 3.770 17.973 ( -1.544 1.084 -1.196) 2.234 18.383 ( -12.686 -2.022 -0.345) 12.851 18.992 ( -1.480 3.514 3.651) 5.279 22.891 ( 4.050 0.050 -3.589) 5.411 23.376 ( 9.042 3.621 15.263) 18.106 28.245 ( 2.005 1.414 -0.128) 2.457 28.367 ( 0.841 -1.091 -0.148) 1.385 29.511 ( 14.594 2.561 -1.948) 14.945 30.278 ( -5.948 18.530 -23.088) 30.196 30.377 ( -3.812 4.961 -11.894) 13.439 30.711 ( 8.022 -0.303 -2.504) 8.409 30.886 ( -0.222 -4.053 -0.326) 4.072 31.392 ( 3.278 0.798 0.047) 3.374 31.865 ( -11.674 8.961 -6.382) 16.041 32.550 ( -6.502 -17.518 -11.828) 22.115 34.440 ( 3.703 2.085 -1.995) 4.694 34.990 ( 1.742 2.434 36.840) 36.962 45.462 ( -5.821 -0.509 3.808) 6.974 45.773 ( 0.076 -2.088 -2.183) 3.021 89.174 ( -10.965 2.967 -4.671) 12.282 89.277 ( -0.423 -3.562 -0.395) 3.609 89.923 ( 2.261 4.482 0.972) 5.114 91.871 ( 4.370 24.067 19.707) 31.411 ======================= Grid point 206 (86/196) ======================= q-point: (-0.10 -0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -27.256 -0.000 9.984) 29.027 0.999 ( -34.206 -0.000 10.023) 35.645 2.136 ( -54.506 -0.000 18.222) 57.471 2.495 ( -24.410 -0.000 4.527) 24.827 3.063 ( -3.597 -0.000 0.783) 3.682 3.176 ( -9.968 -0.000 -0.836) 10.003 3.660 ( -2.985 -0.000 -1.017) 3.154 3.711 ( -5.177 -0.000 -11.031) 12.185 4.110 ( -1.479 -0.000 -1.117) 1.853 4.209 ( -2.874 -0.000 -9.693) 10.110 4.755 ( 9.736 0.000 -8.121) 12.678 5.164 ( 6.365 0.000 -5.278) 8.269 6.119 ( -20.264 -0.000 -0.583) 20.272 6.432 ( -4.576 -0.000 4.446) 6.380 6.653 ( -0.995 -0.000 11.439) 11.482 7.057 ( -5.451 -0.000 9.279) 10.762 7.441 ( -6.787 -0.000 1.027) 6.864 7.743 ( 13.659 0.000 -8.912) 16.310 8.442 ( -5.734 -0.000 3.769) 6.862 9.045 ( -11.125 -0.000 -3.516) 11.668 9.705 ( 9.758 0.000 2.986) 10.205 9.998 ( -3.831 -0.000 -16.447) 16.887 10.724 ( -8.243 -0.000 -2.389) 8.582 11.008 ( 29.040 0.000 5.491) 29.554 11.849 ( 1.759 0.000 0.639) 1.872 12.022 ( 2.425 0.000 -0.821) 2.560 14.955 ( -5.526 -0.000 5.737) 7.965 15.326 ( 10.112 0.000 -3.216) 10.611 17.211 ( 3.913 0.000 1.918) 4.358 17.653 ( 1.477 0.000 -0.334) 1.514 17.686 ( -1.574 -0.000 0.116) 1.578 17.942 ( -1.761 -0.000 -1.717) 2.459 18.163 ( -14.395 -0.000 -0.255) 14.397 19.023 ( -1.332 -0.000 -3.204) 3.470 22.926 ( 3.479 0.000 -2.221) 4.128 23.735 ( 15.391 0.000 25.077) 29.423 28.289 ( 1.923 0.000 0.307) 1.947 28.361 ( 0.270 0.000 -1.099) 1.132 29.774 ( 15.484 0.000 3.270) 15.826 29.824 ( -25.135 -0.000 -102.989) 106.012 30.272 ( -4.529 -0.000 -1.146) 4.672 30.828 ( -3.590 -0.000 2.939) 4.640 30.890 ( 9.678 0.000 11.683) 15.171 31.425 ( 0.552 0.000 -1.957) 2.034 31.699 ( -9.663 -0.000 -8.882) 13.125 32.199 ( -10.920 -0.000 -2.691) 11.247 34.504 ( 3.931 0.000 -0.632) 3.982 35.444 ( 14.083 0.000 43.493) 45.717 45.403 ( -4.953 -0.000 3.387) 6.001 45.746 ( 0.433 0.000 -1.892) 1.941 88.956 ( -11.812 -0.000 -4.118) 12.509 89.300 ( 2.097 0.000 1.765) 2.742 89.990 ( 1.805 0.000 -1.129) 2.129 92.258 ( 5.734 0.000 -15.327) 16.364 ======================= Grid point 207 (87/196) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.512 -0.000 24.156) 24.204 1.231 ( -10.594 -0.000 25.076) 27.222 2.029 ( -19.024 -0.000 38.364) 42.822 2.206 ( -2.703 -0.000 6.263) 6.821 2.826 ( 2.281 0.000 -9.557) 9.825 3.038 ( -3.847 -0.000 2.843) 4.784 3.507 ( 14.163 0.000 -6.658) 15.650 3.840 ( 1.966 0.000 5.529) 5.869 4.302 ( 1.647 0.000 4.574) 4.861 4.578 ( 8.638 0.000 -17.345) 19.376 4.739 ( 13.006 0.000 -1.204) 13.062 5.053 ( 6.781 0.000 -10.079) 12.148 5.791 ( -1.911 -0.000 4.451) 4.844 6.474 ( -4.911 -0.000 -15.789) 16.536 6.845 ( -12.552 -0.000 11.736) 17.183 7.382 ( 2.899 0.000 1.411) 3.224 7.498 ( -1.478 -0.000 4.706) 4.933 7.852 ( 14.962 0.000 -8.148) 17.036 8.345 ( -4.000 -0.000 3.239) 5.147 8.824 ( -5.735 -0.000 -6.671) 8.797 9.070 ( 16.048 0.000 9.733) 18.769 9.735 ( -8.026 -0.000 -7.329) 10.869 10.585 ( 6.889 0.000 1.593) 7.071 10.731 ( -18.152 -0.000 -2.530) 18.328 11.902 ( -0.363 -0.000 1.543) 1.585 12.020 ( 0.505 0.000 -1.769) 1.840 14.953 ( -2.588 -0.000 5.935) 6.475 15.405 ( 3.276 0.000 -5.577) 6.468 17.558 ( -4.411 -0.000 1.121) 4.551 17.624 ( -1.786 -0.000 -0.797) 1.956 17.728 ( -16.374 -0.000 -0.984) 16.404 17.786 ( 4.418 0.000 -0.435) 4.440 17.835 ( -0.213 -0.000 1.057) 1.079 17.964 ( 6.918 0.000 -0.469) 6.934 23.081 ( 4.958 0.000 4.122) 6.448 23.417 ( -21.612 -0.000 -4.788) 22.136 28.324 ( -0.098 -0.000 0.239) 0.258 28.353 ( -0.132 -0.000 -0.631) 0.645 29.052 ( 66.901 0.000 7.006) 67.267 29.694 ( -19.882 -0.000 -10.114) 22.306 30.445 ( 15.437 0.000 5.818) 16.497 30.927 ( -14.047 -0.000 -5.268) 15.002 30.946 ( -3.385 -0.000 8.803) 9.432 31.460 ( 1.502 0.000 -6.065) 6.248 31.574 ( 13.014 0.000 1.456) 13.095 31.873 ( -0.492 -0.000 -5.903) 5.923 34.794 ( 4.907 0.000 9.284) 10.501 35.384 ( -31.345 -0.000 -6.331) 31.978 45.415 ( -2.908 -0.000 4.220) 5.125 45.693 ( 2.049 0.000 -3.152) 3.759 88.765 ( 6.283 0.000 -0.347) 6.292 88.778 ( -27.991 -0.000 -0.733) 28.000 89.450 ( -2.773 -0.000 5.568) 6.220 89.883 ( 0.852 0.000 -5.916) 5.978 ======================= Grid point 208 (88/196) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 8.849 -8.694 20.134) 23.649 1.617 ( 18.884 -8.936 23.246) 31.254 2.101 ( 0.704 -8.493 19.509) 21.289 2.388 ( 8.472 -7.072 5.417) 12.293 2.850 ( 5.082 0.661 0.981) 5.218 3.084 ( 1.404 -9.617 -1.403) 9.820 3.682 ( 11.809 -1.524 -4.112) 12.597 3.906 ( 1.672 -1.892 2.011) 3.228 4.389 ( 3.845 -2.098 3.981) 5.919 4.536 ( 5.403 2.056 -14.904) 15.986 4.759 ( 1.963 4.492 -1.232) 5.054 5.179 ( 6.633 -9.668 -15.455) 19.399 5.871 ( 3.528 -0.635 10.215) 10.826 6.261 ( -5.955 -2.076 -14.658) 15.957 6.722 ( -9.655 4.109 9.484) 14.144 7.245 ( -6.936 7.522 6.476) 12.109 7.533 ( -8.286 -6.560 1.731) 10.709 7.894 ( 1.473 1.933 -6.930) 7.343 8.361 ( 0.040 -0.993 4.552) 4.660 8.876 ( 13.514 0.758 -7.181) 15.322 9.504 ( 25.388 0.063 2.847) 25.547 9.559 ( -3.392 -1.387 -8.858) 9.586 10.483 ( -11.553 1.374 0.255) 11.637 10.704 ( 6.761 1.459 2.063) 7.217 11.883 ( -1.809 2.052 1.664) 3.202 11.994 ( -0.580 1.762 -1.841) 2.613 14.941 ( -6.138 -1.305 5.698) 8.476 15.377 ( -1.764 -0.656 -5.378) 5.698 17.394 ( -6.358 2.728 3.445) 7.729 17.597 ( -1.248 -1.232 -0.579) 1.847 17.693 ( 2.924 1.751 -2.917) 4.486 17.775 ( -1.489 -0.333 2.742) 3.138 18.053 ( 15.172 -5.463 -0.047) 16.126 18.114 ( 13.965 -0.168 -2.431) 14.176 23.140 ( -11.630 1.737 -1.134) 11.814 23.179 ( 3.421 1.112 6.299) 7.254 28.310 ( 0.214 1.587 1.117) 1.952 28.354 ( -0.602 -0.758 -1.165) 1.515 29.329 ( -15.328 -0.272 -15.642) 21.902 29.851 ( 43.000 11.051 -5.962) 44.796 30.647 ( 4.770 2.420 5.438) 7.628 30.757 ( -1.178 -0.800 -4.505) 4.725 30.955 ( -3.600 0.318 7.647) 8.458 31.413 ( -1.140 0.162 -6.164) 6.271 31.697 ( 8.577 6.129 1.384) 10.632 32.060 ( 16.700 -19.605 -15.255) 29.933 34.740 ( -25.244 12.968 10.523) 30.269 34.989 ( -6.154 -3.677 8.344) 11.000 45.422 ( -1.605 -1.628 4.097) 4.692 45.720 ( 2.645 -2.017 -3.077) 4.531 88.741 ( 16.244 1.124 -3.595) 16.675 88.943 ( 16.469 1.016 2.793) 16.735 89.483 ( -1.411 -3.299 6.313) 7.262 89.895 ( 0.811 -7.034 -7.503) 10.316 ======================= Grid point 209 (89/196) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 9.848 -9.130 11.291) 17.545 2.024 ( 6.593 -4.853 19.514) 21.162 2.443 ( 7.843 -6.028 2.397) 10.178 2.830 ( 26.980 -16.981 9.531) 33.273 2.948 ( 1.171 -4.870 3.260) 5.976 3.213 ( 5.763 -4.735 -11.935) 14.074 3.844 ( 9.510 -2.202 -0.656) 9.784 3.998 ( 2.476 -7.903 1.027) 8.345 4.380 ( -0.313 6.296 -3.909) 7.417 4.598 ( 5.689 -2.583 -1.325) 6.388 4.760 ( -2.399 -4.962 3.060) 6.304 5.221 ( 6.273 -4.251 -15.988) 17.692 6.018 ( 3.772 3.413 15.402) 16.220 6.214 ( 4.152 -8.895 -13.365) 16.583 6.639 ( 0.192 2.780 4.403) 5.211 7.150 ( -0.135 6.261 4.912) 7.959 7.455 ( -9.844 -2.218 1.127) 10.154 7.860 ( 1.145 -1.088 -2.249) 2.748 8.389 ( -2.853 -0.217 4.795) 5.584 8.980 ( 9.988 3.519 -8.300) 13.455 9.440 ( -0.921 -2.057 -6.752) 7.118 9.898 ( 18.285 -1.405 0.373) 18.343 10.338 ( -5.699 2.387 0.832) 6.234 10.750 ( 0.657 2.063 0.337) 2.191 11.830 ( -2.422 2.882 1.652) 4.111 11.937 ( -1.093 2.864 -1.774) 3.542 14.894 ( -7.498 -1.917 4.631) 9.019 15.307 ( -3.419 -0.612 -4.227) 5.470 17.326 ( -0.997 4.036 1.070) 4.293 17.613 ( 0.330 -1.720 0.878) 1.959 17.693 ( 2.569 0.596 -3.098) 4.068 17.801 ( 2.029 0.107 2.674) 3.359 18.292 ( 14.006 -0.339 -0.862) 14.037 18.395 ( 17.198 -5.170 -0.778) 17.976 22.970 ( -7.249 1.633 -1.912) 7.673 23.236 ( 0.306 2.932 7.405) 7.970 28.307 ( -0.258 1.196 0.997) 1.578 28.340 ( -0.201 -0.019 -0.505) 0.544 29.045 ( -6.734 -1.168 -17.813) 19.079 30.009 ( 0.514 1.995 -6.032) 6.374 30.705 ( 19.412 11.980 -5.012) 23.356 30.781 ( -2.521 0.537 9.838) 10.170 30.930 ( -4.157 2.598 6.084) 7.813 31.334 ( -3.308 0.056 -5.674) 6.568 31.765 ( 6.464 3.507 2.727) 7.844 32.481 ( 23.106 -18.033 -23.848) 37.787 34.296 ( -23.036 8.187 13.507) 27.931 35.058 ( -0.989 0.245 10.696) 10.744 45.465 ( -0.795 -2.996 3.988) 5.051 45.771 ( 3.161 -2.375 -2.807) 4.849 88.957 ( 20.424 4.980 -8.019) 22.500 89.210 ( 17.408 4.648 5.447) 18.823 89.584 ( 0.647 -5.580 5.227) 7.673 90.001 ( 6.582 -11.151 -6.800) 14.626 ======================= Grid point 210 (90/196) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 7.097 -7.101 2.485) 10.342 2.316 ( 3.590 -9.223 12.953) 16.301 2.570 ( 4.713 1.703 2.636) 5.662 2.987 ( -5.617 -5.556 -8.509) 11.612 3.215 ( 7.641 0.865 -10.485) 13.003 3.482 ( 19.584 -14.427 3.833) 24.624 3.972 ( 6.475 -0.744 -2.316) 6.917 4.154 ( 1.528 -0.965 0.913) 2.025 4.323 ( 1.395 -3.797 3.879) 5.604 4.620 ( -1.973 2.475 4.313) 5.350 4.795 ( -0.181 -3.975 -6.499) 7.620 5.366 ( 9.327 -10.015 -3.117) 14.035 6.069 ( -3.198 4.486 11.686) 12.919 6.365 ( 8.007 -12.900 -10.631) 18.534 6.789 ( 17.771 1.636 4.384) 18.377 7.121 ( 9.325 11.645 -3.074) 15.232 7.356 ( -9.950 -4.892 4.537) 11.980 7.931 ( 4.534 -2.121 2.598) 5.639 8.354 ( -5.887 -0.452 4.331) 7.322 8.938 ( 0.215 5.817 -7.561) 9.542 9.489 ( 5.862 -4.780 -3.266) 8.239 10.010 ( -3.720 1.634 -5.135) 6.548 10.346 ( 8.427 0.597 7.129) 11.054 10.680 ( -5.977 0.834 -2.255) 6.442 11.766 ( -2.487 2.955 1.409) 4.111 11.869 ( -1.314 2.892 -1.456) 3.494 14.845 ( -5.897 -2.044 2.952) 6.904 15.236 ( -2.696 0.453 -2.946) 4.019 17.259 ( -0.801 4.190 -0.981) 4.377 17.644 ( 1.713 0.781 1.661) 2.511 17.720 ( 0.920 -2.904 -1.485) 3.389 17.860 ( 3.575 0.398 1.791) 4.018 18.503 ( 13.436 -0.998 -0.441) 13.480 18.669 ( 11.955 -2.788 0.438) 12.284 22.849 ( -4.433 1.162 -2.224) 5.093 23.218 ( -3.181 4.036 6.462) 8.256 28.266 ( -1.396 1.845 -1.863) 2.971 28.360 ( 0.768 -0.186 2.616) 2.733 28.906 ( 2.389 -1.383 -15.657) 15.898 29.867 ( -14.257 -7.264 -8.673) 18.200 30.769 ( 2.458 6.296 5.139) 8.491 30.836 ( 2.009 2.177 4.635) 5.501 30.880 ( 8.194 10.705 4.993) 14.376 31.241 ( -4.256 -0.791 -4.348) 6.135 31.826 ( 3.929 3.177 3.917) 6.394 32.799 ( 17.381 -11.284 -24.877) 32.377 34.074 ( -10.894 1.380 11.895) 16.189 35.091 ( -2.521 2.464 10.132) 10.728 45.526 ( -0.742 -3.515 3.821) 5.245 45.827 ( 3.433 -1.467 -2.383) 4.429 89.089 ( 13.890 5.466 -6.455) 16.263 89.384 ( 8.305 4.683 5.631) 11.073 89.678 ( 1.543 -4.117 -1.177) 4.551 90.288 ( 13.768 -10.697 1.280) 17.483 ======================= Grid point 211 (91/196) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 4.549 -5.933 -2.683) 7.943 2.487 ( -1.902 4.116 0.101) 4.536 2.562 ( -2.823 -4.871 -1.099) 5.736 2.886 ( -2.242 -4.623 -6.334) 8.155 3.289 ( 6.051 -1.746 -3.837) 7.374 3.768 ( 3.782 -5.030 -2.538) 6.786 3.984 ( 1.407 3.603 -5.806) 6.976 4.168 ( 6.382 6.620 3.021) 9.679 4.449 ( -0.272 -4.769 2.366) 5.331 4.606 ( -2.061 0.880 6.316) 6.702 4.811 ( 2.198 -2.678 -4.661) 5.808 5.600 ( 0.757 -8.951 8.476) 12.351 6.043 ( -1.340 -2.847 -1.749) 3.600 6.610 ( 7.720 -11.832 -2.323) 14.318 6.941 ( 5.832 11.304 -1.666) 12.829 7.153 ( 11.918 3.222 1.409) 12.426 7.415 ( 4.537 -2.769 5.903) 7.943 8.051 ( 6.327 0.790 4.335) 7.710 8.336 ( -2.385 -4.407 2.614) 5.652 8.749 ( -8.205 5.389 -5.183) 11.101 9.640 ( 6.382 -3.318 -4.143) 8.301 9.827 ( -5.459 3.531 -1.395) 6.649 10.525 ( -5.098 1.116 0.041) 5.219 10.566 ( 4.488 -3.435 1.858) 5.949 11.708 ( -1.775 2.210 1.260) 3.102 11.809 ( -1.047 1.730 -1.173) 2.338 14.819 ( -3.326 -2.228 1.539) 4.289 15.173 ( -1.311 1.675 -2.240) 3.089 17.189 ( -0.562 3.295 -1.886) 3.838 17.679 ( 2.518 0.667 1.853) 3.197 17.756 ( -0.685 -2.893 -0.055) 2.974 17.912 ( 2.477 0.422 1.110) 2.747 18.699 ( 9.653 -2.174 0.261) 9.898 18.814 ( 4.593 0.258 0.586) 4.637 22.781 ( -1.145 0.289 -1.989) 2.313 23.152 ( -4.067 3.181 4.675) 6.966 28.206 ( -1.130 1.780 -2.319) 3.134 28.389 ( 0.376 0.055 2.501) 2.530 28.908 ( 8.464 -0.753 -11.357) 14.184 29.680 ( -17.144 -12.296 -11.055) 23.818 30.715 ( -7.257 2.216 6.971) 10.304 30.821 ( -1.988 1.807 6.326) 6.872 30.983 ( 17.449 14.134 3.464) 22.721 31.180 ( -2.608 -2.547 -2.876) 4.643 31.860 ( 1.381 2.534 4.776) 5.580 32.918 ( 8.946 -4.466 -22.309) 24.447 34.086 ( -1.136 -4.105 7.559) 8.676 35.077 ( -3.637 3.162 9.331) 10.502 45.581 ( -1.431 -3.043 3.637) 4.953 45.870 ( 3.262 0.309 -2.048) 3.864 89.157 ( 9.234 4.588 -3.799) 10.989 89.429 ( -2.395 -0.974 2.333) 3.483 89.733 ( 3.961 -0.007 -2.192) 4.527 90.636 ( 11.500 -8.611 5.498) 15.383 ======================= Grid point 212 (92/196) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -11.236 5.835 -14.791) 19.470 2.281 ( 0.956 1.449 -1.361) 2.206 2.633 ( -2.277 -6.316 1.252) 6.830 2.939 ( 0.152 -4.712 2.115) 5.167 3.336 ( 1.200 0.747 -1.892) 2.362 3.758 ( -1.565 1.240 -7.086) 7.362 3.946 ( 3.453 1.227 -4.170) 5.551 4.160 ( 3.582 7.903 1.844) 8.871 4.494 ( 0.693 0.238 0.846) 1.120 4.580 ( -2.305 2.351 1.728) 3.718 4.790 ( -5.692 3.663 3.201) 7.488 5.711 ( -5.813 -3.419 9.120) 11.343 6.113 ( 2.239 -9.501 -3.170) 10.263 6.664 ( -4.817 2.851 -5.029) 7.525 6.970 ( 9.922 0.179 -0.225) 9.926 7.273 ( 2.361 0.401 7.333) 7.714 7.456 ( -5.520 3.067 2.701) 6.869 8.135 ( -1.558 3.092 4.845) 5.955 8.431 ( 2.355 -4.932 0.470) 5.486 8.607 ( 5.853 -1.596 -4.045) 7.292 9.548 ( -1.912 5.379 -6.091) 8.348 9.937 ( 9.310 -3.863 4.381) 10.991 10.343 ( -10.134 1.405 -5.389) 11.563 10.720 ( 3.780 -2.772 3.129) 5.636 11.687 ( 0.309 0.507 1.282) 1.413 11.786 ( 0.407 -0.488 -1.133) 1.299 14.829 ( -0.833 -2.765 0.986) 3.052 15.125 ( 0.440 2.079 -1.933) 2.872 17.138 ( 0.284 1.963 -1.770) 2.658 17.721 ( 2.226 0.753 1.625) 2.857 17.766 ( -2.303 -1.941 0.364) 3.034 17.940 ( 0.876 0.102 0.788) 1.183 18.809 ( -3.135 1.760 0.565) 3.640 18.838 ( 3.617 -2.408 0.335) 4.358 22.774 ( 1.726 -0.210 -1.979) 2.634 23.116 ( -1.156 0.037 3.954) 4.120 28.163 ( -0.227 0.715 -1.806) 1.956 28.406 ( 0.316 0.475 1.596) 1.695 28.974 ( 6.555 -2.064 -9.581) 11.791 29.528 ( -12.884 -13.151 -11.457) 21.685 30.630 ( -7.481 1.655 7.224) 10.530 30.817 ( -2.775 0.640 5.879) 6.533 31.053 ( 9.145 9.779 3.295) 13.788 31.207 ( 5.550 -0.416 -1.180) 5.690 31.874 ( -1.353 1.304 5.299) 5.623 32.881 ( 4.145 0.329 -20.203) 20.626 34.198 ( 1.476 -4.969 3.481) 6.244 35.059 ( -3.391 1.278 9.615) 10.276 45.610 ( -2.555 -1.877 3.593) 4.792 45.883 ( 2.709 2.399 -2.002) 4.135 89.191 ( 4.261 3.137 -1.806) 5.591 89.398 ( -5.544 -3.931 -1.182) 6.898 89.760 ( 1.264 0.704 -0.028) 1.447 90.913 ( 5.273 -9.208 4.410) 11.491 ======================= Grid point 213 (93/196) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -13.913 7.529 -5.429) 16.725 2.218 ( -2.602 6.888 -1.221) 7.464 2.670 ( -4.272 -6.880 0.011) 8.099 2.991 ( -2.062 -2.318 2.057) 3.722 3.272 ( -3.927 4.946 0.910) 6.381 3.666 ( -0.875 1.030 -5.956) 6.108 3.931 ( 3.145 4.262 -7.543) 9.217 4.151 ( 3.141 4.468 4.730) 7.225 4.397 ( -4.797 6.636 -5.113) 9.654 4.573 ( -7.489 9.893 5.823) 13.706 4.590 ( -6.696 0.258 5.492) 8.664 5.622 ( -8.802 5.957 1.062) 10.681 6.269 ( -1.571 -11.561 4.384) 12.463 6.517 ( -5.167 1.962 -2.853) 6.220 7.011 ( -2.926 4.947 0.391) 5.761 7.209 ( -6.332 1.827 -5.365) 8.498 7.433 ( 2.420 -0.848 5.318) 5.904 7.975 ( -14.210 3.599 6.435) 16.009 8.521 ( 2.782 -1.541 2.380) 3.972 8.850 ( 15.071 -7.214 -6.774) 18.030 9.472 ( 2.685 2.412 -2.259) 4.258 10.097 ( -4.882 3.172 -4.891) 7.604 10.199 ( 8.463 -2.637 3.568) 9.555 10.787 ( -0.962 -2.553 0.009) 2.729 11.722 ( 2.256 -1.069 1.105) 2.731 11.817 ( 2.091 -2.562 -1.264) 3.540 14.879 ( 0.604 -3.617 1.605) 4.002 15.110 ( 2.981 1.715 -2.073) 4.015 17.126 ( 1.604 0.611 -0.717) 1.860 17.735 ( -1.165 0.210 -0.219) 1.203 17.748 ( -1.106 0.461 1.238) 1.723 17.950 ( -0.297 -0.240 0.419) 0.567 18.678 ( -9.691 3.326 0.470) 10.257 18.886 ( -3.177 -4.099 -0.261) 5.193 22.796 ( 2.925 -0.038 -2.269) 3.702 23.197 ( 3.717 -4.747 4.767) 7.686 28.160 ( 0.935 -0.878 -0.785) 1.504 28.408 ( -0.040 0.966 0.442) 1.063 28.958 ( -8.946 -10.249 -13.893) 19.444 29.502 ( 3.505 -5.375 -7.349) 9.756 30.554 ( -8.243 0.872 7.672) 11.295 30.812 ( -2.503 -0.291 4.687) 5.322 31.082 ( 5.129 5.008 2.733) 7.672 31.305 ( 9.063 2.261 -0.478) 9.353 31.854 ( -5.221 0.919 5.272) 7.477 32.748 ( 1.878 4.445 -19.483) 20.072 34.285 ( 0.967 -3.453 0.840) 3.683 35.108 ( -1.909 -3.767 11.050) 11.830 45.604 ( -3.794 -0.495 3.808) 5.398 45.861 ( 2.150 4.139 -2.357) 5.227 89.154 ( -5.499 -0.674 -2.321) 6.007 89.377 ( 0.435 -0.157 -0.346) 0.578 89.753 ( -4.173 -3.063 0.530) 5.203 91.093 ( -2.087 -12.994 -0.811) 13.185 ======================= Grid point 214 (94/196) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -14.117 6.673 10.039) 18.563 1.997 ( -9.547 14.563 3.473) 17.756 2.677 ( -8.889 -8.050 -0.343) 11.997 2.960 ( -4.243 0.918 1.421) 4.568 3.128 ( -7.144 7.306 5.087) 11.414 3.631 ( -1.220 -0.124 0.240) 1.249 3.764 ( -6.686 12.028 -9.019) 16.454 4.098 ( -8.910 13.992 0.481) 16.595 4.209 ( -1.914 2.090 4.670) 5.462 4.275 ( -7.569 7.562 0.847) 10.732 4.627 ( -1.867 -1.843 3.575) 4.434 5.379 ( -3.826 11.287 -4.926) 12.895 6.328 ( -8.890 -2.283 -2.158) 9.429 6.439 ( -8.166 -5.129 8.411) 12.796 6.834 ( -4.453 7.001 0.873) 8.343 7.164 ( 2.435 -7.712 -10.656) 13.377 7.506 ( 4.904 4.643 3.736) 7.718 7.778 ( -10.030 5.598 5.530) 12.749 8.560 ( -2.728 -1.116 2.885) 4.124 9.015 ( 3.390 -3.962 -7.099) 8.808 9.504 ( 0.988 -3.162 -2.541) 4.175 9.914 ( -3.352 3.704 -6.332) 8.065 10.490 ( 15.915 -4.784 5.291) 17.440 10.756 ( -5.312 -2.211 -3.473) 6.720 11.784 ( 2.429 -1.699 0.652) 3.035 11.885 ( 2.821 -3.358 -1.425) 4.612 14.948 ( -1.268 -4.176 3.405) 5.535 15.147 ( 7.400 1.239 -3.445) 8.256 17.163 ( 3.303 -0.598 1.210) 3.568 17.695 ( -3.262 -0.809 -0.499) 3.397 17.733 ( 0.754 2.906 0.354) 3.023 17.942 ( -1.109 -0.035 -0.233) 1.134 18.457 ( -14.198 3.180 0.375) 14.554 18.843 ( -9.859 -5.839 -2.507) 11.729 22.832 ( 3.855 -0.264 -1.817) 4.270 23.407 ( 6.062 -10.138 5.386) 12.982 28.198 ( 1.787 -2.085 0.081) 2.747 28.374 ( -3.252 0.483 -1.973) 3.835 28.769 ( -19.661 -12.600 -17.183) 28.992 29.641 ( 15.957 1.576 -3.036) 16.319 30.458 ( -11.326 0.000 6.571) 13.094 30.827 ( -1.442 -1.516 4.755) 5.195 31.127 ( 5.583 3.491 2.655) 7.100 31.398 ( 8.071 2.653 -1.174) 8.576 31.752 ( -10.383 2.468 3.611) 11.266 32.543 ( 0.502 8.411 -18.293) 20.140 34.352 ( 2.499 -3.433 0.486) 4.274 35.263 ( -0.776 -10.674 11.265) 15.538 45.567 ( -4.846 0.727 4.152) 6.423 45.812 ( 1.957 4.906 -3.016) 6.082 89.026 ( -10.301 -1.759 -3.012) 10.875 89.396 ( 3.152 3.375 2.378) 5.194 89.729 ( -9.048 -9.340 -1.400) 13.079 91.146 ( -12.217 -17.379 -12.183) 24.489 ======================= Grid point 215 (95/196) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -13.678 5.483 24.317) 28.433 1.647 ( -14.778 17.513 11.717) 25.737 2.503 ( -28.766 -1.809 7.783) 29.855 2.861 ( -12.447 9.362 6.804) 16.996 2.997 ( -2.248 0.685 6.220) 6.649 3.268 ( -18.447 13.347 -6.448) 23.665 3.651 ( -2.890 2.833 1.812) 4.434 3.779 ( 0.300 14.417 -6.645) 15.877 4.156 ( -0.829 1.440 6.684) 6.887 4.264 ( 1.549 0.502 4.929) 5.191 4.616 ( 0.049 0.874 -2.909) 3.038 5.212 ( 6.520 10.648 -8.099) 14.882 6.123 ( -8.626 6.423 -5.219) 11.954 6.438 ( -6.578 -5.336 6.077) 10.425 6.799 ( -1.455 -2.935 4.473) 5.544 7.268 ( 1.641 -9.773 -6.271) 11.727 7.474 ( -0.835 11.406 7.420) 13.632 7.666 ( 5.216 5.042 -2.934) 7.825 8.517 ( -7.094 -0.676 3.091) 7.767 8.982 ( -3.731 0.161 -3.179) 4.904 9.450 ( -11.020 -6.948 -13.388) 18.680 9.855 ( 5.321 4.680 -0.426) 7.099 10.627 ( -8.265 -1.963 -4.199) 9.476 10.834 ( 10.615 -9.196 -0.746) 14.064 11.837 ( 1.110 -1.716 0.470) 2.097 11.956 ( 2.589 -2.902 -1.631) 4.217 14.978 ( -4.600 -2.739 4.304) 6.869 15.246 ( 10.790 0.641 -4.690) 11.783 17.262 ( 5.533 -2.075 3.509) 6.872 17.665 ( -2.156 -1.492 -0.328) 2.642 17.705 ( 2.101 4.100 -0.854) 4.685 17.919 ( -0.895 0.437 -0.644) 1.187 18.198 ( -15.706 2.058 0.495) 15.848 18.679 ( -19.303 -6.678 -8.061) 21.958 22.893 ( 4.699 -0.580 -0.412) 4.752 23.680 ( 2.172 -16.388 0.972) 16.560 28.218 ( -14.371 -2.401 -7.153) 16.231 28.261 ( 1.043 -1.859 1.813) 2.798 28.515 ( -9.006 -0.028 -7.253) 11.564 29.873 ( 20.426 3.239 -0.479) 20.687 30.299 ( -15.749 -0.583 3.410) 16.125 30.872 ( -1.632 -2.260 6.332) 6.919 31.206 ( 7.667 1.990 2.246) 8.233 31.449 ( 3.746 5.248 0.725) 6.489 31.538 ( -12.596 1.940 -2.307) 12.952 32.290 ( -0.805 11.353 -14.586) 18.502 34.470 ( 5.286 -4.127 2.372) 7.113 35.507 ( -1.201 -18.178 5.779) 19.112 45.507 ( -5.209 1.454 4.316) 6.919 45.756 ( 1.966 4.470 -3.617) 6.077 88.869 ( -9.299 -0.769 -2.545) 9.672 89.408 ( 1.402 3.733 3.516) 5.316 89.701 ( -14.098 -16.297 -4.684) 22.052 90.893 ( -29.824 -11.505 -30.550) 44.217 ======================= Grid point 216 (96/196) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -16.033 15.937 20.958) 30.827 1.407 ( -19.196 7.146 25.442) 32.662 2.095 ( -35.886 -3.893 26.067) 44.525 2.471 ( -20.083 17.641 14.318) 30.324 2.936 ( -4.768 1.923 -13.117) 14.089 3.063 ( 0.341 -1.108 3.413) 3.604 3.455 ( 5.014 10.724 -7.938) 14.253 3.771 ( 2.865 1.426 5.370) 6.251 4.242 ( 3.014 -0.588 4.455) 5.411 4.390 ( 9.015 -5.673 7.961) 13.298 4.602 ( 8.122 3.502 -8.281) 12.116 5.127 ( 7.965 11.102 -10.017) 16.942 5.887 ( -7.000 5.395 -2.343) 9.144 6.518 ( 6.884 -2.758 -4.972) 8.928 6.863 ( -8.317 -8.647 10.673) 16.058 7.250 ( -4.029 0.656 4.854) 6.342 7.482 ( 7.206 4.258 4.098) 9.320 7.717 ( 12.348 2.653 -8.579) 15.268 8.425 ( -8.121 0.200 3.002) 8.661 8.922 ( -0.349 1.140 2.075) 2.393 9.158 ( -21.070 -2.861 -14.639) 25.816 9.858 ( -0.196 2.662 -2.151) 3.429 10.529 ( -2.115 -1.622 -2.200) 3.457 10.953 ( -8.004 -7.147 -6.551) 12.572 11.875 ( 0.492 -1.658 1.329) 2.181 12.006 ( 1.664 -1.625 -1.760) 2.916 14.958 ( -4.018 -0.040 5.057) 6.459 15.356 ( 8.826 0.448 -5.238) 10.273 17.429 ( 7.577 -3.735 3.631) 9.195 17.649 ( -2.152 -0.812 -0.528) 2.360 17.707 ( 6.346 3.008 -1.616) 7.207 17.906 ( 1.042 0.558 -0.415) 1.252 17.965 ( -13.280 0.563 1.116) 13.339 18.262 ( -33.768 -1.192 -10.779) 35.466 22.979 ( 5.129 -0.521 1.666) 5.418 23.752 ( -17.170 -12.258 -11.251) 23.910 28.160 ( 13.097 -2.467 13.515) 18.981 28.332 ( 6.574 0.646 3.497) 7.474 28.399 ( -0.470 4.139 -1.392) 4.392 30.035 ( -16.436 -0.758 -5.756) 17.432 30.161 ( 17.028 2.565 5.632) 18.117 30.918 ( -2.734 -1.601 7.976) 8.582 31.211 ( -14.716 3.786 -3.645) 15.626 31.354 ( 9.167 0.735 4.948) 10.443 31.490 ( 3.058 0.350 -5.127) 5.980 32.035 ( -1.922 10.696 -9.000) 14.110 34.634 ( 6.061 -2.915 5.668) 8.795 35.670 ( -11.156 -16.414 -7.662) 21.274 45.447 ( -4.427 1.231 4.313) 6.302 45.709 ( 1.781 2.871 -3.602) 4.938 88.756 ( -3.528 -0.137 -1.843) 3.983 89.362 ( -14.789 -3.700 -3.570) 15.657 89.571 ( -32.277 -17.679 -7.840) 37.628 90.133 ( -21.819 17.500 -20.740) 34.820 ======================= Grid point 218 (97/196) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 14.250 0.000 22.127) 26.318 1.956 ( -2.126 -0.000 21.839) 21.942 2.322 ( 37.931 0.000 1.192) 37.950 2.637 ( 17.062 0.000 7.692) 18.716 2.962 ( -0.099 -0.000 -6.611) 6.611 3.044 ( 12.483 0.000 2.483) 12.728 3.817 ( 9.431 0.000 -0.958) 9.480 3.893 ( 0.257 0.000 -5.245) 5.251 4.478 ( 5.163 0.000 5.706) 7.695 4.526 ( 2.216 0.000 -5.737) 6.151 4.729 ( -3.795 -0.000 -4.329) 5.757 5.147 ( 11.056 0.000 -16.899) 20.194 6.065 ( 7.523 0.000 14.294) 16.153 6.082 ( 0.238 0.000 -14.529) 14.531 6.705 ( -2.399 -0.000 6.744) 7.158 7.209 ( -11.291 -0.000 13.172) 17.349 7.438 ( -0.436 -0.000 -0.457) 0.632 7.839 ( -0.544 -0.000 -8.063) 8.082 8.391 ( -2.120 -0.000 6.327) 6.673 9.029 ( 11.874 0.000 -8.729) 14.738 9.416 ( -2.165 -0.000 -6.552) 6.900 9.886 ( 18.824 0.000 -2.094) 18.940 10.368 ( -4.879 -0.000 1.293) 5.048 10.781 ( -0.371 -0.000 0.909) 0.982 11.872 ( -2.955 -0.000 1.751) 3.435 11.976 ( -1.377 -0.000 -1.844) 2.302 14.870 ( -7.058 -0.000 4.942) 8.616 15.300 ( -2.613 -0.000 -4.061) 4.829 17.406 ( 0.252 0.000 3.734) 3.742 17.539 ( -1.654 -0.000 -2.587) 3.071 17.747 ( 4.422 0.000 -4.540) 6.338 17.797 ( 1.182 0.000 3.045) 3.266 18.276 ( 16.665 0.000 3.408) 17.010 18.311 ( 15.250 0.000 -3.639) 15.678 22.992 ( -8.118 -0.000 -1.932) 8.344 23.275 ( 0.183 0.000 8.772) 8.774 28.323 ( -0.200 -0.000 1.131) 1.149 28.337 ( -0.565 -0.000 -0.753) 0.942 29.028 ( -6.831 -0.000 -18.203) 19.443 30.002 ( -10.681 -0.000 -9.248) 14.129 30.773 ( -2.063 -0.000 11.145) 11.334 30.948 ( -4.550 -0.000 6.575) 7.996 30.975 ( 28.460 0.000 -15.316) 32.320 31.343 ( -1.628 -0.000 -6.143) 6.355 31.967 ( 14.263 0.000 -9.411) 17.088 32.048 ( 22.128 0.000 -8.919) 23.858 34.450 ( -28.637 -0.000 12.393) 31.203 35.025 ( -2.080 -0.000 14.324) 14.474 45.425 ( -0.452 -0.000 3.800) 3.827 45.738 ( 4.012 0.000 -2.256) 4.603 89.032 ( 23.117 0.000 -12.259) 26.167 89.303 ( 23.266 0.000 7.777) 24.531 89.517 ( 4.792 0.000 4.432) 6.528 89.803 ( -0.058 -0.000 -4.721) 4.721 ======================= Grid point 219 (98/196) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 8.148 2.752 11.753) 14.564 2.108 ( 5.503 -6.210 18.092) 19.904 2.772 ( 21.282 11.541 0.621) 24.218 2.876 ( -1.300 -2.272 -6.643) 7.140 3.084 ( 24.512 -12.797 -3.849) 27.918 3.264 ( 13.513 -0.528 -1.507) 13.607 3.907 ( 2.276 -8.031 -4.548) 9.506 3.952 ( 7.342 -1.430 1.323) 7.596 4.450 ( -1.802 6.701 1.332) 7.066 4.606 ( -1.042 -3.344 2.473) 4.287 4.718 ( 5.503 -1.811 -1.730) 6.046 5.204 ( 11.378 -2.541 -15.170) 19.132 6.089 ( 7.316 -6.580 -11.183) 14.896 6.182 ( -6.685 2.925 16.943) 18.447 6.844 ( 19.810 2.069 1.815) 20.000 7.177 ( -8.033 -3.757 11.946) 14.878 7.424 ( 4.337 6.627 -2.500) 8.306 7.835 ( 4.357 -3.928 -4.390) 7.327 8.361 ( -7.594 0.465 6.118) 9.763 9.058 ( 2.002 2.779 -8.622) 9.278 9.408 ( 4.048 -1.567 -1.774) 4.689 10.024 ( 3.851 -0.011 -6.330) 7.410 10.381 ( 4.284 1.243 6.590) 7.958 10.699 ( -8.940 0.478 -2.022) 9.179 11.827 ( -3.371 1.423 1.781) 4.070 11.929 ( -1.876 1.423 -1.810) 2.970 14.811 ( -5.307 -0.641 3.493) 6.385 15.249 ( -0.975 0.373 -2.107) 2.351 17.386 ( -0.458 5.525 0.632) 5.580 17.552 ( -0.676 -5.831 -0.357) 5.881 17.752 ( 3.461 3.169 -3.100) 5.625 17.852 ( 2.492 -1.126 1.680) 3.209 18.493 ( 12.983 0.449 -1.541) 13.082 18.566 ( 12.832 -3.982 2.820) 13.728 22.868 ( -5.823 0.373 -2.367) 6.297 23.295 ( -4.924 1.689 8.773) 10.201 28.308 ( -1.167 1.281 -0.863) 1.936 28.342 ( 0.012 -0.963 1.681) 1.937 28.881 ( 3.684 -0.505 -15.907) 16.335 29.712 ( -19.038 -3.571 -10.003) 21.801 30.788 ( -6.718 -0.169 11.639) 13.440 30.903 ( -5.404 1.660 5.090) 7.607 31.134 ( 8.157 2.267 -9.153) 12.468 31.304 ( 8.799 5.636 -7.187) 12.682 32.017 ( 14.397 11.840 -3.017) 18.883 32.450 ( 22.253 -14.989 -18.583) 32.638 34.163 ( -17.902 3.808 13.385) 22.674 35.085 ( -5.799 -1.737 13.857) 15.121 45.462 ( 0.451 -1.337 3.451) 3.728 45.799 ( 5.163 -0.644 -1.683) 5.469 89.183 ( 9.975 1.717 -7.513) 12.605 89.574 ( 1.992 6.240 -1.410) 6.700 89.614 ( 14.891 1.799 1.204) 15.048 90.000 ( 16.611 -10.811 6.295) 20.795 ======================= Grid point 220 (99/196) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 4.505 -1.776 4.072) 6.327 2.407 ( 10.166 -1.110 10.557) 14.697 2.772 ( -3.034 4.005 -11.666) 12.702 2.843 ( 9.975 9.255 -0.407) 13.614 3.293 ( 10.066 1.145 -8.877) 13.470 3.596 ( 12.513 -7.526 0.425) 14.608 4.047 ( 3.707 0.744 -2.191) 4.370 4.125 ( 9.005 -13.839 -1.157) 16.551 4.360 ( -1.561 3.941 2.241) 4.795 4.633 ( -0.663 -0.847 4.477) 4.604 4.789 ( 6.906 2.394 -6.063) 9.496 5.367 ( 9.876 -8.092 -4.210) 13.444 6.063 ( -10.091 3.315 6.915) 12.674 6.317 ( 10.380 -9.814 0.488) 14.294 7.114 ( 6.555 0.089 7.155) 9.704 7.198 ( -1.820 0.339 -0.049) 1.852 7.451 ( 19.042 7.357 -1.137) 20.445 7.986 ( 7.754 -5.461 0.515) 9.498 8.269 ( -8.561 -0.914 4.587) 9.756 8.892 ( -9.435 5.029 -6.036) 12.278 9.541 ( 8.937 -3.195 1.925) 9.685 9.944 ( -2.452 3.974 -7.682) 8.990 10.501 ( -5.816 -1.315 -2.144) 6.337 10.542 ( 1.851 0.090 5.168) 5.490 11.766 ( -3.240 1.986 1.681) 4.155 11.862 ( -2.245 1.982 -1.684) 3.435 14.781 ( -2.824 -0.878 2.109) 3.633 15.220 ( 0.301 1.770 -1.110) 2.111 17.297 ( -0.969 5.245 -1.562) 5.558 17.621 ( -1.117 -5.659 1.508) 5.961 17.742 ( 2.580 2.586 -1.234) 3.856 17.910 ( 1.893 -0.947 0.711) 2.233 18.650 ( 8.260 -1.362 -1.046) 8.436 18.773 ( 5.546 -2.860 2.709) 6.802 22.782 ( -3.034 -0.155 -2.156) 3.726 23.223 ( -8.095 2.169 6.426) 10.561 28.256 ( -1.521 1.963 -1.539) 2.922 28.369 ( -0.471 -1.463 1.856) 2.410 28.903 ( 10.502 0.409 -10.050) 14.542 29.413 ( -19.759 -7.883 -10.162) 23.576 30.754 ( -8.757 0.409 10.598) 13.754 30.834 ( -5.200 1.213 3.972) 6.655 31.111 ( -2.404 -2.449 -4.431) 5.605 31.342 ( 15.128 9.739 -6.606) 19.166 32.049 ( 10.249 12.183 2.508) 16.117 32.747 ( 15.929 -9.011 -21.146) 27.966 34.037 ( -7.150 0.495 10.865) 13.016 35.095 ( -8.005 -1.482 11.684) 14.240 45.517 ( 0.686 -1.825 3.117) 3.676 45.875 ( 5.682 0.082 -1.356) 