----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:25:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.894166320000000 6.155889069999999 b 2.935238925000000 0.000000000000000 6.155889069999999 c 2.935238925000000 4.894166320000000 0.000000000000000 Atomic positions (fractional): *1 O 0.91790128259148 0.44547765178849 0.76171768449938 15.999 2 O 0.87490338112064 0.76171768449938 0.44547765178849 15.999 3 O 0.76171768449938 0.87490338112064 0.91790128259148 15.999 4 O 0.44547765178849 0.91790128259148 0.87490338112064 15.999 5 O 0.33209871740852 0.80452234821151 0.48828231550062 15.999 6 O 0.37509661887936 0.48828231550062 0.80452234821151 15.999 7 O 0.80452234821151 0.33209871740852 0.37509661887936 15.999 8 O 0.48828231550062 0.37509661887936 0.33209871740852 15.999 *9 Na 0.81508600716619 0.18491399283381 0.81508600716619 22.990 10 Na 0.18491399283381 0.81508600716619 0.18491399283381 22.990 11 Na 0.06508600716619 0.43491399283381 0.06508600716619 22.990 12 Na 0.43491399283381 0.06508600716619 0.43491399283381 22.990 *13 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 14 S 0.75000000000000 0.75000000000000 0.75000000000000 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.870477850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.788332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.311778139999998 Atomic positions (fractional): *1 O 0.60359766814394 0.33980948354543 0.18168946718999 15.999 > 1 2 O 0.60359766814394 0.16019051645457 0.31831053281001 15.999 > 2 3 O 0.89640233185606 0.33980948354543 0.31831053281001 15.999 > 3 4 O 0.89640233185606 0.16019051645457 0.18168946718999 15.999 > 4 5 O 0.64640233185606 0.91019051645457 0.06831053281001 15.999 > 5 6 O 0.14640233185606 0.08980948354543 0.43168946718999 15.999 > 6 7 O 0.35359766814394 0.08980948354543 0.06831053281001 15.999 > 7 8 O 0.85359766814394 0.91019051645457 0.43168946718999 15.999 > 8 9 O 0.60359766814394 0.83980948354543 0.68168946718999 15.999 > 1 10 O 0.60359766814394 0.66019051645457 0.81831053281001 15.999 > 2 11 O 0.89640233185606 0.83980948354543 0.81831053281001 15.999 > 3 12 O 0.89640233185606 0.66019051645457 0.68168946718999 15.999 > 4 13 O 0.64640233185606 0.41019051645457 0.56831053281001 15.999 > 5 14 O 0.14640233185606 0.58980948354543 0.93168946718999 15.999 > 6 15 O 0.35359766814394 0.58980948354543 0.56831053281001 15.999 > 7 16 O 0.85359766814394 0.41019051645457 0.93168946718999 15.999 > 8 17 O 0.10359766814394 0.33980948354543 0.68168946718999 15.999 > 1 18 O 0.10359766814394 0.16019051645457 0.81831053281001 15.999 > 2 19 O 0.39640233185606 0.33980948354543 0.81831053281001 15.999 > 3 20 O 0.39640233185606 0.16019051645457 0.68168946718999 15.999 > 4 21 O 0.14640233185606 0.91019051645457 0.56831053281001 15.999 > 5 22 O 0.64640233185606 0.08980948354543 0.93168946718999 15.999 > 6 23 O 0.85359766814394 0.08980948354543 0.56831053281001 15.999 > 7 24 O 0.35359766814394 0.91019051645457 0.93168946718999 15.999 > 8 25 O 0.10359766814394 0.83980948354543 0.18168946718999 15.999 > 1 26 O 0.10359766814394 0.66019051645457 0.31831053281001 15.999 > 2 27 O 0.39640233185606 0.83980948354543 0.31831053281001 15.999 > 3 28 O 0.39640233185606 0.66019051645457 0.18168946718999 15.999 > 4 29 O 0.14640233185606 0.41019051645457 0.06831053281001 15.999 > 5 30 O 0.64640233185606 0.58980948354543 0.43168946718999 15.999 > 6 31 O 0.85359766814394 0.58980948354543 0.06831053281001 15.999 > 7 32 O 0.35359766814394 0.41019051645457 0.43168946718999 15.999 > 8 *33 Na 0.50000000000000 0.31508600716619 0.00000000000000 22.990 > 9 34 Na 0.50000000000000 0.68491399283381 0.00000000000000 22.990 > 10 35 Na 0.75000000000000 0.56508600716619 0.25000000000000 22.990 > 11 36 Na 0.75000000000000 0.93491399283381 0.25000000000000 22.990 > 12 37 Na 0.50000000000000 0.81508600716619 0.50000000000000 22.990 > 9 38 Na 0.50000000000000 0.18491399283381 0.50000000000000 22.990 > 10 39 Na 0.75000000000000 0.06508600716619 0.75000000000000 22.990 > 11 40 Na 0.75000000000000 0.43491399283381 0.75000000000000 22.990 > 12 41 Na 0.00000000000000 0.31508600716619 0.50000000000000 22.990 > 9 42 Na 0.00000000000000 0.68491399283381 0.50000000000000 22.990 > 10 43 Na 0.25000000000000 0.56508600716619 0.75000000000000 22.990 > 11 44 Na 0.25000000000000 0.93491399283381 0.75000000000000 22.990 > 12 45 Na 0.00000000000000 0.81508600716619 0.00000000000000 22.990 > 9 46 Na 0.00000000000000 0.18491399283381 0.00000000000000 22.990 > 10 47 Na 0.25000000000000 0.06508600716619 0.25000000000000 22.990 > 11 48 Na 0.25000000000000 0.43491399283381 0.25000000000000 22.990 > 12 *49 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 13 50 S 0.75000000000000 0.25000000000000 0.25000000000000 32.065 > 14 51 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 13 52 S 0.75000000000000 0.75000000000000 0.75000000000000 32.065 > 14 53 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 13 54 S 0.25000000000000 0.25000000000000 0.75000000000000 32.065 > 14 55 S 0.00000000000000 0.50000000000000 0.00000000000000 32.065 > 13 56 S 0.25000000000000 0.75000000000000 0.25000000000000 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.740955700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.788332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.311778139999998 Atomic positions (fractional): *1 O 0.30179883407197 0.33980948354543 0.18168946718999 15.999 > 1 2 O 0.80179883407197 0.33980948354543 0.18168946718999 15.999 > 1 3 O 0.30179883407197 0.16019051645457 0.31831053281001 15.999 > 2 4 O 0.80179883407197 0.16019051645457 0.31831053281001 15.999 > 2 5 O 0.44820116592803 0.33980948354543 0.31831053281001 15.999 > 3 6 O 0.94820116592803 0.33980948354543 0.31831053281001 15.999 > 3 7 O 0.44820116592803 0.16019051645457 0.18168946718999 15.999 > 4 8 O 0.94820116592803 0.16019051645457 0.18168946718999 15.999 > 4 9 O 0.32320116592803 0.91019051645457 0.06831053281001 15.999 > 5 10 O 0.82320116592803 0.91019051645457 0.06831053281001 15.999 > 5 11 O 0.07320116592803 0.08980948354543 0.43168946718999 15.999 > 6 12 O 0.57320116592803 0.08980948354543 0.43168946718999 15.999 > 6 13 O 0.17679883407197 0.08980948354543 0.06831053281001 15.999 > 7 14 O 0.67679883407197 0.08980948354543 0.06831053281001 15.999 > 7 15 O 0.42679883407197 0.91019051645457 0.43168946718999 15.999 > 8 16 O 0.92679883407197 0.91019051645457 0.43168946718999 15.999 > 8 17 O 0.30179883407197 0.83980948354543 0.68168946718999 15.999 > 1 18 O 0.80179883407197 0.83980948354543 0.68168946718999 15.999 > 1 19 O 0.30179883407197 0.66019051645457 0.81831053281001 15.999 > 2 20 O 0.80179883407197 0.66019051645457 0.81831053281001 15.999 > 2 21 O 0.44820116592803 0.83980948354543 0.81831053281001 15.999 > 3 22 O 0.94820116592803 0.83980948354543 0.81831053281001 15.999 > 3 23 O 0.44820116592803 0.66019051645457 0.68168946718999 15.999 > 4 24 O 