5.842 89.231 ( 4.945 0.980 -3.177) 5.958 89.463 ( -5.458 2.898 -2.396) 6.628 89.764 ( 9.629 2.595 -2.830) 10.367 90.441 ( 15.507 -6.522 11.279) 20.254 ======================= Grid point 221 (100/196) ======================= q-point: ( 0.40 0.10 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 1.706 -0.660 -4.614) 4.963 2.490 ( 0.020 4.484 -10.870) 11.759 2.625 ( 8.442 10.240 3.225) 13.657 2.888 ( 4.641 2.204 3.605) 6.276 3.361 ( 7.405 1.470 -4.685) 8.886 3.746 ( 1.996 -1.717 -2.348) 3.528 4.006 ( 0.256 2.753 -3.517) 4.474 4.327 ( -0.679 1.306 0.154) 1.480 4.422 ( 11.722 -5.880 -2.538) 13.358 4.657 ( -0.143 2.916 4.132) 5.059 4.805 ( 3.429 1.053 -3.559) 5.053 5.577 ( 1.716 -6.538 7.593) 10.166 5.952 ( -3.884 -1.556 -0.427) 4.206 6.594 ( 6.997 -6.890 0.337) 9.825 7.093 ( -1.153 3.011 -0.868) 3.339 7.210 ( -1.346 -0.176 7.229) 7.356 7.590 ( 1.496 5.896 2.346) 6.519 8.144 ( 0.306 -3.002 3.266) 4.447 8.299 ( 9.787 -4.105 -1.648) 10.740 8.626 ( -10.075 2.873 -3.246) 10.968 9.692 ( 4.598 4.261 -6.056) 8.716 9.858 ( 6.064 -0.805 4.017) 7.318 10.339 ( -9.059 -2.064 -6.732) 11.474 10.678 ( 4.239 -0.363 5.472) 6.931 11.716 ( -1.734 1.470 1.554) 2.753 11.797 ( -1.748 1.157 -1.480) 2.566 14.783 ( -0.127 -0.988 1.318) 1.652 15.193 ( 1.344 2.939 -1.350) 3.503 17.213 ( -0.402 3.966 -2.016) 4.467 17.678 ( -2.065 -4.744 1.944) 5.527 17.746 ( 1.657 1.363 0.087) 2.147 17.940 ( 0.514 -0.452 0.411) 0.799 18.745 ( 0.574 -3.289 -0.372) 3.359 18.838 ( -1.744 -0.608 1.642) 2.471 22.755 ( 0.309 -1.085 -1.826) 2.147 23.124 ( -7.057 0.472 4.087) 8.169 28.197 ( -1.244 1.856 -1.663) 2.785 28.391 ( -0.584 -1.564 1.372) 2.161 28.927 ( -3.908 -1.257 -9.390) 10.248 29.259 ( -2.407 -7.861 -4.920) 9.581 30.676 ( -8.994 1.551 8.741) 12.637 30.786 ( -4.848 -1.053 3.578) 6.117 31.088 ( -2.027 -3.043 -1.972) 4.154 31.397 ( 13.287 8.150 -5.277) 16.456 32.046 ( 6.133 12.435 6.402) 15.271 32.855 ( 10.147 -2.574 -20.976) 23.443 34.074 ( -0.893 -3.858 7.089) 8.120 35.062 ( -8.867 -1.327 9.620) 13.150 45.567 ( 0.210 -1.347 2.936) 3.237 45.937 ( 5.401 1.765 -1.421) 5.857 89.264 ( 2.934 1.499 -2.829) 4.343 89.325 ( -8.309 -0.963 0.060) 8.365 89.797 ( 1.832 2.158 -2.897) 4.050 90.756 ( 7.591 -3.510 9.524) 12.675 ======================= Grid point 222 (101/196) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -5.882 8.270 -11.032) 14.990 2.440 ( 8.515 7.060 -2.168) 11.272 2.647 ( 6.123 7.828 -0.097) 9.939 2.959 ( 1.427 0.060 5.654) 5.832 3.386 ( 3.156 3.626 -2.207) 5.289 3.697 ( -2.397 1.766 -5.014) 5.831 3.992 ( 2.674 1.186 -2.332) 3.741 4.300 ( 0.205 3.492 2.936) 4.567 4.553 ( 9.098 4.514 -6.652) 12.141 4.601 ( -4.203 3.550 2.781) 6.165 4.769 ( -5.275 3.937 2.341) 6.987 5.650 ( -6.786 -1.584 9.101) 11.463 6.017 ( 3.636 -7.961 -2.325) 9.056 6.589 ( -7.008 2.131 -1.684) 7.516 7.075 ( -2.248 2.016 -3.141) 4.357 7.288 ( 0.575 -5.685 8.531) 10.267 7.420 ( -7.437 7.724 0.066) 10.723 8.048 ( -13.232 2.097 5.527) 14.492 8.483 ( 4.934 -1.408 -0.377) 5.144 8.651 ( 12.334 -7.358 -5.564) 15.402 9.590 ( 1.642 6.501 -5.455) 8.643 10.106 ( 12.453 -3.030 7.124) 14.664 10.178 ( -6.850 0.909 -6.658) 9.595 10.733 ( -1.614 -1.201 1.619) 2.582 11.709 ( 0.799 0.094 1.178) 1.426 11.770 ( -0.094 -0.979 -1.267) 1.603 14.822 ( 2.352 -0.946 1.477) 2.934 15.174 ( 3.493 3.150 -2.082) 5.144 17.162 ( 0.867 2.353 -1.465) 2.904 17.697 ( -3.669 -2.938 1.103) 4.828 17.758 ( 0.869 0.286 0.970) 1.333 17.947 ( -0.337 -0.178 0.385) 0.542 18.716 ( -10.139 -1.607 1.251) 10.342 18.790 ( -5.994 -2.018 -0.616) 6.355 22.780 ( 2.330 -1.223 -1.964) 3.284 23.090 ( -2.926 -3.363 3.382) 5.596 28.156 ( -0.347 0.689 -1.248) 1.467 28.410 ( -0.512 -1.007 0.651) 1.304 28.723 ( -17.237 -7.185 -9.878) 21.126 29.411 ( 12.444 -2.371 0.163) 12.669 30.580 ( -9.589 0.961 6.983) 11.901 30.766 ( -3.914 -1.965 3.697) 5.732 31.100 ( 0.181 -2.498 -0.892) 2.659 31.449 ( 10.092 5.515 -4.855) 12.484 32.010 ( 2.577 11.968 8.492) 14.900 32.834 ( 7.848 2.137 -20.946) 22.470 34.171 ( -0.136 -4.992 4.042) 6.425 35.023 ( -8.628 -3.088 8.849) 12.739 45.596 ( -0.746 -0.176 3.036) 3.131 45.965 ( 4.506 3.770 -1.916) 6.180 89.149 ( -8.637 0.267 -3.150) 9.198 89.333 ( -0.339 -2.782 2.473) 3.738 89.731 ( -4.899 1.240 -2.140) 5.488 90.903 ( 0.061 -2.851 4.505) 5.331 ======================= Grid point 223 (102/196) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -5.804 11.657 1.264) 13.083 2.435 ( 10.112 16.479 -1.738) 19.412 2.594 ( -1.399 3.677 -1.669) 4.273 3.001 ( 0.156 1.538 4.933) 5.169 3.326 ( -1.240 7.307 1.231) 7.513 3.623 ( -1.059 0.279 -2.082) 2.352 3.956 ( -1.804 3.510 -5.029) 6.393 4.291 ( -2.192 4.145 7.084) 8.495 4.455 ( -10.899 9.903 6.179) 15.969 4.493 ( 4.958 7.933 -9.813) 13.557 4.626 ( -5.757 4.643 3.943) 8.382 5.558 ( -8.050 3.139 0.388) 8.649 6.143 ( -2.483 -7.461 4.024) 8.833 6.464 ( -5.031 2.408 2.453) 6.093 6.948 ( -8.425 -6.515 -7.174) 12.841 7.130 ( -2.949 12.660 -5.843) 14.252 7.526 ( 7.475 -2.902 6.046) 10.042 7.901 ( -7.420 3.627 5.986) 10.200 8.525 ( -1.196 -1.639 0.273) 2.047 8.872 ( 8.367 -6.461 -6.169) 12.240 9.494 ( -3.631 2.749 -3.613) 5.813 10.027 ( -1.355 4.552 -4.428) 6.493 10.378 ( 10.902 -3.752 6.366) 13.170 10.690 ( -6.964 -2.638 -2.456) 7.842 11.744 ( 1.728 -1.295 0.286) 2.178 11.800 ( 1.542 -2.967 -1.105) 3.522 14.891 ( 3.263 -0.380 2.758) 4.290 15.197 ( 7.207 2.658 -3.051) 8.265 17.161 ( 2.496 0.613 -0.205) 2.578 17.667 ( -4.476 -1.541 0.411) 4.752 17.772 ( 0.415 0.184 0.654) 0.796 17.942 ( -0.752 -0.001 0.168) 0.771 18.525 ( -15.238 1.575 0.809) 15.340 18.692 ( -13.227 -5.416 -1.053) 14.331 22.818 ( 2.928 -0.899 -1.875) 3.591 23.172 ( 0.121 -7.920 3.464) 8.645 28.155 ( 0.851 -1.085 -0.839) 1.614 28.370 ( -8.345 -0.755 -2.378) 8.710 28.529 ( -10.222 -6.633 -4.480) 12.983 29.650 ( 15.541 -0.564 1.839) 15.660 30.457 ( -11.992 -0.201 4.015) 12.648 30.778 ( -2.298 -1.928 5.428) 6.202 31.141 ( 2.472 -1.805 -0.907) 3.192 31.482 ( 6.174 2.546 -5.440) 8.613 31.935 ( -1.113 12.178 9.200) 15.302 32.737 ( 7.697 6.424 -21.675) 23.882 34.250 ( -0.135 -4.543 2.416) 5.147 35.027 ( -8.503 -7.455 9.158) 14.551 45.593 ( -1.872 1.261 3.405) 4.085 45.948 ( 3.444 5.381 -2.745) 6.953 88.994 ( -9.639 -0.707 -2.475) 9.976 89.371 ( -5.825 -6.225 2.642) 8.925 89.606 ( -6.527 1.930 -0.882) 6.864 90.904 ( -6.121 -3.132 -2.388) 7.278 ======================= Grid point 224 (103/196) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -5.825 11.561 16.156) 20.703 2.221 ( -3.372 25.200 4.911) 25.894 2.520 ( -3.562 3.496 -2.044) 5.394 3.007 ( 3.544 4.884 2.159) 6.409 3.188 ( -5.587 9.928 5.483) 12.643 3.607 ( -8.895 4.623 2.922) 10.442 3.707 ( -9.751 7.138 -1.587) 12.188 4.117 ( -5.502 8.104 -1.301) 9.881 4.294 ( -6.434 9.971 7.170) 13.865 4.397 ( 10.157 11.796 -6.425) 16.840 4.571 ( -4.105 -3.477 4.277) 6.873 5.410 ( -2.246 4.039 -2.729) 5.367 6.172 ( -7.972 -3.970 4.814) 10.123 6.386 ( -2.249 3.031 2.123) 4.330 6.920 ( 2.239 10.888 -5.400) 12.358 6.973 ( 0.946 -12.799 -9.656) 16.060 7.680 ( 8.080 2.751 2.589) 8.920 7.785 ( -5.207 5.270 3.857) 8.352 8.503 ( -3.507 -0.344 0.511) 3.561 8.960 ( 1.867 -2.211 -4.449) 5.308 9.326 ( -12.644 -1.399 -6.351) 14.219 9.982 ( 5.000 5.263 -0.106) 7.260 10.561 ( -9.371 -3.090 -4.477) 10.835 10.612 ( 3.981 -7.194 2.894) 8.717 11.787 ( 0.810 -2.126 -0.351) 2.302 11.863 ( 1.872 -3.953 -1.335) 4.573 14.956 ( 2.169 1.175 4.487) 5.120 15.277 ( 10.474 1.838 -4.095) 11.395 17.220 ( 4.304 -1.165 1.480) 4.698 17.620 ( -4.925 -1.963 0.068) 5.302 17.779 ( 1.857 1.338 -0.111) 2.292 17.930 ( -0.256 0.368 -0.277) 0.527 18.259 ( -16.774 2.300 0.135) 16.932 18.509 ( -20.058 -6.071 -1.789) 21.032 22.871 ( 3.850 -1.180 -0.772) 4.100 23.313 ( -2.300 -11.638 2.606) 12.146 28.157 ( -6.833 -2.270 -3.535) 8.022 28.232 ( -2.466 -0.315 4.798) 5.404 28.491 ( -1.781 -1.855 -2.014) 3.266 29.911 ( 16.574 -0.175 1.993) 16.695 30.280 ( -15.110 -0.900 1.043) 15.173 30.822 ( -1.665 -1.679 7.708) 8.062 31.204 ( 4.217 -1.591 -1.885) 4.886 31.480 ( 0.957 -0.262 -6.486) 6.562 31.791 ( -4.244 14.233 8.654) 17.190 32.588 ( 8.901 10.796 -22.352) 26.370 34.344 ( 2.343 -5.365 2.959) 6.559 35.087 ( -10.427 -13.258 8.705) 18.981 45.559 ( -2.819 2.546 3.863) 5.418 45.895 ( 2.613 6.027 -3.698) 7.538 88.850 ( -8.182 -0.616 -2.052) 8.457 89.297 ( -22.041 -12.525 -0.807) 25.364 89.529 ( 2.024 5.377 3.348) 6.649 90.755 ( -11.018 -0.643 -10.670) 15.351 ======================= Grid point 225 (104/196) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -5.073 10.107 24.753) 27.214 1.834 ( -14.873 22.879 14.814) 31.050 2.279 ( -11.255 17.962 5.923) 22.009 2.919 ( -7.616 14.131 2.319) 16.219 3.088 ( 2.479 5.270 5.559) 8.051 3.162 ( -12.921 13.657 -1.040) 18.830 3.699 ( 1.651 4.513 0.206) 4.810 3.916 ( -0.742 10.539 -2.213) 10.795 4.211 ( 0.073 -0.685 6.314) 6.351 4.399 ( 9.753 6.754 -2.978) 12.231 4.613 ( 0.871 -1.605 2.244) 2.894 5.354 ( 3.427 3.758 -3.604) 6.233 6.076 ( -6.563 4.033 -0.766) 7.741 6.397 ( 3.291 -2.708 -0.143) 4.264 6.799 ( 0.674 5.331 -5.323) 7.563 7.099 ( -0.782 -10.508 -4.458) 11.442 7.655 ( 1.568 6.625 3.998) 7.895 7.790 ( 6.670 1.952 -3.127) 7.621 8.446 ( -3.596 1.772 1.390) 4.243 8.958 ( 1.369 0.551 -3.507) 3.805 9.084 ( -14.531 -0.687 -3.505) 14.963 9.959 ( -1.609 4.533 -2.971) 5.653 10.453 ( -3.183 -4.024 -3.190) 6.041 10.724 ( -5.898 -8.255 0.894) 10.184 11.818 ( -0.286 -2.529 0.196) 2.553 11.929 ( 1.318 -4.039 -1.698) 4.575 14.989 ( 0.812 2.811 5.487) 6.218 15.378 ( 9.215 1.345 -4.842) 10.496 17.338 ( 5.584 -2.916 2.805) 6.896 17.571 ( -6.582 -3.818 -0.144) 7.610 17.804 ( 5.905 2.817 -0.789) 6.590 17.929 ( 1.812 1.021 -0.483) 2.136 17.995 ( -14.488 1.650 0.407) 14.587 18.217 ( -22.971 -2.076 -3.003) 23.259 22.953 ( 4.636 -1.509 1.113) 5.001 23.394 ( -10.137 -12.454 -0.202) 16.059 28.118 ( 1.953 -1.039 6.942) 7.286 28.326 ( 7.104 -0.477 6.611) 9.716 28.476 ( 2.101 0.617 -1.238) 2.515 30.004 ( -14.408 -1.471 -8.023) 16.557 30.210 ( 12.361 0.302 7.840) 14.641 30.876 ( -2.452 -1.449 9.362) 9.786 31.249 ( -0.678 -0.902 -6.349) 6.448 31.408 ( -3.396 0.784 -2.499) 4.289 31.619 ( -0.675 11.669 5.067) 12.739 32.406 ( 10.902 15.175 -21.758) 28.680 34.504 ( 3.924 -6.662 5.638) 9.569 35.161 ( -14.932 -18.311 5.534) 24.266 45.506 ( -3.144 3.233 4.186) 6.153 45.824 ( 2.040 5.609 -4.401) 7.416 88.751 ( -3.325 -0.234 -1.582) 3.689 89.047 ( -29.316 -10.931 -2.149) 31.361 89.531 ( 1.388 4.844 5.507) 7.464 90.438 ( -10.654 7.882 -15.924) 20.717 ======================= Grid point 226 (105/196) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -10.883 19.750 21.062) 30.856 1.511 ( -3.971 16.433 23.027) 28.567 2.031 ( 1.228 14.228 17.879) 22.883 2.577 ( -12.171 17.771 8.227) 23.057 2.868 ( -1.650 7.191 -2.986) 7.959 3.157 ( 3.698 6.049 2.583) 7.546 3.616 ( 7.560 6.801 -7.728) 12.772 3.879 ( 2.026 3.587 5.576) 6.933 4.320 ( 5.099 -0.845 1.778) 5.466 4.479 ( 10.327 -1.179 -7.252) 12.674 4.662 ( 2.248 -1.035 2.015) 3.192 5.317 ( 5.996 7.738 -9.658) 13.751 5.895 ( -4.071 7.521 -0.339) 8.559 6.444 ( -4.012 -3.679 -9.124) 10.624 6.735 ( -5.517 -2.807 3.964) 7.351 7.159 ( -2.954 -8.320 2.775) 9.255 7.698 ( 2.611 4.285 -1.407) 5.211 7.822 ( 6.862 -0.808 -4.709) 8.362 8.379 ( -2.462 2.690 2.073) 4.195 8.827 ( -4.013 0.260 -6.537) 7.675 9.117 ( 16.001 3.484 9.050) 18.711 9.771 ( -9.360 2.276 -8.458) 12.819 10.534 ( 5.600 -3.357 1.571) 6.715 10.658 ( -12.171 -4.410 -0.451) 12.953 11.853 ( -0.605 -3.052 1.373) 3.400 11.976 ( 0.431 -3.233 -1.843) 3.747 14.988 ( -1.962 2.773 5.730) 6.661 15.422 ( 3.429 1.212 -5.446) 6.549 17.453 ( -5.355 -4.634 3.296) 7.811 17.537 ( -0.254 -4.478 -0.608) 4.527 17.795 ( -10.930 2.030 0.356) 11.123 17.832 ( -3.406 3.108 0.758) 4.673 17.941 ( 7.032 3.532 -2.414) 8.231 17.983 ( 4.605 2.516 -1.164) 5.374 23.061 ( 4.682 -1.555 3.542) 6.073 23.310 ( -15.305 -6.694 -1.686) 16.790 28.249 ( 2.254 -3.527 2.708) 4.985 28.389 ( -0.754 0.937 -1.265) 1.746 28.898 ( 45.197 -8.623 12.778) 47.754 29.687 ( -18.550 -0.514 -11.064) 21.605 30.460 ( 11.955 -0.073 7.229) 13.970 30.910 ( -5.328 -0.708 8.715) 10.239 31.025 ( -11.886 4.717 -5.826) 14.052 31.431 ( 3.432 -1.777 -3.965) 5.537 31.568 ( 3.046 3.345 3.330) 5.617 32.215 ( 13.405 18.843 -19.465) 30.227 34.683 ( -1.231 -8.047 9.669) 12.640 35.142 ( -20.373 -14.112 1.784) 24.847 45.453 ( -2.613 2.891 4.272) 5.782 45.755 ( 1.827 4.302 -4.153) 6.253 88.730 ( -13.655 -2.029 0.812) 13.828 88.766 ( 2.214 -0.368 -0.505) 2.301 89.514 ( -1.121 4.826 6.259) 7.983 90.091 ( -2.362 11.833 -12.276) 17.213 ======================= Grid point 229 (106/196) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.786 0.000 8.391) 8.428 2.422 ( 15.263 0.000 13.955) 20.681 2.764 ( -0.496 -0.000 -13.566) 13.575 3.138 ( 8.074 0.000 5.229) 9.619 3.283 ( 23.287 0.000 -12.671) 26.511 3.481 ( 15.101 0.000 0.201) 15.102 3.849 ( 4.546 0.000 -4.068) 6.100 4.049 ( 5.322 0.000 0.014) 5.322 4.440 ( -4.821 -0.000 -3.214) 5.794 4.593 ( 0.026 0.000 6.768) 6.768 4.852 ( 12.997 0.000 -2.608) 13.256 5.247 ( 11.545 0.000 -14.144) 18.258 6.150 ( -14.301 -0.000 16.206) 21.613 6.153 ( 13.689 0.000 -2.984) 14.010 7.076 ( -10.480 -0.000 8.204) 13.309 7.208 ( 19.656 0.000 1.038) 19.683 7.608 ( 13.647 0.000 -0.643) 13.662 7.869 ( 8.489 0.000 -3.122) 9.045 8.261 ( -10.351 -0.000 4.672) 11.356 8.963 ( -9.465 -0.000 -6.742) 11.620 9.499 ( 8.550 0.000 3.668) 9.304 9.997 ( 1.437 0.000 -9.220) 9.331 10.490 ( -14.200 -0.000 -5.027) 15.063 10.538 ( 6.922 0.000 8.469) 10.937 11.794 ( -3.842 -0.000 1.850) 4.265 11.890 ( -2.609 -0.000 -1.877) 3.214 14.770 ( -2.608 -0.000 2.401) 3.545 15.246 ( 0.902 0.000 -0.344) 0.966 17.444 ( -1.276 -0.000 -4.352) 4.536 17.464 ( -1.130 -0.000 3.994) 4.151 17.807 ( 3.520 0.000 -3.407) 4.898 17.874 ( 0.453 0.000 2.020) 2.071 18.635 ( 7.323 0.000 -2.382) 7.701 18.722 ( 6.863 0.000 4.783) 8.366 22.779 ( -3.858 -0.000 -2.195) 4.438 23.253 ( -9.801 -0.000 7.288) 12.214 28.291 ( -1.650 -0.000 -0.794) 1.832 28.338 ( -0.679 -0.000 1.054) 1.254 28.914 ( 12.702 0.000 -8.915) 15.518 29.306 ( -21.254 -0.000 -10.306) 23.621 30.754 ( -8.288 -0.000 9.965) 12.961 30.861 ( -6.736 -0.000 6.055) 9.057 31.073 ( -2.855 -0.000 -6.319) 6.934 31.456 ( 10.119 0.000 -8.098) 12.961 32.339 ( 18.867 0.000 -11.326) 22.005 32.520 ( 17.282 0.000 -11.147) 20.565 34.062 ( -10.764 -0.000 11.674) 15.880 35.058 ( -9.543 -0.000 13.780) 16.761 45.493 ( 1.523 0.000 2.898) 3.274 45.876 ( 6.617 0.000 -1.041) 6.698 89.238 ( 2.051 0.000 -1.049) 2.304 89.507 ( -5.931 -0.000 -6.328) 8.672 89.821 ( 10.797 0.000 -8.328) 13.636 90.341 ( 19.001 0.000 19.183) 27.000 ======================= Grid point 230 (107/196) ======================= q-point: ( 0.30 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 4.187 -0.661 3.508) 5.502 2.558 ( 3.864 1.821 -15.371) 15.954 2.779 ( 6.733 1.452 10.357) 12.438 3.174 ( 5.831 13.136 3.773) 14.859 3.428 ( 13.634 4.288 -10.156) 17.533 3.691 ( 9.226 -1.639 -0.902) 9.414 4.014 ( 4.016 -7.319 -2.982) 8.865 4.117 ( 6.039 -5.810 -2.653) 8.790 4.353 ( -0.688 -1.295 -3.565) 3.855 4.657 ( -0.189 -0.766 5.689) 5.743 4.982 ( 14.904 8.536 -6.229) 18.270 5.383 ( 10.705 -7.390 -6.643) 14.607 6.015 ( -13.436 3.965 13.245) 19.279 6.426 ( 15.255 -4.829 2.678) 16.224 6.989 ( -10.397 -4.262 5.295) 12.421 7.333 ( -2.103 3.489 2.579) 4.821 7.740 ( 3.783 5.383 2.328) 6.979 8.019 ( 5.096 -5.114 0.152) 7.221 8.234 ( 10.232 -1.275 -3.661) 10.942 8.706 ( -15.734 2.230 -3.525) 16.277 9.708 ( 12.758 -0.889 6.074) 14.158 9.935 ( 2.440 3.857 -8.607) 9.742 10.261 ( -11.319 -2.874 -6.553) 13.391 10.684 ( 4.351 0.387 6.806) 8.087 11.747 ( -3.188 0.762 1.838) 3.758 11.828 ( -2.884 0.868 -1.849) 3.534 14.770 ( 0.449 -0.165 1.784) 1.847 15.255 ( 1.679 1.503 -0.313) 2.275 17.340 ( -0.982 5.671 -2.367) 6.223 17.527 ( -2.212 -6.391 1.953) 7.040 17.807 ( 1.931 3.017 -0.765) 3.663 17.904 ( -0.156 -2.269 0.604) 2.353 18.680 ( -0.739 -1.474 -1.371) 2.144 18.809 ( -0.511 -0.974 3.104) 3.293 22.731 ( -0.912 -0.594 -1.726) 2.040 23.134 ( -10.480 0.268 4.459) 11.392 28.247 ( -1.667 1.682 -0.945) 2.550 28.342 ( -1.249 -1.791 0.669) 2.284 28.916 ( -17.341 0.168 -8.896) 19.491 29.119 ( 12.529 -3.002 -1.943) 13.030 30.687 ( -9.072 -0.270 6.706) 11.285 30.800 ( -6.151 1.409 6.843) 9.309 31.011 ( -1.698 -2.288 -4.371) 5.218 31.511 ( 6.910 1.680 -7.145) 10.080 32.415 ( 14.510 13.459 -4.642) 20.328 32.733 ( 13.057 -7.035 -14.581) 20.798 34.025 ( -4.447 -0.309 9.096) 10.129 35.006 ( -11.491 -2.062 11.464) 16.362 45.543 ( 1.971 -0.488 2.501) 3.221 45.969 ( 7.016 0.643 -0.979) 7.113 89.257 ( -0.663 -0.583 2.727) 2.867 89.344 ( -8.553 0.843 -5.609) 10.262 89.852 ( 3.440 1.566 -8.079) 8.920 90.707 ( 9.818 -0.758 16.894) 19.555 ======================= Grid point 231 (108/196) ======================= q-point: ( 0.40 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 2.527 5.678 -6.442) 8.951 2.507 ( 7.042 0.096 -8.501) 11.039 2.914 ( 5.714 3.815 8.384) 10.840 3.092 ( 4.348 13.871 3.382) 14.925 3.489 ( 10.078 5.331 -5.357) 12.597 3.754 ( 1.677 2.481 -4.117) 5.091 4.010 ( -0.279 0.487 -0.684) 0.885 4.253 ( 0.573 -5.660 -2.678) 6.288 4.502 ( 9.475 -8.297 -1.996) 12.751 4.663 ( -5.300 -0.367 4.421) 6.912 4.995 ( 14.109 14.416 -8.315) 21.818 5.588 ( 1.937 -4.674 6.695) 8.391 5.893 ( -4.675 -0.803 3.153) 5.696 6.595 ( -2.196 -1.020 -3.391) 4.167 7.056 ( 0.302 -9.642 12.097) 15.473 7.144 ( -15.547 2.610 2.118) 15.906 7.657 ( -1.238 8.893 -0.099) 8.979 8.059 ( -7.825 -1.755 1.237) 8.114 8.456 ( 10.083 -0.761 -3.767) 10.790 8.515 ( 3.210 -2.832 -3.743) 5.686 9.780 ( 2.027 7.915 -6.777) 10.616 10.032 ( 12.814 -2.369 8.062) 15.323 10.143 ( -4.123 -3.701 -7.467) 9.298 10.731 ( -2.760 0.694 3.657) 4.633 11.719 ( -0.970 0.471 1.517) 1.861 11.766 ( -2.112 0.445 -1.649) 2.716 14.817 ( 4.087 0.196 1.811) 4.474 15.256 ( 3.376 2.811 -1.446) 4.625 17.250 ( -0.033 4.498 -1.812) 4.850 17.578 ( -3.453 -5.904 1.796) 7.071 17.790 ( 0.605 2.297 0.593) 2.449 17.927 ( -0.434 -1.579 0.159) 1.646 18.628 ( -9.497 -3.476 -0.325) 10.118 18.773 ( -7.561 -0.431 1.089) 7.651 22.742 ( 1.926 -1.454 -1.505) 2.844 23.029 ( -7.323 -1.478 2.564) 7.899 28.192 ( -1.254 1.951 -1.106) 2.569 28.357 ( -1.083 -2.700 0.517) 2.955 28.602 ( -18.149 -2.615 -6.383) 19.416 29.366 ( 14.994 -1.237 2.667) 15.279 30.586 ( -10.185 -0.511 3.385) 10.745 30.755 ( -4.153 1.199 7.031) 8.253 31.015 ( 0.267 -3.543 -2.313) 4.240 31.526 ( 4.577 1.255 -6.767) 8.266 32.393 ( 8.779 15.530 2.220) 17.977 32.845 ( 10.987 -1.695 -17.988) 21.146 34.064 ( -1.391 -2.829 6.648) 7.357 34.939 ( -11.958 -3.309 9.037) 15.350 45.594 ( 1.711 -0.012 2.428) 2.970 46.043 ( 6.301 2.226 -1.496) 6.848 89.160 ( -9.886 0.449 -4.052) 10.693 89.269 ( -3.941 -1.863 4.618) 6.351 89.783 ( -1.596 2.162 -6.272) 6.823 90.890 ( 1.442 0.812 10.704) 10.831 ======================= Grid point 232 (109/196) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 1.898 11.544 -4.106) 12.398 2.590 ( 9.607 2.082 -5.077) 11.063 2.974 ( 10.336 14.451 0.825) 17.786 3.030 ( -2.215 2.063 9.538) 10.007 3.494 ( 5.312 7.991 -2.651) 9.955 3.671 ( -1.011 2.810 -4.358) 5.283 4.007 ( 0.187 0.952 -1.350) 1.663 4.312 ( 0.620 -2.798 2.413) 3.746 4.525 ( -14.250 3.377 6.041) 15.842 4.659 ( -0.242 -2.835 -0.370) 2.869 4.925 ( 12.945 17.759 -8.947) 23.727 5.588 ( -9.103 0.203 7.414) 11.741 5.981 ( 4.581 -5.746 -1.987) 7.613 6.480 ( -6.598 -2.521 -1.907) 7.316 6.825 ( -21.633 -1.020 1.100) 21.685 7.383 ( 10.130 -7.144 9.954) 15.898 7.477 ( -1.345 12.629 -5.126) 13.695 7.955 ( -5.887 0.498 2.637) 6.470 8.477 ( -0.102 -1.934 -0.752) 2.078 8.730 ( 13.515 -4.122 -5.992) 15.348 9.624 ( -5.475 6.631 -3.999) 9.484 10.103 ( 2.632 0.716 -5.628) 6.254 10.302 ( 10.301 -2.303 7.206) 12.780 10.643 ( -10.049 -0.660 -0.141) 10.071 11.722 ( 0.139 -0.397 0.026) 0.422 11.743 ( -0.164 -1.415 -0.778) 1.623 14.909 ( 7.177 1.328 2.503) 7.716 15.276 ( 6.750 3.243 -2.592) 7.924 17.202 ( 1.319 2.723 -0.865) 3.147 17.594 ( -5.019 -4.381 1.418) 6.812 17.779 ( 0.271 1.000 0.537) 1.167 17.935 ( -0.599 -0.722 -0.032) 0.939 18.488 ( -15.951 -4.303 1.036) 16.554 18.618 ( -13.388 -0.304 -0.766) 13.413 22.787 ( 2.797 -1.381 -1.670) 3.538 23.008 ( -3.041 -4.854 2.090) 6.098 28.151 ( -0.548 0.817 -1.574) 1.856 28.344 ( -11.178 -1.108 -1.163) 11.293 28.398 ( -3.946 -4.097 0.193) 5.691 29.626 ( 14.257 -1.075 4.416) 14.964 30.443 ( -11.870 -0.849 0.077) 11.901 30.753 ( -2.340 0.243 8.193) 8.524 31.066 ( 2.299 -3.612 -2.010) 4.730 31.515 ( 1.948 0.428 -6.659) 6.952 32.317 ( 4.097 16.009 5.728) 17.489 32.859 ( 11.089 2.854 -20.140) 23.168 34.134 ( -1.187 -4.045 5.016) 6.552 34.875 ( -11.677 -4.847 7.762) 14.836 45.626 ( 0.903 1.186 2.743) 3.122 46.072 ( 4.812 4.100 -2.438) 6.776 88.985 ( -9.589 -0.096 -2.971) 10.039 89.230 ( -11.353 -3.817 4.198) 12.692 89.692 ( -0.262 3.434 -2.641) 4.340 90.903 ( -3.832 1.844 3.552) 5.541 ======================= Grid point 233 (110/196) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.743 14.462 7.204) 16.175 2.617 ( 3.167 5.553 -5.407) 8.373 2.858 ( 5.647 19.913 3.305) 20.960 3.103 ( 4.951 2.443 5.956) 8.121 3.423 ( 0.177 7.803 1.312) 7.915 3.635 ( 2.138 1.065 0.530) 2.447 3.893 ( -10.023 7.433 -2.051) 12.646 4.254 ( -11.468 3.960 4.070) 12.797 4.410 ( -0.768 -4.287 4.313) 6.130 4.581 ( -10.078 4.428 1.894) 11.170 4.820 ( 14.135 19.424 -7.748) 25.241 5.463 ( -9.424 1.514 1.146) 9.614 6.061 ( -1.898 -4.618 2.621) 5.639 6.489 ( -1.793 4.239 5.671) 7.304 6.612 ( -7.194 -13.627 -9.007) 17.849 7.260 ( 1.973 13.283 -8.441) 15.862 7.646 ( 6.903 -4.245 5.963) 10.061 7.891 ( -3.939 2.453 2.063) 5.078 8.496 ( 1.514 -0.332 -0.610) 1.666 8.896 ( 8.803 -2.049 -5.421) 10.539 9.384 ( -12.673 5.024 -2.545) 13.868 10.115 ( 5.880 4.619 -0.678) 7.508 10.462 ( -10.555 -3.631 -3.037) 11.568 10.495 ( 1.351 -2.691 3.399) 4.540 11.735 ( 0.064 -1.824 -0.853) 2.015 11.773 ( 0.645 -2.894 -0.768) 3.063 15.019 ( 7.672 3.201 3.662) 9.084 15.340 ( 9.867 2.961 -3.422) 10.855 17.210 ( 2.841 0.572 0.360) 2.920 17.560 ( -6.863 -2.905 0.982) 7.517 17.788 ( 1.746 -0.058 -0.144) 1.753 17.932 ( -0.113 -0.302 -0.313) 0.450 18.282 ( -17.795 -1.732 1.206) 17.919 18.391 ( -17.214 -2.087 -1.026) 17.370 22.836 ( 2.993 -1.437 -1.084) 3.493 23.073 ( -1.773 -7.492 1.625) 7.869 28.114 ( -3.354 -0.881 -2.070) 4.039 28.236 ( -3.319 0.424 6.885) 7.654 28.423 ( -0.783 -3.350 -0.856) 3.546 29.882 ( 13.186 -1.683 4.190) 13.938 30.254 ( -13.840 -1.111 -2.382) 14.088 30.793 ( -1.642 -0.428 9.702) 9.850 31.139 ( 3.844 -3.263 -3.109) 5.924 31.474 ( -0.874 -0.256 -6.513) 6.577 32.188 ( -0.122 16.109 6.531) 17.383 32.816 ( 12.449 6.853 -22.052) 26.234 34.211 ( -0.375 -4.765 4.758) 6.744 34.832 ( -11.982 -7.280 7.409) 15.857 45.629 ( -0.190 2.689 3.334) 4.288 46.047 ( 3.117 5.556 -3.544) 7.290 88.839 ( -7.509 -0.270 -2.165) 7.820 89.083 ( -17.987 -4.883 1.726) 18.718 89.664 ( 3.192 4.805 2.442) 6.264 90.794 ( -6.376 2.879 -3.454) 7.801 ======================= Grid point 234 (111/196) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -1.392 14.038 16.194) 21.476 2.369 ( -14.459 17.951 8.840) 24.687 2.789 ( 14.737 17.566 -3.510) 23.196 3.189 ( 7.386 3.807 3.856) 9.161 3.283 ( -4.667 13.556 2.004) 14.476 3.520 ( -13.541 13.424 0.184) 19.068 3.742 ( 6.027 -1.300 5.217) 8.076 4.131 ( -2.408 4.906 -1.414) 5.645 4.305 ( -14.543 7.415 3.727) 16.744 4.486 ( 2.908 -2.993 -3.173) 5.243 4.766 ( 12.924 16.260 0.827) 20.787 5.351 ( -7.582 -2.282 4.199) 8.963 6.077 ( -4.309 -1.442 1.427) 4.763 6.392 ( -3.858 0.886 1.206) 4.138 6.768 ( 5.262 -14.087 -10.317) 18.237 7.073 ( 4.089 12.807 -10.228) 16.892 7.748 ( -5.270 -0.887 1.957) 5.691 7.829 ( 2.891 2.686 2.089) 4.464 8.513 ( 2.542 3.017 0.073) 3.946 8.950 ( 1.575 0.261 -8.492) 8.640 9.153 ( -5.395 4.698 3.926) 8.160 10.068 ( -7.248 3.701 -2.695) 8.572 10.351 ( 0.290 -3.315 -3.341) 4.715 10.572 ( -2.916 -3.852 2.763) 5.565 11.753 ( -0.615 -2.445 -0.659) 2.606 11.821 ( 0.721 -4.064 -1.334) 4.338 15.093 ( 4.604 4.877 4.613) 8.140 15.427 ( 9.140 2.424 -4.080) 10.299 17.279 ( 4.360 -1.634 1.776) 4.983 17.483 ( -8.939 -2.982 0.669) 9.446 17.835 ( 5.095 -0.108 -0.786) 5.156 17.948 ( 2.747 0.235 -0.192) 2.763 18.034 ( -15.362 0.998 -0.101) 15.395 18.162 ( -16.224 -2.007 0.125) 16.348 22.905 ( 3.624 -2.138 0.396) 4.226 23.139 ( -4.487 -7.968 0.691) 9.170 28.093 ( -0.132 -0.867 3.563) 3.670 28.322 ( 6.157 0.205 10.077) 11.810 28.442 ( 0.009 -2.834 -1.414) 3.167 29.967 ( -11.602 -1.358 -10.065) 15.419 30.179 ( 7.643 -2.251 9.133) 12.120 30.848 ( -2.323 -0.705 10.649) 10.922 31.202 ( 2.707 -2.582 -5.795) 6.898 31.406 ( -2.177 -0.362 -5.326) 5.766 31.994 ( -3.975 16.190 5.710) 17.622 32.739 ( 15.051 10.570 -23.933) 30.183 34.328 ( 0.757 -6.502 6.467) 9.202 34.807 ( -12.736 -9.786 6.741) 17.419 45.601 ( -1.222 4.014 3.957) 5.768 45.977 ( 1.740 6.093 -4.483) 7.762 88.746 ( -3.004 -0.083 -1.432) 3.329 88.873 ( -17.501 -3.668 0.734) 17.896 89.678 ( 3.325 6.056 5.742) 8.983 90.597 ( -6.401 5.153 -9.534) 12.587 ======================= Grid point 235 (112/196) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -2.378 10.419 19.135) 21.917 2.010 ( -7.967 23.062 17.029) 29.754 2.717 ( 15.102 27.391 1.178) 31.300 2.944 ( -9.617 14.093 -5.951) 18.069 3.213 ( -8.832 15.550 9.276) 20.146 3.290 ( 8.572 4.665 1.473) 9.870 3.803 ( 1.704 8.505 -4.029) 9.564 3.998 ( 0.696 3.568 4.575) 5.843 4.224 ( 0.915 -3.484 2.687) 4.494 4.526 ( 6.303 -1.259 -11.346) 13.040 4.786 ( 8.203 13.137 10.643) 18.792 5.341 ( -4.008 -3.793 3.277) 6.418 6.000 ( -6.894 -0.080 -0.681) 6.928 6.353 ( -2.774 -1.267 -2.447) 3.910 6.860 ( 1.463 3.674 -13.072) 13.657 6.935 ( 0.823 -3.627 -4.300) 5.685 7.692 ( -2.369 -1.584 0.634) 2.919 7.850 ( -0.093 1.408 0.673) 1.563 8.479 ( -0.132 4.866 0.276) 4.876 8.840 ( -2.261 0.778 -6.326) 6.763 9.234 ( 16.009 5.341 7.698) 18.549 9.824 ( -11.815 1.620 -8.987) 14.932 10.462 ( 7.465 -1.666 1.405) 7.777 10.548 ( -7.131 -3.847 0.468) 8.116 11.773 ( -0.912 -2.998 0.305) 3.148 11.873 ( 0.416 -4.384 -1.675) 4.711 15.090 ( -1.401 4.975 4.964) 7.166 15.464 ( 3.485 2.109 -4.721) 6.236 17.359 ( -5.944 -2.908 3.278) 7.384 17.431 ( 1.998 -3.557 -0.005) 4.079 17.827 ( -9.348 1.033 0.427) 9.414 17.910 ( -1.886 1.704 0.449) 2.581 17.968 ( 2.928 0.568 -1.135) 3.191 18.047 ( 7.256 0.874 -1.038) 7.382 23.003 ( 3.586 -2.896 2.386) 5.191 23.140 ( -7.567 -6.143 -0.386) 9.754 28.172 ( 2.563 -2.419 4.023) 5.348 28.396 ( -0.902 -0.403 -1.703) 1.969 28.705 ( 23.472 -6.234 15.534) 28.829 29.674 ( -15.851 -0.435 -12.725) 20.331 30.418 ( 8.483 -2.991 9.168) 12.844 30.890 ( -4.037 -0.790 10.741) 11.502 31.124 ( -7.359 2.070 -9.145) 11.920 31.389 ( 2.780 -1.502 -3.906) 5.025 31.774 ( -3.999 12.468 4.531) 13.855 32.650 ( 18.396 14.196 -25.200) 34.278 34.452 ( -7.883 -8.521 10.326) 15.537 34.823 ( -6.600 -10.360 4.919) 13.232 45.553 ( -1.782 4.657 4.352) 6.618 45.887 ( 1.057 5.638 -4.807) 7.484 88.694 ( -7.910 -0.791 1.107) 8.026 88.757 ( 4.362 -0.226 -0.759) 4.433 89.677 ( 1.284 7.461 7.455) 10.625 90.352 ( -3.098 8.115 -12.772) 15.445 ======================= Grid point 236 (113/196) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 1.328 16.263 13.792) 21.365 1.827 ( 7.075 13.794 18.835) 24.394 2.607 ( -1.988 19.158 4.233) 19.721 2.659 ( 14.749 20.238 5.035) 25.543 3.007 ( -1.384 11.870 6.844) 13.772 3.298 ( 2.582 5.774 -4.507) 7.766 3.749 ( 8.826 3.657 -4.547) 10.581 4.019 ( 3.243 6.546 5.637) 9.227 4.332 ( 2.798 -5.739 -4.316) 7.706 4.551 ( 6.710 -0.099 -8.934) 11.174 4.805 ( 2.851 10.691 11.900) 16.249 5.325 ( 0.295 -0.192 -11.065) 11.071 5.901 ( -4.512 0.444 6.249) 7.720 6.313 ( -1.080 0.652 -2.482) 2.784 6.687 ( -2.530 5.282 -6.043) 8.415 7.028 ( -0.180 -9.505 -0.123) 9.507 7.638 ( -9.248 0.711 -0.151) 9.277 7.844 ( 0.960 -0.683 0.849) 1.452 8.417 ( -1.361 3.353 1.640) 3.973 8.846 ( 8.591 -1.297 -6.184) 10.665 9.533 ( 14.280 2.489 4.175) 15.085 9.609 ( 4.028 2.546 -7.962) 9.279 10.431 ( -9.638 -2.438 -0.079) 9.941 10.645 ( 7.475 -2.589 1.057) 7.981 11.805 ( -1.373 -3.449 1.267) 3.922 11.916 ( -0.275 -3.944 -1.778) 4.335 15.006 ( -6.754 3.626 5.092) 9.203 15.407 ( -2.374 1.689 -5.048) 5.828 17.312 ( -5.191 -3.117 2.019) 6.382 17.546 ( 4.243 -3.345 0.724) 5.452 17.728 ( -2.094 2.025 -0.529) 2.961 17.800 ( -3.806 2.031 1.690) 4.633 18.106 ( 11.985 -0.177 -1.223) 12.049 18.201 ( 16.850 3.800 -1.743) 17.361 23.064 ( -7.938 -3.852 -0.492) 8.837 23.127 ( 2.456 -2.852 4.079) 5.550 28.260 ( 1.551 -2.144 2.839) 3.881 28.364 ( -1.273 -0.191 -2.436) 2.755 29.339 ( -13.033 0.021 -15.161) 19.993 29.443 ( 36.704 -16.135 10.174) 41.365 30.606 ( 2.009 -1.776 7.443) 7.912 30.834 ( -10.181 5.129 -1.478) 11.495 30.927 ( -4.916 -1.280 4.598) 6.852 31.403 ( 0.185 -0.780 -5.870) 5.924 31.677 ( 1.487 3.821 4.292) 5.936 32.558 ( 21.413 17.312 -25.558) 37.570 34.425 ( -21.506 -9.951 12.576) 26.827 34.947 ( 1.490 -5.959 6.359) 8.841 45.500 ( -1.631 4.275 4.352) 6.315 45.806 ( 1.507 4.331 -4.117) 6.163 88.704 ( 8.919 -1.462 -1.173) 9.114 88.909 ( 13.990 -1.282 1.216) 14.102 89.634 ( -0.848 7.975 7.517) 10.992 90.138 ( 2.177 9.709 -11.581) 15.268 ======================= Grid point 240 (114/196) ======================= q-point: ( 0.30 0.30 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 8.643 0.000 1.263) 8.734 2.492 ( 4.085 0.000 -15.598) 16.124 2.945 ( 1.218 0.000 11.432) 11.497 3.329 ( -1.575 -0.000 8.721) 8.862 3.591 ( 12.745 0.000 -13.805) 18.789 3.830 ( 9.607 0.000 -2.280) 9.874 4.038 ( 7.199 0.000 -3.250) 7.898 4.095 ( 0.823 0.000 -2.026) 2.186 4.325 ( 4.841 0.000 -2.448) 5.425 4.662 ( -3.501 -0.000 3.228) 