0.94820116592803 0.66019051645457 0.68168946718999 15.999 > 4 25 O 0.32320116592803 0.41019051645457 0.56831053281001 15.999 > 5 26 O 0.82320116592803 0.41019051645457 0.56831053281001 15.999 > 5 27 O 0.07320116592803 0.58980948354543 0.93168946718999 15.999 > 6 28 O 0.57320116592803 0.58980948354543 0.93168946718999 15.999 > 6 29 O 0.17679883407197 0.58980948354543 0.56831053281001 15.999 > 7 30 O 0.67679883407197 0.58980948354543 0.56831053281001 15.999 > 7 31 O 0.42679883407197 0.41019051645457 0.93168946718999 15.999 > 8 32 O 0.92679883407197 0.41019051645457 0.93168946718999 15.999 > 8 33 O 0.05179883407197 0.33980948354543 0.68168946718999 15.999 > 1 34 O 0.55179883407197 0.33980948354543 0.68168946718999 15.999 > 1 35 O 0.05179883407197 0.16019051645457 0.81831053281001 15.999 > 2 36 O 0.55179883407197 0.16019051645457 0.81831053281001 15.999 > 2 37 O 0.19820116592803 0.33980948354543 0.81831053281001 15.999 > 3 38 O 0.69820116592803 0.33980948354543 0.81831053281001 15.999 > 3 39 O 0.19820116592803 0.16019051645457 0.68168946718999 15.999 > 4 40 O 0.69820116592803 0.16019051645457 0.68168946718999 15.999 > 4 41 O 0.07320116592803 0.91019051645457 0.56831053281001 15.999 > 5 42 O 0.57320116592803 0.91019051645457 0.56831053281001 15.999 > 5 43 O 0.32320116592803 0.08980948354543 0.93168946718999 15.999 > 6 44 O 0.82320116592803 0.08980948354543 0.93168946718999 15.999 > 6 45 O 0.42679883407197 0.08980948354543 0.56831053281001 15.999 > 7 46 O 0.92679883407197 0.08980948354543 0.56831053281001 15.999 > 7 47 O 0.17679883407197 0.91019051645457 0.93168946718999 15.999 > 8 48 O 0.67679883407197 0.91019051645457 0.93168946718999 15.999 > 8 49 O 0.05179883407197 0.83980948354543 0.18168946718999 15.999 > 1 50 O 0.55179883407197 0.83980948354543 0.18168946718999 15.999 > 1 51 O 0.05179883407197 0.66019051645457 0.31831053281001 15.999 > 2 52 O 0.55179883407197 0.66019051645457 0.31831053281001 15.999 > 2 53 O 0.19820116592803 0.83980948354543 0.31831053281001 15.999 > 3 54 O 0.69820116592803 0.83980948354543 0.31831053281001 15.999 > 3 55 O 0.19820116592803 0.66019051645457 0.18168946718999 15.999 > 4 56 O 0.69820116592803 0.66019051645457 0.18168946718999 15.999 > 4 57 O 0.07320116592803 0.41019051645457 0.06831053281001 15.999 > 5 58 O 0.57320116592803 0.41019051645457 0.06831053281001 15.999 > 5 59 O 0.32320116592803 0.58980948354543 0.43168946718999 15.999 > 6 60 O 0.82320116592803 0.58980948354543 0.43168946718999 15.999 > 6 61 O 0.42679883407197 0.58980948354543 0.06831053281001 15.999 > 7 62 O 0.92679883407197 0.58980948354543 0.06831053281001 15.999 > 7 63 O 0.17679883407197 0.41019051645457 0.43168946718999 15.999 > 8 64 O 0.67679883407197 0.41019051645457 0.43168946718999 15.999 > 8 *65 Na 0.25000000000000 0.31508600716619 0.00000000000000 22.990 > 9 66 Na 0.75000000000000 0.31508600716619 0.00000000000000 22.990 > 9 67 Na 0.25000000000000 0.68491399283381 0.00000000000000 22.990 > 10 68 Na 0.75000000000000 0.68491399283381 0.00000000000000 22.990 > 10 69 Na 0.37500000000000 0.56508600716619 0.25000000000000 22.990 > 11 70 Na 0.87500000000000 0.56508600716619 0.25000000000000 22.990 > 11 71 Na 0.37500000000000 0.93491399283381 0.25000000000000 22.990 > 12 72 Na 0.87500000000000 0.93491399283381 0.25000000000000 22.990 > 12 73 Na 0.25000000000000 0.81508600716619 0.50000000000000 22.990 > 9 74 Na 0.75000000000000 0.81508600716619 0.50000000000000 22.990 > 9 75 Na 0.25000000000000 