4.762 5.302 ( 20.791 0.000 -4.547) 21.282 5.418 ( 9.982 0.000 -6.935) 12.155 5.914 ( -17.730 -0.000 14.549) 22.935 6.576 ( -0.249 -0.000 -4.113) 4.121 6.908 ( 2.549 0.000 12.329) 12.589 7.180 ( -21.291 -0.000 4.238) 21.709 7.806 ( 1.133 0.000 2.634) 2.868 8.000 ( -3.721 -0.000 -3.041) 4.806 8.439 ( 19.614 0.000 -7.723) 21.080 8.493 ( -9.607 -0.000 -0.543) 9.622 9.952 ( 8.477 0.000 2.015) 8.713 9.976 ( 7.592 0.000 -9.182) 11.915 10.048 ( -3.910 -0.000 0.702) 3.973 10.744 ( -3.013 -0.000 4.328) 5.274 11.726 ( -1.837 -0.000 1.677) 2.488 11.775 ( -2.862 -0.000 -1.845) 3.405 14.821 ( 4.737 0.000 2.058) 5.165 15.296 ( 3.182 0.000 -1.034) 3.346 17.355 ( -0.055 -0.000 -4.165) 4.165 17.452 ( -3.576 -0.000 4.018) 5.379 17.861 ( 2.039 0.000 -0.545) 2.111 17.869 ( -2.018 -0.000 1.251) 2.374 18.579 ( -9.899 -0.000 -1.007) 9.950 18.765 ( -7.183 -0.000 1.724) 7.387 22.721 ( 1.668 0.000 -1.286) 2.106 23.010 ( -8.800 -0.000 2.297) 9.095 28.232 ( -1.236 -0.000 -0.734) 1.437 28.307 ( -1.807 -0.000 0.322) 1.836 28.571 ( -17.959 -0.000 -5.457) 18.769 29.350 ( 15.566 0.000 3.446) 15.943 30.575 ( -9.612 -0.000 1.531) 9.734 30.786 ( -5.982 -0.000 10.820) 12.364 30.956 ( 1.385 0.000 -4.868) 5.062 31.539 ( 3.114 0.000 -6.648) 7.341 32.695 ( 16.254 0.000 -12.789) 20.682 32.737 ( 6.024 0.000 -5.284) 8.013 34.031 ( -2.418 -0.000 7.402) 7.787 34.887 ( -12.662 -0.000 9.724) 15.965 45.594 ( 2.652 0.000 2.192) 3.441 46.072 ( 6.967 0.000 -1.314) 7.090 89.167 ( -10.063 -0.000 -5.120) 11.291 89.245 ( -5.155 -0.000 6.128) 8.008 89.814 ( -0.461 -0.000 -8.399) 8.412 90.906 ( 1.503 0.000 13.751) 13.833 ======================= Grid point 241 (115/196) ======================= q-point: ( 0.40 0.30 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 8.055 9.990 -4.246) 13.517 2.560 ( 10.643 -5.084 -4.895) 12.770 3.001 ( -3.306 -0.808 9.114) 9.728 3.295 ( -2.310 8.002 7.003) 10.882 3.638 ( 4.692 -1.247 -8.954) 10.186 3.860 ( 9.143 12.846 -6.541) 17.070 4.030 ( 1.977 2.123 0.979) 3.062 4.203 ( 4.577 -5.789 -2.297) 7.729 4.477 ( 2.411 -8.620 1.658) 9.103 4.591 ( -7.995 1.391 2.225) 8.415 5.377 ( 16.183 15.915 -8.494) 24.235 5.593 ( -6.852 -0.005 10.308) 12.377 5.802 ( 1.744 -8.824 -2.668) 9.382 6.372 ( -18.159 -3.498 -6.025) 19.449 6.882 ( -17.642 3.356 6.409) 19.068 7.200 ( 11.312 -5.560 13.229) 18.272 7.756 ( -2.460 8.717 -4.075) 9.932 7.916 ( -3.829 -3.730 -1.027) 5.443 8.441 ( 0.477 -0.747 0.000) 0.886 8.663 ( 16.402 -1.233 -6.705) 17.763 9.786 ( -8.979 4.806 -4.363) 11.079 10.071 ( 8.334 -2.211 -6.843) 11.007 10.258 ( 11.279 -0.962 7.804) 13.749 10.648 ( -12.079 0.473 1.599) 12.194 11.718 ( -0.780 -0.100 0.764) 1.096 11.725 ( -1.914 -0.154 -1.487) 2.429 14.940 ( 9.156 0.751 2.696) 9.574 15.342 ( 6.256 1.548 -2.276) 6.835 17.296 ( 0.405 4.193 -1.805) 4.583 17.462 ( -4.218 -5.135 2.202) 7.001 17.826 ( -0.821 2.266 0.685) 2.505 17.902 ( 0.307 -1.739 0.087) 1.768 18.388 ( -16.395 -2.524 -0.307) 16.591 18.620 ( -12.978 0.083 0.296) 12.981 22.757 ( 3.320 -0.749 -1.201) 3.609 22.925 ( -5.167 -1.608 1.155) 5.533 28.192 ( -1.165 2.009 -2.019) 3.077 28.302 ( -2.018 -2.688 -0.285) 3.374 28.327 ( -11.993 -0.688 1.615) 12.121 29.604 ( 13.315 -0.500 5.661) 14.477 30.423 ( -10.929 -0.536 -2.358) 11.193 30.781 ( -4.195 1.310 11.466) 12.279 30.980 ( 3.607 -2.457 -4.068) 5.966 31.518 ( 0.673 -0.028 -6.527) 6.562 32.676 ( 5.205 10.834 -1.790) 12.152 32.865 ( 11.511 -2.684 -14.600) 18.785 34.063 ( -1.391 -1.383 6.348) 6.644 34.778 ( -12.334 -2.288 7.727) 14.733 45.648 ( 2.570 0.481 2.342) 3.510 46.146 ( 5.633 1.529 -2.224) 6.246 88.984 ( -9.630 -0.051 -3.956) 10.411 89.174 ( -11.575 -0.897 5.953) 13.047 89.756 ( 1.251 1.352 -4.561) 4.919 90.952 ( -4.148 1.314 7.274) 8.476 ======================= Grid point 242 (116/196) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 7.538 13.757 1.909) 15.803 2.728 ( 9.748 1.855 -3.855) 10.646 3.048 ( -2.600 -4.091 9.846) 10.974 3.209 ( -0.274 7.087 4.800) 8.564 3.625 ( -2.975 -1.526 -3.633) 4.937 3.749 ( 7.758 16.581 -2.873) 18.530 4.066 ( 6.533 3.708 -2.210) 7.831 4.304 ( 1.325 -2.921 1.012) 3.364 4.361 ( -19.080 4.368 5.787) 20.411 4.558 ( -5.165 -5.346 0.374) 7.443 5.298 ( 12.211 16.759 -9.816) 22.941 5.513 ( -6.114 2.122 4.494) 7.879 5.943 ( -3.408 -4.211 0.561) 5.446 6.211 ( -3.884 -14.329 -9.872) 17.829 6.675 ( -9.197 6.554 9.143) 14.531 7.482 ( 1.126 -3.286 7.388) 8.164 7.565 ( 1.720 5.648 -4.356) 7.337 7.920 ( 0.583 0.151 -1.220) 1.361 8.487 ( 4.901 -0.248 -0.556) 4.939 8.862 ( 14.339 -0.765 -5.724) 15.459 9.530 ( -13.383 5.369 -1.720) 14.522 10.184 ( 10.098 0.500 -3.445) 10.681 10.415 ( -16.608 -0.113 -0.944) 16.635 10.446 ( 3.833 -1.176 4.922) 6.348 11.699 ( -0.807 -0.941 -1.229) 1.746 11.720 ( -0.716 -1.237 -0.145) 1.437 15.096 ( 10.702 2.470 3.327) 11.476 15.414 ( 9.243 2.455 -3.066) 10.043 17.254 ( 1.138 2.812 -0.212) 3.041 17.466 ( -5.507 -4.291 1.352) 7.111 17.801 ( 0.568 1.240 -0.232) 1.384 17.916 ( -0.294 -0.807 -0.216) 0.885 18.179 ( -16.968 -4.670 0.837) 17.619 18.391 ( -16.198 0.694 -0.664) 16.226 22.806 ( 2.787 -0.761 -1.159) 3.113 22.921 ( -1.769 -4.384 0.769) 4.790 28.117 ( -3.170 1.038 -1.602) 3.700 28.247 ( -2.740 0.331 7.180) 7.692 28.330 ( -1.054 -3.605 0.056) 3.756 29.841 ( 11.062 -1.342 5.581) 12.463 30.228 ( -12.457 -0.808 -5.023) 13.456 30.801 ( -2.621 0.910 11.525) 11.854 31.051 ( 4.740 -3.232 -4.398) 7.229 31.467 ( -1.415 -0.270 -6.324) 6.486 32.571 ( 0.912 12.853 1.875) 13.021 32.927 ( 12.313 1.706 -17.798) 21.709 34.116 ( -0.988 -2.513 6.126) 6.694 34.691 ( -11.598 -3.889 6.439) 13.824 45.687 ( 1.792 1.711 2.916) 3.826 46.164 ( 3.548 3.319 -3.407) 5.934 88.833 ( -7.048 -0.190 -2.807) 7.588 89.013 ( -15.385 -1.159 3.290) 15.775 89.762 ( 4.374 2.724 1.280) 5.309 90.871 ( -6.535 2.636 0.579) 7.070 ======================= Grid point 243 (117/196) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 3.496 16.657 9.182) 19.339 2.708 ( -1.143 8.925 0.874) 9.040 3.095 ( 2.098 5.812 4.278) 7.515 3.249 ( 3.070 -0.688 6.844) 7.533 3.542 ( -1.635 6.949 2.707) 7.635 3.686 ( 2.922 1.855 1.654) 3.836 3.955 ( 0.230 17.677 -4.702) 18.293 4.197 ( -0.302 -0.481 0.659) 0.870 4.306 ( -8.567 -2.817 0.479) 9.031 4.523 ( -2.156 0.932 0.410) 2.384 5.212 ( 12.611 16.376 -6.633) 21.707 5.341 ( -13.548 3.086 4.778) 14.693 5.964 ( -2.980 -7.706 0.439) 8.274 6.324 ( 0.626 -10.646 -10.422) 14.911 6.584 ( -0.409 4.511 7.237) 8.538 7.343 ( -1.341 7.078 -8.584) 11.207 7.673 ( -1.100 -3.427 5.384) 6.476 7.901 ( 1.052 2.582 -0.899) 2.930 8.573 ( 6.740 1.467 -0.088) 6.898 8.987 ( 6.482 2.087 -8.311) 10.745 9.285 ( -5.769 5.217 3.974) 8.735 10.123 ( -17.104 0.291 -3.988) 17.565 10.313 ( 9.668 0.508 -1.286) 9.766 10.512 ( -1.884 -1.177 3.111) 3.823 11.699 ( -0.644 -1.632 -0.862) 1.955 11.733 ( -0.129 -2.654 -0.910) 2.808 15.216 ( 6.828 4.378 3.791) 8.953 15.496 ( 8.609 2.743 -3.446) 9.670 17.261 ( 2.229 0.318 1.230) 2.566 17.417 ( -7.708 -2.272 0.967) 8.094 17.818 ( 3.409 -0.751 -1.424) 3.770 17.932 ( 1.289 -1.463 0.428) 1.997 18.018 ( -11.903 -2.334 0.229) 12.132 18.139 ( -14.435 0.431 -0.271) 14.444 22.852 ( 2.321 -1.780 -0.167) 2.930 22.969 ( -1.541 -5.466 0.020) 5.679 28.082 ( -0.377 0.201 2.068) 2.111 28.324 ( 4.007 -1.133 10.260) 11.073 28.357 ( -0.432 -2.427 0.075) 2.466 29.936 ( -8.736 -1.051 -10.412) 13.632 30.117 ( 4.304 -2.295 8.204) 9.545 30.841 ( -2.634 0.223 11.487) 11.787 31.125 ( 4.241 -3.243 -6.573) 8.468 31.397 ( -2.216 -0.333 -5.378) 5.826 32.399 ( -2.961 14.738 3.063) 15.341 32.939 ( 13.977 4.966 -20.253) 25.104 34.194 ( -0.285 -3.787 7.138) 8.085 34.625 ( -10.824 -5.056 5.680) 13.228 45.698 ( 0.554 3.262 3.702) 4.965 46.119 ( 1.445 4.704 -4.499) 6.667 88.746 ( -2.324 0.008 -1.711) 2.886 88.823 ( -13.101 -0.765 1.537) 13.213 89.818 ( 5.390 4.582 5.619) 9.035 90.712 ( -6.593 3.776 -5.325) 9.278 ======================= Grid point 244 (118/196) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -0.060 16.171 12.188) 20.250 2.535 ( -2.109 16.392 9.445) 19.036 3.074 ( 4.139 6.191 -4.726) 8.820 3.286 ( -2.931 5.846 9.247) 11.326 3.458 ( 2.861 9.138 1.348) 9.670 3.683 ( 5.197 19.413 -3.237) 20.356 3.883 ( 10.515 -4.052 5.393) 12.493 4.091 ( -16.009 4.160 -1.716) 16.629 4.215 ( 3.377 2.562 -1.558) 4.516 4.510 ( 2.226 2.247 -0.155) 3.166 5.148 ( 6.486 9.498 0.427) 11.509 5.242 ( -2.457 1.254 6.320) 6.896 5.961 ( -7.371 -3.283 -2.901) 8.575 6.338 ( -1.070 -2.744 -1.830) 3.467 6.633 ( 2.090 -5.350 -4.281) 7.164 7.173 ( 0.396 8.281 -10.296) 13.219 7.662 ( -5.639 -0.718 2.807) 6.340 7.891 ( 0.675 2.119 1.191) 2.523 8.601 ( 0.656 4.061 0.117) 4.115 8.871 ( -4.066 1.759 -6.442) 7.818 9.372 ( 16.423 5.147 6.214) 18.298 9.854 ( -11.259 0.831 -8.138) 13.917 10.452 ( 9.459 0.625 1.099) 9.543 10.474 ( -6.952 -1.895 0.754) 7.245 11.706 ( -0.888 -2.158 -0.405) 2.368 11.770 ( 0.544 -3.516 -1.287) 3.783 15.226 ( -1.269 5.308 4.075) 6.811 15.527 ( 3.087 2.644 -3.843) 5.594 17.295 ( -5.870 -2.171 2.889) 6.893 17.365 ( 2.284 -1.428 0.223) 2.703 17.847 ( -8.989 0.091 -0.609) 9.010 17.905 ( 4.573 -1.054 -0.445) 4.714 17.985 ( -4.513 0.122 -0.263) 4.522 18.035 ( 8.731 -1.344 0.189) 8.836 22.920 ( 1.482 -3.364 1.278) 3.892 23.000 ( -2.705 -4.824 -0.770) 5.585 28.125 ( 1.962 -1.192 3.586) 4.258 28.359 ( -1.525 -2.660 -2.814) 4.162 28.587 ( 14.368 -2.827 17.171) 22.567 29.665 ( -13.483 -0.240 -13.917) 19.379 30.327 ( 7.047 -3.697 9.450) 12.355 30.876 ( -4.039 -0.250 10.867) 11.596 31.127 ( -1.292 -1.438 -9.786) 9.975 31.357 ( 1.136 -0.947 -3.879) 4.152 32.151 ( -6.552 15.826 3.181) 17.421 32.929 ( 16.654 7.669 -22.450) 28.986 34.286 ( -4.887 -4.453 9.649) 11.697 34.605 ( -5.099 -6.828 4.671) 9.718 45.675 ( -0.747 4.613 4.393) 6.414 46.029 ( 0.037 5.211 -5.112) 7.301 88.684 ( -5.986 -0.039 0.938) 6.059 88.755 ( 4.681 0.025 -0.850) 4.758 89.871 ( 4.284 7.225 8.259) 11.780 90.514 ( -4.340 4.853 -9.780) 11.749 ======================= Grid point 245 (119/196) ======================= q-point: (-0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 4.088 12.286 11.781) 17.505 2.406 ( 5.742 21.258 10.121) 24.235 2.892 ( -8.097 9.780 -5.883) 13.994 3.243 ( 8.457 11.027 3.514) 14.334 3.376 ( -2.449 12.213 6.309) 13.963 3.484 ( 1.972 18.050 -2.232) 18.294 3.847 ( -1.120 2.959 -2.535) 4.054 4.172 ( 9.372 -5.412 5.586) 12.179 4.198 ( 2.801 4.605 -2.150) 5.803 4.506 ( -0.278 -0.210 -0.658) 0.745 5.184 ( 6.153 15.408 6.226) 17.721 5.241 ( 2.845 -4.243 -2.082) 5.516 5.850 ( -8.230 -3.671 1.096) 9.078 6.352 ( 2.402 1.981 1.616) 3.507 6.699 ( 0.174 -9.161 -7.315) 11.724 6.985 ( 0.416 9.377 -10.023) 13.732 7.614 ( -5.438 -1.301 2.296) 6.044 7.868 ( -1.800 2.035 3.357) 4.318 8.514 ( -3.977 3.761 -0.154) 5.475 8.815 ( 2.526 -1.169 -5.085) 5.797 9.620 ( 6.051 4.060 0.288) 7.292 9.694 ( 13.434 4.009 -2.967) 14.330 10.363 ( -10.395 -2.662 -0.838) 10.763 10.600 ( 8.000 -0.793 0.703) 8.070 11.723 ( -1.045 -2.783 0.320) 2.990 11.814 ( 0.330 -3.715 -1.389) 3.980 15.117 ( -7.677 4.849 4.177) 9.995 15.460 ( -3.370 2.309 -4.263) 5.904 17.242 ( -5.021 -2.353 1.322) 5.701 17.469 ( 4.744 -2.589 1.531) 5.617 17.753 ( -1.878 0.539 0.097) 1.956 17.860 ( -4.366 1.848 0.511) 4.769 18.095 ( 12.545 -0.685 -0.691) 12.582 18.234 ( 15.418 -1.030 -0.781) 15.472 22.958 ( -4.853 -4.251 -0.257) 6.456 23.040 ( 1.612 -3.802 1.748) 4.484 28.206 ( 2.111 -1.948 3.562) 4.576 28.340 ( -1.475 -1.693 -3.236) 3.939 29.092 ( 23.694 -9.913 17.982) 31.353 29.364 ( -10.705 0.639 -15.561) 18.898 30.533 ( 4.027 -3.649 9.171) 10.660 30.883 ( -6.031 -0.692 9.859) 11.578 30.975 ( -6.940 3.228 -10.285) 12.820 31.374 ( 1.918 -1.347 -5.121) 5.632 31.887 ( -5.931 12.377 3.806) 14.243 32.909 ( 18.690 10.075 -24.363) 32.317 34.260 ( -14.129 -3.193 11.004) 18.191 34.746 ( 3.765 -8.815 5.648) 11.125 45.626 ( -1.622 5.252 4.685) 7.222 45.925 ( -0.117 4.699 -4.887) 6.781 88.674 ( 4.183 -0.818 -0.214) 4.268 88.885 ( 12.277 -0.574 0.374) 12.296 89.863 ( 0.479 9.551 8.219) 12.609 90.342 ( 1.574 6.084 -10.556) 12.285 ======================= Grid point 246 (120/196) ======================= q-point: (-0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 4.758 11.278 7.445) 14.327 2.279 ( 7.290 18.253 7.942) 21.200 2.645 ( -4.855 8.453 -0.713) 9.774 3.171 ( -3.021 11.587 6.111) 13.443 3.259 ( -2.642 4.060 -7.396) 8.841 3.355 ( 19.096 16.999 1.765) 25.627 3.894 ( 7.795 0.971 -1.091) 7.930 4.147 ( -1.723 -1.189 -3.137) 3.771 4.328 ( 6.213 6.647 3.574) 9.776 4.545 ( -0.046 -5.453 3.293) 6.370 4.984 ( -7.786 9.085 -2.109) 12.149 5.357 ( 13.549 7.357 -6.169) 16.605 5.902 ( 0.380 -5.229 12.875) 13.901 6.407 ( 9.748 4.607 -1.637) 10.905 6.684 ( 0.519 4.355 -7.164) 8.400 6.922 ( 3.142 -7.565 -4.177) 9.195 7.524 ( -9.075 2.114 2.877) 9.753 7.873 ( 0.715 0.121 4.767) 4.822 8.417 ( -4.235 1.837 1.331) 4.804 8.875 ( 5.351 -4.249 -6.803) 9.642 9.528 ( 2.416 4.897 -7.043) 8.912 9.968 ( 16.393 3.865 3.450) 17.193 10.252 ( -7.206 -4.014 0.030) 8.249 10.699 ( 2.288 -1.593 -0.475) 2.828 11.748 ( -1.627 -3.200 0.987) 3.723 11.850 ( -0.371 -3.493 -1.358) 3.766 14.965 ( -8.500 3.543 3.839) 9.977 15.332 ( -5.329 1.300 -4.205) 6.912 17.233 ( -1.801 -3.161 0.027) 3.638 17.572 ( 3.077 -2.356 1.590) 4.189 17.757 ( 2.288 2.248 -1.431) 3.512 17.800 ( -0.439 0.668 2.484) 2.609 18.300 ( 14.609 0.313 -0.412) 14.619 18.478 ( 16.552 0.646 -1.023) 16.596 22.913 ( -5.408 -2.725 -1.718) 6.294 23.138 ( 0.541 -4.446 4.596) 6.417 28.268 ( -0.230 -1.790 0.770) 1.962 28.329 ( 0.384 -0.986 -0.411) 1.135 29.080 ( -6.306 1.399 -16.878) 18.071 29.774 ( 23.765 -13.960 9.817) 29.258 30.590 ( -4.318 1.289 -2.783) 5.296 30.796 ( -1.988 1.322 3.448) 4.194 30.862 ( -7.425 -1.805 8.301) 11.283 31.340 ( -2.258 0.273 -5.509) 5.960 31.768 ( 0.058 3.774 4.074) 5.554 32.866 ( 18.677 11.700 -25.635) 33.806 34.155 ( -14.531 -2.206 11.755) 18.820 34.959 ( 2.758 -7.076 7.816) 10.898 45.569 ( -1.655 4.849 4.431) 6.774 45.847 ( 1.179 3.308 -3.779) 5.159 88.832 ( 13.557 -4.108 -2.631) 14.408 89.124 ( 15.043 -2.168 2.181) 15.355 89.770 ( -2.392 8.415 3.826) 9.548 90.265 ( 8.657 8.883 -5.647) 13.628 ======================= Grid point 251 (121/196) ======================= q-point: ( 0.40 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 10.949 0.000 1.614) 11.067 2.628 ( 13.348 0.000 -2.273) 13.540 2.974 ( -7.282 -0.000 9.074) 11.635 3.349 ( -5.876 -0.000 9.817) 11.442 3.551 ( -0.525 -0.000 -9.761) 9.775 4.090 ( 9.177 0.000 -3.215) 9.724 4.117 ( 1.372 0.000 -1.701) 2.185 4.204 ( 10.071 0.000 -4.566) 11.058 4.375 ( -13.246 -0.000 7.650) 15.296 4.488 ( -8.527 -0.000 0.398) 8.536 5.518 ( -6.796 -0.000 5.407) 8.684 5.628 ( 8.061 0.000 -9.210) 12.239 5.839 ( 12.388 0.000 -1.843) 12.524 5.981 ( -18.377 -0.000 -7.866) 19.989 6.775 ( -8.747 -0.000 9.386) 12.830 7.400 ( 4.804 0.000 12.435) 13.331 7.667 ( -6.360 -0.000 -6.610) 9.173 7.917 ( 4.787 0.000 -2.571) 5.433 8.484 ( 5.941 0.000 -0.430) 5.957 8.853 ( 16.250 0.000 -5.918) 17.294 9.608 ( -14.311 -0.000 -1.631) 14.403 10.178 ( 11.177 0.000 -4.862) 12.189 10.422 ( -18.028 -0.000 -0.003) 18.028 10.432 ( 5.546 0.000 5.763) 7.998 11.687 ( -1.270 -0.000 -1.330) 1.838 11.705 ( -1.290 -0.000 0.075) 1.292 15.130 ( 11.637 0.000 3.332) 12.104 15.448 ( 8.962 0.000 -3.007) 9.452 17.333 ( 1.791 0.000 -2.441) 3.028 17.367 ( -5.557 -0.000 3.277) 6.451 17.829 ( -0.379 -0.000 -0.078) 0.387 17.902 ( 0.381 0.000 0.071) 0.388 18.106 ( -17.350 -0.000 0.199) 17.351 18.401 ( -15.886 -0.000 -0.419) 15.892 22.799 ( 3.660 0.000 -1.115) 3.827 22.860 ( -2.795 -0.000 0.425) 2.827 28.142 ( -3.768 -0.000 -1.253) 3.971 28.252 ( -1.889 -0.000 0.046) 1.889 28.270 ( -1.395 -0.000 7.236) 7.369 29.822 ( 10.333 0.000 6.070) 11.984 30.217 ( -11.860 -0.000 -5.895) 13.244 30.819 ( -4.067 -0.000 13.262) 13.872 31.002 ( 6.085 0.000 -6.057) 8.585 31.463 ( -1.530 -0.000 -6.224) 6.409 32.770 ( 0.331 0.000 -1.915) 1.944 32.923 ( 12.290 0.000 -13.951) 18.592 34.084 ( -0.891 -0.000 6.460) 6.522 34.639 ( -11.095 -0.000 6.222) 12.720 45.710 ( 2.527 0.000 2.756) 3.739 46.207 ( 3.717 0.000 -3.353) 5.006 88.831 ( -6.836 -0.000 -3.061) 7.490 89.001 ( -14.733 -0.000 3.827) 15.222 89.797 ( 4.842 0.000 0.751) 4.900 90.908 ( -7.074 -0.000 2.036) 7.362 ======================= Grid point 252 (122/196) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 9.142 14.776 4.791) 18.024 2.860 ( 2.335 2.537 5.414) 6.419 3.008 ( 2.603 -10.543 7.902) 13.430 3.276 ( -6.311 4.221 7.011) 10.335 3.541 ( 2.702 -3.172 -5.063) 6.557 3.955 ( -8.309 11.301 4.119) 14.619 4.119 ( -6.492 -2.674 -0.383) 7.032 4.246 ( -3.188 2.816 0.403) 4.273 4.350 ( 7.592 5.227 -5.877) 10.931 4.432 ( 4.615 -6.127 -2.232) 7.989 5.452 ( -2.737 6.985 -3.417) 8.243 5.568 ( -5.434 6.935 -3.683) 9.549 5.729 ( -3.455 -8.362 1.306) 9.141 6.087 ( 10.472 -5.891 -9.109) 15.077 6.729 ( -4.554 4.037 11.223) 12.767 7.412 ( -8.572 -0.449 -0.602) 8.605 7.628 ( 2.680 -0.099 2.381) 3.587 7.954 ( 3.873 1.269 -3.489) 5.365 8.594 ( 8.217 0.336 -0.115) 8.224 9.028 ( 10.815 0.862 -8.152) 13.571 9.391 ( -8.779 2.481 3.574) 9.798 10.109 ( -16.702 -0.643 -4.689) 17.359 10.342 ( 9.722 0.956 -0.082) 9.769 10.498 ( -1.367 -0.119 3.384) 3.651 11.672 ( -0.204 -0.510 -0.878) 1.036 11.688 ( -1.217 -0.893 -0.543) 1.604 15.298 ( 7.824 1.763 3.438) 8.726 15.551 ( 8.172 1.252 -3.220) 8.872 17.290 ( -2.514 1.567 1.888) 3.513 17.363 ( -1.702 -1.848 -0.277) 2.528 17.820 ( -0.917 1.165 -1.039) 1.810 17.876 ( -3.693 -2.749 0.364) 4.618 17.960 ( -2.794 -1.389 0.136) 3.123 18.157 ( -14.929 0.519 -0.679) 14.953 22.826 ( 0.798 -0.011 -0.341) 0.867 22.862 ( 0.375 -2.781 -0.501) 2.851 28.105 ( -0.451 1.251 1.518) 2.018 28.245 ( -1.265 -2.793 0.148) 3.070 28.351 ( 3.554 0.198 10.751) 11.325 29.916 ( -6.748 -0.448 -9.455) 11.625 30.075 ( 2.248 -0.877 6.598) 7.025 30.854 ( -3.623 0.519 12.592) 13.113 31.055 ( 5.740 -1.743 -8.027) 10.020 31.390 ( -2.273 -0.154 -5.223) 5.698 32.700 ( -1.355 7.577 -0.650) 7.725 32.995 ( 11.153 -0.119 -15.049) 18.732 34.133 ( -0.087 -1.117 7.145) 7.232 34.537 ( -9.655 -1.772 5.050) 11.039 45.757 ( 1.597 1.249 3.534) 4.075 46.204 ( 1.288 1.766 -4.517) 5.018 88.746 ( -1.743 0.012 -1.932) 2.602 88.816 ( -12.090 -0.016 1.874) 12.234 89.900 ( 6.877 1.671 5.380) 8.890 90.781 ( -7.729 1.480 -3.085) 8.453 ======================= Grid point 253 (123/196) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 1.367 17.029 7.756) 18.761 2.825 ( -1.613 7.274 8.860) 11.576 3.166 ( -2.220 1.871 0.945) 3.053 3.306 ( 4.879 -5.345 9.344) 11.819 3.634 ( 8.201 -0.632 2.332) 8.550 3.773 ( -1.512 7.193 1.288) 7.463 3.985 ( -12.546 -3.367 -3.355) 13.416 4.167 ( 0.634 7.160 -3.425) 7.963 4.335 ( 2.852 3.340 -1.029) 4.511 4.603 ( 16.291 3.732 -6.024) 17.765 5.203 ( -15.477 3.201 6.543) 17.105 5.478 ( 8.684 7.985 -7.036) 13.736 5.822 ( -2.971 -6.810 1.109) 7.512 6.178 ( 2.985 -5.705 -11.243) 12.956 6.699 ( -1.585 5.947 10.562) 12.224 7.275 ( -6.384 0.400 -3.803) 7.442 7.659 ( -1.616 0.324 1.962) 2.562 7.954 ( 2.201 2.358 -2.118) 3.859 8.672 ( 1.631 1.559 0.971) 2.456 8.924 ( -8.414 1.957 -7.155) 11.217 9.481 ( 16.796 3.132 5.092) 17.828 9.870 ( -8.276 0.476 -7.053) 10.884 10.448 ( -7.516 -0.282 1.164) 7.611 10.477 ( 8.987 0.999 1.066) 9.105 11.667 ( -0.753 -0.876 -0.607) 1.305 11.700 ( 0.872 -1.913 -0.859) 2.271 15.342 ( -1.263 3.425 3.448) 5.022 15.589 ( 2.387 2.006 -3.309) 4.546 17.250 ( -5.904 -1.277 2.701) 6.617 17.357 ( 1.816 0.541 -0.136) 1.900 17.805 ( -1.785 -2.601 0.219) 3.162 17.904 ( 2.315 0.550 -2.151) 3.208 17.970 ( -3.288 -0.796 0.134) 3.386 17.999 ( 3.482 -1.310 0.200) 3.726 22.844 ( -0.499 -2.285 0.412) 2.375 22.899 ( 0.183 -2.938 -0.981) 3.103 28.116 ( 1.420 0.531 2.506) 2.929 28.270 ( -1.078 -3.815 -1.635) 4.288 28.551 ( 10.147 -0.446 16.700) 19.546 29.660 ( -12.151 -0.152 -14.353) 18.807 30.246 ( 6.436 -2.386 9.168) 11.453 30.878 ( -4.241 0.388 11.151) 11.937 31.075 ( 2.063 -2.114 -10.765) 11.163 31.340 ( -0.037 -0.436 -3.624) 3.650 32.528 ( -4.395 12.593 0.345) 13.343 33.042 ( 12.105 1.294 -16.938) 20.859 34.211 ( -0.370 -1.703 8.596) 8.771 34.474 ( -7.024 -3.407 4.243) 8.885 45.773 ( 0.071 2.833 4.393) 5.228 46.139 ( -0.788 3.129 -5.337) 6.236 88.687 ( -5.730 0.173 0.791) 5.787 88.757 ( 4.815 0.116 -0.825) 4.887 90.025 ( 7.551 4.451 8.556) 12.249 90.606 ( -6.656 2.392 -7.378) 10.221 ======================= Grid point 254 (124/196) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 2.551 15.967 7.010) 17.624 2.786 ( 3.563 8.852 5.103) 10.821 3.099 ( -3.586 4.953 0.796) 6.166 3.418 ( 2.146 4.540 5.432) 7.398 3.607 ( -0.754 10.090 -3.308) 10.646 3.829 ( -9.397 -4.067 -0.413) 10.247 3.901 ( 4.851 -3.657 6.451) 8.861 4.030 ( 2.667 8.488 -3.012) 9.393 4.321 ( 2.514 3.153 -3.066) 5.066 4.637 ( 1.764 9.236 1.598) 9.538 5.165 ( 8.467 -0.883 0.255) 8.517 5.498 ( 9.973 7.501 -0.447) 12.488 5.763 ( -10.832 -2.193 -0.215) 11.054 6.234 ( 3.815 -9.405 -9.971) 14.227 6.676 ( -0.301 6.710 8.679) 10.974 7.157 ( -2.836 2.809 -5.209) 6.562 7.608 ( -4.567 1.013 1.137) 4.814 7.928 ( -1.150 2.249 0.855) 2.667 8.596 ( -6.887 2.702 -0.080) 7.399 8.784 ( -2.932 -1.290 -4.598) 5.604 9.730 ( 5.828 4.238 -3.626) 8.067 9.795 ( 18.546 3.410 0.795) 18.874 10.311 ( -11.874 -1.244 -0.641) 11.956 10.596 ( 6.700 0.221 0.908) 6.765 11.668 ( -0.679 -1.505 -0.382) 1.694 11.737 ( 1.280 -2.158 -0.879) 2.658 15.238 ( -8.486 4.246 3.546) 10.129 15.518 ( -4.597 2.096 -3.594) 6.200 17.193 ( -5.165 -1.453 1.436) 5.554 17.417 ( 3.865 -1.495 1.462) 4.394 17.773 ( -0.933 1.074 -0.890) 1.678 17.881 ( -2.681 -0.056 0.518) 2.732 18.072 ( 13.008 -0.971 -0.060) 13.044 18.172 ( 13.018 -3.295 -0.698) 13.446 22.859 ( -2.942 -3.269 -0.247) 4.405 22.942 ( 0.903 -3.605 0.268) 3.726 28.167 ( 2.022 -0.972 2.983) 3.732 28.279 ( -1.021 -2.878 -2.798) 4.142 28.917 ( 16.713 -4.153 19.874) 26.298 29.377 ( -10.080 0.345 -15.819) 18.761 30.439 ( 5.055 -3.316 9.046) 10.880 30.875 ( -5.672 0.185 8.803) 10.473 31.007 ( -2.327 -0.382 -10.855) 11.108 31.342 ( 2.120 -1.005 -4.223) 4.831 32.261 ( -7.349 15.489 1.361) 17.198 33.074 ( 13.242 2.887 -19.063) 23.390 34.236 ( -6.620 0.701 8.861) 11.083 34.532 ( 1.530 -7.458 5.362) 9.312 45.751 ( -1.540 4.221 4.987) 6.712 46.034 ( -1.735 3.592 -5.472) 6.771 88.661 ( 2.030 -0.236 0.008) 2.044 88.877 ( 11.381 -0.089 0.244) 11.384 90.101 ( 3.321 8.636 8.365) 12.473 90.449 ( -0.502 2.314 -8.232) 8.566 ======================= Grid point 255 (125/196) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 6.577 12.181 4.095) 14.436 2.771 ( 5.441 7.617 -0.927) 9.406 2.857 ( -10.439 16.791 1.024) 19.798 3.359 ( -4.636 4.737 -7.836) 10.263 3.427 ( -3.384 6.488 0.989) 7.384 3.747 ( -0.626 10.459 9.175) 13.927 3.886 ( 4.284 1.183 -1.520) 4.697 4.101 ( -1.425 -2.248 -5.434) 6.051 4.351 ( 2.832 -4.479 5.473) 7.618 4.563 ( -0.220 6.392 5.874) 8.684 5.176 ( -3.881 6.916 -9.740) 12.560 5.574 ( 14.157 7.674 1.063) 16.138 5.773 ( 5.922 -4.205 7.723) 10.601 6.387 ( 8.176 -9.718 -6.867) 14.438 6.666 ( 2.578 4.847 7.397) 9.212 7.016 ( -0.688 7.479 -8.744) 11.527 7.542 ( -5.783 -0.255 3.225) 6.626 7.888 ( -2.758 0.970 4.312) 5.210 8.466 ( -5.016 1.813 -0.708) 5.381 8.773 ( 0.766 -3.781 -5.093) 6.389 9.682 ( 6.168 6.704 -7.273) 11.657 10.073 ( 7.265 3.581 3.814) 8.952 10.159 ( -1.184 -2.467 0.645) 2.811 10.672 ( 2.367 -0.691 -0.645) 2.548 11.679 ( -0.934 -2.075 0.192) 2.283 11.775 ( 0.775 -2.182 -0.830) 2.460 15.067 ( -9.499 4.169 3.254) 10.872 15.370 ( -7.446 1.529 -3.838) 8.515 17.166 ( -2.329 -2.082 0.085) 3.125 17.513 ( 3.401 -2.426 2.288) 4.763 17.779 ( 3.428 0.738 0.308) 3.520 17.842 ( -1.344 1.573 -0.155) 2.075 18.304 ( 15.526 -0.098 0.915) 15.554 18.432 ( 15.574 -3.753 -1.353) 16.077 22.840 ( -3.602 -2.765 -1.302) 4.724 23.019 ( 0.694 -4.703 2.204) 5.240 28.221 ( -0.006 -1.742 0.325) 1.772 28.290 ( 0.952 -1.938 -0.365) 2.190 29.110 ( -5.492 0.951 -15.312) 16.294 29.458 ( 21.065 -9.668 17.512) 29.050 30.587 ( 0.723 -1.919 5.577) 5.942 30.813 ( -5.454 0.336 -4.617) 7.154 30.887 ( -5.712 2.205 3.668) 7.137 31.339 ( 0.233 -0.344 -5.396) 5.412 31.980 ( -6.285 12.700 3.320) 14.554 33.073 ( 12.222 4.504 -21.109) 24.804 34.167 ( -6.982 2.433 8.423) 11.208 34.740 ( 4.095 -9.198 7.267) 12.417 45.697 ( -2.611 4.879 4.972) 7.439 45.929 ( -1.133 2.966 -4.685) 5.660 88.756 ( 8.927 -1.966 -0.760) 9.173 89.089 ( 14.884 -0.692 1.144) 14.944 89.994 ( -4.840 8.684 0.026) 9.942 90.450 ( 9.886 5.657 -0.399) 11.397 ======================= Grid point 256 (126/196) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 3.052 12.227 -0.380) 12.607 2.527 ( -5.414 8.753 1.123) 10.353 2.701 ( -0.405 8.934 -0.970) 8.995 3.111 ( -8.038 5.017 -11.047) 14.554 3.310 ( -0.436 7.787 1.996) 8.051 3.757 ( 8.897 6.512 0.787) 11.053 3.975 ( 4.519 -1.465 -0.896) 4.834 4.021 ( -3.240 -4.095 -3.123) 6.085 4.465 ( -4.080 -3.791 6.030) 8.208 4.570 ( 3.314 4.461 8.094) 9.818 4.923 ( -4.455 5.613 -9.550) 11.940 5.634 ( 3.724 8.598 6.548) 11.432 6.007 ( 10.029 0.356 3.149) 10.518 6.595 ( 12.625 -1.270 -4.522) 13.471 6.788 ( 8.315 1.683 6.434) 10.647 6.874 ( 6.626 -0.264 -9.621) 11.685 7.465 ( -6.351 2.662 4.690) 8.332 7.925 ( 1.764 -1.942 6.363) 6.883 8.394 ( -2.000 2.140 0.732) 3.019 8.793 ( -1.472 -5.220 -6.058) 8.131 9.644 ( 6.918 6.944 -5.470) 11.225 9.936 ( -12.348 -3.451 -2.211) 13.010 10.374 ( 12.913 2.484 6.682) 14.750 10.661 ( -3.574 -0.610 -2.542) 4.428 11.694 ( -1.365 -2.394 0.805) 2.871 11.801 ( -0.133 -2.069 -0.887) 2.255 14.916 ( -6.693 3.386 2.377) 7.868 15.232 ( -5.187 0.166 -3.382) 6.194 17.171 ( -0.830 -2.744 -1.133) 3.083 17.606 ( 3.065 -1.754 2.203) 4.162 17.799 ( 0.015 2.570 -0.909) 2.726 17.846 ( 3.672 -0.386 1.905) 4.155 18.531 ( 14.342 1.042 0.724) 14.398 18.675 ( 11.802 -2.329 -0.783) 12.055 22.810 ( -2.588 -1.771 -1.842) 3.637 23.103 ( -0.923 -4.752 3.830) 6.173 28.219 ( -1.165 -1.722 -2.462) 3.222 28.345 ( 1.544 -1.272 2.612) 3.290 28.944 ( 1.360 1.480 -14.933) 15.068 29.949 ( 7.750 -3.789 4.482) 9.721 30.535 ( 2.553 -2.378 -3.882) 5.219 30.757 ( -4.966 -3.149 3.207) 6.698 30.850 ( -3.699 1.539 10.985) 11.693 31.274 ( -2.655 1.377 -4.369) 5.295 31.840 ( -1.377 4.599 4.042) 6.276 33.011 ( 9.687 5.341 -22.309) 24.901 34.110 ( -3.567 3.536 8.113) 9.542 34.955 ( 1.532 -7.532 8.463) 11.433 45.631 ( -2.569 4.429 4.370) 6.731 45.867 ( 0.771 1.499 -3.269) 3.678 88.951 ( 11.983 -4.548 -2.115) 12.990 89.324 ( 11.812 -0.822 2.750) 12.156 89.806 ( -4.579 5.652 -3.372) 8.018 90.539 ( 12.649 9.104 3.091) 15.888 ======================= Grid point 262 (127/196) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -10.052 0.000 12.823) 16.293 2.949 ( 8.198 -0.000 0.879) 8.245 3.100 ( 10.739 -0.000 12.527) 16.500 3.221 ( -9.391 -0.000 7.952) 12.306 3.588 ( 11.486 -0.000 -8.495) 14.286 3.923 ( -12.061 -0.000 -6.049) 13.493 3.927 ( -4.841 -0.000 5.497) 7.325 4.261 ( 0.941 -0.000 -1.492) 1.764 4.340 ( -3.258 -0.000 2.802) 4.297 4.667 ( 27.758 -0.000 -13.355) 30.803 5.275 ( -18.806 0.000 3.250) 19.084 5.576 ( 6.802 -0.000 -10.266) 12.316 5.710 ( -0.701 -0.000 5.063) 5.111 6.111 ( 3.812 -0.000 -8.612) 9.418 6.792 ( -1.689 -0.000 11.822) 11.942 7.264 ( -9.084 -0.000 -0.203) 9.087 7.665 ( 0.140 -0.000 1.197) 1.205 7.987 ( 2.579 -0.000 -3.802) 4.595 8.690 ( 2.180 -0.000 1.289) 2.532 8.951 ( -10.384 -0.000 -7.514) 12.817 9.523 ( 16.803 -0.000 4.724) 17.455 9.877 ( -6.672 -0.000 -6.581) 9.372 10.447 ( -7.678 -0.000 1.356) 7.796 10.491 ( 8.396 -0.000 1.100) 8.468 11.658 ( -1.016 -0.000 -0.708) 1.238 11.674 ( 1.399 -0.000 -0.561) 1.507 15.387 ( -1.283 -0.000 3.233) 3.478 15.617 ( 2.032 -0.000 -3.165) 3.762 17.233 ( -6.133 -0.000 2.633) 6.675 17.370 ( 1.661 -0.000 -0.530) 1.744 17.764 ( -0.507 -0.000 0.884) 1.019 17.911 ( 7.516 -0.000 -2.954) 8.076 17.968 ( -8.914 -0.000 -0.088) 8.915 17.972 ( 3.151 -0.000 0.506) 3.191 22.814 ( -1.265 -0.000 0.074) 1.267 22.859 ( 1.157 -0.000 -1.007) 1.534 28.138 ( 1.425 -0.000 1.702) 2.220 28.203 ( -1.100 -0.000 -0.592) 1.249 28.547 ( 8.987 -0.000 16.285) 18.601 29.658 ( -11.762 -0.000 -14.399) 18.593 30.215 ( 6.252 -0.000 9.009) 10.966 30.886 ( -4.660 -0.000 11.955) 12.831 31.043 ( 3.432 -0.000 -11.889) 12.374 31.334 ( -0.373 -0.000 -3.507) 3.527 32.716 ( -2.044 -0.000 -1.817) 2.735 33.036 ( 8.866 -0.000 -13.428) 16.091 34.190 ( 1.147 -0.000 8.196) 8.276 34.431 ( -7.579 -0.000 3.863) 8.507 45.811 ( 0.378 -0.000 4.387) 4.403 46.180 ( -1.100 -0.000 -5.422) 5.533 88.690 ( -5.763 -0.000 0.732) 5.809 88.759 ( 4.856 -0.000 -0.799) 4.921 90.084 ( 9.137 -0.000 8.606) 12.552 90.637 ( -7.941 -0.000 -6.494) 10.259 ======================= Grid point 264 (128/196) ======================= q-point: (-0.40 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -2.872 8.468 8.659) 12.447 2.977 ( -0.208 8.243 5.614) 9.976 3.137 ( -1.971 -1.165 2.221) 3.190 3.402 ( 5.945 -4.705 10.818) 13.210 3.647 ( -10.637 -6.572 -6.956) 14.309 3.775 ( 7.117 -0.035 -7.661) 10.456 3.917 ( 5.149 8.129 4.463) 10.607 4.224 ( -1.032 3.571 -2.409) 4.429 4.325 ( -2.346 -2.225 0.400) 3.258 4.861 ( 0.774 5.908 -4.866) 7.693 5.180 ( 16.417 1.096 -0.639) 16.466 5.555 ( -1.616 -0.779 -2.712) 3.252 5.754 ( 0.835 0.271 1.811) 2.012 6.061 ( -1.579 -3.127 -9.872) 10.475 6.852 ( 1.810 4.909 11.873) 12.975 7.160 ( -6.203 -1.170 1.660) 6.527 7.640 ( -3.028 0.849 -1.034) 3.311 7.967 ( -1.614 0.741 -2.390) 2.978 8.652 ( -7.344 1.509 1.425) 7.632 8.751 ( -7.757 -1.066 -5.533) 9.588 9.816 ( 7.275 2.103 -6.527) 9.997 9.853 ( 21.019 1.016 3.077) 21.268 10.296 ( -12.824 -0.131 -0.045) 12.825 10.602 ( 5.163 0.141 1.290) 5.323 11.645 ( -0.466 -0.406 -0.685) 0.923 11.703 ( 2.233 -0.602 -0.505) 2.367 15.317 ( -8.899 1.705 3.426) 9.687 15.558 ( -5.603 0.854 -3.415) 6.617 17.168 ( -5.088 -0.478 1.995) 5.486 17.393 ( 1.852 -0.393 0.460) 1.948 17.805 ( 3.103 1.125 -0.782) 3.392 17.867 ( -2.494 -0.746 0.446) 2.642 18.057 ( 12.671 0.062 -0.822) 12.698 18.092 ( 10.934 -2.437 -0.131) 11.203 22.800 ( -1.742 -1.189 -0.194) 2.118 22.872 ( 0.226 -1.579 -0.473) 1.663 28.163 ( 1.480 0.759 1.467) 2.218 28.207 ( -0.092 -2.444 -1.102) 2.683 28.856 ( 13.664 -0.992 19.854) 24.121 29.382 ( -9.837 0.069 -15.792) 18.606 30.378 ( 5.518 -1.295 8.779) 10.450 30.888 ( -5.678 0.554 10.141) 11.635 30.983 ( 0.331 -0.948 -12.998) 13.037 31.325 ( 1.830 -0.342 -3.630) 4.080 32.601 ( -3.865 9.144 -1.832) 10.095 33.073 ( 7.605 -1.978 -13.607) 15.713 34.269 ( -0.110 1.494 8.583) 8.713 34.384 ( -3.061 -3.722 4.009) 6.268 45.828 ( -1.453 1.607 5.172) 5.607 46.098 ( -2.755 1.343 -5.823) 6.580 88.659 ( 1.225 -0.014 0.047) 1.226 88.877 ( 11.008 0.027 0.311) 11.012 90.279 ( 9.114 4.527 9.720) 14.073 90.466 ( -5.540 -0.511 -8.163) 9.879 ======================= Grid point 265 (129/196) ======================= q-point: (-0.30 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 3.171 12.493 1.754) 13.008 2.868 ( -6.024 3.996 1.520) 7.387 3.167 ( 1.629 3.014 3.272) 4.737 3.439 ( -12.102 -2.091 -10.236) 15.987 3.512 ( -2.221 1.744 3.008) 4.126 3.810 ( 3.136 3.082 0.604) 4.438 4.011 ( 7.382 0.261 3.852) 8.330 4.104 ( -3.871 6.820 -1.969) 8.085 4.320 ( -0.896 -0.745 -1.475) 1.880 4.679 ( -8.828 3.473 5.011) 10.729 5.344 ( -1.418 5.550 -9.619) 11.196 5.612 ( 6.728 -3.525 4.240) 8.699 5.786 ( 15.182 4.051 -0.012) 15.713 6.114 ( 7.624 -9.066 -5.835) 13.204 6.876 ( 1.525 8.982 11.895) 14.984 7.130 ( 0.618 1.006 -1.144) 1.644 7.548 ( -6.056 1.091 0.030) 6.154 7.898 ( -5.333 -0.460 0.210) 5.357 8.510 ( -6.527 1.792 -0.847) 6.821 8.680 ( -2.173 -3.453 -4.349) 5.963 9.842 ( 8.949 5.221 -7.392) 12.728 10.079 ( -15.335 -1.383 -1.281) 15.450 10.189 ( 19.789 2.699 5.888) 20.822 10.657 ( 1.079 -0.545 -0.143) 1.217 11.643 ( -0.340 -0.777 -0.244) 0.882 11.741 ( 2.162 -0.593 -0.576) 2.315 15.163 ( -10.073 3.028 3.557) 11.103 15.402 ( -9.125 0.879 -3.810) 9.928 17.128 ( -2.799 -0.868 0.909) 3.068 17.452 ( 2.780 -2.073 1.645) 3.839 17.813 ( 2.536 1.739 0.564) 3.126 17.869 ( 0.890 0.586 -0.958) 1.433 18.296 ( 16.447 -0.542 1.944) 16.570 18.320 ( 14.350 -4.168 -2.083) 15.088 22.783 ( -2.171 -1.472 -0.866) 2.763 22.910 ( 0.585 -3.465 0.789) 3.601 28.184 ( 0.128 -1.031 -0.586) 1.193 28.240 ( 1.669 -1.670 0.372) 2.390 29.131 ( -4.447 0.828 -13.290) 14.039 29.281 ( 15.926 -4.506 18.175) 24.582 30.530 ( 3.560 -1.922 7.267) 8.317 30.836 ( -4.393 1.380 -2.452) 5.216 30.908 ( -3.188 -0.508 -1.794) 3.693 31.328 ( 1.563 -0.408 -4.850) 5.112 32.355 ( -6.462 14.760 -0.253) 16.115 33.102 ( 6.419 -1.963 -15.170) 16.589 34.247 ( -2.877 3.344 5.333) 6.920 34.522 ( 3.267 -7.339 8.149) 11.443 45.802 ( -3.263 3.056 5.517) 7.101 45.991 ( -3.028 1.708 -5.451) 6.465 88.724 ( 6.885 -0.638 -0.264) 6.920 89.081 ( 14.928 -0.091 1.148) 14.973 90.188 ( -6.926 5.918 -6.293) 11.072 90.556 ( 12.517 2.673 7.235) 14.703 ======================= Grid point 266 (130/196) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 0.320 8.641 -4.559) 9.776 2.709 ( -9.532 4.855 -0.760) 10.724 3.012 ( -7.268 12.820 -4.599) 15.438 3.240 ( -4.624 3.556 -4.632) 7.448 3.454 ( -3.344 1.589 1.825) 4.128 3.875 ( 3.472 -1.216 5.105) 6.292 3.910 ( -4.641 6.603 -4.233) 9.114 4.042 ( -1.017 1.831 -4.932) 5.358 4.343 ( -1.389 -2.941 7.573) 8.242 4.644 ( -0.799 -0.169 6.058) 6.113 5.043 ( -13.855 4.125 -9.698) 17.407 5.723 ( 0.277 -2.060 5.758) 6.122 6.048 ( 16.111 0.622 -1.142) 16.163 6.424 ( 21.832 -4.866 -0.334) 22.370 6.871 ( 0.433 5.705 11.000) 12.399 7.073 ( 5.587 9.432 -9.562) 14.547 7.477 ( -5.457 -1.411 4.902) 7.470 7.866 ( -2.008 -2.561 4.028) 5.179 8.431 ( -0.703 0.590 -1.418) 1.689 8.676 ( -1.362 -3.954 -4.900) 6.442 9.790 ( -5.812 2.268 -5.626) 8.401 9.897 ( -2.971 2.360 -1.245) 3.993 10.447 ( 12.247 2.864 5.801) 13.850 10.645 ( -2.203 -0.841 -2.007) 3.097 11.651 ( -0.185 -0.979 0.458) 1.097 11.771 ( 1.603 -0.335 -0.664) 1.767 15.011 ( -7.184 3.831 2.708) 8.580 15.239 ( -7.293 0.223 -3.465) 8.077 17.118 ( -0.919 -1.397 -0.334) 1.705 17.546 ( 3.354 -2.810 2.310) 4.948 17.842 ( 0.061 0.639 2.026) 2.125 17.863 ( 3.785 2.052 -1.815) 4.673 18.545 ( 13.905 -0.621 1.577) 14.008 18.576 ( 13.108 -4.101 -1.391) 13.805 22.767 ( -1.188 -1.416 -1.425) 2.334 22.985 ( 1.037 -4.278 2.190) 4.917 28.183 ( -0.397 -1.057 -2.297) 2.559 28.302 ( 2.050 -1.864 1.915) 3.368 28.977 ( 0.818 1.046 -14.215) 14.277 29.761 ( 17.170 -7.637 17.065) 25.383 30.585 ( -2.209 2.263 -3.793) 4.939 30.708 ( -3.403 -0.043 -5.328) 6.323 30.881 ( -3.905 0.487 8.845) 9.681 31.301 ( -0.247 0.638 -4.900) 4.947 32.076 ( -6.272 13.311 2.704) 14.961 33.076 ( 3.819 -0.306 -17.047) 17.472 34.212 ( -0.139 3.810 4.336) 5.774 34.745 ( 3.750 -8.135 9.525) 13.075 45.739 ( -4.269 3.759 5.007) 7.578 45.899 ( -1.846 0.943 -4.116) 4.609 88.867 ( 9.805 -2.073 -0.398) 10.030 89.319 ( 14.618 0.182 1.672) 14.715 89.949 ( -7.984 5.100 -7.297) 11.958 90.753 ( 14.253 7.428 7.696) 17.820 ======================= Grid point 267 (131/196) ======================= q-point: (-0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -11.571 -1.585 -9.627) 15.135 2.435 ( -7.298 11.515 -2.405) 13.844 2.773 ( -1.617 8.039 -4.985) 9.596 3.066 ( -5.522 8.827 0.846) 10.446 3.374 ( -3.401 3.704 1.636) 5.288 3.801 ( 0.348 -1.658 -9.109) 9.265 3.956 ( -0.171 1.583 -5.224) 5.462 4.003 ( 3.251 -4.511 4.789) 7.338 4.429 ( -0.670 -3.104 8.201) 8.794 4.644 ( -4.224 2.270 1.688) 5.084 4.815 ( -6.880 -3.387 -3.181) 8.303 5.756 ( -3.602 1.280 7.902) 8.778 6.174 ( 6.182 4.784 -1.376) 7.937 6.711 ( 6.648 -3.038 -6.336) 9.673 6.859 ( 3.478 5.909 2.689) 7.364 7.096 ( 12.561 0.930 3.550) 13.087 7.466 ( -1.937 0.334 3.800) 4.278 7.980 ( 5.470 -4.063 6.052) 9.113 8.442 ( 5.051 2.794 -0.954) 5.850 8.637 ( -5.594 -3.227 -4.204) 7.705 9.619 ( -9.516 -3.167 -4.851) 11.141 9.872 ( 5.404 5.248 0.183) 7.535 10.491 ( -7.110 -1.263 -1.520) 7.379 10.657 ( 6.397 3.336 2.683) 7.697 11.668 ( 0.041 -0.851 1.000) 1.313 11.787 ( 0.978 0.033 -0.871) 1.310 14.896 ( -3.690 3.702 1.404) 5.412 15.142 ( -3.138 -0.754 -2.448) 4.051 17.125 ( -0.119 -1.724 -1.365) 2.202 17.646 ( 3.224 -2.153 2.216) 4.465 17.815 ( -1.126 1.852 -0.207) 2.178 17.907 ( 2.825 0.309 0.908) 2.984 18.739 ( 8.828 -1.125 0.718) 8.928 18.762 ( 7.032 -1.575 -0.058) 7.207 22.765 ( 0.514 -0.894 -1.787) 2.063 23.070 ( 0.585 -3.146 3.417) 4.681 28.172 ( -0.270 -0.826 -2.353) 2.508 28.366 ( 1.282 -1.583 2.116) 2.938 28.933 ( 7.648 1.009 -11.571) 13.907 29.978 ( -6.015 8.796 -7.489) 13.024 30.558 ( 10.225 -9.291 3.270) 14.198 30.668 ( -6.094 -1.819 4.499) 7.791 30.900 ( -1.705 0.803 8.794) 8.994 31.241 ( -0.930 2.118 -3.079) 3.851 31.905 ( -3.246 6.090 4.104) 8.029 32.983 ( 2.360 0.632 -18.709) 18.868 34.205 ( 1.890 4.369 3.610) 5.974 34.953 ( 1.397 -5.930 9.908) 11.631 45.664 ( -3.908 3.262 4.211) 6.606 45.859 ( 0.252 -0.574 -2.715) 2.786 89.046 ( 9.216 -3.469 -0.815) 9.881 89.486 ( 5.366 2.705 0.899) 6.076 89.755 ( -3.229 1.633 -4.500) 5.774 90.883 ( 11.389 10.605 5.874) 16.633 ======================= Grid point 274 (132/196) ======================= q-point: (-0.40 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -2.647 -0.000 8.391) 8.798 3.048 ( -3.834 -0.000 0.476) 3.863 3.088 ( -5.569 -0.000 1.701) 5.823 3.361 ( -6.851 -0.000 -13.454) 15.098 3.512 ( 2.507 0.000 8.044) 8.425 3.853 ( 7.850 0.000 -5.265) 9.452 4.140 ( 9.682 0.000 3.945) 10.455 4.188 ( -4.143 -0.000 -1.086) 4.283 4.236 ( -4.891 -0.000 -2.694) 5.584 4.739 ( -13.932 -0.000 1.072) 13.973 5.432 ( -11.342 -0.000 3.959) 12.013 5.540 ( 18.077 0.000 -8.779) 20.096 5.856 ( 8.705 0.000 0.604) 8.726 5.980 ( 11.427 0.000 -4.600) 12.318 7.044 ( 6.578 0.000 11.929) 13.623 7.093 ( -4.327 -0.000 4.591) 6.309 7.574 ( -4.518 -0.000 -2.571) 5.198 7.883 ( -7.291 -0.000 -2.296) 7.643 8.549 ( -8.915 -0.000 1.182) 8.993 8.618 ( -1.907 -0.000 -5.928) 6.227 9.917 ( 10.718 0.000 -7.446) 13.050 10.058 ( -15.044 -0.000 -1.613) 15.130 10.227 ( 18.570 0.000 6.103) 19.547 10.648 ( 0.063 0.000 0.229) 0.238 11.634 ( -0.095 -0.000 -0.327) 0.341 11.735 ( 2.846 0.000 -0.553) 2.900 15.205 ( -10.187 -0.000 4.089) 10.977 15.413 ( -9.821 -0.000 -4.096) 10.641 17.118 ( -3.035 -0.000 1.505) 3.388 17.423 ( 2.355 0.000 0.899) 2.521 17.843 ( -0.135 -0.000 1.113) 1.121 17.875 ( 4.168 0.000 -1.266) 4.356 18.254 ( 15.061 0.000 -3.548) 15.474 18.291 ( 15.703 0.000 3.136) 16.013 22.766 ( -1.497 -0.000 -0.619) 1.620 22.862 ( 0.380 0.000 0.265) 0.463 28.171 ( -0.005 -0.000 -1.377) 1.377 28.217 ( 2.179 0.000 1.159) 2.468 29.148 ( -5.535 -0.000 -15.621) 16.572 29.219 ( 15.503 0.000 21.002) 26.104 30.504 ( 4.265 0.000 7.370) 8.516 30.876 ( 0.709 0.000 -15.820) 15.836 30.877 ( -6.729 -0.000 11.082) 12.965 31.322 ( 1.854 0.000 -4.559) 4.921 32.593 ( -3.719 -0.000 -3.445) 5.069 33.039 ( 2.891 0.000 -11.295) 11.659 34.313 ( -2.835 -0.000 1.715) 3.313 34.402 ( 3.585 0.000 11.101) 11.666 45.842 ( -3.468 -0.000 5.795) 6.754 46.013 ( -3.780 -0.000 -5.804) 6.927 88.717 ( 6.336 0.000 -0.160) 6.338 89.080 ( 14.957 0.000 1.245) 15.008 90.268 ( -8.287 -0.000 -10.569) 13.431 90.589 ( 14.508 0.000 12.016) 18.838 ======================= Grid point 275 (133/196) ======================= q-point: (-0.30 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -14.930 7.464 -3.116) 16.981 2.822 ( -3.841 3.717 2.433) 5.872 3.070 ( -7.630 -6.143 -4.182) 10.651 3.275 ( 2.016 -0.789 -5.909) 6.293 3.538 ( -1.534 4.402 0.505) 4.689 3.899 ( 2.782 2.261 -0.190) 3.590 4.061 ( -7.312 2.666 -1.616) 7.949 4.099 ( -1.465 3.318 -5.459) 6.554 4.320 ( 1.908 -0.191 6.098) 6.392 4.568 ( -10.093 -4.205 3.073) 11.357 5.207 ( -14.283 8.946 -2.382) 17.021 5.544 ( -7.094 -10.083 -3.960) 12.949 6.030 ( 11.675 -0.791 2.968) 12.072 6.392 ( 32.620 0.331 3.127) 32.771 7.040 ( -1.826 6.085 6.039) 8.766 7.232 ( 8.060 0.655 3.903) 8.979 7.464 ( -7.011 2.222 -0.444) 7.368 7.782 ( -4.503 -3.579 -0.687) 5.793 8.438 ( -3.949 0.217 -1.067) 4.096 8.595 ( 0.842 -2.042 -4.932) 5.404 9.793 ( -17.529 -0.266 -0.730) 17.546 9.991 ( 7.523 2.594 -6.264) 10.127 10.514 ( 12.702 2.140 5.593) 14.042 10.613 ( -3.473 -1.448 -1.346) 3.996 11.639 ( 0.661 -0.133 0.388) 0.777 11.774 ( 2.993 0.250 -0.773) 3.101 15.093 ( -7.070 2.087 4.431) 8.601 15.238 ( -8.550 -0.257 -4.392) 9.615 17.097 ( -1.198 -0.330 0.717) 1.435 17.483 ( 3.235 -1.560 1.412) 3.860 17.855 ( 0.376 0.302 1.411) 1.491 17.914 ( 3.530 1.386 -1.380) 4.036 18.458 ( 12.151 -2.759 -2.497) 12.709 18.553 ( 15.550 -0.114 2.546) 15.758 22.745 ( -0.604 -0.332 -1.253) 1.431 22.900 ( 2.293 -1.984 1.602) 3.429 28.166 ( 0.414 -0.287 -1.629) 1.706 28.263 ( 2.171 -0.936 1.081) 2.600 28.997 ( 0.510 0.424 -13.998) 14.014 29.624 ( 15.933 -2.773 19.812) 25.574 30.596 ( 1.034 -0.331 4.368) 4.501 30.750 ( -0.085 1.927 -16.914) 17.024 30.872 ( -5.063 -0.838 10.461) 11.652 31.309 ( 1.136 0.112 -4.929) 5.060 32.424 ( -5.858 10.746 -2.581) 12.508 33.006 ( -0.182 -4.008 -11.355) 12.043 34.286 ( -0.188 1.743 1.240) 2.147 34.580 ( 4.678 -3.987 12.232) 13.690 45.810 ( -5.255 1.565 5.866) 8.029 45.914 ( -3.472 0.220 -5.062) 6.143 88.836 ( 8.851 -0.528 0.076) 8.867 89.325 ( 15.752 0.165 1.639) 15.838 90.045 ( -9.182 2.045 -10.426) 14.042 90.896 ( 16.895 3.173 11.411) 20.633 ======================= Grid point 276 (134/196) ======================= q-point: (-0.20 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -17.731 3.300 -9.066) 20.186 2.667 ( -14.496 4.417 1.707) 15.249 2.946 ( -1.654 4.837 -6.743) 8.461 3.263 ( -1.997 4.031 -0.789) 4.568 3.410 ( -5.432 2.172 0.416) 5.865 3.855 ( -7.165 5.422 -5.107) 10.335 3.909 ( -1.646 -1.463 0.899) 2.379 4.034 ( 1.699 1.922 -4.349) 5.049 4.365 ( -0.646 -1.769 7.415) 7.650 4.594 ( -5.622 -8.481 4.973) 11.325 4.816 ( -14.791 8.815 -6.462) 18.391 5.588 ( -6.804 -13.431 -0.446) 15.063 6.230 ( 9.221 0.652 5.772) 10.898 6.798 ( 16.953 4.134 3.041) 17.713 6.937 ( -5.969 5.386 4.375) 9.153 7.254 ( 4.288 9.109 -3.301) 10.595 7.406 ( -2.402 -5.322 1.870) 6.131 7.863 ( 4.284 -4.980 5.054) 8.288 8.458 ( 9.397 -0.889 -3.444) 10.047 8.583 ( -2.200 -1.270 -3.399) 4.243 9.562 ( -13.143 -1.129 0.143) 13.193 9.996 ( 4.695 3.747 -4.175) 7.315 10.469 ( -8.935 -0.447 -2.955) 9.421 10.722 ( 7.565 1.652 4.327) 8.870 11.662 ( 1.630 0.189 0.970) 1.906 11.804 ( 2.931 1.000 -0.997) 3.253 14.998 ( -3.615 3.980 1.998) 5.736 15.125 ( -4.129 -0.798 -1.948) 4.635 17.097 ( -0.006 -0.573 -0.210) 0.610 17.574 ( 3.238 -2.953 1.595) 4.664 17.851 ( -1.212 0.883 0.518) 1.587 17.934 ( 2.919 1.584 -0.670) 3.388 18.631 ( 5.935 -4.369 -1.018) 7.439 18.773 ( 11.513 0.348 1.697) 11.643 22.743 ( 1.146 -0.678 -1.825) 2.260 22.999 ( 4.523 -2.215 3.159) 5.945 28.164 ( 0.723 0.096 -1.651) 1.805 28.320 ( 1.847 -1.741 1.234) 2.822 28.954 ( 7.232 0.596 -11.456) 13.561 30.024 ( 12.370 -3.176 12.425) 17.818 30.528 ( -1.437 4.485 -15.207) 15.920 30.635 ( -3.804 -0.846 1.294) 4.106 30.904 ( -2.438 -0.654 9.702) 10.025 31.282 ( 0.756 1.061 -3.873) 4.086 32.158 ( -7.317 12.351 0.984) 14.390 32.946 ( -2.335 -3.516 -13.527) 14.171 34.284 ( 1.878 1.784 0.581) 2.654 34.808 ( 5.222 -4.756 13.071) 14.857 45.738 ( -5.854 2.370 4.862) 7.970 45.842 ( -2.189 -0.710 -3.359) 4.072 88.985 ( 8.821 -1.392 0.471) 8.942 89.542 ( 11.755 1.479 0.598) 11.863 89.805 ( -8.950 1.912 -7.856) 12.061 91.147 ( 15.908 8.957 8.563) 20.165 ======================= Grid point 277 (135/196) ======================= q-point: (-0.10 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -18.616 -1.540 -8.752) 20.628 2.357 ( -14.928 4.219 -0.961) 15.542 2.828 ( 0.045 7.730 -4.090) 8.746 3.104 ( -6.120 7.419 1.757) 9.777 3.321 ( -8.590 -0.470 3.457) 9.272 3.707 ( -0.133 -0.798 -9.866) 9.899 3.906 ( -0.463 -3.096 -4.242) 5.272 4.052 ( 3.128 -0.191 1.797) 3.612 4.464 ( -0.494 -5.871 6.334) 8.650 4.509 ( -10.508 0.333 -5.342) 11.793 4.634 ( -7.809 -5.450 5.847) 11.175 5.638 ( -7.912 -10.580 0.547) 13.223 6.338 ( 3.660 6.232 7.451) 10.380 6.668 ( -5.108 6.681 -9.929) 13.012 6.983 ( -1.579 -1.490 7.749) 8.047 7.238 ( 2.027 1.367 2.379) 3.412 7.419 ( -3.130 -2.220 -0.570) 3.879 8.021 ( -1.807 -5.381 5.723) 8.061 8.514 ( -2.311 1.795 0.537) 2.975 8.672 ( 20.998 2.256 -5.358) 21.788 9.454 ( -3.552 -1.819 -0.855) 4.081 10.017 ( 6.491 1.990 0.085) 6.789 10.303 ( -10.176 -1.129 -4.870) 11.338 10.796 ( 2.988 2.742 2.496) 4.762 11.692 ( 2.077 0.752 1.219) 2.523 11.819 ( 2.626 1.855 -1.175) 3.423 14.922 ( -0.669 4.271 0.729) 4.384 15.091 ( -0.686 -0.639 -0.878) 1.284 17.106 ( 0.735 -0.628 -0.787) 1.246 17.670 ( 2.541 -3.194 1.463) 4.335 17.806 ( -2.646 1.367 -0.289) 2.992 17.948 ( 1.172 0.822 0.173) 1.441 18.715 ( -2.051 -4.474 -0.043) 4.922 18.900 ( 5.424 1.756 0.852) 5.764 22.766 ( 2.546 -0.642 -2.212) 3.433 23.120 ( 5.468 0.238 4.513) 7.094 28.162 ( 0.965 0.549 -1.241) 1.665 28.375 ( 1.114 -1.735 1.112) 2.342 29.018 ( 11.491 1.253 -8.905) 14.592 29.900 ( -11.181 14.625 -19.354) 26.711 30.595 ( -5.138 -1.594 5.911) 7.992 30.635 ( 8.974 -9.044 8.301) 15.206 30.945 ( -0.335 -0.401 6.503) 6.524 31.257 ( 1.949 2.055 -2.077) 3.512 31.947 ( -6.353 6.592 3.476) 9.793 32.839 ( -1.980 -3.013 -16.460) 16.850 34.294 ( 2.129 2.304 0.263) 3.148 35.018 ( 3.435 -1.718 12.651) 13.221 45.659 ( -5.231 1.877 4.257) 7.000 45.821 ( -0.128 -2.296 -2.482) 3.384 89.127 ( 6.230 -1.737 0.444) 6.483 89.499 ( -7.181 3.511 -5.683) 9.808 89.756 ( 4.151 0.282 1.018) 4.283 91.229 ( 8.403 14.724 3.653) 17.342 ======================= Grid point 285 (136/196) ======================= q-point: (-0.30 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -21.368 -0.000 -10.957) 24.013 2.682 ( -18.730 -0.000 9.102) 20.824 3.012 ( 4.798 0.000 -7.534) 8.933 3.246 ( -0.791 -0.000 -2.878) 2.985 3.537 ( -4.994 -0.000 -0.592) 5.029 3.890 ( -6.046 -0.000 -0.025) 6.046 3.942 ( -8.577 -0.000 -1.906) 8.786 4.053 ( 1.652 0.000 -7.926) 8.096 4.345 ( -12.168 -0.000 1.450) 12.254 4.436 ( 2.586 0.000 8.866) 9.236 5.162 ( -17.775 -0.000 -7.458) 19.276 5.185 ( -6.615 -0.000 1.198) 6.723 6.236 ( 11.296 0.000 6.001) 12.792 6.819 ( 10.398 0.000 14.007) 17.445 7.144 ( 9.288 0.000 -5.277) 10.682 7.233 ( -10.391 -0.000 2.527) 10.694 7.420 ( -2.137 -0.000 -2.691) 3.436 7.767 ( 5.993 0.000 3.333) 6.857 8.442 ( 9.652 0.000 -3.413) 10.238 8.565 ( -0.043 -0.000 -3.394) 3.395 9.550 ( -13.692 -0.000 1.741) 13.803 10.045 ( 3.418 0.000 -5.817) 6.747 10.465 ( -9.508 -0.000 -3.608) 10.169 10.743 ( 8.173 0.000 5.276) 9.728 11.666 ( 2.259 0.000 0.993) 2.468 11.820 ( 3.708 0.000 -1.140) 3.880 15.073 ( -3.172 -0.000 6.050) 6.831 15.096 ( -4.556 -0.000 -5.202) 6.915 17.091 ( -0.099 -0.000 0.477) 0.487 17.530 ( 3.105 0.000 0.951) 3.248 17.862 ( -0.965 -0.000 0.730) 1.210 17.960 ( 2.567 0.000 -1.211) 2.838 18.567 ( 6.335 0.000 -1.284) 6.464 18.777 ( 11.818 0.000 1.947) 11.977 22.735 ( 1.136 0.000 -1.956) 2.261 22.968 ( 6.189 0.000 3.285) 7.007 28.168 ( 1.215 0.000 -1.052) 1.607 28.294 ( 1.983 0.000 0.639) 2.083 28.962 ( 7.068 0.000 -11.442) 13.449 29.969 ( 14.192 0.000 16.628) 21.861 30.610 ( -2.908 -0.000 3.913) 4.875 30.621 ( 0.909 0.000 -24.527) 24.544 30.887 ( -3.712 -0.000 12.187) 12.740 31.295 ( 1.483 0.000 -4.139) 4.397 32.375 ( -7.254 -0.000 -4.945) 8.779 32.863 ( -4.982 -0.000 -8.178) 9.576 34.305 ( 1.381 0.000 -0.638) 1.521 34.741 ( 6.555 0.000 15.082) 16.445 45.773 ( -6.879 -0.000 6.115) 9.204 45.829 ( -2.833 -0.000 -4.591) 5.395 88.969 ( 8.682 0.000 0.784) 8.717 89.560 ( 13.479 0.000 0.777) 13.502 89.833 ( -10.465 -0.000 -9.448) 14.099 91.274 ( 19.257 0.000 9.927) 21.665 ======================= Grid point 286 (137/196) ======================= q-point: (-0.20 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -21.965 1.656 -8.201) 23.505 2.415 ( -24.950 0.131 7.570) 26.073 2.999 ( 4.403 5.261 -6.703) 9.591 3.212 ( -5.748 -2.339 0.979) 6.282 3.356 ( -11.432 6.178 1.055) 13.038 3.771 ( -6.575 3.692 -4.209) 8.636 3.816 ( -5.490 -3.677 -1.785) 6.845 4.025 ( -1.372 -3.379 -4.642) 5.903 4.254 ( -6.492 -4.774 0.704) 8.089 4.544 ( 2.229 -0.571 7.513) 7.857 4.707 ( -17.330 11.418 -3.204) 21.000 5.246 ( -8.064 -16.861 -2.444) 18.850 6.423 ( 7.712 1.251 6.415) 10.109 6.917 ( -9.516 1.149 10.271) 14.049 6.938 ( -9.988 7.820 -1.257) 12.747 7.290 ( -0.449 -6.588 0.009) 6.603 7.344 ( 0.277 3.812 -5.389) 6.607 7.890 ( -0.934 -3.829 4.863) 6.259 8.539 ( -0.749 0.357 0.345) 0.898 8.702 ( 26.887 0.367 -6.273) 27.612 9.438 ( -3.677 0.049 3.218) 4.887 10.039 ( 2.153 0.109 -3.504) 4.114 10.292 ( -8.250 0.054 -4.854) 9.572 10.847 ( 2.730 1.073 2.875) 4.107 11.713 ( 3.085 0.575 1.252) 3.379 11.862 ( 3.869 1.057 -1.372) 4.239 15.015 ( 0.488 2.170 -3.146) 3.852 15.088 ( -1.328 0.251 4.472) 4.672 17.099 ( 0.751 -0.058 0.381) 0.844 17.590 ( 2.417 -2.168 0.500) 3.285 17.832 ( -2.844 0.555 -0.049) 2.898 17.973 ( 1.147 0.773 -1.218) 1.844 18.618 ( -1.247 -2.376 0.065) 2.684 18.926 ( 6.882 0.422 0.861) 6.948 22.751 ( 2.879 -0.378 -2.438) 3.791 23.125 ( 9.982 0.088 5.279) 11.292 28.182 ( 1.828 0.720 -0.363) 1.998 28.332 ( 1.507 -1.198 0.391) 1.965 29.038 ( 12.947 0.376 -8.535) 15.511 30.175 ( 1.651 5.095 -14.358) 15.324 30.480 ( 6.082 -1.408 -3.473) 7.144 30.583 ( -5.463 -0.467 5.428) 7.715 30.926 ( -2.504 -0.927 8.731) 9.130 31.295 ( 2.559 0.787 -2.865) 3.921 32.156 ( -9.815 7.291 -2.853) 12.555 32.737 ( -7.226 -3.973 -9.263) 12.402 34.325 ( 2.622 0.464 -1.181) 2.913 34.979 ( 8.156 -1.025 16.186) 18.154 45.699 ( -7.191 1.095 5.277) 8.987 45.773 ( -1.647 -1.254 -3.326) 3.917 89.100 ( 7.134 -0.468 1.498) 7.304 89.560 ( -10.309 1.188 -8.779) 13.593 89.767 ( 7.790 0.355 1.238) 7.895 91.562 ( 17.171 8.536 4.111) 19.611 ======================= Grid point 287 (138/196) ======================= q-point: (-0.10 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -20.733 -0.494 0.121) 20.739 2.103 ( -21.848 -2.742 5.009) 22.582 2.903 ( -1.364 9.131 -3.293) 9.802 3.080 ( -8.550 4.599 0.683) 9.732 3.172 ( -12.932 -2.491 5.968) 14.459 3.649 ( 0.412 0.568 -6.082) 6.122 3.781 ( -5.377 -7.023 -5.460) 10.395 4.041 ( -3.465 -8.256 -1.510) 9.080 4.223 ( -5.512 -3.819 -0.512) 6.725 4.382 ( -15.663 -0.610 3.192) 15.997 4.617 ( 1.214 0.974 5.140) 5.370 5.319 ( -7.295 -15.993 -3.802) 17.985 6.493 ( -1.808 1.238 0.777) 2.325 6.603 ( -9.361 11.923 1.937) 15.283 6.867 ( -13.000 -4.612 7.749) 15.821 7.262 ( 3.079 3.976 -9.994) 11.188 7.372 ( 0.661 -5.122 4.050) 6.563 7.864 ( -12.944 -4.688 4.611) 14.519 8.555 ( 1.068 0.952 3.836) 4.094 8.985 ( 17.334 3.224 -8.480) 19.565 9.462 ( 4.022 1.054 2.298) 4.751 10.029 ( -4.735 -1.846 -7.605) 9.147 10.251 ( 10.954 1.315 2.566) 11.327 10.845 ( -1.453 1.797 -0.312) 2.332 11.756 ( 2.982 1.336 1.192) 3.479 11.885 ( 3.468 2.317 -1.442) 4.413 14.992 ( 2.227 4.214 -0.087) 4.767 15.091 ( 0.649 0.382 0.763) 1.072 17.122 ( 1.868 0.146 0.717) 2.006 17.663 ( 1.677 -3.701 0.292) 4.074 17.769 ( -3.739 0.937 -0.465) 3.883 17.962 ( -0.380 0.587 -0.734) 1.014 18.584 ( -8.647 -3.392 0.542) 9.304 18.970 ( 0.635 2.342 -0.808) 2.557 22.789 ( 3.761 -0.372 -2.415) 4.485 23.312 ( 11.171 3.792 6.592) 13.514 28.194 ( 1.936 1.630 0.001) 2.531 28.371 ( 0.658 -1.713 0.013) 1.835 29.166 ( 11.024 4.924 -9.017) 15.069 29.721 ( -11.525 11.021 -28.960) 33.061 30.538 ( -7.522 -0.361 7.501) 10.629 30.733 ( 7.506 -5.036 9.407) 13.046 30.971 ( 0.717 -2.581 5.139) 5.795 31.313 ( 4.228 1.174 -1.716) 4.712 31.911 ( -10.601 4.511 0.724) 11.543 32.614 ( -5.621 -5.679 -13.437) 15.633 34.347 ( 2.787 1.604 -0.874) 3.332 35.205 ( 6.859 3.273 14.630) 16.486 45.620 ( -6.435 0.672 4.658) 7.972 45.766 ( 0.146 -2.999 -2.817) 4.117 89.182 ( -0.205 1.407 -0.225) 1.439 89.351 ( -6.655 -1.630 -3.662) 7.769 89.842 ( 2.906 2.903 0.050) 4.108 91.550 ( 4.618 20.053 -5.694) 21.351 ======================= Grid point 296 (139/196) ======================= q-point: (-0.20 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -21.258 -0.000 -0.197) 21.259 2.065 ( -30.530 -0.000 11.411) 32.592 3.074 ( -11.252 -0.000 5.060) 12.338 3.080 ( 3.221 0.000 -2.878) 4.320 3.195 ( -16.219 -0.000 1.354) 16.276 3.625 ( -11.087 -0.000 -6.150) 12.678 3.690 ( -4.818 -0.000 -1.621) 5.084 3.890 ( -5.862 -0.000 -3.389) 6.771 4.203 ( 0.389 0.000 -2.625) 2.654 4.445 ( -24.560 -0.000 2.084) 24.648 4.625 ( 1.522 0.000 3.809) 4.102 5.025 ( -1.590 -0.000 -4.608) 4.875 6.506 ( -3.497 -0.000 -4.285) 5.531 6.800 ( -16.209 -0.000 9.601) 18.839 6.819 ( -8.880 -0.000 8.121) 12.034 7.250 ( 3.883 0.000 -4.930) 6.275 7.341 ( 0.276 0.000 -2.034) 2.052 7.787 ( -11.774 -0.000 2.617) 12.062 8.567 ( 0.575 0.000 4.253) 4.292 9.023 ( 17.901 0.000 -9.197) 20.126 9.484 ( 4.587 0.000 4.689) 6.560 10.005 ( -2.597 -0.000 -9.276) 9.632 10.267 ( 11.526 0.000 1.877) 11.678 10.870 ( -1.863 -0.000 -0.267) 1.882 11.775 ( 3.228 0.000 1.270) 3.469 11.917 ( 3.888 0.000 -1.537) 4.181 15.040 ( 5.563 0.000 -4.781) 7.336 15.117 ( -1.988 -0.000 6.135) 6.449 17.125 ( 1.853 0.000 1.719) 2.528 17.604 ( 1.567 0.000 -0.513) 1.649 17.782 ( -3.844 -0.000 -0.362) 3.861 17.971 ( -0.486 -0.000 -1.659) 1.729 18.536 ( -8.178 -0.000 0.862) 8.223 19.001 ( 2.706 0.000 -1.287) 2.997 22.784 ( 4.140 0.000 -2.466) 4.819 23.365 ( 15.023 0.000 7.565) 16.820 28.222 ( 2.443 0.000 0.610) 2.518 28.341 ( 0.805 0.000 -0.434) 0.914 29.222 ( 17.821 0.000 -5.396) 18.621 29.905 ( -11.977 -0.000 -43.531) 45.149 30.534 ( -7.382 -0.000 7.576) 10.577 30.657 ( 10.915 0.000 11.709) 16.007 30.932 ( -3.146 -0.000 6.569) 7.284 31.331 ( 3.890 0.000 -2.341) 4.540 31.999 ( -12.402 -0.000 -5.689) 13.645 32.517 ( -10.719 -0.000 -5.807) 12.191 34.369 ( 4.014 0.000 -1.174) 4.182 35.250 ( 11.788 0.000 16.666) 20.413 45.631 ( -7.844 -0.000 5.444) 9.548 45.724 ( -0.357 -0.000 -3.404) 3.423 89.207 ( 5.370 0.000 2.466) 5.909 89.323 ( -13.296 -0.000 -6.721) 14.898 89.880 ( 5.614 0.000 -0.621) 5.648 91.865 ( 14.494 0.000 -9.081) 17.104 ======================= Grid point 297 (140/196) ======================= q-point: (-0.10 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -18.814 1.323 14.678) 23.899 1.727 ( -28.031 -6.316 11.830) 31.073 2.872 ( -18.796 4.018 3.744) 19.582 2.955 ( -15.981 -3.431 7.949) 18.175 3.067 ( -3.176 7.015 1.642) 7.874 3.434 ( -17.285 -9.943 -5.972) 20.816 3.641 ( 1.729 0.177 -1.712) 2.439 3.762 ( -13.366 -9.121 -5.881) 17.217 4.147 ( -4.981 -0.972 -0.017) 5.075 4.244 ( -4.539 0.945 6.912) 8.323 4.634 ( -2.162 -1.570 -0.947) 2.835 5.067 ( 2.565 -9.001 -6.232) 11.245 6.295 ( -13.194 -1.309 -8.563) 15.784 6.605 ( -14.322 2.004 5.840) 15.596 6.820 ( -0.622 5.989 12.302) 13.696 7.319 ( -2.201 -7.801 5.745) 9.935 7.343 ( 10.184 5.330 -10.866) 15.817 7.640 ( -11.000 -4.405 1.741) 11.976 8.580 ( -3.682 0.420 4.957) 6.189 9.070 ( 0.104 0.764 -7.716) 7.754 9.599 ( 6.899 2.880 2.608) 7.918 9.849 ( -5.484 -1.372 -13.675) 14.798 10.597 ( 25.010 2.806 3.507) 25.410 10.792 ( -5.720 0.574 -3.259) 6.608 11.821 ( 2.464 0.942 1.033) 2.833 11.951 ( 3.379 1.485 -1.582) 4.016 15.074 ( -2.489 4.188 2.917) 5.678 15.127 ( 6.983 -0.585 -3.308) 7.749 17.182 ( 3.794 0.666 3.341) 5.098 17.637 ( 1.296 -2.926 -0.987) 3.349 17.721 ( -3.215 0.574 -0.316) 3.281 17.943 ( -1.422 0.047 -1.289) 1.920 18.390 ( -13.369 -1.602 0.837) 13.491 18.962 ( -3.888 2.797 -5.488) 7.284 22.835 ( 4.638 0.014 -1.729) 4.950 23.637 ( 16.305 6.009 7.064) 18.758 28.252 ( 2.143 1.742 0.626) 2.832 28.348 ( -0.496 -1.201 -1.566) 2.035 29.145 ( -23.486 14.310 -37.181) 46.248 29.545 ( 15.892 -6.129 -8.007) 18.821 30.459 ( -10.849 0.021 7.598) 13.245 30.867 ( 2.952 2.458 7.489) 8.417 30.988 ( 4.737 -6.133 6.643) 10.207 31.373 ( 3.964 -0.014 -1.835) 4.369 31.752 ( -13.257 1.199 -3.970) 13.891 32.347 ( -9.158 -5.439 -8.128) 13.398 34.422 ( 4.901 1.717 0.070) 5.194 35.513 ( 11.745 6.734 11.842) 17.987 45.556 ( -6.972 -0.143 4.800) 8.466 45.716 ( 0.786 -2.191 -3.171) 3.933 89.073 ( -12.294 1.476 -4.087) 13.039 89.310 ( 3.054 -2.373 2.925) 4.849 89.906 ( 1.372 3.513 -2.529) 4.541 91.702 ( -5.854 18.667 -29.929) 35.756 ======================= Grid point 307 (141/196) ======================= q-point: (-0.10 -0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -31.606 -0.000 18.430) 36.587 1.402 ( -13.835 -0.000 26.817) 30.176 2.596 ( -22.916 -0.000 4.634) 23.380 2.611 ( -43.080 -0.000 24.669) 49.643 3.087 ( -8.385 -0.000 -9.727) 12.842 3.117 ( -3.560 -0.000 3.093) 4.716 3.431 ( -6.562 -0.000 -12.639) 14.241 3.684 ( 3.207 0.000 2.889) 4.316 4.149 ( 2.228 0.000 7.891) 8.200 4.272 ( 0.070 0.000 8.131) 8.131 4.560 ( 1.289 0.000 -8.163) 8.264 5.035 ( 5.283 0.000 -7.604) 9.259 6.030 ( -11.978 -0.000 -6.221) 13.497 6.499 ( -2.945 -0.000 0.728) 3.033 6.959 ( -4.879 -0.000 15.888) 16.620 7.220 ( -5.710 -0.000 5.541) 7.956 7.470 ( -6.054 -0.000 1.416) 6.218 7.531 ( 16.944 0.000 -10.685) 20.032 8.528 ( -8.154 -0.000 4.516) 9.321 8.977 ( -5.424 -0.000 -3.234) 6.315 9.577 ( -11.861 -0.000 -20.442) 23.634 9.769 ( 7.320 0.000 3.029) 7.922 10.653 ( -8.131 -0.000 -4.290) 9.193 10.979 ( 17.981 0.000 -4.670) 18.577 11.863 ( 1.283 0.000 1.029) 1.645 11.995 ( 2.708 0.000 -1.662) 3.177 15.035 ( -7.462 -0.000 2.690) 7.932 15.239 ( 10.874 0.000 -4.916) 11.934 17.302 ( 6.810 0.000 5.461) 8.730 17.628 ( 2.058 0.000 -1.951) 2.836 17.688 ( -1.510 -0.000 -0.115) 1.514 17.912 ( -1.204 -0.000 -1.005) 1.569 18.169 ( -15.126 -0.000 0.870) 15.151 18.783 ( -15.980 -0.000 -14.097) 21.309 22.901 ( 5.044 0.000 -0.250) 5.050 23.961 ( 12.839 0.000 -4.062) 13.466 28.259 ( -12.359 -0.000 -9.985) 15.889 28.299 ( 1.567 0.000 0.602) 1.679 28.506 ( -23.510 -0.000 -16.501) 28.723 29.803 ( 22.164 0.000 0.150) 22.164 30.307 ( -15.830 -0.000 4.216) 16.382 30.921 ( -2.616 -0.000 5.621) 6.200 31.132 ( 10.426 0.000 8.853) 13.678 31.374 ( -4.262 -0.000 -1.628) 4.562 31.545 ( -6.546 -0.000 -7.339) 9.834 32.115 ( -9.590 -0.000 -4.764) 10.708 34.528 ( 6.214 0.000 2.447) 6.679 35.808 ( 11.013 0.000 -1.094) 11.067 45.488 ( -6.225 -0.000 4.490) 7.675 45.692 ( 1.194 0.000 -3.192) 3.408 88.881 ( -10.056 -0.000 -2.857) 10.454 89.357 ( 1.564 0.000 3.522) 3.854 89.930 ( 1.321 0.000 -4.392) 4.586 91.163 ( -44.123 -0.000 -59.536) 74.104 ======================= Grid point 308 (142/196) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.324 0.000 16.740) 16.792 1.621 ( -6.277 -0.000 8.438) 10.517 2.292 ( 0.381 0.000 1.930) 1.967 2.356 ( -7.388 -0.000 -4.383) 8.590 2.979 ( -7.569 -0.000 17.845) 19.384 3.093 ( -3.699 -0.000 1.542) 4.007 3.440 ( 14.832 0.000 5.313) 15.755 3.773 ( 2.124 0.000 -15.026) 15.175 4.318 ( 0.625 0.000 -3.630) 3.684 4.332 ( 3.139 0.000 -1.414) 3.443 4.760 ( 0.630 0.000 3.299) 3.359 4.869 ( 4.453 0.000 -6.930) 8.238 5.911 ( 5.142 0.000 7.871) 9.402 6.146 ( -6.923 -0.000 -14.041) 15.655 7.121 ( -13.090 -0.000 13.218) 18.603 7.343 ( 6.566 0.000 -6.146) 8.993 7.583 ( -5.236 -0.000 3.476) 6.285 7.680 ( 12.385 0.000 -6.687) 14.075 8.463 ( -3.441 -0.000 7.712) 8.445 8.650 ( 0.850 0.000 -9.123) 9.162 9.306 ( 13.346 0.000 11.705) 17.752 9.545 ( -11.126 -0.000 -10.378) 15.215 10.625 ( 9.534 0.000 2.112) 9.765 10.675 ( -12.595 -0.000 -2.581) 12.856 11.939 ( -0.501 -0.000 1.840) 1.907 11.979 ( 0.563 0.000 -1.954) 2.033 15.100 ( -3.462 -0.000 7.663) 8.409 15.264 ( 3.761 0.000 -7.466) 8.359 17.583 ( -0.568 -0.000 1.153) 1.286 17.605 ( -1.472 -0.000 -0.954) 1.754 17.729 ( -15.706 -0.000 1.027) 15.740 17.762 ( 13.101 0.000 -1.673) 13.208 17.876 ( -6.092 -0.000 2.569) 6.612 17.932 ( 6.892 0.000 -2.351) 7.281 23.183 ( 8.088 0.000 5.408) 9.730 23.303 ( -12.738 -0.000 -5.706) 13.958 28.331 ( 0.038 0.000 0.367) 0.369 28.340 ( -0.145 -0.000 -0.548) 0.567 29.233 ( 41.799 0.000 9.862) 42.946 29.461 ( -28.395 -0.000 -11.277) 30.552 30.603 ( 15.763 0.000 8.494) 17.906 30.783 ( -15.534 -0.000 -8.020) 17.482 31.134 ( -2.892 -0.000 8.708) 9.176 31.311 ( 2.016 0.000 -7.823) 8.079 31.633 ( 7.591 0.000 4.129) 8.642 31.743 ( -3.018 -0.000 -5.950) 6.672 35.008 ( 9.638 0.000 10.397) 14.178 35.219 ( -17.332 -0.000 -9.108) 19.580 45.513 ( -3.282 -0.000 4.829) 5.838 45.612 ( 2.900 0.000 -4.358) 5.234 88.760 ( 9.964 0.000 -0.026) 9.964 88.765 ( -15.777 -0.000 -0.444) 15.784 89.586 ( -2.377 -0.000 7.061) 7.451 89.741 ( 1.581 0.000 -7.230) 7.401 ======================= Grid point 309 (143/196) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 9.770 -1.579 8.174) 12.836 1.996 ( 22.619 -20.329 6.864) 31.177 2.269 ( -0.408 1.707 6.010) 6.261 2.424 ( 13.624 -0.807 -1.588) 13.740 3.027 ( -5.443 -3.921 10.397) 12.373 3.080 ( -5.735 -5.951 1.207) 8.352 3.688 ( 10.936 -0.958 5.410) 12.238 3.721 ( 7.428 -6.016 -20.567) 22.680 4.314 ( 4.338 4.149 -3.846) 7.129 4.402 ( 8.746 -0.975 -2.180) 9.066 4.788 ( -4.009 -5.605 2.969) 7.504 4.904 ( 1.437 -6.267 -10.101) 11.974 5.977 ( -4.181 -3.417 -10.223) 11.561 6.088 ( 8.060 -0.551 10.553) 13.291 6.982 ( -13.041 6.191 13.687) 19.893 7.285 ( 1.493 11.119 -2.848) 11.575 7.550 ( -6.104 -6.301 0.154) 8.774 7.725 ( 0.833 -2.727 -8.058) 8.547 8.521 ( 0.451 0.279 10.096) 10.110 8.696 ( 12.097 0.261 -8.803) 14.963 9.344 ( -4.586 -0.536 -10.320) 11.305 9.641 ( 18.117 -1.458 7.426) 19.634 10.482 ( -9.348 1.450 -0.024) 9.460 10.758 ( 6.126 2.162 3.076) 7.188 11.922 ( -1.833 1.933 1.945) 3.298 11.952 ( -0.504 1.811 -2.001) 2.745 15.079 ( -7.664 -0.951 6.974) 10.405 15.241 ( 0.318 -0.739 -7.085) 7.131 17.458 ( -6.173 4.520 2.293) 7.987 17.597 ( -2.391 -3.784 0.774) 4.542 17.659 ( -0.047 1.192 -0.486) 1.288 17.838 ( -1.454 -0.255 2.926) 3.278 18.057 ( 18.635 -2.415 -0.563) 18.800 18.062 ( 13.998 -1.592 -1.188) 14.138 23.093 ( -9.844 1.327 -2.900) 10.348 23.334 ( 6.509 2.355 8.143) 10.688 28.327 ( -0.629 0.816 -0.956) 1.406 28.339 ( 0.619 -0.166 1.092) 1.266 28.973 ( -20.350 -0.311 -17.537) 26.865 29.811 ( 28.354 4.026 1.613) 28.683 30.539 ( -6.653 -0.949 -9.380) 11.539 30.871 ( 8.410 -1.009 9.216) 12.517 31.136 ( -4.979 0.590 8.911) 10.224 31.266 ( -0.096 0.149 -7.540) 7.542 31.711 ( 3.884 -2.477 -3.108) 5.557 31.822 ( 11.050 -5.739 -4.664) 13.296 34.842 ( -20.196 6.411 -0.752) 21.203 35.194 ( 5.586 2.495 11.631) 13.142 45.519 ( -2.188 -1.792 4.850) 5.615 45.642 ( 3.897 -1.513 -4.177) 5.910 88.711 ( 6.105 0.260 -0.072) 6.111 89.023 ( 22.994 2.541 5.037) 23.676 89.629 ( -2.556 -3.017 5.944) 7.140 89.752 ( 3.252 -5.778 -4.652) 8.100 ======================= Grid point 310 (144/196) ======================= q-point: ( 0.20 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 8.239 -3.586 2.697) 9.382 2.349 ( 4.864 -2.634 1.713) 5.791 2.460 ( 11.777 0.447 4.422) 12.588 2.787 ( 13.440 -12.408 -7.981) 19.957 3.028 ( 0.940 -8.508 3.570) 9.274 3.132 ( 1.504 -5.773 4.786) 7.648 3.825 ( 6.797 -2.879 -3.902) 8.349 3.930 ( 10.950 -12.981 -6.693) 18.254 4.289 ( 6.963 7.271 -3.271) 10.585 4.545 ( 7.796 -1.748 -4.821) 9.332 4.772 ( -5.657 -3.394 -1.941) 6.877 4.995 ( 4.245 -13.123 -4.328) 14.456 5.995 ( 3.335 -8.479 -5.044) 10.414 6.309 ( 10.533 0.498 10.625) 14.969 6.803 ( -9.312 6.979 10.724) 15.825 7.138 ( 4.802 13.580 -5.154) 15.298 7.513 ( -9.357 -4.152 3.520) 10.825 7.774 ( 4.656 -7.552 -5.261) 10.315 8.562 ( -3.918 1.877 10.445) 11.312 8.794 ( 9.819 2.370 -8.060) 12.923 9.303 ( 5.299 -1.541 -5.398) 7.720 9.911 ( 7.457 -3.201 -0.265) 8.119 10.393 ( 0.642 2.862 4.467) 5.344 10.768 ( -2.711 3.106 1.354) 4.340 11.868 ( -2.539 3.170 1.665) 4.390 11.899 ( -0.950 2.504 -1.502) 3.070 15.005 ( -9.582 -1.149 5.526) 11.121 15.202 ( -0.241 -0.333 -5.340) 5.356 17.342 ( -3.382 4.754 0.232) 5.839 17.641 ( -0.320 -4.412 1.575) 4.696 17.651 ( 1.834 1.196 -0.734) 2.309 17.860 ( 1.130 -0.111 2.458) 2.708 18.257 ( 15.025 -0.824 -1.950) 15.173 18.423 ( 18.822 -2.980 3.040) 19.298 22.931 ( -7.311 1.396 -1.752) 7.646 23.407 ( 1.157 5.629 8.584) 10.330 28.283 ( -1.048 2.070 -2.087) 3.121 28.375 ( 1.186 -0.939 2.481) 2.905 28.662 ( -5.038 -1.847 -17.397) 18.206 29.909 ( -9.865 -2.662 -3.232) 10.717 30.557 ( 20.037 6.579 -7.605) 22.419 30.985 ( -1.271 1.051 8.116) 8.281 31.101 ( -6.181 1.397 8.965) 10.979 31.203 ( -1.607 -0.436 -5.678) 5.917 31.831 ( 5.775 -2.856 2.409) 6.878 32.065 ( 17.208 -9.519 -14.441) 24.397 34.488 ( -16.779 6.447 4.701) 18.579 35.280 ( 1.702 5.049 10.219) 11.525 45.560 ( -1.615 -3.220 4.665) 5.893 45.701 ( 4.666 -1.910 -3.737) 6.276 88.849 ( 13.206 1.619 -2.516) 13.541 89.350 ( 20.424 7.878 7.570) 23.163 89.622 ( -4.365 -3.447 -2.551) 6.119 90.010 ( 13.533 -11.177 8.438) 19.475 ======================= Grid point 311 (145/196) ======================= q-point: ( 0.30 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 3.787 -4.121 1.833) 5.889 2.397 ( 2.144 -0.788 -18.860) 18.998 2.545 ( 5.365 6.510 2.913) 8.925 2.841 ( -3.140 -8.450 4.828) 10.226 3.178 ( 0.355 -4.815 3.116) 5.746 3.494 ( 13.546 -12.060 -1.361) 18.188 3.876 ( 4.153 2.170 -7.051) 8.466 4.156 ( 3.644 -5.807 -0.494) 6.873 4.356 ( 7.605 -4.588 -1.053) 8.944 4.581 ( 5.260 -2.012 -9.275) 10.851 4.733 ( -3.128 0.135 2.312) 3.892 5.308 ( 12.817 -17.240 -2.831) 21.668 6.136 ( 1.552 -3.770 0.106) 4.079 6.469 ( 0.125 -0.008 13.706) 13.707 6.838 ( 16.419 -0.068 0.878) 16.442 7.000 ( 6.688 13.676 -6.869) 16.702 7.476 ( -6.494 -4.634 5.150) 9.496 7.940 ( 7.698 -6.125 -1.487) 9.949 8.522 ( -7.505 2.260 10.450) 13.063 8.784 ( 1.454 4.566 -6.126) 7.777 9.433 ( 10.088 -2.400 -1.464) 10.473 9.908 ( -6.027 -0.881 -4.156) 7.374 10.504 ( 8.702 0.956 7.322) 11.413 10.635 ( -9.336 1.651 -2.009) 9.692 11.798 ( -2.434 3.382 1.281) 4.360 11.840 ( -1.532 2.341 -0.919) 2.945 14.919 ( -7.946 -1.043 3.715) 8.833 15.163 ( -0.053 1.078 -3.591) 3.749 17.237 ( -2.514 3.967 -1.223) 4.853 17.667 ( 2.850 1.257 0.472) 3.151 17.711 ( 0.199 -4.336 0.789) 4.412 17.902 ( 2.018 -0.030 1.798) 2.703 18.488 ( 14.179 -2.004 -0.831) 14.344 18.703 ( 12.346 -0.429 2.540) 12.612 22.815 ( -4.736 0.868 -0.944) 4.906 23.352 ( -4.114 6.759 5.767) 9.792 28.220 ( -1.036 2.527 -2.149) 3.475 28.413 ( -0.244 -0.980 1.441) 1.759 28.614 ( 8.754 -0.763 -10.129) 13.409 29.703 ( -19.119 -7.742 -6.166) 21.529 30.725 ( 18.741 7.979 -4.783) 20.923 30.952 ( -3.509 3.024 3.513) 5.814 31.074 ( -4.808 0.382 8.775) 10.013 31.155 ( -2.631 -1.207 -1.418) 3.223 31.953 ( 3.225 0.769 8.153) 8.801 32.316 ( 15.706 -9.149 -20.130) 27.122 34.276 ( -9.181 2.409 6.589) 11.555 35.276 ( -1.013 5.763 7.020) 9.139 45.614 ( -1.539 -3.607 4.067) 5.650 45.768 ( 4.676 -1.276 -3.013) 5.708 88.995 ( 11.922 2.542 -2.385) 12.421 89.500 ( 2.478 4.960 3.890) 6.773 89.613 ( 4.883 -2.090 -2.739) 5.977 90.452 ( 16.211 -6.727 12.897) 21.781 ======================= Grid point 312 (146/196) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -4.602 1.367 -11.136) 12.126 2.256 ( 2.427 0.242 -7.791) 8.163 2.589 ( 2.015 -0.775 1.695) 2.745 2.977 ( -1.023 -6.761 8.793) 11.139 3.261 ( 2.002 -3.099 0.335) 3.704 3.652 ( 1.974 -0.483 -7.439) 7.712 3.840 ( 3.821 1.728 -5.600) 6.996 4.223 ( 3.597 2.631 2.374) 5.049 4.447 ( -3.348 -6.323 -3.146) 7.816 4.683 ( -1.801 1.732 1.169) 2.759 4.749 ( 9.645 -5.892 -2.074) 11.491 5.699 ( 10.929 -16.026 -0.368) 19.402 6.062 ( -8.576 5.222 5.721) 11.556 6.621 ( 1.667 -4.172 0.150) 4.495 6.871 ( 8.169 8.118 -1.048) 11.564 7.208 ( 20.265 -1.817 1.167) 20.380 7.513 ( 0.649 -2.383 2.828) 3.755 8.107 ( 7.121 -2.204 0.641) 7.482 8.450 ( -8.109 0.128 8.165) 11.508 8.644 ( -5.711 4.849 -4.266) 8.621 9.532 ( 0.955 1.311 -4.810) 5.076 9.859 ( 3.024 -2.232 3.649) 5.239 10.429 ( -11.562 -0.138 -5.480) 12.796 10.678 ( 6.425 -0.367 5.003) 8.151 11.737 ( -1.667 2.394 1.244) 3.172 11.785 ( -1.389 1.404 -0.904) 2.171 14.859 ( -4.499 -1.134 1.995) 5.051 15.122 ( 0.056 1.811 -2.288) 2.919 17.155 ( -1.411 2.548 -1.336) 3.204 17.707 ( 2.836 0.413 0.879) 2.998 17.760 ( -0.350 -2.642 0.409) 2.696 17.939 ( 1.323 0.030 1.126) 1.738 18.699 ( 9.719 -2.982 -0.239) 10.169 18.835 ( 4.776 1.826 1.319) 5.280 22.756 ( -1.745 0.112 -0.440) 1.803 23.235 ( -4.639 4.576 2.809) 7.096 28.163 ( -0.715 1.925 -1.493) 2.538 28.424 ( -0.151 -0.483 0.406) 0.649 28.729 ( 12.191 1.411 -4.419) 13.043 29.485 ( -17.436 -9.162 -6.572) 20.764 30.793 ( 1.667 3.149 -0.112) 3.565 30.923 ( 3.957 4.177 1.729) 6.008 31.066 ( -0.416 1.550 3.141) 3.527 31.141 ( -1.497 -1.606 1.761) 2.814 32.029 ( 0.519 2.656 11.205) 11.527 32.449 ( 9.459 -5.574 -20.657) 23.394 34.235 ( -2.506 -1.383 5.374) 6.089 35.226 ( -1.897 4.306 4.432) 6.464 45.659 ( -1.717 -2.894 3.226) 4.662 45.821 ( 3.701 0.073 -2.271) 4.343 89.106 ( 8.826 2.406 -0.941) 9.197 89.437 ( -5.784 -0.933 -1.530) 6.055 89.716 ( 6.638 1.402 0.881) 6.841 90.798 ( 10.043 -3.559 9.022) 13.961 ======================= Grid point 313 (147/196) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -4.682 2.332 -7.621) 9.243 2.266 ( 0.078 0.601 -0.381) 0.716 2.630 ( -0.275 -2.195 -0.387) 2.246 3.078 ( -2.810 -3.323 7.614) 8.770 3.307 ( 1.277 -0.326 -1.624) 2.092 3.575 ( 1.039 2.746 -7.294) 7.863 3.847 ( 2.024 1.047 -3.331) 4.036 4.255 ( 2.320 3.688 5.570) 7.071 4.416 ( -2.967 -1.016 -5.114) 5.999 4.649 ( -0.115 1.311 2.139) 2.512 4.856 ( -2.034 1.160 1.883) 3.005 5.893 ( -9.533 5.468 7.555) 13.336 6.027 ( 8.258 -12.813 -4.910) 16.015 6.557 ( -1.253 3.648 -3.485) 5.199 6.975 ( 3.938 -0.713 0.296) 4.013 7.434 ( 2.948 -1.207 6.289) 7.050 7.501 ( -6.515 3.582 0.203) 7.438 8.198 ( 0.784 1.173 1.242) 1.879 8.449 ( 0.393 -3.766 1.402) 4.038 8.518 ( 3.257 0.436 -3.737) 4.976 9.453 ( -0.673 1.810 -2.407) 3.086 10.052 ( 10.237 -1.663 5.990) 11.977 10.210 ( -10.423 0.921 -6.488) 12.312 10.769 ( 1.291 -1.005 1.236) 2.050 11.715 ( 0.127 0.455 1.099) 1.196 11.761 ( 0.214 -0.445 -1.059) 1.168 14.847 ( -0.443 -1.442 0.563) 1.610 15.092 ( 0.287 1.107 -0.950) 1.487 17.115 ( 0.048 0.848 -0.448) 0.960 17.739 ( 0.867 0.176 0.255) 0.920 17.774 ( -0.759 -0.605 0.298) 1.016 17.956 ( 0.246 0.011 0.514) 0.570 18.822 ( -2.497 2.322 0.618) 3.466 18.837 ( 2.752 -2.590 -0.319) 3.792 22.746 ( 0.620 -0.065 -0.643) 0.896 23.177 ( -0.328 -0.028 1.567) 1.601 28.135 ( 0.118 0.303 -0.725) 0.795 28.427 ( -0.081 0.302 0.437) 0.537 28.819 ( 2.272 -1.194 -4.096) 4.834 29.355 ( -4.810 -4.678 -4.275) 7.956 30.756 ( -3.133 1.446 3.754) 5.099 30.926 ( -3.929 -0.784 3.573) 5.368 31.072 ( 3.476 2.701 -0.611) 4.444 31.181 ( 5.108 0.376 -1.054) 5.229 32.068 ( -2.523 2.602 12.718) 13.225 32.447 ( 4.044 -1.626 -18.937) 19.432 34.272 ( -0.137 -1.676 2.256) 2.814 35.199 ( -0.885 0.294 3.367) 3.494 45.681 ( -1.997 -1.557 2.517) 3.570 45.838 ( 2.064 1.787 -1.806) 3.273 89.169 ( 1.908 0.990 -0.404) 2.187 89.367 ( -2.541 -1.099 -1.106) 2.981 89.768 ( 0.748 -0.011 0.434) 0.865 90.976 ( 2.249 -4.028 1.476) 4.844 ======================= Grid point 314 (148/196) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -3.149 0.571 8.590) 9.167 2.214 ( -2.982 4.143 0.266) 5.112 2.629 ( -2.651 -3.410 -2.391) 4.937 3.073 ( -4.181 1.613 2.051) 4.928 3.282 ( -0.569 2.817 -0.989) 3.040 3.558 ( 3.194 0.476 -1.286) 3.476 3.805 ( -1.831 2.635 -2.710) 4.200 4.256 ( -0.465 4.334 1.426) 4.586 4.349 ( 0.082 3.960 2.800) 4.851 4.667 ( -5.769 6.236 2.728) 8.922 4.690 ( -7.639 2.092 3.711) 8.746 5.655 ( -12.361 11.892 2.187) 17.291 6.229 ( 4.994 -8.274 -7.535) 12.255 6.545 ( -0.429 -2.664 5.158) 5.822 6.946 ( -3.767 -1.037 -5.818) 7.008 7.187 ( -21.004 6.159 2.131) 21.992 7.521 ( 2.365 1.065 2.130) 3.356 8.078 ( -10.630 3.741 3.220) 11.720 8.568 ( 3.147 -3.135 2.196) 4.956 8.663 ( 14.400 -5.142 -9.978) 18.258 9.462 ( 1.859 -0.618 1.484) 2.457 9.966 ( -7.777 3.730 -6.147) 10.591 10.309 ( 13.181 -1.131 5.736) 14.420 10.759 ( -3.882 -1.388 -2.595) 4.871 11.743 ( 1.610 -1.410 0.749) 2.267 11.789 ( 2.098 -2.227 -1.222) 3.294 14.891 ( 3.598 -1.697 -0.647) 4.030 15.090 ( 0.400 -0.123 0.369) 0.557 17.130 ( 1.742 -0.870 0.895) 2.143 17.723 ( -2.480 -0.281 -0.725) 2.599 17.764 ( 0.146 1.874 0.216) 1.892 17.953 ( -0.711 0.093 -0.202) 0.745 18.690 ( -9.700 3.397 0.568) 10.294 18.866 ( -4.135 -3.352 -1.398) 5.503 22.762 ( 2.339 0.009 -0.951) 2.525 23.258 ( 4.868 -5.385 0.852) 7.309 28.149 ( 0.980 -1.556 -0.109) 1.842 28.415 ( -0.986 1.117 0.549) 1.588 28.742 ( -13.020 -6.247 -5.602) 15.489 29.418 ( 13.319 3.346 -0.423) 13.739 30.713 ( -7.744 -0.288 6.531) 10.134 30.901 ( -4.336 -2.544 3.297) 6.012 31.091 ( 3.593 1.646 -1.022) 4.082 31.250 ( 7.900 1.323 -4.904) 9.392 32.062 ( -7.082 3.517 14.069) 16.139 32.345 ( 0.498 1.453 -17.196) 17.265 34.297 ( 1.139 -0.961 -0.634) 1.620 35.251 ( 0.671 -5.049 2.481) 5.665 45.676 ( -2.422 -0.196 2.177) 3.263 45.810 ( 0.511 3.419 -1.781) 3.889 89.112 ( -7.802 -1.369 -1.349) 8.035 89.394 ( 4.508 1.030 1.811) 4.966 89.746 ( -5.636 -2.808 -1.227) 6.415 90.988 ( -6.099 -5.609 -7.987) 11.509 ======================= Grid point 315 (149/196) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -5.240 0.631 23.278) 23.869 2.073 ( -6.443 8.307 2.773) 10.872 2.623 ( -5.046 -8.037 -3.744) 10.202 2.964 ( -3.358 4.571 -2.874) 6.358 3.216 ( -2.366 4.915 1.747) 5.728 3.537 ( -0.609 10.133 -7.112) 12.395 3.721 ( -3.869 -0.584 5.717) 6.928 4.130 ( -7.919 13.931 1.899) 16.137 4.306 ( -10.344 5.101 2.728) 11.852 4.375 ( -4.346 2.125 9.231) 10.422 4.718 ( -2.077 -0.602 3.797) 4.370 5.296 ( -8.846 15.920 -2.261) 18.352 6.213 ( -4.397 3.809 -6.019) 8.371 6.617 ( -8.255 -5.990 3.852) 10.902 6.864 ( -7.839 1.225 0.969) 7.993 6.939 ( 0.617 -8.974 -7.366) 11.627 7.541 ( 4.862 4.281 -0.701) 6.516 7.880 ( -10.053 7.108 3.963) 12.934 8.624 ( -3.326 -3.394 2.811) 5.521 8.820 ( 8.082 -3.349 -10.304) 13.517 9.442 ( -8.878 -1.544 -2.322) 9.306 9.851 ( 3.486 4.148 0.530) 5.444 10.576 ( 13.864 -3.169 2.727) 14.481 10.656 ( -8.022 -1.763 -5.624) 9.955 11.799 ( 1.635 -2.384 0.756) 2.988 11.851 ( 2.820 -2.982 -1.562) 4.392 14.982 ( 6.089 -1.835 -1.202) 6.472 15.106 ( 0.828 -0.120 0.757) 1.128 17.202 ( 3.543 -2.483 2.005) 4.768 17.680 ( -2.802 -0.564 -0.784) 2.964 17.730 ( 0.174 3.458 -0.647) 3.523 17.931 ( -1.344 0.318 -0.876) 1.636 18.470 ( -14.492 2.770 0.788) 14.775 18.771 ( -11.643 -2.792 -3.689) 12.528 22.809 ( 4.401 -0.493 -0.374) 4.444 23.441 ( 5.744 -9.640 -1.921) 11.385 28.192 ( 0.594 -2.697 0.057) 2.763 28.373 ( -3.947 1.475 2.870) 5.099 28.563 ( -12.259 -3.069 -4.032) 13.265 29.621 ( 19.971 5.459 1.404) 20.751 30.603 ( -16.181 -2.746 6.550) 17.671 30.934 ( 0.506 -2.215 4.562) 5.096 31.122 ( 4.121 0.842 -1.921) 4.624 31.303 ( 6.951 0.700 -7.632) 10.347 31.940 ( -12.676 8.861 13.357) 20.436 32.198 ( -1.936 1.569 -13.488) 13.717 34.354 ( 5.240 -2.656 -1.157) 5.988 35.366 ( 0.746 -9.405 -0.684) 9.459 45.647 ( -3.222 0.757 2.472) 4.131 45.746 ( -0.047 4.421 -2.387) 5.024 88.981 ( -10.556 -1.474 -0.932) 10.699 89.467 ( 4.907 2.721 4.032) 6.910 89.662 ( -11.104 -7.491 -4.431) 14.108 90.793 ( -16.075 -3.546 -18.186) 24.530 ======================= Grid point 316 (150/196) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -14.008 9.806 12.275) 21.049 2.000 ( -7.319 2.344 23.551) 24.773 2.577 ( -13.737 -6.890 -1.371) 15.429 2.832 ( -6.253 5.329 -6.888) 10.721 3.067 ( -4.963 7.394 -0.997) 8.961 3.246 ( -5.292 11.373 -0.946) 12.579 3.672 ( -17.082 16.908 4.751) 24.500 3.785 ( 0.149 2.462 6.106) 6.586 4.246 ( -2.603 -3.613 1.438) 4.679 4.400 ( -2.544 0.029 7.944) 8.341 4.671 ( -3.434 4.709 6.394) 8.651 5.042 ( 5.044 13.650 -7.084) 16.185 6.003 ( -5.601 7.484 -4.534) 10.390 6.462 ( -9.196 0.296 -3.657) 9.901 6.945 ( -2.443 -11.814 6.580) 13.742 7.085 ( 7.552 -11.090 -9.052) 16.185 7.563 ( 7.701 6.140 -0.199) 9.851 7.665 ( -7.028 9.759 3.944) 12.656 8.606 ( -8.159 -2.602 5.333) 10.088 8.845 ( 2.514 -0.995 -10.380) 10.726 9.254 ( -12.647 -0.535 -2.463) 12.896 9.883 ( 2.193 3.751 1.947) 4.761 10.511 ( -6.700 -2.527 -6.076) 9.391 10.803 ( 6.520 -5.283 -1.791) 8.581 11.858 ( 0.922 -2.513 1.376) 3.010 11.917 ( 2.560 -2.769 -1.967) 4.253 15.070 ( -0.076 -1.497 3.524) 3.830 15.143 ( 8.041 1.326 -3.961) 9.061 17.325 ( 5.176 -3.895 1.974) 6.772 17.653 ( -1.214 -1.035 -0.618) 1.711 17.677 ( 0.892 4.389 -1.653) 4.774 17.899 ( -0.778 0.449 -1.300) 1.580 18.219 ( -15.723 1.524 1.477) 15.866 18.521 ( -20.428 -0.809 -6.196) 21.363 22.900 ( 6.192 -0.948 0.987) 6.341 23.587 ( -0.897 -10.346 -7.731) 12.946 28.223 ( -1.193 -2.298 3.860) 4.648 28.356 ( 1.518 1.997 8.911) 9.257 28.433 ( -3.597 1.344 -2.380) 4.518 29.870 ( 18.507 3.693 0.616) 18.882 30.405 ( -20.133 -2.626 6.346) 21.272 31.019 ( 1.072 -1.933 6.681) 7.037 31.155 ( 3.294 -0.108 -4.972) 5.965 31.324 ( 4.321 -0.440 -9.203) 10.176 31.689 ( -12.750 11.926 11.667) 20.998 32.044 ( -4.737 2.427 -8.450) 9.987 34.517 ( 10.006 -4.565 1.216) 11.065 35.472 ( -1.914 -11.232 -6.839) 13.289 45.599 ( -4.450 1.253 3.750) 5.953 45.672 ( 0.926 4.114 -3.779) 5.662 88.833 ( -9.788 -0.672 -0.673) 9.834 89.477 ( -8.329 -0.234 0.174) 8.334 89.578 ( -7.397 -9.504 -3.654) 12.586 90.324 ( -22.201 7.016 -20.966) 31.332 ======================= Grid point 317 (151/196) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -13.218 10.392 16.371) 23.467 1.873 ( -22.371 9.019 16.294) 29.108 2.364 ( -17.258 -2.964 3.281) 17.815 2.548 ( -6.376 1.151 -14.447) 15.833 3.054 ( -14.157 8.317 22.120) 27.548 3.102 ( 6.255 -0.364 -0.329) 6.274 3.316 ( 0.971 12.849 -0.512) 12.896 3.813 ( 1.957 0.519 -2.902) 3.538 4.284 ( 0.282 -3.484 -0.038) 3.496 4.373 ( -4.221 -0.266 -0.654) 4.279 4.684 ( 3.508 2.566 8.713) 9.737 4.926 ( 6.435 10.895 -7.949) 14.943 5.860 ( -0.588 3.803 1.077) 3.996 6.325 ( -3.567 0.177 -11.232) 11.786 7.114 ( -5.878 -12.601 10.311) 17.310 7.244 ( 4.323 -6.615 -6.455) 10.203 7.550 ( 7.069 6.600 0.466) 9.683 7.602 ( 5.663 5.587 1.612) 8.117 8.525 ( -10.277 -0.312 6.570) 12.202 8.771 ( -3.046 -0.542 -12.520) 12.896 9.139 ( -1.993 0.707 8.144) 8.413 9.781 ( -9.076 1.886 -5.274) 10.665 10.492 ( 4.266 -1.802 -1.121) 4.765 10.838 ( -6.332 -3.356 -4.487) 8.455 11.910 ( 0.563 -1.885 1.877) 2.719 11.965 ( 1.763 -1.731 -2.026) 3.195 15.088 ( -2.172 0.525 6.919) 7.271 15.228 ( 8.633 0.694 -6.682) 10.939 17.475 ( 5.915 -4.580 0.765) 7.520 17.628 ( 0.113 2.149 -1.590) 2.675 17.668 ( 4.261 0.948 -1.422) 4.591 17.887 ( 1.578 0.367 -1.544) 2.238 18.004 ( -12.959 0.355 2.396) 13.184 18.110 ( -25.906 2.185 -4.269) 26.346 23.029 ( 7.452 -0.878 2.878) 8.037 23.525 ( -11.082 -4.843 -9.851) 15.598 28.298 ( 1.044 -2.831 1.806) 3.516 28.368 ( -0.966 1.685 -1.411) 2.400 28.596 ( 24.494 1.205 17.531) 30.145 29.896 ( -17.957 -1.681 -5.872) 18.967 30.334 ( 9.423 2.304 9.406) 13.512 31.064 ( -10.011 1.174 -8.442) 13.148 31.095 ( -0.880 -0.811 8.197) 8.284 31.321 ( 3.463 -0.576 -7.821) 8.573 31.543 ( 0.386 5.571 8.732) 10.365 31.877 ( -5.353 2.974 -5.925) 8.521 34.762 ( 11.563 -3.470 5.713) 13.355 35.452 ( -8.949 -7.614 -11.858) 16.694 45.545 ( -4.482 1.201 4.702) 6.607 45.622 ( 2.043 2.231 -4.497) 5.420 88.723 ( -3.348 -0.090 -1.144) 3.539 89.171 ( -32.346 -6.089 -9.257) 34.191 89.587 ( -2.539 -0.150 4.937) 5.554 89.851 ( -4.159 10.092 -9.557) 14.508 ======================= Grid point 319 (152/196) ======================= q-point: ( 0.10 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 13.944 0.000 14.090) 19.824 2.093 ( 18.119 0.000 -13.231) 22.436 2.460 ( 15.489 0.000 16.799) 22.850 2.640 ( 11.932 0.000 -7.593) 14.143 2.945 ( -3.084 -0.000 8.089) 8.657 3.082 ( 5.514 0.000 0.036) 5.514 3.652 ( 9.557 0.000 -16.807) 19.334 3.842 ( 7.321 0.000 0.768) 7.361 4.427 ( 7.394 0.000 -4.550) 8.681 4.509 ( 9.810 0.000 -1.790) 9.972 4.701 ( -3.939 -0.000 2.608) 4.724 4.804 ( 3.476 0.000 -14.911) 15.310 5.876 ( 2.010 0.000 -3.902) 4.389 6.317 ( 13.010 0.000 8.963) 15.798 6.916 ( -13.505 -0.000 12.916) 18.687 7.412 ( -3.370 -0.000 6.110) 6.978 7.416 ( 0.108 0.000 -1.486) 1.490 7.610 ( 2.046 0.000 -13.113) 13.271 8.590 ( -3.857 -0.000 11.895) 12.505 8.827 ( 11.899 0.000 -9.513) 15.235 9.286 ( 4.917 0.000 -4.838) 6.898 9.868 ( 8.310 0.000 -0.926) 8.362 10.431 ( 0.352 0.000 4.579) 4.593 10.814 ( -4.266 -0.000 2.343) 4.867 11.912 ( -2.932 -0.000 2.005) 3.552 11.935 ( -1.292 -0.000 -2.004) 2.384 14.991 ( -9.301 -0.000 6.165) 11.159 15.201 ( 1.197 0.000 -4.957) 5.099 17.481 ( -3.479 -0.000 -2.941) 4.556 17.488 ( -0.597 -0.000 4.008) 4.052 17.690 ( 2.117 0.000 -1.120) 2.395 17.856 ( 0.904 0.000 2.296) 2.468 18.247 ( 14.804 0.000 -2.606) 15.032 18.370 ( 19.464 0.000 5.654) 20.268 22.949 ( -7.980 -0.000 -2.003) 8.227 23.486 ( 0.831 0.000 11.113) 11.144 28.323 ( -0.759 -0.000 -0.573) 0.951 28.346 ( 0.379 0.000 0.757) 0.846 28.636 ( -4.619 -0.000 -17.812) 18.401 29.861 ( -15.682 -0.000 -4.256) 16.249 30.673 ( 26.651 0.000 -12.664) 29.507 30.993 ( -1.141 -0.000 9.102) 9.173 31.121 ( -6.514 -0.000 9.590) 11.593 31.204 ( -0.797 -0.000 -6.877) 6.923 31.746 ( 13.226 0.000 -11.129) 17.285 31.969 ( 13.069 0.000 0.054) 13.069 34.592 ( -18.280 -0.000 2.205) 18.412 35.341 ( -1.614 -0.000 14.918) 15.006 45.517 ( -1.283 -0.000 4.589) 4.765 45.675 ( 5.514 0.000 -3.665) 6.621 88.873 ( 14.797 0.000 -3.747) 15.264 89.463 ( 15.388 0.000 4.416) 16.009 89.654 ( 0.285 0.000 7.429) 7.435 89.776 ( 16.733 0.000 6.218) 17.851 ======================= Grid point 320 (153/196) ======================= q-point: ( 0.20 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 9.882 6.852 0.451) 12.033 2.343 ( 4.331 -2.784 -8.388) 9.842 2.687 ( 2.647 -2.894 3.905) 5.535 2.784 ( 12.202 6.705 2.413) 14.130 3.101 ( 9.609 -2.162 5.536) 11.299 3.225 ( 16.481 -4.712 -3.318) 17.459 3.795 ( 8.587 -12.280 -5.626) 16.006 3.922 ( 5.393 -0.321 -5.943) 8.032 4.414 ( -0.750 2.700 -4.936) 5.676 4.605 ( 8.651 3.916 -5.877) 11.168 4.703 ( -0.888 -1.321 3.664) 3.995 4.907 ( 13.852 -12.200 -10.932) 21.454 5.991 ( 9.667 -4.179 1.845) 10.692 6.538 ( -0.292 2.327 14.374) 14.564 6.866 ( 9.206 1.708 1.855) 9.545 7.311 ( -6.431 4.325 -4.874) 9.155 7.392 ( 3.334 3.855 3.809) 6.363 7.733 ( 9.855 -8.846 -4.194) 13.892 8.568 ( -9.879 1.070 12.605) 16.051 8.872 ( 3.803 1.872 -8.406) 9.414 9.401 ( 10.362 -0.403 1.773) 10.520 9.882 ( -1.541 -0.799 -6.714) 6.935 10.540 ( 6.856 1.172 7.713) 10.386 10.667 ( -13.844 0.694 -1.032) 13.900 11.867 ( -3.409 1.614 1.849) 4.200 11.889 ( -1.889 1.171 -1.736) 2.820 14.903 ( -7.777 -0.267 4.886) 9.188 15.197 ( 2.312 1.079 -2.486) 3.562 17.361 ( -2.307 5.307 -2.792) 6.425 17.568 ( -0.131 -6.018 1.575) 6.222 17.710 ( 3.001 1.564 -0.705) 3.456 17.892 ( 1.415 -0.567 1.665) 2.257 18.450 ( 13.429 -0.811 -1.886) 13.585 18.669 ( 12.366 -1.356 6.039) 13.829 22.830 ( -5.957 0.276 -1.266) 6.097 23.489 ( -7.662 3.191 9.076) 12.298 28.284 ( -1.101 2.238 -1.289) 2.808 28.364 ( -0.426 -2.241 -0.577) 2.353 28.607 ( 11.953 0.034 -7.411) 14.065 29.547 ( -21.922 -3.586 -5.395) 22.859 30.882 ( 14.017 3.647 -10.760) 18.043 30.978 ( -6.733 -0.057 5.387) 8.623 31.096 ( -6.011 -0.595 9.742) 11.463 31.161 ( 4.252 2.237 -6.154) 7.807 31.926 ( 15.169 -2.839 -7.388) 17.109 32.180 ( 15.715 -1.102 -5.015) 16.533 34.360 ( -13.234 2.858 5.507) 14.617 35.367 ( -6.557 1.459 12.090) 13.831 45.546 ( -0.590 -1.469 4.235) 4.521 45.746 ( 6.665 -0.446 -3.284) 7.444 89.048 ( 12.970 1.324 -4.036) 13.648 89.500 ( -3.446 -1.680 -5.186) 6.449 89.695 ( 4.837 4.123 5.953) 8.708 90.325 ( 25.101 -2.874 22.735) 33.988 ======================= Grid point 321 (154/196) ======================= q-point: ( 0.30 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 1.805 4.499 -5.898) 7.634 2.304 ( 5.142 0.350 -9.829) 11.098 2.720 ( 3.023 10.568 2.913) 11.371 2.885 ( 8.791 0.895 6.354) 10.884 3.250 ( 7.513 1.598 3.228) 8.332 3.547 ( 11.914 -6.563 -3.767) 14.114 3.918 ( 4.329 2.698 -8.697) 10.083 4.084 ( 8.038 -15.326 -2.568) 17.495 4.329 ( -2.460 -0.760 -4.265) 4.982 4.655 ( 10.160 2.240 -5.888) 11.955 4.725 ( -0.731 0.495 2.298) 2.461 5.267 ( 14.089 -16.701 -3.733) 22.167 6.186 ( 3.457 2.729 6.539) 7.884 6.506 ( -5.507 -1.431 12.912) 14.110 7.117 ( 5.068 6.423 -5.791) 10.023 7.172 ( 14.244 -1.138 -2.549) 14.515 7.464 ( 8.608 1.227 1.549) 8.832 7.974 ( 9.702 -7.502 -1.319) 12.335 8.459 ( -15.180 0.525 12.408) 19.613 8.763 ( -5.995 3.754 -5.783) 9.136 9.579 ( 9.239 1.837 0.695) 9.446 9.813 ( 0.200 -1.270 -3.173) 3.423 10.410 ( -14.907 -0.884 -4.248) 15.525 10.692 ( 5.980 0.933 6.499) 8.880 11.803 ( -3.112 2.342 1.307) 4.109 11.827 ( -2.507 1.528 -1.182) 3.165 14.843 ( -4.667 -0.228 3.618) 5.909 15.189 ( 1.810 2.892 -1.772) 3.845 17.246 ( -1.411 4.471 -3.114) 5.629 17.647 ( -0.763 -5.764 0.881) 5.880 17.734 ( 3.063 1.703 0.461) 3.535 17.930 ( 0.925 -0.804 0.970) 1.563 18.627 ( 8.504 -2.361 -1.120) 8.897 18.844 ( 4.338 -0.722 3.714) 5.756 22.752 ( -3.265 -0.260 -0.631) 3.335 23.344 ( -10.922 3.511 4.463) 12.310 28.224 ( -1.318 2.589 -1.379) 3.215 28.383 ( -0.377 -2.315 -0.531) 2.405 28.792 ( 14.560 3.236 0.672) 14.930 29.266 ( -18.632 -7.489 -3.192) 20.333 30.869 ( -0.263 2.726 -3.668) 4.577 30.909 ( -7.978 -1.972 2.795) 8.681 31.089 ( -4.814 -1.998 5.008) 7.228 31.197 ( 11.670 5.015 -6.025) 14.058 32.113 ( 10.365 1.214 2.039) 10.633 32.354 ( 14.368 -0.233 -13.256) 19.550 34.228 ( -6.766 0.957 6.655) 9.538 35.303 ( -8.326 1.490 7.246) 11.137 45.592 ( -0.319 -2.026 3.817) 4.333 45.827 ( 6.817 0.273 -3.128) 7.505 89.166 ( 8.851 2.185 -1.871) 9.307 89.406 ( -6.590 -1.482 -3.432) 7.577 89.758 ( 3.336 1.477 2.108) 4.213 90.787 ( 13.656 1.827 19.978) 24.268 ======================= Grid point 322 (155/196) ======================= q-point: ( 0.40 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -1.267 6.041 -10.011) 11.761 2.366 ( 7.593 3.192 0.140) 8.238 2.671 ( 5.502 8.662 0.942) 10.305 3.034 ( 4.351 0.191 7.819) 8.950 3.344 ( 5.915 2.852 2.455) 7.010 3.631 ( 1.947 1.132 -7.340) 7.678 3.900 ( 5.152 2.555 -5.294) 7.817 4.297 ( 1.060 -8.549 -5.904) 10.444 4.339 ( 7.878 1.132 -0.232) 7.962 4.688 ( -0.506 2.529 -1.213) 2.850 4.776 ( 4.577 -4.669 -0.884) 6.598 5.648 ( 10.169 -15.533 0.098) 18.565 6.084 ( -9.677 9.504 11.857) 18.016 6.591 ( -0.219 -2.140 -1.581) 2.669 7.058 ( 6.403 5.585 -1.277) 8.591 7.347 ( 1.019 -3.994 4.440) 6.058 7.593 ( 5.045 3.225 -3.528) 6.950 8.155 ( 4.318 -4.438 -1.376) 6.343 8.348 ( -7.321 -3.458 6.203) 10.200 8.563 ( -7.429 2.856 -2.468) 8.332 9.556 ( 2.467 5.636 -5.578) 8.305 9.982 ( 11.527 -3.453 6.324) 13.593 10.203 ( -10.179 -1.486 -5.416) 11.626 10.775 ( 1.522 1.213 3.440) 3.952 11.745 ( -1.760 1.679 0.490) 2.481 11.768 ( -1.940 0.862 -0.510) 2.183 14.827 ( -0.841 -0.185 2.760) 2.891 15.156 ( 1.537 3.482 -2.001) 4.300 17.166 ( -0.085 3.052 -2.338) 3.845 17.698 ( -1.799 -4.353 0.163) 4.713 17.762 ( 1.958 1.003 1.211) 2.511 17.951 ( -0.014 -0.565 0.442) 0.718 18.735 ( 1.133 -4.004 -0.577) 4.201 18.872 ( -3.095 0.621 1.540) 3.512 22.731 ( -0.329 -0.970 -0.490) 1.135 23.188 ( -8.034 0.722 1.705) 8.244 28.165 ( -1.064 1.941 -1.242) 2.538 28.402 ( -0.491 -2.048 -0.202) 2.116 28.806 ( -9.363 0.099 -1.561) 9.493 29.258 ( 7.003 -2.886 5.277) 9.231 30.798 ( -5.194 1.145 1.027) 5.417 30.836 ( -6.710 -3.405 0.554) 7.545 31.084 ( -2.618 -1.646 2.628) 4.058 31.262 ( 10.672 4.001 -6.805) 13.274 32.222 ( 5.052 7.204 10.317) 13.559 32.418 ( 10.731 0.417 -18.743) 21.602 34.218 ( -2.302 -1.902 5.470) 6.232 35.207 ( -7.943 -0.046 3.592) 8.718 45.638 ( -0.451 -1.581 3.491) 3.858 45.887 ( 5.931 1.822 -3.239) 6.999 89.199 ( -1.463 1.279 -2.663) 3.297 89.341 ( -0.639 -0.957 1.216) 1.674 89.768 ( -1.998 -0.029 -0.140) 2.003 90.984 ( 3.123 3.787 11.092) 12.129 ======================= Grid point 323 (156/196) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 1.851 5.552 1.305) 5.997 2.409 ( 6.904 7.495 -0.270) 10.194 2.655 ( 3.860 7.446 0.824) 8.428 3.116 ( 0.795 1.877 6.853) 7.150 3.386 ( 3.390 3.643 1.520) 5.203 3.575 ( 1.883 1.872 -4.732) 5.426 3.895 ( 3.745 3.680 -4.837) 7.139 4.336 ( 1.768 -1.678 -8.132) 8.489 4.425 ( 7.141 5.523 5.158) 10.397 4.648 ( -1.141 -0.493 -0.405) 1.307 4.822 ( -5.291 0.328 1.635) 5.548 5.872 ( -12.793 5.662 11.105) 17.862 5.968 ( 6.953 -9.904 -2.320) 12.321 6.535 ( -2.523 0.218 -2.406) 3.493 7.007 ( -5.086 5.411 -3.551) 8.232 7.372 ( -14.679 6.946 -0.949) 16.267 7.482 ( 2.981 -3.384 4.259) 6.203 8.120 ( -10.161 -0.428 1.044) 10.223 8.476 ( 9.523 -4.679 -0.769) 10.638 8.528 ( 3.844 -3.839 -4.064) 6.784 9.516 ( 3.834 4.570 -1.250) 6.095 10.029 ( -5.675 0.715 -6.550) 8.696 10.266 ( 11.888 -2.127 7.293) 14.108 10.750 ( -4.662 0.792 -0.239) 4.735 11.721 ( -0.022 -0.237 -0.563) 0.611 11.751 ( 0.083 -0.629 0.043) 0.636 14.865 ( 3.103 -0.148 2.309) 3.871 15.130 ( 2.711 2.899 -1.853) 4.380 17.135 ( 1.478 1.310 -1.079) 2.251 17.703 ( -3.018 -2.072 -0.351) 3.678 17.779 ( 0.296 0.197 0.894) 0.962 17.952 ( -0.754 -0.298 -0.167) 0.828 18.740 ( -8.795 -2.776 0.869) 9.263 18.773 ( -7.754 -0.481 -0.782) 7.808 22.750 ( 1.560 -0.962 -0.902) 2.043 23.136 ( -2.575 -3.912 0.884) 4.766 28.132 ( -0.346 0.274 -0.826) 0.937 28.414 ( -0.911 -1.344 -0.061) 1.625 28.623 ( -14.526 -2.970 0.288) 14.829 29.487 ( 14.763 2.095 7.251) 16.580 30.681 ( -13.121 -2.874 1.877) 13.563 30.827 ( 0.024 -1.681 0.834) 1.876 31.093 ( -0.545 -1.308 1.163) 1.833 31.309 ( 8.172 2.444 -7.878) 11.611 32.233 ( 0.956 9.930 11.003) 14.852 32.403 ( 7.174 2.452 -16.691) 18.332 34.257 ( -0.931 -2.238 2.915) 3.791 35.139 ( -6.549 -3.596 1.963) 7.725 45.667 ( -0.891 -0.421 3.408) 3.548 45.905 ( 4.380 3.668 -3.568) 6.736 89.088 ( -8.387 -0.643 -2.461) 8.765 89.393 ( 1.804 -0.680 3.206) 3.741 89.701 ( -6.522 -0.603 -0.840) 6.603 90.971 ( -4.306 3.467 1.761) 5.801 ======================= Grid point 324 (157/196) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.121 4.004 15.017) 15.685 2.384 ( 7.887 11.533 -2.541) 14.201 2.581 ( -1.404 7.777 0.461) 7.917 3.101 ( -0.729 5.391 2.402) 5.947 3.377 ( 1.561 6.023 2.318) 6.639 3.613 ( 4.741 -1.285 2.274) 5.413 3.831 ( 0.309 6.666 -4.904) 8.281 4.271 ( 1.458 3.816 -8.821) 9.721 4.479 ( -3.510 5.225 9.499) 11.395 4.604 ( -9.967 9.345 4.779) 14.475 4.670 ( -2.047 -1.370 0.553) 2.524 5.608 ( -14.430 8.438 4.267) 17.252 6.166 ( 3.667 -7.728 -2.454) 8.899 6.534 ( -1.507 -1.385 4.899) 5.309 6.773 ( -11.909 -1.605 -8.663) 14.814 7.031 ( -9.674 10.412 -4.170) 14.812 7.604 ( 6.361 0.361 0.908) 6.436 7.995 ( -7.677 1.544 2.833) 8.327 8.541 ( -2.186 -2.948 1.160) 3.849 8.701 ( 10.207 -5.275 -8.617) 14.362 9.464 ( -6.369 3.368 0.961) 7.269 9.949 ( 4.605 3.068 -2.693) 6.154 10.501 ( 9.042 -2.535 5.107) 10.690 10.618 ( -10.259 -0.774 -4.232) 11.125 11.740 ( 0.946 -2.081 -0.738) 2.402 11.781 ( 1.375 -2.210 -0.408) 2.634 14.953 ( 5.864 -0.010 2.392) 6.333 15.141 ( 5.076 2.510 -1.557) 5.873 17.161 ( 3.145 -0.608 0.048) 3.203 17.664 ( -3.831 -0.891 -0.588) 3.977 17.778 ( -0.265 0.448 0.042) 0.522 17.934 ( -1.180 -0.042 -1.017) 1.558 18.539 ( -15.343 2.268 0.410) 15.515 18.670 ( -13.171 -4.896 -0.782) 14.073 22.789 ( 3.179 -1.040 -0.776) 3.434 23.208 ( 0.274 -8.155 -0.081) 8.160 28.135 ( -0.097 -1.564 -0.047) 1.567 28.399 ( -3.723 0.394 3.961) 5.450 28.490 ( -7.759 -2.511 0.593) 8.177 29.734 ( 16.011 3.267 6.210) 17.481 30.512 ( -16.777 -4.239 1.042) 17.336 30.883 ( 2.439 -1.685 2.791) 4.072 31.117 ( 0.964 -1.163 -0.236) 1.529 31.326 ( 5.271 0.953 -8.898) 10.386 32.170 ( -2.868 9.671 9.889) 14.126 32.317 ( 4.145 6.890 -13.646) 15.839 34.295 ( 1.357 -2.144 0.773) 2.653 35.133 ( -6.129 -8.172 1.103) 10.275 45.670 ( -1.562 1.034 3.616) 4.073 45.873 ( 2.803 5.190 -4.057) 7.159 88.948 ( -9.569 -1.112 -1.649) 9.774 89.405 ( -9.448 -5.633 0.168) 11.001 89.617 ( -1.229 2.875 2.353) 3.913 90.803 ( -9.562 3.756 -6.403) 12.105 ======================= Grid point 325 (158/196) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -3.946 4.386 23.353) 24.086 2.294 ( 7.546 21.255 0.301) 22.557 2.462 ( -5.173 0.013 -2.132) 5.595 3.020 ( 1.248 8.186 -0.935) 8.333 3.298 ( -3.694 9.260 3.831) 10.680 3.609 ( -7.594 13.319 -5.167) 16.179 3.739 ( 3.780 -0.935 5.637) 6.851 4.151 ( -17.236 13.969 5.681) 22.902 4.197 ( 1.420 0.990 -7.065) 7.274 4.486 ( -6.108 6.490 6.856) 11.244 4.716 ( 1.529 -0.140 6.799) 6.970 5.369 ( -2.151 9.413 -1.074) 9.715 6.182 ( -4.071 2.533 -2.021) 5.203 6.469 ( -8.623 1.814 1.936) 9.022 6.735 ( -0.168 -10.590 -6.839) 12.607 6.836 ( 1.384 0.647 -5.632) 5.836 7.682 ( 7.886 3.077 -1.957) 8.688 7.866 ( -7.033 5.161 3.395) 9.361 8.544 ( -3.614 -1.991 3.242) 5.247 8.790 ( 3.932 -2.736 -10.025) 11.110 9.282 ( -10.948 3.019 2.044) 11.539 9.998 ( 4.823 4.809 1.309) 6.936 10.429 ( -10.338 -3.532 -6.708) 12.820 10.668 ( 2.958 -4.560 1.681) 5.689 11.783 ( 0.666 -3.034 0.029) 3.106 11.833 ( 1.463 -3.379 -1.298) 3.904 15.058 ( 4.883 0.808 4.232) 6.511 15.193 ( 8.266 2.591 -3.025) 9.175 17.244 ( 4.896 -2.389 0.537) 5.474 17.613 ( -4.280 -1.515 -0.583) 4.578 17.766 ( 1.263 1.762 -0.967) 2.374 17.909 ( -0.291 0.280 -1.697) 1.745 18.268 ( -16.820 2.059 0.713) 16.961 18.474 ( -18.974 -2.947 -1.188) 19.238 22.866 ( 5.075 -1.669 0.311) 5.351 23.312 ( -2.181 -10.151 -2.280) 10.630 28.164 ( -0.259 -2.189 2.566) 3.383 28.405 ( 0.281 1.882 11.693) 11.847 28.442 ( -1.054 -0.938 -2.627) 2.982 29.940 ( 8.663 1.285 0.443) 8.769 30.333 ( -12.560 -2.920 4.168) 13.552 30.972 ( 2.576 -1.827 4.460) 5.465 31.140 ( 0.981 -1.067 -2.314) 2.731 31.313 ( 2.582 -0.293 -9.028) 9.395 32.026 ( -9.251 12.910 13.327) 20.733 32.171 ( 4.930 8.142 -15.981) 18.601 34.396 ( 6.581 -4.339 0.900) 7.934 35.161 ( -8.120 -11.766 -0.853) 14.321 45.647 ( -2.357 2.379 4.113) 5.304 45.803 ( 1.840 5.803 -4.641) 7.655 88.813 ( -8.371 -0.816 -1.267) 8.506 89.249 ( -20.601 -8.593 -3.179) 22.547 89.631 ( 4.279 5.157 5.867) 8.907 90.502 ( -11.911 7.035 -11.961) 18.288 ======================= Grid point 326 (159/196) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -3.923 13.855 18.403) 23.367 2.118 ( -1.052 16.027 10.486) 19.182 2.346 ( -10.225 2.635 0.844) 10.593 2.759 ( -13.193 15.850 -9.719) 22.798 3.176 ( 6.221 5.566 2.473) 8.707 3.349 ( -5.861 11.627 6.774) 14.678 3.699 ( -9.789 13.134 4.949) 17.111 3.877 ( 3.688 6.961 -3.956) 8.815 4.208 ( 4.269 -1.862 -3.975) 6.124 4.363 ( -8.073 0.316 3.615) 8.851 4.797 ( 4.435 4.745 10.153) 12.053 5.252 ( 4.625 11.194 -6.185) 13.600 6.030 ( -3.263 7.616 -0.179) 8.287 6.340 ( -3.482 1.157 -7.734) 8.560 6.799 ( -3.674 -8.944 5.991) 11.374 6.963 ( 5.399 -12.984 -8.736) 16.554 7.714 ( 1.860 4.743 -0.934) 5.179 7.749 ( 1.625 5.156 1.997) 5.763 8.522 ( -5.467 0.421 5.709) 7.915 8.748 ( -1.543 -0.886 -11.288) 11.428 9.182 ( 0.068 2.799 7.998) 8.474 9.864 ( -11.519 4.152 -6.078) 13.671 10.412 ( 4.552 -4.039 -0.595) 6.114 10.713 ( -5.549 -5.189 -1.485) 7.741 11.836 ( 0.067 -3.477 1.357) 3.733 11.888 ( 1.240 -3.825 -1.991) 4.487 15.123 ( 1.052 2.380 6.745) 7.229 15.264 ( 8.596 2.124 -5.712) 10.537 17.370 ( 6.256 -3.507 0.207) 7.175 17.566 ( -5.846 -3.294 -0.324) 6.718 17.773 ( 6.174 3.362 -1.916) 7.287 17.903 ( 2.438 0.861 -1.868) 3.190 18.022 ( -14.154 0.966 1.877) 14.311 18.171 ( -20.543 1.606 -1.095) 20.635 22.987 ( 6.542 -2.282 2.015) 7.215 23.337 ( -7.719 -8.499 -4.398) 12.295 28.229 ( 1.441 -2.455 3.759) 4.715 28.391 ( -1.820 0.144 -2.196) 2.856 28.626 ( 17.794 0.688 15.524) 23.624 29.822 ( -19.543 -3.578 -8.633) 21.662 30.406 ( 11.437 2.085 10.001) 15.335 31.050 ( -0.453 -2.150 -0.268) 2.213 31.103 ( -4.608 0.962 0.062) 4.708 31.297 ( 2.776 -1.056 -7.185) 7.775 31.798 ( -8.100 13.185 11.201) 19.102 32.029 ( 4.785 8.787 -13.863) 17.096 34.617 ( 10.426 -6.871 3.968) 13.102 35.157 ( -11.798 -13.098 -4.140) 18.108 45.603 ( -2.958 3.213 4.766) 6.464 45.722 ( 1.791 5.183 -5.076) 7.472 88.719 ( -2.907 -0.235 -1.299) 3.193 88.990 ( -22.789 -6.136 -2.735) 23.758 89.668 ( 2.968 5.574 7.070) 9.480 90.134 ( -8.143 10.643 -12.304) 18.192 ======================= Grid point 327 (160/196) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -14.667 19.939 16.068) 29.511 1.939 ( 8.324 21.803 13.058) 26.743 2.208 ( -0.817 0.211 2.793) 2.918 2.433 ( 0.471 4.575 -14.256) 14.979 3.145 ( -9.789 11.420 14.806) 21.106 3.233 ( -0.968 7.034 3.497) 7.915 3.521 ( 7.239 6.598 3.827) 10.516 3.827 ( 6.012 5.119 -13.928) 16.010 4.278 ( 1.841 -1.451 -2.473) 3.407 4.308 ( 2.281 -1.733 -2.309) 3.679 4.848 ( 1.344 7.398 10.598) 12.995 5.083 ( 1.413 11.201 -11.389) 16.036 5.964 ( 2.493 4.173 6.913) 8.451 6.182 ( -4.402 2.988 -12.814) 13.875 6.934 ( -7.988 -11.953 11.473) 18.393 7.134 ( 2.996 -12.345 -5.850) 13.986 7.689 ( -1.274 3.409 0.704) 3.707 7.733 ( 5.720 4.129 -3.305) 7.790 8.478 ( -3.345 1.288 7.141) 7.990 8.657 ( 1.578 0.596 -8.905) 9.063 9.337 ( 14.067 2.329 11.058) 18.044 9.569 ( -12.318 1.711 -10.449) 16.244 10.576 ( 7.918 -3.232 2.286) 8.853 10.626 ( -9.755 -3.329 -2.214) 10.542 11.890 ( -0.592 -3.340 1.965) 3.920 11.934 ( 0.554 -3.283 -2.093) 3.933 15.129 ( -3.189 2.281 7.337) 8.319 15.286 ( 3.747 1.688 -7.127) 8.227 17.501 ( -3.541 -4.103 1.516) 5.627 17.524 ( 1.427 -4.128 -0.728) 4.427 17.815 ( -12.970 3.610 1.633) 13.562 17.852 ( 9.538 3.709 -0.634) 10.254 17.902 ( -4.341 2.332 0.434) 4.947 17.946 ( 6.782 1.478 -2.335) 7.324 23.147 ( 7.339 -2.670 4.472) 9.000 23.242 ( -10.735 -4.323 -4.193) 12.309 28.301 ( 1.189 -1.605 2.357) 3.090 28.350 ( -1.152 0.007 -2.200) 2.483 29.164 ( 34.884 -4.461 12.491) 37.321 29.432 ( -25.481 -1.977 -12.553) 28.474 30.645 ( 12.318 1.973 9.607) 15.746 30.847 ( -13.075 3.705 -8.889) 16.239 31.122 ( -3.004 -0.799 9.058) 9.577 31.301 ( 2.413 -0.735 -7.591) 7.999 31.684 ( 0.076 5.276 7.375) 9.068 31.888 ( 5.732 10.019 -12.080) 16.709 34.897 ( 4.199 -7.899 9.873) 13.323 35.078 ( -10.974 -9.458 -6.586) 15.914 45.553 ( -2.899 3.061 5.038) 6.569 45.660 ( 2.538 3.514 -4.835) 6.493 88.742 ( -8.102 -1.172 0.483) 8.200 88.753 ( 4.439 -0.650 -0.590) 4.525 89.670 ( -0.644 6.070 8.280) 10.287 89.862 ( -0.473 8.188 -9.759) 12.748 ======================= Grid point 330 (161/196) ======================= q-point: ( 0.20 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 3.166 0.000 -20.050) 20.298 2.288 ( 0.558 0.000 8.306) 8.324 2.865 ( 8.175 0.000 14.797) 16.905 3.017 ( 14.386 0.000 -10.452) 17.782 3.296 ( 8.953 0.000 8.642) 12.443 3.413 ( 18.006 0.000 -5.640) 18.868 3.780 ( 6.429 0.000 -2.080) 6.757 3.957 ( 5.897 0.000 -8.130) 10.044 4.314 ( -4.580 -0.000 -7.623) 8.893 4.701 ( 1.069 0.000 2.370) 2.599 4.829 ( 10.227 0.000 1.820) 10.388 4.937 ( 16.969 0.000 -14.513) 22.328 6.198 ( 15.814 0.000 6.116) 16.955 6.525 ( -15.368 -0.000 18.270) 23.874 7.150 ( -9.897 -0.000 -1.879) 10.074 7.161 ( 24.069 0.000 -5.141) 24.612 7.565 ( 10.834 0.000 -3.265) 11.316 7.818 ( 11.736 0.000 -0.957) 11.775 8.467 ( -17.377 -0.000 13.609) 22.072 8.814 ( -5.593 -0.000 -7.092) 9.032 9.606 ( 12.553 0.000 6.671) 14.216 9.796 ( -0.584 -0.000 -9.289) 9.307 10.398 ( -17.500 -0.000 -3.757) 17.899 10.706 ( 6.014 0.000 6.978) 9.212 11.836 ( -3.940 -0.000 2.051) 4.442 11.848 ( -2.600 -0.000 -2.013) 3.289 14.841 ( -4.603 -0.000 4.089) 6.157 15.233 ( 2.198 0.000 -0.854) 2.358 17.337 ( -1.536 -0.000 -5.680) 5.884 17.535 ( -0.701 -0.000 2.719) 2.808 17.768 ( 3.654 0.000 -0.519) 3.691 17.911 ( 0.220 0.000 1.495) 1.511 18.594 ( 7.881 0.000 -1.633) 8.049 18.828 ( 4.406 0.000 5.126) 6.760 22.748 ( -3.943 -0.000 -0.711) 4.007 23.392 ( -13.842 -0.000 5.337) 14.835 28.272 ( -1.747 -0.000 -1.050) 2.038 28.337 ( -0.043 -0.000 -0.864) 0.865 28.851 ( 19.403 0.000 4.504) 19.919 29.151 ( -22.326 -0.000 -4.071) 22.694 30.880 ( -9.378 -0.000 2.240) 9.641 30.913 ( 1.113 0.000 -8.642) 8.714 31.055 ( -7.410 -0.000 10.519) 12.867 31.266 ( 11.011 0.000 -9.121) 14.298 32.101 ( 18.175 0.000 -10.119) 20.802 32.382 ( 13.926 0.000 -2.032) 14.073 34.252 ( -9.004 -0.000 6.185) 10.924 35.316 ( -11.372 -0.000 9.566) 14.861 45.565 ( 0.413 0.000 3.773) 3.795 45.831 ( 7.853 0.000 -3.176) 8.471 89.200 ( 8.995 0.000 -1.223) 9.078 89.380 ( -6.002 -0.000 -5.510) 8.148 89.778 ( 0.883 0.000 2.066) 2.247 90.824 ( 14.878 0.000 26.297) 30.214 ======================= Grid point 331 (162/196) ======================= q-point: ( 0.30 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 4.295 4.215 -12.746) 14.096 2.363 ( 0.764 -1.544 8.347) 8.523 3.009 ( 8.820 9.496 3.393) 13.397 3.084 ( 11.269 5.420 -5.165) 13.529 3.444 ( 6.049 4.187 8.282) 11.077 3.621 ( 9.007 -1.318 -4.504) 10.156 3.931 ( 4.943 -3.155 -4.526) 7.408 4.017 ( 7.903 -8.122 -5.297) 12.509 4.256 ( 2.491 -4.209 -4.179) 6.432 4.716 ( -0.350 -0.388 -0.084) 0.529 4.878 ( 11.921 11.668 -4.782) 17.353 5.247 ( 14.502 -15.290 -4.476) 21.543 6.347 ( -8.565 9.213 16.101) 20.432 6.507 ( 3.205 -3.620 4.703) 6.745 7.057 ( -2.046 -4.199 1.182) 4.818 7.340 ( 2.769 1.988 -2.234) 4.075 7.696 ( 13.580 4.894 -6.878) 15.990 8.001 ( 5.817 -6.202 -1.564) 8.646 8.294 ( -13.248 -0.870 9.036) 16.060 8.626 ( -10.782 1.506 -3.699) 11.498 9.706 ( 4.445 5.212 -7.611) 10.239 9.885 ( 11.696 -3.839 5.170) 13.351 10.160 ( -10.562 -1.228 -2.441) 10.910 10.806 ( 1.859 0.843 4.473) 4.916 11.784 ( -2.968 1.055 -0.473) 3.185 11.790 ( -3.248 0.539 0.384) 3.315 14.829 ( -0.597 0.136 3.647) 3.698 15.237 ( 1.359 2.077 -1.458) 2.878 17.258 ( -0.089 3.325 -4.876) 5.903 17.567 ( -1.800 -4.482 1.561) 5.076 17.805 ( 2.788 1.819 0.581) 3.379 17.925 ( -0.776 -1.254 1.075) 1.825 18.654 ( -0.186 -1.893 -1.158) 2.227 18.871 ( -2.835 -0.284 2.647) 3.889 22.709 ( -1.159 -0.543 -0.375) 1.334 23.205 ( -12.814 0.425 1.866) 12.956 28.221 ( -1.659 1.981 -1.477) 2.976 28.342 ( -0.800 -2.075 -0.326) 2.248 28.813 ( -18.416 0.240 -0.644) 18.429 29.208 ( 16.604 -0.988 11.124) 20.010 30.745 ( -10.725 -1.763 -0.744) 10.894 30.855 ( 0.168 1.367 -5.267) 5.444 31.038 ( -5.570 -1.383 8.746) 10.461 31.332 ( 8.322 1.355 -9.315) 12.564 32.292 ( 15.279 -0.206 -7.693) 17.108 32.522 ( 10.256 4.491 -3.079) 11.612 34.194 ( -4.806 -0.159 6.263) 7.896 35.192 ( -12.313 -0.713 5.300) 13.424 45.608 ( 1.049 -0.631 3.468) 3.678 45.921 ( 7.786 0.735 -3.470) 8.556 89.229 ( -6.564 0.870 -4.327) 7.909 89.318 ( 3.615 -0.690 2.670) 4.546 89.767 ( -2.758 -0.001 -0.840) 2.883 91.094 ( 1.846 3.195 18.813) 19.172 ======================= Grid point 332 (163/196) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 5.358 8.406 -1.750) 10.121 2.475 ( 4.485 -1.061 4.781) 6.641 3.000 ( 12.451 14.769 -2.048) 19.425 3.154 ( 3.818 1.509 3.403) 5.332 3.498 ( 3.757 6.105 3.509) 7.981 3.635 ( 1.051 2.077 -3.604) 4.290 3.961 ( 3.443 1.310 -3.422) 5.028 4.184 ( 4.733 -8.051 -4.605) 10.413 4.451 ( 10.085 -6.566 -1.054) 12.080 4.709 ( -1.934 -1.472 -0.212) 2.440 4.850 ( 10.097 11.891 -5.515) 16.546 5.618 ( 11.769 -13.975 -1.419) 18.325 6.130 ( -18.276 10.343 15.884) 26.330 6.512 ( -5.555 -1.731 -3.946) 7.030 7.159 ( -8.197 4.814 -1.072) 9.566 7.280 ( 2.804 -8.132 7.835) 11.635 7.616 ( -4.238 8.861 -4.835) 10.948 8.050 ( -7.361 -4.982 -2.450) 9.220 8.356 ( 12.286 -3.579 -2.818) 13.104 8.486 ( -3.742 -0.257 0.258) 3.760 9.665 ( 5.705 6.351 -4.143) 9.489 9.994 ( -3.763 -3.240 -5.117) 7.130 10.214 ( 11.447 -1.561 8.053) 14.083 10.788 ( -5.406 1.678 1.464) 5.847 11.726 ( -1.850 0.464 -1.697) 2.553 11.752 ( -1.775 0.450 1.226) 2.204 14.876 ( 3.986 0.685 3.626) 5.432 15.214 ( 2.667 3.107 -2.474) 4.784 17.194 ( 1.289 3.050 -3.230) 4.626 17.602 ( -2.991 -5.017 0.429) 5.856 17.811 ( 0.580 2.186 1.293) 2.605 17.933 ( -0.966 -1.237 0.203) 1.583 18.622 ( -8.489 -4.267 -0.295) 9.506 18.790 ( -9.376 0.335 0.578) 9.399 22.720 ( 1.350 -1.131 -0.574) 1.853 23.063 ( -7.853 -1.884 0.547) 8.094 28.161 ( -1.417 1.801 -1.525) 2.753 28.356 ( -1.192 -2.745 -0.476) 3.030 28.579 ( -14.704 -0.898 3.699) 15.188 29.527 ( 14.154 1.096 12.856) 19.153 30.589 ( -12.843 -3.248 -2.954) 13.572 30.825 ( 1.790 0.805 -2.536) 3.206 31.049 ( -3.223 -1.756 6.388) 7.367 31.352 ( 5.754 0.988 -9.342) 11.016 32.434 ( 11.048 1.766 -5.387) 12.418 32.529 ( 6.319 9.440 -3.170) 11.794 34.200 ( -2.179 -1.740 5.362) 6.043 35.061 ( -11.160 -2.522 2.043) 11.623 45.658 ( 1.192 -0.258 3.468) 3.676 45.983 ( 6.556 2.291 -4.041) 8.035 89.076 ( -9.042 -0.355 -3.545) 9.719 89.380 ( -1.805 -0.205 5.551) 5.840 89.701 ( -3.176 0.293 -1.783) 3.654 91.102 ( -5.856 5.312 8.563) 11.655 ======================= Grid point 333 (164/196) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 7.291 8.454 7.834) 13.639 2.549 ( 4.228 4.342 1.213) 6.180 2.984 ( 12.510 16.583 -0.280) 20.775 3.202 ( 0.362 1.536 5.412) 5.638 3.464 ( 2.411 3.973 -1.851) 5.003 3.633 ( 2.018 1.777 3.460) 4.382 3.949 ( 1.307 2.843 -2.948) 4.299 4.300 ( 5.249 -3.072 -6.317) 8.769 4.576 ( -1.487 -3.092 -1.813) 3.880 4.667 ( -4.105 4.750 4.803) 7.904 4.811 ( 7.412 9.727 -2.587) 12.500 5.783 ( -19.898 5.849 9.909) 22.986 5.930 ( 6.929 -9.395 -2.835) 12.013 6.420 ( -8.952 -6.224 -2.486) 11.183 6.865 ( -15.362 5.975 1.860) 16.587 7.335 ( -3.759 12.041 -7.662) 14.759 7.559 ( 8.466 -3.498 4.902) 10.389 7.970 ( -6.371 -3.013 -0.911) 7.106 8.478 ( -0.970 -1.894 0.328) 2.153 8.581 ( 13.706 -3.777 -6.176) 15.501 9.598 ( -4.586 6.437 1.436) 8.033 9.985 ( 6.386 -0.428 -4.933) 8.081 10.447 ( 8.329 -1.744 6.155) 10.502 10.627 ( -13.054 1.326 -1.509) 13.208 11.700 ( -0.392 -0.947 -1.517) 1.831 11.744 ( -0.449 -0.747 0.431) 0.972 14.979 ( 7.833 1.662 3.698) 8.820 15.218 ( 5.970 3.154 -2.609) 7.239 17.175 ( 2.598 1.605 -1.757) 3.523 17.606 ( -4.265 -3.845 -0.203) 5.746 17.793 ( -0.751 1.347 0.866) 1.768 17.927 ( -1.075 -0.577 -0.874) 1.501 18.511 ( -14.965 -5.394 1.163) 15.949 18.601 ( -14.194 0.786 -0.856) 14.242 22.759 ( 2.617 -1.181 -0.918) 3.015 23.034 ( -3.056 -5.397 0.308) 6.210 28.120 ( -1.023 0.373 -0.448) 1.177 28.369 ( -1.356 -2.740 -0.127) 3.060 28.456 ( -8.174 -0.145 7.548) 11.127 29.792 ( 11.685 1.473 10.918) 16.060 30.401 ( -14.825 -4.011 -3.797) 15.820 30.852 ( 3.562 -0.684 -1.056) 3.777 31.076 ( -1.528 -1.682 4.413) 4.963 31.343 ( 3.337 0.326 -9.390) 9.971 32.445 ( 6.348 10.173 -8.652) 14.786 32.489 ( 4.421 6.719 1.849) 8.252 34.238 ( -0.774 -2.200 3.842) 4.495 34.963 ( -9.721 -5.186 0.575) 11.033 45.696 ( 0.838 0.916 3.790) 3.988 45.995 ( 4.633 4.075 -4.693) 7.752 88.923 ( -9.112 -0.832 -2.635) 9.522 89.307 ( -13.646 -2.004 2.645) 14.044 89.690 ( 3.788 2.397 2.529) 5.147 90.941 ( -9.272 6.064 -0.134) 11.080 ======================= Grid point 334 (165/196) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 3.788 7.707 15.309) 17.553 2.519 ( 3.266 6.408 -3.327) 7.925 2.913 ( 10.150 22.259 1.579) 24.515 3.196 ( 1.680 4.890 1.796) 5.473 3.475 ( 2.302 3.320 2.477) 4.739 3.709 ( 4.628 -1.182 6.844) 8.346 3.847 ( -6.646 6.923 -1.677) 9.742 4.301 ( 4.898 4.279 -11.342) 13.074 4.398 ( -17.609 5.763 7.118) 19.849 4.572 ( -9.253 -0.697 -0.809) 9.315 4.826 ( 11.102 10.020 5.153) 15.818 5.516 ( -11.182 3.883 3.566) 12.363 6.090 ( 0.169 -6.482 -0.819) 6.535 6.383 ( -7.398 -14.012 -9.787) 18.624 6.642 ( -5.034 9.108 7.433) 12.789 7.071 ( -0.650 12.515 -9.413) 15.673 7.718 ( 7.136 -0.211 -0.047) 7.139 7.916 ( -5.536 -0.899 1.043) 5.705 8.505 ( 1.517 -1.143 1.134) 2.212 8.737 ( 8.855 -1.281 -7.700) 11.805 9.403 ( -10.610 6.121 3.846) 12.839 10.100 ( 10.755 2.480 -0.501) 11.049 10.361 ( -17.423 -1.103 -5.223) 18.222 10.584 ( 1.883 -2.081 3.579) 4.548 11.713 ( 0.399 -2.294 -1.059) 2.558 11.759 ( -0.205 -2.258 -0.381) 2.299 15.107 ( 8.760 2.757 4.046) 10.035 15.270 ( 8.623 3.278 -2.602) 9.585 17.207 ( 4.103 -0.367 -0.722) 4.183 17.568 ( -5.892 -2.348 -0.187) 6.346 17.780 ( 0.344 0.018 -0.444) 0.562 17.912 ( 0.199 -0.125 -1.597) 1.615 18.306 ( -18.193 -0.156 0.902) 18.216 18.381 ( -16.178 -3.239 0.169) 16.500 22.820 ( 3.886 -1.783 -0.371) 4.291 23.086 ( -2.100 -7.523 -0.382) 7.820 28.120 ( -0.053 -1.030 1.993) 2.244 28.388 ( -1.079 -3.046 -2.006) 3.804 28.450 ( 0.116 1.587 12.698) 12.797 29.943 ( -1.177 -0.642 -1.479) 1.996 30.256 ( -5.391 -2.991 5.237) 8.089 30.922 ( 3.782 -2.077 -0.805) 4.390 31.106 ( -1.053 -1.440 2.784) 3.307 31.309 ( 1.483 -0.127 -8.830) 8.955 32.334 ( 2.128 11.789 -1.088) 12.029 32.425 ( 3.243 9.977 -5.114) 11.671 34.303 ( 2.488 -3.004 2.902) 4.862 34.906 ( -9.861 -7.960 0.051) 12.672 45.712 ( 0.064 2.484 4.332) 4.995 45.951 ( 2.718 5.446 -5.263) 8.046 88.793 ( -7.162 -0.767 -2.041) 7.486 89.106 ( -17.821 -3.000 0.475) 18.078 89.757 ( 5.922 4.393 6.084) 9.560 90.685 ( -10.113 7.042 -6.498) 13.931 ======================= Grid point 335 (166/196) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -4.138 7.909 17.769) 19.885 2.448 ( 0.931 6.656 -3.599) 7.624 2.771 ( 10.979 24.978 2.571) 27.405 3.156 ( 1.714 10.688 -2.968) 11.224 3.387 ( -6.134 11.556 5.216) 14.084 3.568 ( -9.603 7.012 1.195) 11.951 3.873 ( 6.584 0.950 6.979) 9.641 4.148 ( -8.912 7.598 4.237) 12.454 4.237 ( 8.452 6.582 -14.200) 17.787 4.378 ( -14.702 -0.156 2.222) 14.869 4.935 ( 9.859 7.363 10.018) 15.867 5.408 ( -2.428 1.376 -0.277) 2.805 6.092 ( -6.866 -3.091 1.982) 7.786 6.355 ( -3.921 -4.798 -9.766) 11.566 6.624 ( 2.294 -2.705 2.423) 4.295 6.873 ( 1.779 8.756 -8.930) 12.633 7.787 ( 2.438 1.132 -0.667) 2.770 7.836 ( -3.652 1.519 1.052) 4.093 8.551 ( 1.481 1.570 3.263) 3.912 8.751 ( 1.756 1.465 -8.692) 8.988 9.278 ( 0.385 4.551 7.216) 8.540 9.966 ( -17.210 3.325 -6.492) 18.692 10.320 ( 8.755 -2.448 0.190) 9.093 10.609 ( -4.712 -2.790 0.768) 5.530 11.749 ( 0.062 -3.094 0.235) 3.104 11.790 ( 0.179 -3.569 -1.355) 3.822 15.206 ( 4.617 3.885 5.498) 8.163 15.334 ( 8.169 3.282 -4.244) 9.773 17.296 ( 5.899 -2.188 -0.243) 6.296 17.493 ( -7.814 -2.400 0.249) 8.178 17.807 ( 4.416 -0.364 -1.741) 4.761 17.927 ( 4.145 0.683 -1.642) 4.511 18.045 ( -15.792 0.662 1.057) 15.842 18.175 ( -15.896 -1.152 1.090) 15.975 22.919 ( 5.127 -2.878 0.912) 5.950 23.130 ( -4.515 -7.411 -1.441) 8.797 28.173 ( 1.458 -1.906 3.829) 4.519 28.372 ( -2.050 -1.732 -3.117) 4.114 28.634 ( 11.929 0.214 16.365) 20.252 29.735 ( -17.738 -2.957 -11.922) 21.576 30.412 ( 8.265 -1.483 12.388) 14.965 30.982 ( 0.961 -3.144 -4.613) 5.664 31.111 ( -2.926 -0.240 3.764) 4.773 31.275 ( 1.861 -0.574 -6.971) 7.238 32.158 ( -8.145 14.269 9.609) 19.034 32.301 ( 10.392 11.574 -16.172) 22.438 34.452 ( 6.828 -5.675 3.964) 9.724 34.859 ( -11.485 -9.669 -0.927) 15.042 45.698 ( -0.946 3.954 4.960) 6.413 45.868 ( 1.518 5.891 -5.620) 8.282 88.712 ( -2.064 -0.280 -1.615) 2.636 88.884 ( -16.076 -2.355 0.338) 16.251 89.828 ( 5.422 6.340 7.995) 11.555 90.379 ( -8.486 8.547 -10.322) 15.862 ======================= Grid point 336 (167/196) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -5.785 5.615 15.973) 17.892 2.318 ( -3.789 12.238 7.097) 14.645 2.653 ( 8.721 20.952 -3.185) 22.917 2.771 ( 0.871 25.553 -8.859) 27.059 3.353 ( 3.472 3.967 4.597) 6.994 3.411 ( -5.502 6.941 2.725) 9.267 3.793 ( -7.566 14.133 7.602) 17.742 4.029 ( 8.547 8.266 -6.728) 13.662 4.241 ( -7.349 -2.097 -0.751) 7.679 4.277 ( 11.413 -0.339 -5.683) 12.755 5.054 ( 6.348 7.643 12.714) 16.136 5.294 ( -5.808 4.619 -8.337) 11.161 6.057 ( -4.044 0.010 8.134) 9.084 6.276 ( 0.084 2.237 -8.631) 8.917 6.704 ( -1.871 -3.895 1.200) 4.485 6.820 ( 2.544 -7.247 -6.677) 10.177 7.743 ( -4.411 1.245 3.849) 5.985 7.825 ( 3.457 2.465 -3.033) 5.218 8.537 ( -2.361 3.338 5.272) 6.672 8.684 ( 1.992 1.604 -7.812) 8.220 9.417 ( 15.406 3.690 9.291) 18.365 9.621 ( -14.305 2.224 -9.808) 17.486 10.499 ( 8.608 -2.228 1.931) 9.099 10.537 ( -8.367 -3.141 -1.396) 9.046 11.795 ( -0.751 -3.721 1.566) 4.106 11.834 ( 0.587 -4.114 -1.961) 4.595 15.212 ( -2.772 4.061 6.338) 8.022 15.347 ( 3.614 3.010 -6.128) 7.725 17.408 ( -6.748 -3.083 1.511) 7.571 17.428 ( 5.134 -3.181 -0.420) 6.054 17.855 ( -10.208 0.327 2.080) 10.423 17.903 ( 9.398 0.062 -1.848) 9.578 17.963 ( -7.975 2.345 1.468) 8.442 18.009 ( 8.300 1.983 -2.328) 8.845 23.058 ( 5.439 -4.099 2.701) 7.327 23.111 ( -6.964 -5.456 -2.151) 9.104 28.255 ( 1.910 -1.925 3.887) 4.739 28.335 ( -1.818 -1.201 -3.527) 4.145 29.050 ( 24.089 -4.014 16.141) 29.273 29.379 ( -20.159 -1.862 -14.803) 25.079 30.650 ( 7.554 -1.776 11.975) 14.269 30.901 ( -7.095 -0.110 -11.221) 13.276 31.108 ( -4.000 -0.122 9.094) 9.935 31.277 ( 2.833 -1.030 -6.667) 7.317 31.919 ( -7.905 12.438 9.530) 17.550 32.199 ( 13.178 13.248 -17.141) 25.357 34.668 ( -3.042 -8.755 9.358) 13.171 34.821 ( -1.922 -9.552 -4.364) 10.676 45.658 ( -1.891 4.815 5.402) 7.480 45.775 ( 1.559 5.203 -5.521) 7.745 88.717 ( -7.675 -0.680 1.052) 7.776 88.739 ( 6.315 -0.419 -0.989) 6.406 89.863 ( 2.087 8.345 9.851) 13.078 90.091 ( -2.770 8.891 -11.598) 14.874 ======================= Grid point 337 (168/196) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -6.426 19.557 9.702) 22.758 2.206 ( 1.600 2.376 13.687) 13.984 2.443 ( 5.706 6.439 -12.513) 15.185 2.708 ( 27.451 24.220 -3.370) 36.764 3.222 ( -8.889 5.437 -2.292) 10.669 3.254 ( -8.846 12.019 11.604) 18.904 3.737 ( 7.788 3.200 3.991) 9.318 3.985 ( 12.943 12.395 -12.396) 21.790 4.194 ( -1.866 -4.255 -2.489) 5.271 4.433 ( 12.540 0.959 -3.119) 12.957 4.990 ( -9.160 7.913 -2.620) 12.385 5.114 ( 1.482 8.628 0.757) 8.787 6.095 ( 1.227 2.193 5.409) 5.964 6.164 ( 3.361 7.311 -3.489) 8.771 6.753 ( -7.512 -8.729 9.294) 14.799 6.956 ( 2.588 -13.308 -6.478) 15.025 7.662 ( -6.893 2.798 2.402) 7.818 7.822 ( 3.541 3.671 -2.980) 5.908 8.521 ( -2.036 0.594 7.828) 8.110 8.689 ( 8.115 -0.118 -7.779) 11.242 9.376 ( -4.444 2.040 -9.874) 11.018 9.710 ( 19.044 3.767 7.899) 20.959 10.419 ( -9.111 -3.197 -0.840) 9.692 10.676 ( 6.389 -3.449 1.780) 7.475 11.840 ( -1.602 -3.956 1.763) 4.618 11.877 ( 0.091 -3.646 -1.693) 4.021 15.126 ( -8.314 2.710 5.940) 10.571 15.280 ( -0.934 2.277 -6.621) 7.063 17.353 ( -6.319 -3.626 1.609) 7.461 17.558 ( 5.000 -3.050 0.415) 5.871 17.736 ( -4.926 3.322 1.229) 6.067 17.852 ( -3.019 0.950 2.760) 4.199 18.067 ( 13.226 0.327 -2.191) 13.410 18.171 ( 18.198 3.482 -0.958) 18.552 23.032 ( -8.092 -3.196 -2.050) 8.939 23.230 ( 5.186 -5.240 5.231) 9.040 28.296 ( -1.531 -1.561 -2.137) 3.057 28.333 ( 1.836 -0.683 2.250) 2.983 28.985 ( -16.728 0.545 -17.316) 24.083 29.640 ( 28.398 -8.041 8.598) 30.741 30.609 ( -12.747 3.700 -8.013) 15.505 30.873 ( 5.070 -1.454 8.678) 10.155 31.111 ( -5.652 -1.001 9.067) 10.731 31.263 ( 0.707 -0.198 -7.184) 7.222 31.799 ( -0.952 5.410 7.681) 9.443 32.104 ( 15.160 14.181 -17.502) 27.152 34.620 ( -18.185 -8.874 4.731) 20.781 35.051 ( 9.117 -8.236 4.688) 13.150 45.604 ( -2.209 4.565 5.129) 7.213 45.712 ( 2.773 3.690 -4.610) 6.524 88.699 ( 4.365 -0.613 0.510) 4.437 88.941 ( 17.480 -2.969 1.883) 17.830 89.771 ( -5.200 7.410 1.651) 9.202 89.968 ( 7.700 9.746 -0.852) 12.449 ======================= Grid point 341 (169/196) ======================= q-point: ( 0.30 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 11.250 0.000 -5.668) 12.597 2.422 ( 0.624 0.000 10.428) 10.446 3.131 ( -0.706 -0.000 5.895) 5.937 3.282 ( 15.292 0.000 -14.662) 21.185 3.573 ( -2.677 -0.000 13.072) 13.343 3.723 ( 7.532 0.000 -7.326) 10.508 3.966 ( 5.748 0.000 -3.029) 6.498 4.035 ( 6.607 0.000 -3.030) 7.269 4.296 ( 10.731 0.000 0.202) 10.733 4.678 ( -3.361 -0.000 -1.629) 3.735 5.235 ( 13.989 0.000 -8.613) 16.428 5.240 ( 16.983 0.000 -1.706) 17.069 6.304 ( -22.371 -0.000 20.643) 30.440 6.478 ( -8.728 -0.000 -5.107) 10.112 7.133 ( 12.500 0.000 8.206) 14.952 7.228 ( -15.832 -0.000 -0.530) 15.840 7.797 ( 2.208 0.000 -5.555) 5.978 7.921 ( -7.654 -0.000 -4.004) 8.638 8.311 ( 11.767 0.000 -2.195) 11.970 8.487 ( -5.831 -0.000 0.102) 5.832 9.784 ( 9.916 0.000 -8.527) 13.078 9.914 ( -6.180 -0.000 -0.894) 6.244 10.194 ( 10.877 0.000 8.267) 13.662 10.812 ( -5.538 -0.000 1.873) 5.846 11.734 ( -2.608 -0.000 -1.962) 3.264 11.760 ( -2.585 -0.000 1.523) 3.000 14.887 ( 4.479 0.000 4.015) 6.015 15.259 ( 2.174 0.000 -2.471) 3.291 17.251 ( 1.444 0.000 -5.375) 5.565 17.515 ( -2.966 -0.000 1.946) 3.548 17.863 ( 2.221 0.000 0.497) 2.276 17.897 ( -2.468 -0.000 1.421) 2.848 18.561 ( -9.238 -0.000 -0.676) 9.263 18.793 ( -9.051 -0.000 0.877) 9.093 22.703 ( 1.296 0.000 -0.364) 1.346 23.039 ( -9.775 -0.000 0.316) 9.781 28.197 ( -1.720 -0.000 -2.173) 2.771 28.308 ( -1.548 -0.000 -0.137) 1.554 28.568 ( -14.575 -0.000 4.634) 15.294 29.542 ( 13.617 0.000 14.960) 20.230 30.545 ( -11.909 -0.000 -4.508) 12.734 30.840 ( 2.304 0.000 -5.932) 6.364 31.023 ( -4.690 -0.000 10.274) 11.293 31.364 ( 4.808 0.000 -9.619) 10.754 32.451 ( 14.193 0.000 -9.193) 16.910 32.669 ( 6.297 0.000 -0.552) 6.321 34.178 ( -2.887 -0.000 5.869) 6.540 35.024 ( -12.671 -0.000 2.534) 12.922 45.654 ( 2.065 0.000 3.405) 3.982 46.014 ( 7.290 0.000 -4.126) 8.377 89.071 ( -9.368 -0.000 -3.876) 10.138 89.379 ( -2.770 -0.000 6.489) 7.056 89.706 ( -1.822 -0.000 -2.318) 2.948 91.179 ( -7.483 -0.000 11.295) 13.549 ======================= Grid point 342 (170/196) ======================= q-point: ( 0.40 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 10.781 9.784 5.429) 15.538 2.577 ( 7.780 -3.360 6.048) 10.412 3.141 ( -2.129 -0.790 4.229) 4.801 3.317 ( 7.185 6.007 -7.577) 12.047 3.621 ( -3.996 -2.379 9.167) 10.279 3.697 ( 8.737 10.295 -7.930) 15.659 4.004 ( 3.746 1.937 -2.107) 4.714 4.173 ( 7.149 -5.374 -1.698) 9.103 4.502 ( 6.216 -2.588 0.389) 6.745 4.609 ( -5.482 -3.596 -0.139) 6.558 5.210 ( 14.031 16.628 -6.259) 22.640 5.622 ( 14.350 -12.571 -4.158) 19.525 5.974 ( -30.010 5.727 13.828) 33.535 6.261 ( -18.290 -5.350 -3.591) 19.391 6.996 ( -11.275 3.409 3.900) 12.408 7.433 ( 13.341 -3.170 7.011) 15.401 7.636 ( -6.341 9.051 -6.153) 12.649 7.855 ( -2.665 -5.759 -4.986) 8.070 8.450 ( -0.331 -0.305 0.698) 0.831 8.513 ( 15.881 -1.522 -5.707) 16.943 9.755 ( -6.561 5.004 1.191) 8.337 9.936 ( 10.140 -2.820 -5.322) 11.794 10.415 ( 8.937 -0.624 6.750) 11.217 10.663 ( -14.113 0.944 -0.431) 14.151 11.688 ( -1.558 -0.117 -1.667) 2.284 11.736 ( -1.807 -0.070 0.784) 1.971 15.017 ( 9.162 0.947 4.376) 10.197 15.283 ( 5.611 1.514 -3.271) 6.669 17.230 ( 2.589 2.097 -3.980) 5.190 17.499 ( -4.031 -3.383 1.034) 5.363 17.845 ( -1.653 2.275 1.160) 3.042 17.903 ( -0.318 -1.276 -0.160) 1.325 18.389 ( -15.438 -3.078 0.536) 15.751 18.618 ( -14.035 0.333 -0.517) 14.049 22.737 ( 2.878 -0.497 -0.693) 3.002 22.938 ( -5.272 -1.981 0.022) 5.632 28.146 ( -1.644 1.227 -1.317) 2.438 28.296 ( -1.820 -2.234 -0.403) 2.910 28.458 ( -7.165 0.099 9.479) 11.882 29.816 ( 8.990 0.416 13.695) 16.387 30.326 ( -12.876 -1.592 -6.524) 14.522 30.843 ( 3.764 -0.116 -5.397) 6.581 31.043 ( -3.116 -0.755 9.218) 9.760 31.346 ( 2.477 0.029 -9.475) 9.794 32.567 ( 11.583 1.848 -9.664) 15.198 32.699 ( 2.558 5.583 1.460) 6.313 34.195 ( -1.338 -0.935 5.442) 5.682 34.868 ( -11.146 -2.097 0.378) 11.348 45.713 ( 2.415 0.363 3.739) 4.466 46.069 ( 5.586 1.542 -4.914) 7.598 88.908 ( -8.912 -0.307 -3.040) 9.421 89.284 ( -14.320 -0.238 3.974) 14.863 89.732 ( 5.533 0.843 2.323) 6.060 91.066 ( -11.185 2.913 3.042) 11.951 ======================= Grid point 343 (171/196) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 9.264 11.012 9.537) 17.264 2.719 ( 7.340 7.241 2.649) 10.645 3.204 ( 2.385 -4.613 4.397) 6.805 3.283 ( 2.258 5.080 1.187) 5.684 3.593 ( 0.477 4.255 -0.100) 4.283 3.706 ( 7.476 5.643 0.131) 9.367 4.002 ( 2.919 4.186 -2.248) 5.576 4.304 ( 3.479 -3.467 -2.491) 5.507 4.431 ( -10.723 -0.174 -2.744) 11.070 4.590 ( -11.450 -0.099 6.302) 13.070 5.137 ( 9.703 13.662 -4.199) 17.275 5.634 ( -12.899 5.258 6.186) 15.241 5.907 ( 9.384 -8.434 -6.083) 14.007 6.052 ( -17.810 -10.538 -2.709) 20.871 6.863 ( -4.527 7.128 8.358) 11.881 7.362 ( -4.100 9.165 -9.673) 13.942 7.681 ( 6.630 -2.276 5.080) 8.657 7.858 ( -0.586 -2.782 -3.506) 4.514 8.486 ( 4.385 -0.335 0.403) 4.416 8.713 ( 14.049 -0.752 -6.786) 15.620 9.563 ( -11.688 5.508 4.215) 13.591 10.109 ( 12.668 -1.157 -2.968) 13.062 10.378 ( -19.211 1.648 -2.519) 19.446 10.552 ( 2.341 -0.606 4.463) 5.076 11.671 ( -0.281 -1.006 -1.259) 1.636 11.720 ( -1.605 -0.908 0.139) 1.849 15.180 ( 10.627 2.507 4.251) 11.717 15.345 ( 8.880 2.297 -3.147) 9.697 17.226 ( 3.445 1.707 -2.257) 4.458 17.485 ( -5.022 -3.809 0.361) 6.313 17.798 ( -1.599 1.577 0.141) 2.250 17.903 ( 0.098 -0.460 -1.063) 1.162 18.209 ( -16.688 -5.122 1.919) 17.561 18.373 ( -16.165 0.768 -1.062) 16.218 22.784 ( 3.175 -0.855 -0.781) 3.379 22.929 ( -2.183 -4.613 0.033) 5.104 28.115 ( -0.411 0.583 1.049) 1.269 28.302 ( -1.578 -3.318 -1.122) 3.842 28.482 ( 0.188 0.892 13.150) 13.181 29.924 ( -5.936 -0.638 -3.940) 7.153 30.190 ( -1.887 -1.984 7.093) 7.604 30.873 ( 4.074 -1.551 -6.029) 7.440 31.076 ( -2.382 -0.803 7.737) 8.135 31.305 ( 1.098 -0.140 -8.677) 8.748 32.595 ( 10.275 6.843 -12.390) 17.490 32.646 ( -1.215 7.614 5.277) 9.343 34.241 ( 0.381 -1.710 5.008) 5.305 34.752 ( -9.675 -4.177 -0.671) 10.559 45.765 ( 1.990 1.562 4.366) 5.046 46.066 ( 3.303 3.280 -5.592) 7.276 88.777 ( -6.276 -0.400 -2.363) 6.718 89.068 ( -16.642 -0.474 1.798) 16.746 89.846 ( 7.466 2.413 6.283) 10.052 90.842 ( -11.393 4.775 -3.412) 12.816 ======================= Grid point 344 (172/196) ======================= q-point: (-0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 2.835 11.672 11.480) 16.615 2.673 ( 5.116 11.232 -2.970) 12.695 3.245 ( -2.222 7.476 8.586) 11.599 3.315 ( 7.971 4.690 -1.868) 9.435 3.619 ( 5.251 4.446 4.185) 8.053 3.738 ( 2.911 0.058 0.028) 2.912 3.903 ( -3.232 11.182 2.083) 11.825 4.217 ( -12.636 -3.437 0.047) 13.095 4.317 ( -3.950 1.063 -0.520) 4.124 4.436 ( -3.972 3.090 -4.309) 6.625 5.158 ( 12.380 7.884 0.795) 14.699 5.450 ( -9.824 4.559 4.784) 11.840 5.976 ( -6.851 -6.454 1.068) 9.473 6.058 ( 2.952 -11.204 -12.922) 17.356 6.781 ( -2.296 8.810 10.305) 13.750 7.136 ( -0.322 9.288 -10.664) 14.145 7.783 ( -0.021 -1.216 3.232) 3.454 7.845 ( 0.043 -0.234 -2.787) 2.797 8.585 ( 7.141 0.929 1.093) 7.283 8.808 ( 5.310 2.350 -7.282) 9.314 9.404 ( -2.312 4.918 6.732) 8.652 10.014 ( -20.841 0.463 -5.610) 21.588 10.304 ( 12.524 0.912 -0.060) 12.557 10.568 ( -4.276 -0.613 2.095) 4.801 11.685 ( 0.333 -1.881 -0.560) 1.990 11.716 ( -1.122 -2.119 -0.494) 2.448 15.308 ( 6.729 3.761 4.343) 8.848 15.420 ( 7.899 3.102 -3.374) 9.132 17.265 ( 4.930 -0.102 -0.860) 5.005 17.436 ( -7.439 -2.262 0.660) 7.804 17.786 ( 2.570 -0.602 -1.406) 2.990 17.926 ( 3.372 -0.767 -0.922) 3.579 18.033 ( -15.301 -2.145 1.100) 15.490 18.141 ( -13.018 -0.671 0.406) 13.041 22.851 ( 3.592 -2.276 0.020) 4.252 22.964 ( -2.431 -5.500 -0.481) 6.033 28.137 ( 1.156 -0.758 2.976) 3.281 28.306 ( -1.814 -3.145 -2.628) 4.482 28.644 ( 8.367 0.553 16.849) 18.820 29.676 ( -15.451 -1.645 -14.117) 20.993 30.355 ( 5.421 -2.441 13.708) 14.942 30.899 ( 1.962 -3.074 -8.947) 9.661 31.100 ( -2.883 -0.470 7.148) 7.721 31.266 ( 1.370 -0.237 -6.874) 7.014 32.498 ( -4.460 11.716 5.305) 13.613 32.571 ( 9.759 8.884 -12.281) 18.028 34.336 ( 3.267 -3.357 5.290) 7.065 34.667 ( -9.246 -5.460 -1.195) 10.804 45.792 ( 0.888 3.182 5.085) 6.064 46.005 ( 1.263 4.578 -5.985) 7.640 88.707 ( -1.124 -0.114 -1.780) 2.108 88.853 ( -13.612 -0.400 1.239) 13.674 89.971 ( 7.710 4.577 8.376) 12.270 90.569 ( -9.898 6.115 -7.851) 14.035 ======================= Grid point 345 (173/196) ======================= q-point: (-0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -3.901 11.663 11.665) 16.950 2.583 ( 5.659 10.125 -5.947) 13.035 3.116 ( -6.417 12.998 9.274) 17.209 3.346 ( 9.679 10.775 -9.614) 17.384 3.490 ( -6.380 11.649 8.159) 15.588 3.628 ( 4.670 12.771 -3.842) 14.130 4.024 ( 8.575 -6.918 6.828) 12.962 4.142 ( -15.455 2.913 6.607) 17.059 4.150 ( -1.736 1.163 -3.624) 4.183 4.366 ( 9.743 5.928 -11.084) 15.904 5.237 ( 4.038 6.789 7.024) 10.570 5.344 ( -2.661 0.391 -0.237) 2.700 5.949 ( -7.409 -5.220 4.453) 10.098 6.152 ( 3.703 -10.525 -12.146) 16.493 6.722 ( -1.176 7.531 9.484) 12.168 6.947 ( 1.436 9.626 -10.916) 14.625 7.755 ( -6.597 -0.173 5.475) 8.574 7.862 ( 4.388 0.689 -3.753) 5.815 8.634 ( -0.504 3.761 3.265) 5.006 8.736 ( -0.368 2.282 -5.972) 6.404 9.513 ( 15.783 3.647 7.137) 17.702 9.677 ( -13.962 2.051 -8.199) 16.321 10.472 ( 10.119 0.006 0.745) 10.147 10.481 ( -9.218 -1.076 -0.061) 9.281 11.712 ( -0.846 -2.616 0.897) 2.892 11.739 ( 0.717 -3.108 -1.489) 3.520 15.325 ( -2.381 4.452 5.068) 7.154 15.433 ( 3.156 3.447 -4.889) 6.763 17.344 ( -6.928 -1.986 1.663) 7.397 17.366 ( 5.383 -1.649 -0.395) 5.644 17.852 ( -10.010 -0.619 1.006) 10.080 17.882 ( 9.443 -1.303 -1.586) 9.664 17.995 ( -8.551 0.064 1.146) 8.627 18.023 ( 9.018 -0.655 -1.192) 9.120 22.949 ( 2.413 -4.194 1.411) 5.041 22.978 ( -2.930 -4.791 -1.265) 5.756 28.206 ( 1.972 -1.811 3.948) 4.770 28.288 ( -1.899 -2.347 -3.728) 4.797 28.971 ( 16.727 -2.073 18.259) 24.850 29.343 ( -15.873 -0.993 -16.440) 22.874 30.574 ( 4.819 -3.623 13.123) 14.442 30.856 ( -2.594 -2.779 -12.574) 13.136 31.107 ( -4.061 -0.087 8.015) 8.985 31.256 ( 2.496 -0.589 -5.800) 6.341 32.267 ( -10.052 13.780 8.235) 18.941 32.519 ( 13.850 11.152 -15.695) 23.718 34.485 ( -2.006 -5.450 8.383) 10.198 34.615 ( -1.527 -6.456 -3.333) 7.424 45.783 ( -0.632 4.699 5.670) 7.391 45.909 ( 0.312 4.938 -5.970) 7.754 88.708 ( -6.785 -0.081 1.199) 6.890 88.733 ( 6.245 -0.014 -1.162) 6.352 90.069 ( 5.363 7.400 10.171) 13.674 90.293 ( -5.382 6.728 -10.727) 13.758 ======================= Grid point 346 (174/196) ======================= q-point: (-0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -1.873 7.613 10.153) 12.828 2.505 ( 6.391 9.042 -6.317) 12.748 2.777 ( -10.939 21.583 -0.058) 24.196 3.206 ( 5.106 11.674 -6.928) 14.504 3.410 ( -1.519 8.082 3.277) 8.853 3.566 ( 8.272 12.873 1.198) 15.348 3.901 ( -6.682 9.987 7.845) 14.350 4.083 ( -4.269 -4.209 -4.668) 7.598 4.252 ( 12.948 5.192 -1.741) 14.059 4.428 ( 11.979 0.132 -4.008) 12.632 5.132 ( -11.646 3.037 -7.955) 14.427 5.321 ( 6.326 7.960 6.488) 12.061 6.033 ( -3.123 -7.579 13.632) 15.907 6.253 ( 7.081 -4.344 -8.532) 11.908 6.696 ( -0.852 3.604 6.256) 7.270 6.784 ( 1.151 5.070 -9.046) 10.434 7.702 ( -6.299 0.340 5.248) 8.206 7.887 ( 3.717 1.509 -1.562) 4.305 8.555 ( -5.699 1.855 3.834) 7.114 8.699 ( 2.692 0.875 -4.790) 5.564 9.452 ( -2.140 3.907 -9.033) 10.072 9.815 ( 21.237 3.980 7.404) 22.840 10.340 ( -11.016 -2.532 -1.267) 11.374 10.612 ( 6.465 -1.411 0.344) 6.626 11.741 ( -1.373 -3.465 1.092) 3.884 11.785 ( 0.890 -3.265 -1.037) 3.539 15.213 ( -9.104 3.928 4.450) 10.868 15.353 ( -2.566 3.211 -5.410) 6.794 17.275 ( -6.285 -2.427 1.530) 6.909 17.491 ( 6.191 -2.230 0.499) 6.599 17.771 ( -2.968 -0.081 1.423) 3.292 17.887 ( -4.911 1.297 1.851) 5.407 18.072 ( 14.549 -0.003 -1.321) 14.609 18.205 ( 15.576 -0.764 -1.623) 15.679 22.941 ( -5.927 -3.735 -1.049) 7.084 23.087 ( 3.635 -5.690 2.359) 7.152 28.249 ( -1.971 -2.000 -2.528) 3.779 28.301 ( 2.411 -1.804 2.562) 3.953 28.999 ( -12.831 0.560 -17.332) 21.571 29.453 ( 22.782 -6.146 14.820) 27.864 30.668 ( -8.559 0.479 -7.851) 11.624 30.797 ( 2.661 -4.029 5.972) 7.680 31.100 ( -5.301 0.007 9.005) 10.449 31.254 ( 1.686 -0.478 -6.270) 6.510 32.018 ( -8.249 11.479 9.015) 16.765 32.461 ( 14.936 12.760 -17.506) 26.312 34.445 ( -13.006 -4.623 5.183) 14.744 34.819 ( 9.791 -9.150 2.148) 13.572 45.737 ( -2.137 5.506 5.226) 7.886 45.817 ( 1.002 4.246 -4.823) 6.504 88.683 ( 2.363 -0.523 0.996) 2.617 88.888 ( 14.117 -1.182 -0.032) 14.166 89.971 ( -7.250 7.723 -2.180) 10.815 90.210 ( 9.905 8.753 2.252) 13.408 ======================= Grid point 347 (175/196) ======================= q-point: (-0.10 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -5.097 12.394 6.244) 14.784 2.418 ( 5.419 9.616 2.809) 11.390 2.491 ( 4.107 2.291 -14.857) 15.584 3.031 ( -5.166 8.208 -5.082) 10.949 3.298 ( -3.524 10.240 4.550) 11.747 3.485 ( 9.610 17.823 5.059) 20.871 3.853 ( 3.386 1.098 -3.528) 5.011 4.105 ( 0.582 -5.802 0.795) 5.885 4.305 ( 15.843 12.726 -5.965) 21.178 4.577 ( 6.372 -0.557 -1.145) 6.498 4.846 ( -9.489 3.318 -6.791) 12.131 5.347 ( 8.903 12.243 1.566) 15.219 6.152 ( -0.639 -1.935 4.732) 5.152 6.341 ( 8.317 4.788 4.592) 10.639 6.692 ( 2.293 0.815 3.983) 4.668 6.805 ( 3.366 -9.906 -5.698) 11.914 7.609 ( -8.164 2.858 4.415) 9.712 7.915 ( 4.858 3.098 -0.718) 5.806 8.513 ( -4.861 -1.576 6.984) 8.654 8.727 ( 4.672 -2.429 -5.798) 7.832 9.378 ( 6.589 4.417 -6.360) 10.168 10.016 ( 2.973 4.508 0.318) 5.410 10.300 ( 3.948 -3.836 4.704) 7.241 10.689 ( -0.312 -2.612 -0.571) 2.692 11.773 ( -1.765 -3.776 1.158) 4.326 11.825 ( -0.202 -2.959 -0.721) 3.052 15.051 ( -10.184 2.477 3.807) 11.151 15.228 ( -3.444 1.707 -5.052) 6.349 17.242 ( -4.028 -3.127 0.542) 5.128 17.598 ( 3.838 -1.666 0.848) 4.269 17.747 ( -0.109 2.389 0.470) 2.437 17.860 ( 0.363 0.096 2.795) 2.820 18.286 ( 15.890 1.301 -0.866) 15.967 18.463 ( 17.589 -0.417 -0.182) 17.595 22.882 ( -5.781 -2.296 -1.147) 6.325 23.236 ( 1.525 -7.124 4.408) 8.515 28.227 ( -1.438 -2.183 -3.038) 4.008 28.376 ( 1.950 -0.906 3.257) 3.902 28.716 ( -4.724 2.147 -16.658) 17.448 29.911 ( 10.084 -3.377 3.551) 11.212 30.457 ( -0.425 -0.496 -7.169) 7.199 30.918 ( -1.735 -4.040 6.727) 8.037 31.086 ( -5.582 0.294 10.318) 11.735 31.218 ( -0.655 0.456 -5.374) 5.433 31.901 ( -2.210 4.576 8.998) 10.334 32.382 ( 15.124 12.956 -19.729) 28.032 34.348 ( -11.831 -3.638 5.777) 13.659 35.092 ( 6.303 -9.030 4.952) 12.075 45.668 ( -2.265 4.892 4.092) 6.768 45.766 ( 2.430 3.073 -3.152) 5.028 88.802 ( 10.195 -1.938 -0.316) 10.382 89.180 ( 17.730 -4.721 3.062) 18.602 89.755 ( -5.682 5.990 -4.745) 9.523 90.287 ( 12.296 10.420 7.154) 17.633 ======================= Grid point 352 (176/196) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 8.223 0.000 7.186) 10.921 2.739 ( 16.805 0.000 10.300) 19.711 3.117 ( -3.261 -0.000 4.328) 5.419 3.339 ( 2.197 0.000 -10.008) 10.246 3.574 ( -8.953 -0.000 10.100) 13.497 3.878 ( 14.785 0.000 -12.010) 19.048 4.087 ( 4.489 0.000 -0.017) 4.489 4.202 ( 1.774 0.000 0.074) 1.775 4.442 ( -7.395 -0.000 -4.633) 8.726 4.564 ( -7.203 -0.000 9.068) 11.581 5.402 ( -2.393 -0.000 -6.258) 6.700 5.705 ( 13.335 0.000 -8.342) 15.729 5.729 ( -10.814 -0.000 9.015) 14.078 5.909 ( -16.646 -0.000 -1.057) 16.680 6.963 ( -4.262 -0.000 7.893) 8.970 7.491 ( -8.898 -0.000 -8.677) 12.428 7.641 ( 6.189 0.000 9.111) 11.014 7.813 ( 5.262 0.000 -7.402) 9.082 8.483 ( 4.872 0.000 0.539) 4.902 8.702 ( 16.187 0.000 -6.930) 17.608 9.641 ( -12.745 -0.000 4.215) 13.424 10.086 ( 12.341 0.000 -3.322) 12.780 10.405 ( -18.122 -0.000 -1.909) 18.222 10.545 ( 2.883 0.000 4.667) 5.486 11.659 ( -0.692 -0.000 -1.230) 1.411 11.709 ( -2.147 -0.000 0.338) 2.173 15.215 ( 11.155 0.000 4.574) 12.057 15.376 ( 8.890 0.000 -3.684) 9.623 17.264 ( 3.838 0.000 -3.950) 5.508 17.418 ( -4.833 -0.000 1.533) 5.070 17.831 ( -2.109 -0.000 0.436) 2.154 17.896 ( 0.019 0.000 -0.756) 0.757 18.127 ( -16.606 -0.000 1.824) 16.705 18.384 ( -16.162 -0.000 -1.231) 16.209 22.776 ( 3.344 0.000 -0.925) 3.470 22.865 ( -2.686 -0.000 0.098) 2.688 28.132 ( -0.519 -0.000 0.168) 0.546 28.249 ( -1.964 -0.000 -0.352) 1.995 28.494 ( 0.283 0.000 13.324) 13.327 29.916 ( -7.183 -0.000 -5.033) 8.771 30.163 ( -0.939 -0.000 7.968) 8.023 30.852 ( 3.950 0.000 -7.898) 8.831 31.066 ( -2.762 -0.000 9.528) 9.920 31.303 ( 1.024 0.000 -8.608) 8.668 32.675 ( 9.910 0.000 -8.652) 13.156 32.760 ( -0.275 -0.000 1.418) 1.444 34.219 ( -0.069 -0.000 5.687) 5.688 34.697 ( -9.406 -0.000 -0.903) 9.449 45.786 ( 2.722 0.000 4.354) 5.135 46.109 ( 3.505 0.000 -5.692) 6.685 88.772 ( -5.948 -0.000 -2.392) 6.411 89.064 ( -16.448 -0.000 2.054) 16.575 89.877 ( 8.048 0.000 6.393) 10.278 90.906 ( -12.322 -0.000 -2.388) 12.551 ======================= Grid point 353 (177/196) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 8.121 11.701 7.959) 16.316 2.986 ( 6.964 11.013 4.966) 13.944 3.194 ( 4.286 -8.487 6.982) 11.796 3.345 ( 4.959 -2.189 0.061) 5.421 3.499 ( -8.738 -4.221 1.876) 9.884 3.977 ( 10.721 0.699 -11.438) 15.693 4.032 ( -4.632 8.317 1.082) 9.581 4.211 ( -4.545 0.791 -1.723) 4.924 4.342 ( -3.431 1.458 1.086) 3.883 4.428 ( -11.453 -2.490 5.349) 12.884 5.311 ( 6.138 4.591 -5.945) 9.701 5.573 ( -15.611 0.597 0.158) 15.624 5.770 ( 2.483 -3.210 2.273) 4.651 5.929 ( 6.780 -2.379 -5.125) 8.826 6.953 ( -2.598 3.805 9.636) 10.681 7.295 ( -5.297 2.945 -8.303) 10.280 7.748 ( -0.827 -0.998 6.625) 6.750 7.843 ( 5.167 0.055 -6.632) 8.408 8.599 ( 9.198 0.263 0.770) 9.234 8.850 ( 8.699 0.792 -7.518) 11.524 9.503 ( -5.533 2.311 6.393) 8.765 10.011 ( -18.557 -0.290 -4.237) 19.036 10.334 ( 11.113 0.878 -0.847) 11.180 10.564 ( -3.853 0.062 2.652) 4.678 11.653 ( 0.469 -0.588 -0.806) 1.102 11.682 ( -1.984 -0.609 0.079) 2.077 15.381 ( 7.093 1.658 4.151) 8.384 15.477 ( 8.269 1.218 -3.547) 9.080 17.287 ( 4.003 1.491 -2.094) 4.758 17.375 ( -5.035 -2.251 1.212) 5.647 17.799 ( -0.075 1.655 -0.721) 1.807 17.884 ( -2.902 -2.495 0.251) 3.836 17.969 ( -6.741 -1.619 0.918) 6.993 18.140 ( -14.059 0.180 -0.908) 14.089 22.815 ( 2.452 -0.358 -0.672) 2.568 22.857 ( -1.264 -2.643 0.014) 2.930 28.136 ( 0.801 0.454 1.472) 1.736 28.232 ( -1.723 -2.121 -1.031) 2.921 28.657 ( 6.920 0.294 16.744) 18.120 29.650 ( -14.103 -0.500 -15.089) 20.660 30.307 ( 4.051 -1.059 14.158) 14.764 30.840 ( 2.364 -1.273 -10.933) 11.257 31.091 ( -3.048 -0.182 8.612) 9.138 31.262 ( 1.232 -0.085 -6.774) 6.886 32.718 ( -3.280 4.769 2.777) 6.420 32.730 ( 9.163 3.238 -9.291) 13.445 34.279 ( 1.651 -1.097 6.007) 6.325 34.573 ( -7.697 -1.899 -1.614) 8.091 45.850 ( 1.977 1.213 5.128) 5.628 46.088 ( 1.105 1.721 -6.172) 6.502 88.706 ( -0.583 0.002 -1.784) 1.877 88.851 ( -13.060 0.034 1.387) 13.133 90.052 ( 9.117 1.646 8.544) 12.603 90.679 ( -11.312 2.307 -6.464) 13.232 ======================= Grid point 354 (178/196) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -0.282 14.784 8.052) 16.837 2.876 ( 3.190 12.976 -4.391) 14.065 3.275 ( -8.429 0.783 9.360) 12.620 3.436 ( 8.605 0.175 -1.936) 8.822 3.701 ( 11.660 -11.688 6.047) 17.582 3.816 ( -12.425 3.084 -0.787) 12.826 3.932 ( -14.866 2.532 1.977) 15.209 4.080 ( 11.923 9.565 -7.002) 16.813 4.312 ( -2.381 2.570 2.805) 4.488 4.450 ( 9.949 0.048 -8.019) 12.779 5.331 ( -12.315 0.632 4.812) 13.237 5.395 ( 9.223 2.783 -1.943) 9.828 5.851 ( -2.371 -2.813 2.248) 4.311 5.958 ( 2.647 -2.618 -8.252) 9.053 6.931 ( -1.199 6.824 10.797) 12.829 7.140 ( -1.025 4.722 -8.490) 9.769 7.746 ( -5.908 -0.351 5.728) 8.237 7.872 ( 5.095 0.273 -5.408) 7.436 8.708 ( 2.839 1.861 2.645) 4.303 8.790 ( -5.153 1.735 -5.161) 7.497 9.592 ( 14.702 2.334 5.546) 15.885 9.722 ( -11.426 1.361 -6.666) 13.298 10.473 ( -9.339 0.209 1.036) 9.399 10.487 ( 9.782 0.768 -0.155) 9.813 11.665 ( -1.044 -1.105 0.372) 1.565 11.680 ( 1.095 -1.513 -0.934) 2.088 15.424 ( -1.962 2.949 4.109) 5.425 15.511 ( 2.450 2.395 -3.992) 5.261 17.306 ( -5.917 -0.977 2.368) 6.447 17.344 ( 4.054 -0.159 -1.173) 4.223 17.819 ( -3.673 -1.667 1.162) 4.198 17.855 ( 4.627 -0.699 -2.186) 5.165 17.980 ( -5.669 -0.779 0.731) 5.769 17.995 ( 5.107 -1.160 -0.568) 5.268 22.857 ( -0.533 -2.733 0.774) 2.890 22.877 ( 0.394 -2.936 -1.034) 3.138 28.171 ( 1.547 -0.768 2.642) 3.157 28.225 ( -1.447 -2.326 -2.410) 3.649 28.939 ( 12.939 -0.631 18.917) 22.928 29.326 ( -13.503 -0.342 -17.146) 21.827 30.490 ( 3.597 -2.542 13.326) 14.035 30.787 ( -0.336 -2.190 -13.920) 14.095 31.103 ( -3.881 -0.160 8.083) 8.968 31.245 ( 2.101 -0.251 -5.405) 5.804 32.576 ( -7.197 9.548 4.623) 12.820 32.740 ( 10.162 5.730 -11.064) 16.078 34.385 ( 1.663 -2.488 7.134) 7.737 34.491 ( -4.377 -3.255 -2.412) 5.964 45.883 ( 0.380 2.865 5.814) 6.492 46.013 ( -0.701 2.980 -6.231) 6.942 88.709 ( -6.645 0.127 1.211) 6.756 88.735 ( 6.265 0.132 -1.194) 6.379 90.223 ( 9.048 4.343 9.769) 14.006 90.427 ( -8.671 3.653 -9.254) 13.197 ======================= Grid point 355 (179/196) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -3.299 12.944 4.842) 14.208 2.730 ( 3.097 9.958 -8.666) 13.559 3.193 ( -5.698 6.782 7.388) 11.534 3.445 ( -2.876 7.627 -9.485) 12.506 3.582 ( -7.660 8.578 7.923) 13.965 3.773 ( 0.738 -2.641 -5.182) 5.863 3.985 ( 3.229 -3.190 -0.820) 4.613 4.119 ( -0.406 4.496 9.453) 10.476 4.244 ( 5.655 2.174 -1.553) 6.255 4.548 ( 14.980 6.096 -8.521) 18.280 5.172 ( -8.723 1.219 0.280) 8.812 5.518 ( 9.381 6.199 -0.827) 11.274 5.822 ( -5.048 -6.481 7.572) 11.173 6.049 ( 6.444 -7.959 -6.262) 12.004 6.899 ( -0.044 9.619 11.355) 14.882 6.996 ( 0.528 7.667 -9.436) 12.169 7.695 ( -6.605 -0.423 6.127) 9.019 7.903 ( 3.162 -0.245 -3.243) 4.536 8.602 ( -8.827 1.653 0.092) 8.981 8.723 ( -2.908 0.714 -0.033) 2.994 9.564 ( 2.188 4.437 -8.225) 9.599 9.897 ( 22.542 2.263 5.419) 23.294 10.304 ( -13.100 -0.279 -0.099) 13.103 10.598 ( 5.881 0.099 -0.689) 5.922 11.671 ( -0.983 -1.947 0.572) 2.255 11.719 ( 1.698 -1.836 -0.693) 2.595 15.316 ( -9.330 3.892 3.482) 10.692 15.431 ( -4.298 2.637 -4.240) 6.588 17.232 ( -6.125 -0.856 1.992) 6.498 17.439 ( 5.647 -1.973 0.487) 6.002 17.766 ( -1.297 0.242 0.333) 1.361 17.901 ( -3.898 -0.203 1.228) 4.092 18.058 ( 15.903 -1.353 -1.132) 16.001 18.155 ( 12.063 -2.412 -0.801) 12.327 22.853 ( -3.994 -2.916 -0.220) 4.950 22.952 ( 2.289 -4.680 0.570) 5.241 28.199 ( -1.672 -1.767 -2.130) 3.233 28.248 ( 2.340 -2.089 2.066) 3.756 29.014 ( -10.310 0.564 -17.246) 20.101 29.334 ( 17.708 -3.228 17.880) 25.371 30.644 ( -1.979 -1.965 0.762) 2.891 30.697 ( 0.292 -3.205 -4.804) 5.782 31.101 ( -4.591 0.003 8.572) 9.724 31.242 ( 1.960 -0.373 -5.496) 5.847 32.342 ( -9.612 12.711 6.710) 17.291 32.725 ( 10.862 7.479 -13.427) 18.821 34.374 ( -7.470 -1.297 2.698) 8.048 34.611 ( 7.543 -6.787 3.077) 10.603 45.868 ( -1.935 4.457 5.029) 6.993 45.915 ( -0.791 3.230 -4.685) 5.745 88.675 ( 0.994 -0.160 1.166) 1.541 88.873 ( 12.885 -0.159 -0.595) 12.900 90.146 ( -8.641 5.630 -6.380) 12.126 90.403 ( 11.536 6.135 6.124) 14.429 ======================= Grid point 356 (180/196) ======================= q-point: (-0.20 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -1.526 7.090 0.280) 7.258 2.585 ( 2.125 6.440 -12.965) 14.631 2.911 ( -10.799 21.313 2.060) 23.981 3.222 ( -4.700 5.858 -2.800) 8.015 3.485 ( -2.756 3.396 2.078) 4.842 3.819 ( 2.264 3.400 -2.549) 4.815 3.924 ( -2.026 3.865 -8.173) 9.265 4.021 ( -3.482 4.013 12.542) 13.621 4.463 ( 9.154 -5.275 3.327) 11.076 4.602 ( 10.258 7.797 -2.790) 13.183 4.959 ( -9.889 5.336 -8.229) 13.928 5.584 ( 15.483 6.962 -1.762) 17.067 5.976 ( -2.104 -8.820 9.821) 13.366 6.276 ( 13.364 -9.184 -1.367) 16.273 6.821 ( 0.174 9.114 -8.733) 12.624 6.863 ( 2.780 9.927 9.568) 14.064 7.646 ( -6.723 0.137 5.451) 8.656 7.936 ( 2.436 -1.130 0.092) 2.687 8.489 ( -5.779 -0.350 2.598) 6.346 8.677 ( -1.825 -1.665 -2.703) 3.662 9.523 ( 8.427 6.599 -7.015) 12.797 10.097 ( -12.333 0.673 -0.107) 12.352 10.245 ( 18.449 0.627 5.606) 19.292 10.643 ( 0.395 -1.042 -2.045) 2.329 11.692 ( -0.929 -2.469 0.914) 2.792 11.760 ( 0.906 -1.965 -0.453) 2.211 15.131 ( -10.646 3.694 2.182) 11.478 15.281 ( -6.508 2.165 -3.759) 7.821 17.183 ( -4.074 -1.408 1.290) 4.499 17.552 ( 4.584 -2.258 1.312) 5.276 17.776 ( 2.004 0.615 -0.183) 2.104 17.869 ( -0.985 0.445 2.143) 2.400 18.315 ( 17.151 0.764 0.082) 17.168 18.399 ( 15.630 -4.142 -1.441) 16.233 22.821 ( -4.185 -2.305 -0.462) 4.800 23.062 ( 1.679 -6.312 1.720) 6.755 28.177 ( -1.269 -1.600 -2.997) 3.626 28.332 ( 2.114 -2.341 2.899) 4.284 28.765 ( -3.853 1.637 -16.195) 16.728 29.784 ( 17.633 -5.251 12.237) 22.096 30.478 ( -6.252 0.953 -13.124) 14.568 30.804 ( -1.477 -4.393 7.193) 8.557 31.098 ( -4.494 0.395 10.209) 11.162 31.224 ( 0.645 0.067 -5.571) 5.608 32.105 ( -7.956 11.009 8.952) 16.267 32.667 ( 9.912 8.829 -16.455) 21.141 34.302 ( -6.195 -0.455 3.382) 7.072 34.858 ( 7.819 -8.603 4.060) 12.314 45.789 ( -2.464 4.120 0.146) 4.803 45.852 ( -0.694 3.619 0.837) 3.779 88.759 ( 7.649 -1.293 0.984) 7.819 89.106 ( 16.504 -1.414 0.409) 16.570 89.902 ( -7.519 5.257 -6.856) 11.453 90.537 ( 12.632 8.911 6.799) 16.888 ======================= Grid point 357 (181/196) ======================= q-point: (-0.10 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -5.348 3.832 -6.708) 9.396 2.406 ( -3.947 7.156 -10.861) 13.593 2.597 ( 1.331 9.361 -1.370) 9.554 3.074 ( -3.095 8.629 3.504) 9.815 3.370 ( -5.179 8.535 2.813) 10.372 3.705 ( -1.534 2.601 -4.722) 5.605 3.842 ( 1.891 2.234 -6.019) 6.693 4.106 ( 2.515 -3.102 6.656) 7.762 4.575 ( -3.317 1.881 3.655) 5.282 4.665 ( 11.615 4.939 -0.934) 12.656 4.723 ( -3.680 2.145 -7.252) 8.411 5.700 ( 15.723 12.387 -2.151) 20.131 6.072 ( -5.413 -6.288 4.505) 9.441 6.601 ( 15.000 -2.237 4.708) 15.879 6.681 ( -0.146 1.237 -6.984) 7.094 6.933 ( 14.532 5.529 5.420) 16.466 7.566 ( -5.953 2.010 4.011) 7.454 8.013 ( 5.145 -0.548 1.501) 5.387 8.468 ( -4.384 -1.749 6.322) 7.890 8.668 ( -1.308 -4.088 -4.858) 6.483 9.528 ( 7.431 4.959 -4.727) 10.108 9.917 ( -9.859 -0.131 0.335) 9.865 10.511 ( 12.409 1.256 5.872) 13.785 10.595 ( -6.305 -1.206 -3.743) 7.431 11.717 ( -1.240 -2.644 1.221) 3.165 11.784 ( -0.412 -1.782 -0.596) 1.924 14.962 ( -8.014 2.411 1.515) 8.505 15.158 ( -3.552 0.670 -2.942) 4.661 17.161 ( -2.574 -1.982 -0.015) 3.249 17.644 ( 3.463 -1.066 1.337) 3.862 17.781 ( 0.852 1.465 -0.403) 1.742 17.898 ( 1.883 -0.202 2.320) 2.995 18.541 ( 15.007 1.972 0.188) 15.137 18.664 ( 12.574 -3.530 -0.177) 13.061 22.786 ( -3.133 -1.388 -0.463) 3.458 23.175 ( -0.454 -6.680 2.721) 7.227 28.164 ( -0.722 -1.741 -2.369) 3.027 28.403 ( 0.878 -1.624 2.337) 2.978 28.646 ( 5.721 1.563 -12.275) 13.633 29.892 ( -10.614 6.147 -7.397) 14.323 30.510 ( 15.745 -8.015 0.652) 17.680 30.850 ( -4.572 -4.046 4.650) 7.675 31.096 ( -5.177 1.253 10.093) 11.412 31.183 ( -0.767 0.857 -3.110) 3.316 31.986 ( -3.635 4.645 10.190) 11.774 32.559 ( 8.736 8.690 -19.414) 22.994 34.256 ( -3.907 0.488 4.661) 6.102 35.093 ( 4.313 -7.844 4.449) 9.996 45.711 ( -2.082 3.557 1.610) 4.425 45.813 ( 0.724 2.340 -0.377) 2.479 88.929 ( 10.451 -2.419 0.044) 10.727 89.379 ( 12.446 -3.221 2.250) 13.051 89.704 ( -3.959 3.837 -5.263) 7.622 90.656 ( 12.420 9.017 6.917) 16.835 ======================= Grid point 363 (182/196) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 5.248 0.000 6.965) 8.721 3.101 ( -3.489 -0.000 7.767) 8.515 3.232 ( -12.142 0.000 1.196) 12.201 3.391 ( 13.046 -0.000 -9.945) 16.404 3.460 ( 10.230 -0.000 14.049) 17.379 3.738 ( -14.368 -0.000 -11.290) 18.273 4.082 ( -11.161 -0.000 9.107) 14.405 4.285 ( -3.768 0.000 4.247) 5.677 4.289 ( 6.843 -0.000 -8.290) 10.749 4.418 ( 17.248 -0.000 -8.413) 19.190 5.341 ( -13.708 -0.000 2.934) 14.018 5.416 ( 9.355 -0.000 -4.919) 10.570 5.822 ( -0.437 -0.000 5.376) 5.394 5.946 ( 1.486 -0.000 -6.658) 6.822 7.023 ( -0.368 -0.000 9.752) 9.759 7.195 ( -2.745 -0.000 -6.086) 6.676 7.741 ( -4.924 -0.000 5.664) 7.505 7.877 ( 4.905 -0.000 -6.347) 8.022 8.731 ( 4.371 -0.000 2.727) 5.151 8.814 ( -7.208 -0.000 -5.216) 8.897 9.624 ( 13.860 -0.000 4.981) 14.728 9.740 ( -9.969 -0.000 -6.048) 11.660 10.478 ( -9.567 -0.000 1.393) 9.668 10.499 ( 9.710 -0.000 -0.413) 9.719 11.652 ( -1.476 -0.000 0.118) 1.481 11.661 ( 1.641 -0.000 -0.613) 1.752 15.463 ( -1.772 -0.000 3.769) 4.165 15.543 ( 2.096 -0.000 -3.693) 4.246 17.294 ( -5.868 -0.000 2.837) 6.518 17.345 ( 3.815 -0.000 -1.850) 4.240 17.793 ( -2.401 -0.000 1.926) 3.078 17.845 ( 5.037 -0.000 -2.940) 5.832 17.971 ( -7.192 -0.000 0.280) 7.197 17.976 ( 5.196 -0.000 -0.109) 5.197 22.820 ( -1.553 -0.000 0.577) 1.657 22.837 ( 1.506 -0.000 -0.986) 1.800 28.167 ( 1.574 -0.000 1.125) 1.934 28.187 ( -1.463 -0.000 -0.845) 1.689 28.932 ( 11.824 -0.000 18.985) 22.366 29.322 ( -12.799 -0.000 -17.293) 21.514 30.456 ( 3.243 -0.000 13.320) 13.709 30.758 ( 0.398 -0.000 -14.434) 14.440 31.101 ( -3.845 -0.000 8.230) 9.084 31.242 ( 1.966 -0.000 -5.294) 5.647 32.710 ( -4.312 -0.000 1.739) 4.649 32.808 ( 6.988 -0.000 -7.698) 10.397 34.353 ( 3.175 -0.000 6.601) 7.325 34.449 ( -5.604 -0.000 -2.056) 5.969 45.921 ( 0.762 -0.000 5.858) 5.907 46.052 ( -1.085 -0.000 -6.319) 6.412 88.711 ( -6.663 -0.000 1.205) 6.771 88.738 ( 6.290 -0.000 -1.192) 6.402 90.280 ( 10.878 -0.000 9.513) 14.451 90.475 ( -10.374 -0.000 -8.606) 13.479 ======================= Grid point 365 (183/196) ======================= q-point: (-0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( -6.779 13.445 0.793) 15.079 3.018 ( -0.948 11.530 -1.573) 11.675 3.196 ( -3.405 -5.115 4.699) 7.735 3.458 ( -15.279 -9.851 -9.199) 20.375 3.586 ( 12.796 0.147 -3.558) 13.282 3.704 ( -3.902 -5.072 10.001) 11.873 4.003 ( 5.262 7.641 3.579) 9.944 4.244 ( 0.845 2.947 0.722) 3.150 4.278 ( -4.010 -1.286 -0.672) 4.264 4.662 ( 20.226 2.400 -12.163) 23.723 5.220 ( -2.613 1.982 3.152) 4.549 5.547 ( 8.660 -2.279 1.506) 9.080 5.796 ( -5.575 2.888 1.094) 6.373 5.905 ( 0.154 -3.492 -3.908) 5.243 7.091 ( 2.709 4.423 10.167) 11.413 7.122 ( -0.057 2.126 -5.087) 5.514 7.691 ( -6.849 0.059 5.793) 8.970 7.885 ( 1.272 -0.700 -5.326) 5.520 8.635 ( -9.662 0.834 -2.679) 10.062 8.729 ( -7.293 -0.052 3.616) 8.140 9.653 ( 5.760 2.047 -7.576) 9.735 9.931 ( 21.455 0.554 3.479) 21.742 10.310 ( -13.018 0.374 1.156) 13.075 10.604 ( 5.074 0.209 -0.987) 5.173 11.641 ( -0.647 -0.537 0.285) 0.888 11.690 ( 2.313 -0.497 -0.610) 2.443 15.394 ( -8.810 1.820 3.608) 9.693 15.477 ( -5.913 0.853 -4.038) 7.211 17.226 ( -5.854 0.159 3.177) 6.662 17.394 ( 3.568 -1.191 -0.440) 3.787 17.793 ( 1.606 1.596 -0.180) 2.272 17.880 ( -1.377 -1.292 0.582) 1.976 18.006 ( 12.313 -1.811 -2.532) 12.701 18.117 ( 12.117 -0.547 1.315) 12.200 22.802 ( -2.507 -0.958 0.407) 2.715 22.862 ( 1.171 -2.027 -0.415) 2.377 28.167 ( -1.067 -0.699 -1.245) 1.782 28.207 ( 2.001 -0.939 1.152) 2.493 29.026 ( -9.191 0.278 -17.359) 19.644 29.281 ( 15.032 -0.978 19.193) 24.399 30.595 ( 1.705 -1.238 10.703) 10.908 30.645 ( -0.812 -0.972 -15.993) 16.043 31.100 ( -4.373 -0.030 8.566) 9.617 31.236 ( 1.971 -0.134 -5.156) 5.521 32.605 ( -6.459 6.507 2.646) 9.543 32.835 ( 5.933 1.424 -8.389) 10.373 34.363 ( -4.087 0.136 -1.059) 4.224 34.483 ( 5.248 -2.903 6.021) 8.498 45.951 ( -1.476 1.832 5.515) 5.996 45.972 ( -2.197 1.072 -5.196) 5.743 88.673 ( 0.387 0.002 1.206) 1.266 88.873 ( 12.571 0.048 -0.662) 12.588 90.246 ( -9.360 2.055 -9.259) 13.326 90.513 ( 12.754 2.267 8.903) 15.718 ======================= Grid point 366 (184/196) ======================= q-point: (-0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -4.880 10.891 -7.317) 13.999 2.807 ( -3.686 10.156 -5.088) 11.942 3.231 ( -1.325 -0.192 1.925) 2.345 3.301 ( -10.976 -1.922 -2.684) 11.462 3.565 ( -10.553 6.193 2.393) 12.468 3.756 ( 8.615 -2.307 -3.740) 9.671 4.018 ( -0.329 3.479 -2.663) 4.393 4.184 ( -7.740 3.871 7.289) 11.314 4.342 ( 7.822 -2.861 3.669) 9.101 4.716 ( 1.340 0.971 -2.547) 3.037 5.153 ( -2.657 10.123 -6.110) 12.119 5.722 ( 6.518 -1.564 2.932) 7.317 5.766 ( 7.836 -1.919 0.871) 8.115 6.050 ( 13.767 -7.630 -1.151) 15.781 7.024 ( -0.203 5.623 -6.143) 8.330 7.137 ( 3.857 9.919 10.836) 15.188 7.636 ( -6.901 -0.460 6.457) 9.462 7.870 ( -1.624 -3.688 -2.748) 4.877 8.496 ( -5.701 0.921 -0.452) 5.793 8.630 ( -7.745 -2.038 0.423) 8.020 9.686 ( 10.222 5.422 -6.948) 13.497 10.070 ( -13.886 -1.601 0.619) 13.991 10.303 ( 19.321 2.504 4.571) 20.011 10.628 ( -0.319 -0.339 -2.537) 2.579 11.649 ( -0.112 -0.943 0.738) 1.203 11.728 ( 2.105 -0.647 -0.585) 2.279 15.229 ( -10.475 3.645 1.571) 11.201 15.322 ( -8.729 0.726 -2.638) 9.147 17.169 ( -4.185 0.214 2.689) 4.979 17.480 ( 3.843 -2.990 0.859) 4.944 17.809 ( 3.830 1.997 -0.750) 4.384 17.875 ( -0.798 -0.019 1.314) 1.538 18.258 ( 16.289 -4.853 -2.643) 17.201 18.344 ( 15.616 0.192 1.682) 15.707 22.775 ( -2.981 -1.138 0.055) 3.191 22.924 ( 1.742 -4.216 0.471) 4.586 28.150 ( -0.615 -0.531 -1.960) 2.121 28.270 ( 2.111 -2.226 1.722) 3.518 28.798 ( -3.365 0.917 -15.932) 16.309 29.677 ( 16.264 -2.933 16.474) 23.335 30.490 ( -3.125 0.155 -17.230) 17.512 30.711 ( -0.532 -2.686 7.963) 8.421 31.103 ( -4.178 0.043 10.060) 10.893 31.223 ( 1.400 -0.057 -5.544) 5.718 32.405 ( -8.367 10.887 5.323) 14.726 32.819 ( 4.790 3.002 -10.939) 12.313 34.303 ( -2.713 0.267 -0.329) 2.746 34.676 ( 7.284 -5.296 5.971) 10.805 45.866 ( -2.769 1.977 -4.542) 5.675 45.939 ( -2.951 2.743 5.587) 6.888 88.737 ( 6.228 -0.481 1.339) 6.389 89.090 ( 16.300 -0.126 -0.300) 16.303 90.011 ( -8.647 3.048 -8.784) 12.697 90.727 ( 14.255 5.553 7.301) 16.951 ======================= Grid point 367 (185/196) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -7.924 5.712 -13.515) 16.675 2.624 ( -0.877 7.645 -5.141) 9.254 2.966 ( -14.530 14.727 0.692) 20.700 3.237 ( -1.385 3.568 1.298) 4.041 3.449 ( -2.325 -1.534 -1.056) 2.978 3.773 ( -2.661 4.071 -7.146) 8.645 3.932 ( -1.202 2.391 -2.147) 3.431 4.091 ( -5.527 1.802 10.802) 12.267 4.496 ( 1.074 -4.014 5.953) 7.260 4.743 ( 1.696 -1.102 2.492) 3.210 4.840 ( -10.855 7.533 -8.447) 15.682 5.837 ( -3.667 -8.098 4.656) 10.035 5.976 ( 21.912 5.504 -5.991) 23.373 6.409 ( 17.121 -5.389 -1.163) 17.987 6.906 ( 3.428 8.072 -2.918) 9.242 7.140 ( 5.533 10.192 10.539) 15.670 7.574 ( -7.314 -1.129 3.049) 8.004 7.934 ( 2.935 -5.101 2.324) 6.328 8.432 ( -3.915 -0.991 2.162) 4.581 8.578 ( -2.507 -3.128 -3.857) 5.563 9.671 ( 1.586 5.723 -5.028) 7.781 9.907 ( -7.598 -0.584 2.211) 7.935 10.534 ( 1.250 0.130 0.358) 1.307 10.595 ( 6.919 1.299 -0.779) 7.082 11.670 ( 0.126 -1.055 1.239) 1.633 11.756 ( 1.267 -0.451 -0.675) 1.505 15.039 ( -8.164 3.393 -0.947) 8.892 15.186 ( -5.885 1.231 -0.485) 6.032 17.135 ( -2.571 -0.099 1.657) 3.060 17.588 ( 3.650 -3.333 1.479) 5.160 17.819 ( 1.675 1.949 -1.634) 3.045 17.895 ( 1.664 -0.082 2.075) 2.661 18.538 ( 13.063 -5.683 -1.364) 14.311 18.581 ( 15.112 1.038 1.064) 15.185 22.751 ( -2.082 -1.217 -0.132) 2.415 23.023 ( 2.351 -5.074 1.242) 5.729 28.136 ( 0.017 -0.358 -1.772) 1.808 28.344 ( 1.571 -2.688 1.762) 3.577 28.683 ( 4.373 1.175 -12.907) 13.678 29.983 ( 4.061 0.791 -0.575) 4.177 30.360 ( 4.375 -3.146 -5.363) 7.603 30.763 ( -3.505 -2.685 5.466) 7.027 31.118 ( -4.256 0.411 10.797) 11.613 31.198 ( 0.867 0.409 -4.905) 4.998 32.191 ( -7.870 10.300 8.634) 15.575 32.732 ( 2.738 4.707 -14.460) 15.452 34.274 ( -0.798 0.511 0.746) 1.206 34.907 ( 7.424 -6.217 5.473) 11.123 45.778 ( -1.930 1.651 -3.194) 4.081 45.887 ( -3.724 3.077 4.641) 6.699 88.879 ( 9.265 -1.410 1.417) 9.478 89.336 ( 15.153 -0.511 -0.158) 15.162 89.792 ( -7.209 2.916 -6.693) 10.260 90.891 ( 13.620 8.710 4.626) 16.816 ======================= Grid point 368 (186/196) ======================= q-point: (-0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -8.503 1.204 -13.648) 16.125 2.422 ( -8.212 10.627 -0.917) 13.461 2.683 ( -0.888 6.266 -2.383) 6.763 3.154 ( -3.467 5.616 3.720) 7.576 3.402 ( -4.235 5.269 0.572) 6.784 3.600 ( -2.964 -0.343 -7.571) 8.138 3.863 ( -0.483 2.141 -2.342) 3.210 4.147 ( -0.084 -2.939 8.292) 8.798 4.552 ( -6.431 3.622 -2.161) 7.691 4.595 ( -1.990 -4.439 1.272) 5.028 4.826 ( 1.736 -1.908 1.279) 2.879 5.893 ( -6.812 -7.251 4.840) 11.064 6.087 ( 13.707 12.111 -7.490) 19.765 6.547 ( 0.277 -4.115 -4.983) 6.468 6.924 ( 8.152 7.421 3.966) 11.715 7.272 ( 13.199 3.310 8.216) 15.896 7.522 ( -3.604 -1.954 0.772) 4.172 8.087 ( 5.779 -3.210 3.840) 7.645 8.433 ( 0.161 -1.732 0.776) 1.904 8.549 ( -3.199 -2.273 -3.602) 5.326 9.535 ( -6.759 1.607 -2.727) 7.464 9.914 ( 5.273 1.792 3.879) 6.787 10.407 ( -10.672 -1.590 -5.725) 12.214 10.720 ( 6.866 2.649 2.472) 7.763 11.694 ( 0.145 -0.839 1.447) 1.678 11.766 ( 0.559 -0.014 -0.991) 1.138 14.904 ( -3.938 2.292 -0.893) 4.643 15.109 ( -2.288 0.838 -0.239) 2.448 17.117 ( -1.305 -0.433 0.444) 1.445 17.685 ( 3.011 -2.068 1.334) 3.889 17.798 ( -0.193 1.173 -0.963) 1.530 17.936 ( 1.472 -0.147 1.304) 1.972 18.747 ( 5.878 -4.712 0.179) 7.536 18.764 ( 10.619 1.842 0.104) 10.778 22.743 ( -0.559 -0.865 -0.334) 1.083 23.126 ( 1.837 -3.717 1.736) 4.495 28.134 ( 0.317 -0.331 -1.067) 1.161 28.402 ( 0.660 -1.927 1.164) 2.346 28.717 ( 11.335 0.218 -7.973) 13.860 29.714 ( -14.359 8.374 -13.457) 21.386 30.661 ( 15.053 -8.303 3.583) 17.561 30.773 ( -3.636 -3.313 5.026) 7.033 31.101 ( -5.633 1.894 7.594) 9.643 31.174 ( 0.448 0.955 -1.614) 1.928 32.060 ( -5.550 5.134 11.068) 13.404 32.584 ( 2.017 4.583 -17.718) 18.412 34.271 ( 0.276 0.949 1.617) 1.895 35.109 ( 4.576 -4.349 4.594) 7.807 45.720 ( -1.539 1.485 -0.438) 2.183 45.834 ( -1.907 1.361 1.770) 2.936 89.050 ( 8.736 -1.882 1.076) 9.001 89.463 ( -0.473 1.236 -2.855) 3.147 89.697 ( 4.024 -0.180 -0.849) 4.117 90.970 ( 9.162 9.298 2.050) 13.213 ======================= Grid point 375 (187/196) ======================= q-point: (-0.40 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -4.851 -0.000 -7.549) 8.974 3.002 ( -18.735 -0.000 -12.508) 22.527 3.133 ( -3.935 -0.000 8.771) 9.614 3.169 ( 2.375 0.000 -1.792) 2.975 3.656 ( -7.519 -0.000 7.980) 10.964 3.740 ( 11.572 0.000 -5.765) 12.928 4.144 ( -6.164 -0.000 -4.852) 7.845 4.172 ( -1.295 -0.000 2.313) 2.650 4.309 ( 6.465 0.000 7.282) 9.737 4.713 ( -5.640 -0.000 -4.098) 6.971 5.378 ( 9.365 0.000 -4.359) 10.329 5.544 ( -9.907 -0.000 6.559) 11.882 5.883 ( 10.595 0.000 1.476) 10.697 5.889 ( 17.740 0.000 -5.497) 18.572 7.096 ( -0.252 -0.000 -4.079) 4.087 7.284 ( 7.080 0.000 10.556) 12.710 7.634 ( -7.150 -0.000 7.664) 10.481 7.801 ( -5.662 -0.000 -5.646) 7.996 8.519 ( -3.111 -0.000 -3.117) 4.404 8.593 ( -12.485 -0.000 3.289) 12.911 9.763 ( 11.598 0.000 -6.805) 13.447 10.045 ( -13.623 -0.000 0.560) 13.634 10.338 ( 18.301 0.000 4.272) 18.793 10.623 ( -1.081 -0.000 -2.524) 2.746 11.638 ( 0.251 0.000 0.660) 0.706 11.721 ( 2.663 0.000 -0.726) 2.760 15.293 ( -9.316 -0.000 4.105) 10.181 15.317 ( -10.482 -0.000 -4.803) 11.530 17.177 ( -4.481 -0.000 3.792) 5.870 17.434 ( 3.563 0.000 0.014) 3.563 17.848 ( 3.577 0.000 -1.129) 3.751 17.871 ( 0.125 0.000 1.409) 1.414 18.181 ( 15.734 0.000 -3.133) 16.043 18.348 ( 16.051 0.000 2.185) 16.199 22.763 ( -2.591 -0.000 0.293) 2.607 22.865 ( 1.829 0.000 0.069) 1.830 28.145 ( -0.220 -0.000 -0.993) 1.017 28.237 ( 2.055 0.000 0.742) 2.185 28.810 ( -3.237 -0.000 -15.869) 16.196 29.639 ( 15.225 0.000 17.650) 23.309 30.492 ( -1.421 -0.000 -18.805) 18.859 30.675 ( -0.115 -0.000 8.475) 8.476 31.103 ( -4.193 -0.000 10.104) 10.939 31.223 ( 1.627 0.000 -5.521) 5.756 32.568 ( -6.765 -0.000 1.550) 6.940 32.844 ( 2.025 0.000 -6.655) 6.956 34.307 ( -1.706 -0.000 -2.351) 2.904 34.605 ( 6.799 0.000 7.426) 10.068 45.891 ( -3.210 -0.000 -5.464) 6.337 45.976 ( -3.465 -0.000 6.539) 7.400 88.731 ( 5.803 0.000 1.389) 5.967 89.090 ( 16.331 0.000 -0.377) 16.335 90.051 ( -8.995 -0.000 -9.558) 13.125 90.801 ( 15.233 0.000 7.596) 17.022 ======================= Grid point 376 (188/196) ======================= q-point: (-0.30 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -14.196 8.247 -12.307) 20.519 2.765 ( -2.924 1.736 -9.478) 10.070 3.113 ( -10.753 -1.063 7.921) 13.398 3.216 ( 1.066 -2.999 -1.476) 3.509 3.558 ( -5.241 7.110 3.680) 9.568 3.835 ( 7.275 0.950 -7.620) 10.578 3.989 ( -5.997 2.344 -2.003) 6.743 4.109 ( -9.360 -1.023 3.974) 10.220 4.454 ( 1.982 1.508 5.099) 5.675 4.607 ( -6.298 -7.200 0.473) 9.578 5.150 ( -13.859 14.866 -0.982) 20.348 5.540 ( -10.299 -13.606 2.741) 17.283 6.097 ( 17.992 2.437 2.402) 18.315 6.336 ( 36.048 -0.849 -8.396) 37.022 7.050 ( 0.620 3.157 -1.812) 3.692 7.384 ( 0.095 5.906 8.956) 10.728 7.557 ( -8.899 2.296 4.705) 10.325 7.767 ( 2.045 -7.477 0.684) 7.781 8.428 ( -7.767 0.590 0.746) 7.825 8.507 ( -0.230 -2.121 -3.065) 3.734 9.793 ( -9.314 3.339 -0.478) 9.906 9.885 ( 1.867 -1.156 -2.130) 3.059 10.534 ( -6.352 0.041 -4.063) 7.540 10.626 ( 14.366 0.686 2.853) 14.663 11.657 ( 1.136 -0.136 1.240) 1.687 11.754 ( 2.612 0.103 -0.956) 2.783 15.114 ( -8.853 1.943 -4.172) 9.977 15.207 ( -5.984 0.337 3.324) 6.853 17.146 ( -2.933 0.558 3.539) 4.630 17.505 ( 3.572 -2.281 0.444) 4.261 17.871 ( 0.885 1.535 -0.834) 1.958 17.893 ( 2.532 -0.014 0.366) 2.558 18.413 ( 13.771 -3.198 -1.666) 14.235 18.597 ( 14.955 0.255 1.501) 15.032 22.730 ( -1.921 -0.359 -0.142) 1.959 22.928 ( 4.251 -2.087 0.925) 4.825 28.140 ( 0.653 0.403 -0.641) 1.000 28.283 ( 1.955 -1.608 0.774) 2.647 28.703 ( 3.811 0.417 -13.152) 13.699 29.968 ( 11.401 -0.916 9.014) 14.563 30.331 ( -0.655 -0.063 -15.573) 15.587 30.716 ( -2.264 -0.936 6.000) 6.481 31.122 ( -4.120 0.019 11.390) 12.112 31.205 ( 1.736 0.107 -5.759) 6.016 32.426 ( -8.554 6.119 3.133) 10.974 32.799 ( -0.813 0.817 -7.578) 7.665 34.278 ( 0.024 -0.034 -2.173) 2.174 34.793 ( 8.748 -2.453 7.212) 11.600 45.804 ( -2.808 0.476 -4.651) 5.453 45.947 ( -5.426 1.329 6.247) 8.380 88.857 ( 8.701 -0.401 1.769) 8.888 89.334 ( 16.176 0.102 -0.844) 16.198 89.845 ( -8.608 1.101 -7.882) 11.723 91.061 ( 16.415 3.813 3.880) 17.293 ======================= Grid point 377 (189/196) ======================= q-point: (-0.20 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -13.351 5.402 -9.054) 17.012 2.633 ( -2.803 4.790 -7.471) 9.307 2.901 ( -14.299 8.153 4.202) 16.988 3.235 ( -0.965 -0.036 -2.915) 3.071 3.438 ( -2.867 3.678 3.800) 6.016 3.745 ( -4.358 6.692 -7.554) 10.992 3.906 ( -4.388 1.120 0.757) 4.591 4.058 ( -3.994 -4.224 5.846) 8.245 4.458 ( -5.251 -6.491 0.532) 8.365 4.670 ( -4.312 -3.601 2.406) 6.111 4.763 ( -9.825 9.666 2.136) 13.948 5.591 ( -9.511 -15.158 0.790) 17.913 6.335 ( 15.386 4.139 2.360) 16.107 6.575 ( 10.023 7.661 -14.543) 19.252 7.088 ( 5.846 4.100 5.676) 9.122 7.346 ( -3.034 -1.780 4.069) 5.379 7.463 ( -3.638 2.269 5.765) 7.185 7.965 ( 6.489 -6.055 4.646) 10.018 8.377 ( 3.012 -1.907 -3.575) 5.049 8.516 ( 1.000 -0.729 -2.523) 2.810 9.595 ( -10.856 2.430 2.598) 11.424 9.941 ( 5.492 0.353 -0.363) 5.516 10.369 ( -10.705 -1.093 -6.236) 12.437 10.787 ( 7.118 2.152 1.581) 7.602 11.690 ( 1.777 0.243 1.602) 2.405 11.779 ( 2.508 0.770 -1.275) 2.917 14.961 ( -4.026 1.807 -3.991) 5.950 15.153 ( -2.662 2.136 3.071) 4.591 17.126 ( -1.461 0.912 2.703) 3.205 17.599 ( 2.948 -3.892 0.694) 4.931 17.840 ( -0.800 1.878 -1.252) 2.395 17.932 ( 1.945 -0.148 0.251) 1.967 18.619 ( 7.185 -4.543 -0.125) 8.502 18.794 ( 10.877 0.554 0.306) 10.896 22.719 ( -0.254 -0.863 -0.521) 1.040 23.051 ( 6.899 -2.111 1.608) 7.392 28.144 ( 1.292 0.968 -0.094) 1.617 28.342 ( 1.413 -2.428 0.825) 2.928 28.726 ( 10.899 0.307 -9.448) 14.427 29.891 ( -8.769 5.090 -19.477) 21.958 30.465 ( 12.786 -5.803 7.786) 16.055 30.726 ( -3.300 -1.004 5.325) 6.345 31.132 ( -5.120 0.629 10.070) 11.315 31.192 ( 2.254 0.417 -4.693) 5.223 32.236 ( -9.548 6.895 6.907) 13.653 32.678 ( -3.110 2.790 -10.937) 11.708 34.277 ( 1.324 -0.296 -1.792) 2.248 35.017 ( 9.369 -2.723 6.187) 11.552 45.736 ( -1.566 0.067 -3.642) 3.965 45.880 ( -6.192 1.722 5.309) 8.336 89.014 ( 8.847 -0.871 2.178) 9.153 89.496 ( 4.372 1.181 -4.767) 6.575 89.699 ( -0.359 0.216 -1.880) 1.926 91.219 ( 13.267 8.754 -1.676) 15.983 ======================= Grid point 378 (190/196) ======================= q-point: (-0.10 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -9.270 2.605 -1.421) 9.733 2.378 ( -13.456 7.716 0.748) 15.529 2.717 ( 0.443 4.786 -4.410) 6.523 3.145 ( -5.152 1.743 -0.894) 5.512 3.382 ( -7.174 3.259 1.070) 7.952 3.545 ( -1.538 2.737 -2.540) 4.038 3.842 ( -2.953 0.104 -0.714) 3.040 4.147 ( -0.089 -5.570 6.637) 8.665 4.387 ( -8.853 -3.314 -3.944) 10.243 4.615 ( 0.169 -0.618 5.387) 5.425 4.733 ( -6.778 -5.366 3.315) 9.259 5.643 ( -9.942 -14.552 0.190) 17.625 6.365 ( 6.979 13.909 -11.993) 19.647 6.518 ( 1.594 0.134 3.670) 4.003 7.051 ( -3.042 4.219 -0.011) 5.202 7.357 ( -11.948 -5.089 5.023) 13.924 7.467 ( -0.333 -0.439 5.136) 5.166 8.112 ( -2.082 -5.171 2.902) 6.284 8.517 ( 15.911 0.066 -8.017) 17.817 8.527 ( 4.883 2.254 0.437) 5.396 9.470 ( -3.333 2.648 2.415) 4.894 10.046 ( 3.742 -2.181 1.624) 4.626 10.185 ( -6.017 -0.495 -4.956) 7.811 10.818 ( 0.886 2.361 -0.511) 2.573 11.722 ( 1.861 0.875 1.520) 2.557 11.790 ( 2.414 1.637 -1.491) 3.275 14.891 ( 0.780 1.618 -2.905) 3.416 15.111 ( -1.449 2.523 2.057) 3.563 17.119 ( 0.074 1.022 1.737) 2.017 17.693 ( 1.984 -3.763 0.663) 4.306 17.788 ( -2.114 1.169 -1.189) 2.692 17.954 ( 0.480 -0.167 0.165) 0.535 18.722 ( -1.575 -4.366 0.585) 4.679 18.899 ( 4.552 1.466 -0.818) 4.851 22.734 ( 1.341 -0.831 -0.822) 1.779 23.189 ( 7.708 0.708 1.693) 7.923 28.150 ( 1.345 1.342 0.122) 1.904 28.392 ( 0.507 -2.120 0.624) 2.268 28.855 ( 11.752 1.273 -5.665) 13.108 29.490 ( -12.603 5.517 -16.299) 21.329 30.729 ( -3.192 -0.736 5.807) 6.667 30.794 ( 10.775 -7.390 5.113) 14.031 31.090 ( -5.821 2.060 6.096) 8.677 31.196 ( 3.317 0.692 -3.137) 4.618 32.093 ( -9.130 3.146 10.976) 14.619 32.496 ( -2.894 2.457 -14.962) 15.437 34.291 ( 1.532 -0.009 -1.374) 2.058 35.201 ( 6.783 0.292 4.397) 8.089 45.701 ( -1.015 -0.213 -1.562) 1.875 45.813 ( -4.353 0.088 2.777) 5.164 89.152 ( 4.904 -0.324 1.766) 5.222 89.393 ( -5.253 0.787 -3.871) 6.573 89.769 ( 4.459 0.091 0.116) 4.462 91.187 ( 3.889 11.361 -6.855) 13.827 ======================= Grid point 386 (191/196) ======================= q-point: (-0.30 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -18.162 -0.000 -6.951) 19.447 2.689 ( 0.381 0.000 -12.296) 12.302 2.995 ( -13.862 -0.000 11.053) 17.729 3.209 ( 1.100 0.000 -1.933) 2.224 3.575 ( -5.705 -0.000 5.130) 7.672 3.831 ( -1.925 -0.000 -9.816) 10.003 3.925 ( -1.406 -0.000 0.102) 1.410 3.971 ( -10.382 -0.000 2.945) 10.792 4.331 ( -12.387 -0.000 -2.235) 12.587 4.597 ( 2.918 0.000 5.907) 6.589 5.105 ( -16.195 -0.000 2.438) 16.377 5.212 ( -11.758 -0.000 1.188) 11.818 6.361 ( 11.856 0.000 5.777) 13.189 6.751 ( 25.151 0.000 -20.152) 32.228 7.132 ( 5.260 0.000 8.528) 10.020 7.242 ( -15.978 -0.000 -2.065) 16.111 7.582 ( -7.174 -0.000 11.984) 13.967 7.840 ( 10.040 0.000 3.548) 10.649 8.353 ( 3.444 0.000 -4.390) 5.580 8.506 ( 2.721 0.000 -1.879) 3.306 9.630 ( -11.974 -0.000 5.660) 13.245 9.943 ( 5.070 0.000 -3.413) 6.111 10.355 ( -10.611 -0.000 -6.596) 12.494 10.816 ( 7.254 0.000 1.611) 7.431 11.695 ( 2.435 0.000 1.670) 2.952 11.791 ( 3.325 0.000 -1.456) 3.630 14.985 ( -4.476 -0.000 -5.105) 6.789 15.187 ( -1.948 -0.000 4.421) 4.831 17.144 ( -1.742 -0.000 4.220) 4.566 17.538 ( 2.865 0.000 -0.266) 2.878 17.870 ( -1.758 -0.000 0.003) 1.758 17.929 ( 2.614 0.000 -1.568) 3.048 18.553 ( 7.971 0.000 -0.048) 7.971 18.800 ( 10.813 0.000 0.299) 10.817 22.707 ( -0.298 -0.000 -0.698) 0.759 23.023 ( 8.890 0.000 1.753) 9.061 28.163 ( 1.691 0.000 0.715) 1.836 28.304 ( 1.694 0.000 0.281) 1.717 28.730 ( 10.744 0.000 -9.875) 14.593 29.958 ( -5.735 -0.000 -21.438) 22.192 30.389 ( 11.318 0.000 8.286) 14.027 30.714 ( -2.838 -0.000 5.668) 6.339 31.139 ( -5.144 -0.000 11.395) 12.503 31.197 ( 2.991 0.000 -6.032) 6.733 32.334 ( -10.850 -0.000 1.559) 10.961 32.717 ( -4.914 -0.000 -4.933) 6.962 34.271 ( 1.697 0.000 -2.841) 3.309 34.979 ( 11.065 0.000 6.832) 13.005 45.735 ( -2.136 -0.000 -4.162) 4.678 45.904 ( -7.253 -0.000 5.963) 9.389 89.003 ( 8.938 0.000 2.441) 9.266 89.513 ( 6.118 0.000 -5.376) 8.144 89.703 ( -2.222 -0.000 -2.324) 3.215 91.344 ( 16.378 0.000 -3.076) 16.665 ======================= Grid point 387 (192/196) ======================= q-point: (-0.20 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -14.242 2.017 2.158) 14.545 2.533 ( -13.335 2.971 -1.627) 13.759 2.874 ( -2.257 5.758 0.713) 6.226 3.186 ( -2.642 0.259 -3.984) 4.787 3.436 ( -11.157 4.435 5.954) 13.402 3.687 ( -6.309 3.349 -6.570) 9.705 3.834 ( -8.260 0.021 3.751) 9.072 3.956 ( -3.231 -8.256 -0.458) 8.878 4.223 ( -6.372 -5.693 -1.286) 8.641 4.669 ( 0.759 -0.634 4.098) 4.215 4.754 ( -14.206 11.354 5.921) 19.125 5.212 ( -11.765 -17.149 -0.549) 20.804 6.505 ( 0.460 -0.441 0.620) 0.889 6.738 ( 9.377 13.391 -14.245) 21.684 7.081 ( -6.451 -4.893 -2.150) 8.377 7.220 ( -9.482 -3.271 8.449) 13.114 7.509 ( -8.188 3.339 9.291) 12.826 7.965 ( -2.615 -4.901 2.220) 5.982 8.520 ( 23.008 0.111 -10.340) 25.225 8.563 ( 5.704 0.596 1.955) 6.059 9.545 ( -3.822 2.220 6.645) 7.980 9.979 ( -1.422 -2.045 -2.905) 3.826 10.182 ( -2.163 0.021 -4.371) 4.877 10.866 ( 0.487 1.122 -1.017) 1.591 11.745 ( 2.896 0.648 1.777) 3.460 11.828 ( 3.738 0.931 -1.777) 4.243 14.919 ( 0.950 0.534 -4.672) 4.798 15.186 ( -0.934 2.238 3.537) 4.289 17.153 ( -0.176 1.159 4.319) 4.475 17.590 ( 1.923 -3.033 -0.550) 3.633 17.823 ( -3.037 1.064 -0.793) 3.314 17.948 ( 0.938 -0.259 -1.130) 1.491 18.631 ( -0.437 -2.175 0.964) 2.419 18.917 ( 5.364 0.198 -1.503) 5.574 22.715 ( 1.833 -0.476 -0.982) 2.134 23.204 ( 12.999 0.390 1.976) 13.154 28.191 ( 2.082 1.424 1.131) 2.764 28.337 ( 0.940 -1.712 0.154) 1.959 28.876 ( 16.269 0.397 -5.991) 17.341 29.604 ( -14.230 2.703 -25.742) 29.537 30.652 ( 11.616 -3.035 8.150) 14.511 30.717 ( -3.045 -0.221 6.819) 7.472 31.125 ( -6.673 0.657 9.452) 11.589 31.207 ( 4.416 0.210 -5.727) 7.235 32.157 ( -13.070 1.234 3.400) 13.561 32.568 ( -7.677 2.329 -5.927) 9.974 34.288 ( 3.203 -0.020 -2.794) 4.251 35.204 ( 12.124 -0.070 4.762) 13.026 45.686 ( -0.917 -0.513 -3.691) 3.838 45.826 ( -7.841 0.482 5.234) 9.440 89.149 ( 7.282 0.025 3.076) 7.905 89.405 ( -8.461 0.196 -5.709) 10.208 89.772 ( 6.700 0.090 -0.476) 6.718 91.452 ( 9.850 6.848 -12.985) 17.678 ======================= Grid point 388 (193/196) ======================= q-point: (-0.10 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -8.322 1.307 13.773) 16.145 2.230 ( -19.033 3.951 5.243) 20.133 2.789 ( 3.257 8.343 -5.575) 10.549 3.049 ( -6.700 1.114 -5.221) 8.567 3.284 ( -10.797 0.801 2.803) 11.183 3.526 ( -3.982 -1.226 -3.728) 5.591 3.763 ( -6.806 -1.204 4.015) 7.993 4.036 ( -5.442 -13.363 1.298) 14.487 4.235 ( -1.069 -4.093 3.156) 5.278 4.517 ( -14.417 1.019 7.011) 16.064 4.709 ( 0.379 0.407 3.309) 3.356 5.252 ( -11.727 -17.983 -2.021) 21.564 6.352 ( -8.568 1.454 -8.540) 12.184 6.703 ( 8.461 9.230 -1.292) 12.587 7.015 ( -10.370 1.404 3.443) 11.017 7.085 ( -12.041 -1.420 0.738) 12.147 7.462 ( -1.259 -1.891 2.335) 3.258 7.936 ( -11.505 -6.735 2.324) 13.532 8.640 ( 3.292 2.317 3.716) 5.479 8.755 ( 17.536 1.922 -12.129) 21.409 9.534 ( 0.933 4.239 3.942) 5.863 9.861 ( -8.968 -4.160 -6.726) 11.957 10.324 ( 16.184 0.177 3.877) 16.643 10.802 ( -4.058 1.563 -3.730) 5.729 11.785 ( 2.501 1.585 1.516) 3.327 11.849 ( 3.511 2.130 -1.817) 4.491 14.927 ( 5.400 0.847 -4.103) 6.834 15.144 ( -2.335 3.525 2.553) 4.940 17.172 ( 1.751 2.168 3.481) 4.459 17.661 ( 1.043 -4.686 -0.412) 4.819 17.752 ( -3.296 1.075 -0.995) 3.607 17.947 ( -0.624 -0.385 -0.676) 0.998 18.603 ( -8.669 -2.954 1.084) 9.222 18.922 ( -1.777 1.116 -3.353) 3.955 22.755 ( 3.448 -0.370 -0.858) 3.572 23.390 ( 12.985 4.385 0.555) 13.717 28.202 ( 1.801 2.364 0.663) 3.045 28.370 ( -0.362 -2.155 0.225) 2.197 28.932 ( -8.536 8.301 -11.372) 16.465 29.310 ( 7.636 -5.297 -8.765) 12.774 30.716 ( -5.770 0.063 8.663) 10.409 30.892 ( 6.458 -2.465 4.617) 8.312 31.073 ( -3.651 0.635 4.311) 5.684 31.241 ( 5.966 0.089 -5.364) 8.023 31.996 ( -14.001 -2.411 7.721) 16.170 32.363 ( -6.969 2.503 -9.349) 11.926 34.320 ( 4.212 0.998 -2.299) 4.901 35.372 ( 9.040 3.825 1.558) 9.939 45.666 ( -0.533 -1.047 -2.269) 2.555 45.751 ( -5.935 -0.956 3.159) 6.791 89.162 ( -7.640 2.487 -1.109) 8.111 89.339 ( 2.907 -2.921 2.082) 4.618 89.815 ( 0.902 2.029 -2.431) 3.292 91.238 ( -5.388 11.774 -20.654) 24.377 ======================= Grid point 397 (194/196) ======================= q-point: (-0.20 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -10.093 -0.000 14.309) 17.511 2.301 ( -22.795 -0.000 8.077) 24.183 2.956 ( 7.512 0.000 -5.086) 9.072 3.097 ( -5.327 -0.000 -4.929) 7.258 3.280 ( -19.190 -0.000 5.992) 20.103 3.474 ( -13.082 -0.000 -7.839) 15.251 3.772 ( -7.296 -0.000 7.780) 10.666 3.795 ( -6.344 -0.000 -3.917) 7.456 4.179 ( 1.305 0.000 3.393) 3.635 4.642 ( -20.780 -0.000 12.900) 24.458 4.687 ( -2.664 -0.000 2.234) 3.476 4.923 ( -4.516 -0.000 -5.216) 6.900 6.360 ( -12.962 -0.000 -8.103) 15.286 6.908 ( 9.650 0.000 -16.919) 19.477 7.010 ( -18.581 -0.000 7.934) 20.204 7.020 ( 3.221 0.000 9.070) 9.624 7.470 ( -6.926 -0.000 5.814) 9.043 7.815 ( -12.057 -0.000 0.170) 12.058 8.673 ( 3.024 0.000 5.877) 6.609 8.774 ( 18.674 0.000 -13.917) 23.290 9.615 ( 2.953 0.000 7.514) 8.073 9.787 ( -11.107 -0.000 -10.140) 15.040 10.325 ( 17.774 0.000 3.193) 18.058 10.824 ( -4.265 -0.000 -3.975) 5.830 11.808 ( 2.826 0.000 1.762) 3.330 11.879 ( 3.986 0.000 -1.970) 4.446 14.937 ( 5.599 0.000 -4.797) 7.373 15.204 ( -2.312 -0.000 2.278) 3.246 17.211 ( 1.764 0.000 5.692) 5.959 17.581 ( 1.009 0.000 -1.637) 1.923 17.771 ( -3.749 -0.000 -0.559) 3.790 17.940 ( -0.421 -0.000 -1.309) 1.375 18.561 ( -8.124 -0.000 1.442) 8.251 18.933 ( -0.683 -0.000 -4.484) 4.536 22.749 ( 3.953 0.000 -0.811) 4.035 23.452 ( 17.100 0.000 0.364) 17.104 28.245 ( 2.223 0.000 1.360) 2.606 28.330 ( -0.234 -0.000 -0.369) 0.437 29.134 ( 21.006 0.000 -2.183) 21.119 29.152 ( -22.362 -0.000 -24.810) 33.400 30.717 ( -5.368 -0.000 9.350) 10.781 30.852 ( 10.857 0.000 5.326) 12.093 31.085 ( -7.569 -0.000 7.842) 10.899 31.242 ( 5.990 0.000 -6.470) 8.817 31.958 ( -16.029 -0.000 2.446) 16.215 32.408 ( -10.994 -0.000 -3.813) 11.636 34.338 ( 5.839 0.000 -2.299) 6.275 35.423 ( 13.508 0.000 0.477) 13.516 45.647 ( -0.005 -0.000 -3.793) 3.793 45.744 ( -8.282 -0.000 4.887) 9.616 89.217 ( -11.471 -0.000 -2.985) 11.853 89.277 ( 5.698 0.000 4.109) 7.025 89.840 ( 3.548 0.000 -2.903) 4.584 91.423 ( -1.997 -0.000 -28.048) 28.119 ======================= Grid point 398 (195/196) ======================= q-point: (-0.10 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -6.301 0.116 23.877) 24.695 1.999 ( -24.401 1.147 12.463) 27.423 2.879 ( -9.900 7.399 -5.395) 13.486 2.943 ( 0.446 4.891 -8.048) 9.428 3.117 ( -11.157 -4.864 2.505) 12.426 3.273 ( -10.317 -6.145 -7.117) 13.960 3.690 ( -15.042 -12.723 3.840) 20.072 3.749 ( -5.400 -0.834 6.883) 8.788 4.260 ( 1.160 -0.743 8.318) 8.431 4.426 ( -10.330 5.047 9.452) 14.883 4.662 ( -8.599 -5.861 4.341) 11.275 4.918 ( -0.304 -9.077 -7.533) 11.799 6.112 ( -11.458 -2.529 -8.132) 14.276 6.680 ( -18.494 -0.019 0.499) 18.501 6.998 ( 11.228 7.850 -5.253) 14.672 7.146 ( 4.273 4.783 4.202) 7.668 7.424 ( -1.539 -3.049 1.896) 3.906 7.675 ( -12.313 -7.250 1.660) 14.385 8.699 ( -4.222 1.966 6.059) 7.642 8.861 ( 7.297 0.236 -11.831) 13.902 9.512 ( -11.258 2.762 -8.787) 14.545 9.754 ( 4.409 -2.878 4.500) 6.926 10.644 ( 19.880 1.637 1.110) 19.978 10.692 ( -7.319 0.848 -5.910) 9.446 11.849 ( 1.972 1.211 1.593) 2.810 11.912 ( 3.500 1.410 -1.986) 4.264 15.010 ( 8.992 0.316 -5.024) 10.305 15.148 ( -4.537 2.027 2.175) 5.424 17.277 ( 3.830 2.720 4.750) 6.681 17.607 ( 0.669 -4.087 -1.816) 4.522 17.711 ( -2.819 0.813 -0.478) 2.973 17.920 ( -1.288 -0.377 -1.036) 1.696 18.415 ( -13.677 -1.262 1.442) 13.811 18.814 ( -9.530 0.703 -7.437) 12.108 22.816 ( 5.369 0.118 -0.060) 5.371 23.650 ( 13.088 5.210 -4.874) 14.907 28.261 ( 0.793 2.500 0.408) 2.655 28.327 ( -2.304 -2.014 0.806) 3.164 28.637 ( -20.768 2.167 -10.444) 23.347 29.487 ( 22.509 -3.802 0.273) 22.829 30.651 ( -14.347 0.985 10.241) 17.655 30.998 ( 1.769 2.930 4.656) 5.779 31.076 ( 4.157 -2.678 1.382) 5.135 31.290 ( 6.691 -0.307 -6.843) 9.575 31.755 ( -17.206 -4.341 5.478) 18.572 32.203 ( -10.312 0.783 -4.969) 11.474 34.420 ( 8.164 1.906 -0.853) 8.427 35.562 ( 9.357 4.674 -5.096) 11.635 45.630 ( -0.402 -0.640 -2.426) 2.541 45.667 ( -5.953 -1.419 2.936) 6.787 89.017 ( -12.054 0.998 -0.865) 12.126 89.392 ( 3.477 -2.027 4.657) 6.155 89.821 ( -0.530 3.391 -5.332) 6.341 90.947 ( -23.371 5.695 -35.155) 42.597 ======================= Grid point 408 (196/196) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -27.159 -0.000 19.321) 33.331 1.958 ( -11.893 -0.000 22.475) 25.428 2.660 ( -20.801 -0.000 -0.725) 20.813 2.752 ( -5.857 -0.000 -15.179) 16.269 3.105 ( -8.232 -0.000 4.695) 9.477 3.116 ( 3.235 0.000 -3.188) 4.542 3.261 ( -23.557 -0.000 8.251) 24.960 3.779 ( 0.274 0.000 5.516) 5.523 4.310 ( -2.704 -0.000 6.526) 7.064 4.469 ( -7.815 -0.000 -0.028) 7.815 4.510 ( 3.331 0.000 13.006) 13.426 4.845 ( 3.877 0.000 -9.452) 10.217 5.900 ( -6.624 -0.000 -4.927) 8.256 6.457 ( -8.569 -0.000 -4.409) 9.636 7.195 ( 11.927 0.000 -10.794) 16.086 7.298 ( -5.347 -0.000 15.684) 16.570 7.385 ( 2.729 0.000 0.172) 2.734 7.482 ( -1.622 -0.000 -0.824) 1.820 8.648 ( -10.535 -0.000 7.041) 12.671 8.850 ( 3.020 0.000 -10.376) 10.807 9.270 ( -13.354 -0.000 -5.791) 14.555 9.830 ( 1.582 0.000 2.547) 2.998 10.545 ( -5.707 -0.000 -5.632) 8.018 10.882 ( 9.183 0.000 -3.993) 10.014 11.894 ( 1.283 0.000 1.783) 2.197 11.955 ( 2.853 0.000 -2.018) 3.494 15.103 ( -5.112 -0.000 3.973) 6.475 15.122 ( 10.601 0.000 -5.998) 12.180 17.407 ( 5.646 0.000 4.184) 7.028 17.570 ( 1.711 0.000 -3.449) 3.850 17.683 ( -1.421 -0.000 -0.161) 1.430 17.892 ( -0.819 -0.000 -1.157) 1.418 18.199 ( -15.209 -0.000 1.866) 15.323 18.528 ( -20.875 -0.000 -9.561) 22.960 22.913 ( 6.657 0.000 1.278) 6.778 23.744 ( 1.075 0.000 -12.731) 12.776 28.268 ( -1.329 -0.000 9.427) 9.520 28.312 ( 1.079 0.000 0.556) 1.214 28.408 ( -5.443 -0.000 0.215) 5.447 29.809 ( 21.372 0.000 0.976) 21.394 30.445 ( -22.706 -0.000 8.685) 24.310 31.056 ( -0.788 -0.000 6.881) 6.926 31.152 ( 6.016 0.000 -5.438) 8.110 31.328 ( 5.661 0.000 -8.637) 10.327 31.515 ( -14.677 -0.000 9.218) 17.332 32.017 ( -9.983 -0.000 -3.945) 10.734 34.584 ( 10.866 0.000 2.187) 11.084 35.637 ( 3.275 0.000 -12.312) 12.740 45.586 ( -6.372 -0.000 4.565) 7.839 45.612 ( 1.501 0.000 -4.249) 4.506 88.843 ( -10.606 -0.000 -0.481) 10.617 89.441 ( -0.269 -0.000 3.896) 3.905 89.809 ( 0.754 0.000 -6.805) 6.847 90.187 ( -43.333 -0.000 -32.016) 53.877 =================== 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 3/37800 10.0 143.592 159.100 144.918 -0.000 -19.570 -0.000 3/37800 20.0 48.482 40.252 33.280 -0.000 -5.652 0.000 3/37800 30.0 25.285 21.122 15.624 -0.000 -2.451 0.000 3/37800 40.0 16.665 14.093 9.881 -0.000 -1.513 0.000 3/37800 50.0 12.224 10.355 7.153 -0.000 -1.097 0.000 3/37800 60.0 9.565 8.065 5.572 -0.000 -0.864 0.000 3/37800 70.0 7.830 6.552 4.549 -0.000 -0.715 0.000 3/37800 80.0 6.626 5.495 3.841 -0.000 -0.610 0.000 3/37800 90.0 5.751 4.725 3.325 -0.000 -0.531 0.000 3/37800 100.0 5.090 4.142 2.933 -0.000 -0.470 0.000 3/37800 110.0 4.575 3.687 2.627 -0.000 -0.421 0.000 3/37800 120.0 4.163 3.323 2.380 -0.000 -0.381 0.000 3/37800 130.0 3.827 3.026 2.179 -0.000 -0.347 0.000 3/37800 140.0 3.547 2.779 2.011 -0.000 -0.319 0.000 3/37800 150.0 3.312 2.571 1.868 -0.000 -0.295 0.000 3/37800 160.0 3.110 2.394 1.747 -0.000 -0.274 0.000 3/37800 170.0 2.936 2.240 1.642 -0.000 -0.256 0.000 3/37800 180.0 2.784 2.106 1.551 -0.000 -0.240 0.000 3/37800 190.0 2.651 1.989 1.472 -0.000 -0.226 0.000 3/37800 200.0 2.532 1.885 1.402 -0.000 -0.214 0.000 3/37800 210.0 2.427 1.792 1.340 -0.000 -0.203 0.000 3/37800 220.0 2.332 1.709 1.285 -0.000 -0.193 0.000 3/37800 230.0 2.246 1.634 1.236 -0.000 -0.185 0.000 3/37800 240.0 2.168 1.567 1.193 -0.000 -0.177 0.000 3/37800 250.0 2.097 1.505 1.153 -0.000 -0.170 0.000 3/37800 260.0 2.031 1.449 1.118 -0.000 -0.164 0.000 3/37800 270.0 1.971 1.397 1.086 -0.000 -0.158 0.000 3/37800 280.0 1.915 1.350 1.056 -0.000 -0.154 0.000 3/37800 290.0 1.863 1.306 1.030 -0.000 -0.149 0.000 3/37800 300.0 1.815 1.265 1.005 -0.000 -0.145 0.000 3/37800 310.0 1.770 1.227 0.983 -0.000 -0.142 0.000 3/37800 320.0 1.727 1.192 0.962 -0.000 -0.139 0.000 3/37800 330.0 1.687 1.159 0.942 -0.000 -0.136 0.000 3/37800 340.0 1.650 1.128 0.924 -0.000 -0.133 0.000 3/37800 350.0 1.614 1.099 0.907 -0.000 -0.131 0.000 3/37800 360.0 1.580 1.071 0.891 -0.000 -0.129 0.000 3/37800 370.0 1.548 1.046 0.876 -0.000 -0.127 0.000 3/37800 380.0 1.517 1.021 0.862 -0.000 -0.125 0.000 3/37800 390.0 1.488 0.998 0.848 -0.000 -0.123 0.000 3/37800 400.0 1.460 0.976 0.835 -0.000 -0.121 0.000 3/37800 410.0 1.433 0.955 0.823 -0.000 -0.120 0.000 3/37800 420.0 1.407 0.935 0.811 -0.000 -0.118 0.000 3/37800 430.0 1.382 0.916 0.800 -0.000 -0.117 0.000 3/37800 440.0 1.358 0.897 0.789 -0.000 -0.116 0.000 3/37800 450.0 1.335 0.880 0.778 -0.000 -0.115 0.000 3/37800 460.0 1.313 0.863 0.768 -0.000 -0.113 0.000 3/37800 470.0 1.291 0.847 0.758 -0.000 -0.112 0.000 3/37800 480.0 1.271 0.832 0.748 -0.000 -0.111 0.000 3/37800 490.0 1.251 0.817 0.739 -0.000 -0.110 0.000 3/37800 500.0 1.231 0.802 0.730 -0.000 -0.109 0.000 3/37800 510.0 1.213 0.789 0.721 -0.000 -0.108 0.000 3/37800 520.0 1.194 0.775 0.712 -0.000 -0.107 0.000 3/37800 530.0 1.177 0.763 0.704 -0.000 -0.106 0.000 3/37800 540.0 1.160 0.750 0.695 -0.000 -0.105 0.000 3/37800 550.0 1.143 0.738 0.687 -0.000 -0.105 0.000 3/37800 560.0 1.127 0.727 0.680 -0.000 -0.104 0.000 3/37800 570.0 1.111 0.715 0.672 -0.000 -0.103 0.000 3/37800 580.0 1.096 0.705 0.664 -0.000 -0.102 0.000 3/37800 590.0 1.081 0.694 0.657 -0.000 -0.101 0.000 3/37800 600.0 1.067 0.684 0.650 -0.000 -0.100 0.000 3/37800 610.0 1.053 0.674 0.643 -0.000 -0.099 0.000 3/37800 620.0 1.039 0.664 0.636 -0.000 -0.099 0.000 3/37800 630.0 1.026 0.655 0.629 -0.000 -0.098 0.000 3/37800 640.0 1.013 0.646 0.622 -0.000 -0.097 0.000 3/37800 650.0 1.000 0.637 0.616 -0.000 -0.096 0.000 3/37800 660.0 0.988 0.628 0.609 -0.000 -0.095 0.000 3/37800 670.0 0.976 0.620 0.603 -0.000 -0.095 0.000 3/37800 680.0 0.964 0.612 0.597 -0.000 -0.094 0.000 3/37800 690.0 0.952 0.604 0.591 -0.000 -0.093 0.000 3/37800 700.0 0.941 0.596 0.585 -0.000 -0.092 0.000 3/37800 710.0 0.930 0.589 0.579 -0.000 -0.091 0.000 3/37800 720.0 0.919 0.582 0.574 -0.000 -0.091 0.000 3/37800 730.0 0.909 0.574 0.568 -0.000 -0.090 0.000 3/37800 740.0 0.899 0.567 0.562 -0.000 -0.089 0.000 3/37800 750.0 0.889 0.561 0.557 -0.000 -0.088 0.000 3/37800 760.0 0.879 0.554 0.552 -0.000 -0.088 0.000 3/37800 770.0 0.869 0.548 0.546 -0.000 -0.087 0.000 3/37800 780.0 0.860 0.541 0.541 -0.000 -0.086 0.000 3/37800 790.0 0.851 0.535 0.536 -0.000 -0.086 0.000 3/37800 800.0 0.842 0.529 0.531 -0.000 -0.085 0.000 3/37800 810.0 0.833 0.523 0.526 -0.000 -0.084 0.000 3/37800 820.0 0.824 0.517 0.522 -0.000 -0.084 0.000 3/37800 830.0 0.816 0.512 0.517 -0.000 -0.083 0.000 3/37800 840.0 0.808 0.506 0.512 -0.000 -0.082 0.000 3/37800 850.0 0.800 0.501 0.508 -0.000 -0.082 0.000 3/37800 860.0 0.792 0.495 0.503 -0.000 -0.081 0.000 3/37800 870.0 0.784 0.490 0.499 -0.000 -0.080 0.000 3/37800 880.0 0.776 0.485 0.494 -0.000 -0.080 0.000 3/37800 890.0 0.769 0.480 0.490 -0.000 -0.079 0.000 3/37800 900.0 0.762 0.475 0.486 -0.000 -0.078 0.000 3/37800 910.0 0.754 0.471 0.482 -0.000 -0.078 0.000 3/37800 920.0 0.747 0.466 0.478 -0.000 -0.077 0.000 3/37800 930.0 0.740 0.461 0.474 -0.000 -0.077 0.000 3/37800 940.0 0.734 0.457 0.470 -0.000 -0.076 0.000 3/37800 950.0 0.727 0.453 0.466 -0.000 -0.075 0.000 3/37800 960.0 0.720 0.448 0.462 -0.000 -0.075 0.000 3/37800 970.0 0.714 0.444 0.458 -0.000 -0.074 0.000 3/37800 980.0 0.708 0.440 0.455 -0.000 -0.074 0.000 3/37800 990.0 0.701 0.436 0.451 -0.000 -0.073 0.000 3/37800 1000.0 0.695 0.432 0.447 -0.000 -0.072 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:12:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|