0.18491399283381 0.50000000000000 22.990 > 10 76 Na 0.75000000000000 0.18491399283381 0.50000000000000 22.990 > 10 77 Na 0.37500000000000 0.06508600716619 0.75000000000000 22.990 > 11 78 Na 0.87500000000000 0.06508600716619 0.75000000000000 22.990 > 11 79 Na 0.37500000000000 0.43491399283381 0.75000000000000 22.990 > 12 80 Na 0.87500000000000 0.43491399283381 0.75000000000000 22.990 > 12 81 Na 0.00000000000000 0.31508600716619 0.50000000000000 22.990 > 9 82 Na 0.50000000000000 0.31508600716619 0.50000000000000 22.990 > 9 83 Na 0.00000000000000 0.68491399283381 0.50000000000000 22.990 > 10 84 Na 0.50000000000000 0.68491399283381 0.50000000000000 22.990 > 10 85 Na 0.12500000000000 0.56508600716619 0.75000000000000 22.990 > 11 86 Na 0.62500000000000 0.56508600716619 0.75000000000000 22.990 > 11 87 Na 0.12500000000000 0.93491399283381 0.75000000000000 22.990 > 12 88 Na 0.62500000000000 0.93491399283381 0.75000000000000 22.990 > 12 89 Na 0.00000000000000 0.81508600716619 0.00000000000000 22.990 > 9 90 Na 0.50000000000000 0.81508600716619 0.00000000000000 22.990 > 9 91 Na 0.00000000000000 0.18491399283381 0.00000000000000 22.990 > 10 92 Na 0.50000000000000 0.18491399283381 0.00000000000000 22.990 > 10 93 Na 0.12500000000000 0.06508600716619 0.25000000000000 22.990 > 11 94 Na 0.62500000000000 0.06508600716619 0.25000000000000 22.990 > 11 95 Na 0.12500000000000 0.43491399283381 0.25000000000000 22.990 > 12 96 Na 0.62500000000000 0.43491399283381 0.25000000000000 22.990 > 12 *97 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 13 98 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 13 99 S 0.37500000000000 0.25000000000000 0.25000000000000 32.065 > 14 100 S 0.87500000000000 0.25000000000000 0.25000000000000 32.065 > 14 101 S 0.25000000000000 0.50000000000000 0.50000000000000 32.065 > 13 102 S 0.75000000000000 0.50000000000000 0.50000000000000 32.065 > 13 103 S 0.37500000000000 0.75000000000000 0.75000000000000 32.065 > 14 104 S 0.87500000000000 0.75000000000000 0.75000000000000 32.065 > 14 105 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 13 106 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 13 107 S 0.12500000000000 0.25000000000000 0.75000000000000 32.065 > 14 108 S 0.62500000000000 0.25000000000000 0.75000000000000 32.065 > 14 109 S 0.00000000000000 0.50000000000000 0.00000000000000 32.065 > 13 110 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 13 111 S 0.12500000000000 0.75000000000000 0.25000000000000 32.065 > 14 112 S 0.62500000000000 0.75000000000000 0.25000000000000 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2463233 0.0000000 0.0000000 0.0000000 2.2948267 0.0000000 0.0000000 0.0000000 2.2665364 -------------------------- Born effective charges -------------------------- 1 O -1.2840476 0.3823607 -0.3296772 0.3953760 -1.3683782 0.3248261 -0.3720911 0.3446590 -1.3325709 2 O -1.2840476 -0.3823607 0.3296772 -0.3953760 -1.3683782 0.3248261 0.3720911 0.3446590 -1.3325709 3 O -1.2840476 -0.3823607 -0.3296772 -0.3953760 -1.3683782 -0.3248261 -0.3720911 -0.3446590 -1.3325709 4 O -1.2840476 0.3823607 0.3296772 0.3953760 -1.3683782 -0.3248261 0.3720911 -0.3446590 -1.3325709 5 O -1.2840476 0.3823607 -0.3296772 0.3953760 -1.3683782 0.3248261 -0.3720911 0.3446590 -1.3325709 6 O -1.2840476 -0.3823607 0.3296772 -0.3953760 -1.3683782 0.3248261 0.3720911 0.3446590 -1.3325709 7 O -1.2840476 0.3823607 0.3296772 0.3953760 -1.3683782 -0.3248261 0.3720911 -0.3446590 -1.3325709 8 O -1.2840476 -0.3823607 -0.3296772 -0.3953760 -1.3683782 -0.3248261 -0.3720911 -0.3446590 -1.3325709 9 Na 1.1212861 0.0000000 0.0936923 0.0000000 1.1202617 0.0000000 0.1290690 0.0000000 1.0989248 10 Na 1.1212861 0.0000000 -0.0936923 0.0000000 1.1202617 0.0000000 -0.1290690 0.0000000 1.0989248 11 Na 1.1212861 0.0000000 -0.0936923 0.0000000 1.1202617 0.0000000 -0.1290690 0.0000000 1.0989248 12 Na 1.1212861 0.0000000 0.0936923 0.0000000 1.1202617 0.0000000 0.1290690 0.0000000 1.0989248 13 S 2.8936184 0.0000000 0.0000000 0.0000000 3.2329894 0.0000000 0.0000000 0.0000000 3.1324342 14 S 2.8936184 0.0000000 0.0000000 0.0000000 3.2329894 0.0000000 0.0000000 0.0000000 3.1324342 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.012 Solver_block: 200 / 240 - Time: 1.052 Solver_block: 240 / 240 - Time: 0.482 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.562 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:26:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:26:02]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.894166320000000 6.155889069999999 b 2.935238925000000 0.000000000000000 6.155889069999999 c 2.935238925000000 4.894166320000000 0.000000000000000 Atomic positions (fractional): 1 O 0.91790128259148 0.44547765178849 0.76171768449938 15.999 2 O 0.87490338112064 0.76171768449938 0.44547765178849 15.999 3 O 0.76171768449938 0.87490338112064 0.91790128259148 15.999 4 O 0.44547765178849 0.91790128259148 0.87490338112064 15.999 5 O 0.33209871740852 0.80452234821151 0.48828231550062 15.999 6 O 0.37509661887936 0.48828231550062 0.80452234821151 15.999 7 O 0.80452234821151 0.33209871740852 0.37509661887936 15.999 8 O 0.48828231550062 0.37509661887936 0.33209871740852 15.999 9 Na 0.81508600716619 0.18491399283381 0.81508600716619 22.990 10 Na 0.18491399283381 0.81508600716619 0.18491399283381 22.990 11 Na 0.06508600716619 0.43491399283381 0.06508600716619 22.990 12 Na 0.43491399283381 0.06508600716619 0.43491399283381 22.990 13 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 14 S 0.75000000000000 0.75000000000000 0.75000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.740955700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.788332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.311778139999998 Atomic positions (fractional): 1 O 0.30179883407197 0.33980948354543 0.18168946718999 15.999 > 1 2 O 0.80179883407197 0.33980948354543 0.18168946718999 15.999 > 1 3 O 0.30179883407197 0.16019051645457 0.31831053281001 15.999 > 3 4 O 0.80179883407197 0.16019051645457 0.31831053281001 15.999 > 3 5 O 0.44820116592803 0.33980948354543 0.31831053281001 15.999 > 5 6 O 0.94820116592803 0.33980948354543 0.31831053281001 15.999 > 5 7 O 0.44820116592803 0.16019051645457 0.18168946718999 15.999 > 7 8 O 0.94820116592803 0.16019051645457 0.18168946718999 15.999 > 7 9 O 0.32320116592803 0.91019051645457 0.06831053281001 15.999 > 9 10 O 0.82320116592803 0.91019051645457 0.06831053281001 15.999 > 9 11 O 0.07320116592803 0.08980948354543 0.43168946718999 15.999 > 11 12 O 0.57320116592803 0.08980948354543 0.43168946718999 15.999 > 11 13 O 0.17679883407197 0.08980948354543 0.06831053281001 15.999 > 13 14 O 0.67679883407197 0.08980948354543 0.06831053281001 15.999 > 13 15 O 0.42679883407197 0.91019051645457 0.43168946718999 15.999 > 15 16 O 0.92679883407197 0.91019051645457 0.43168946718999 15.999 > 15 17 O 0.30179883407197 0.83980948354543 0.68168946718999 15.999 > 1 18 O 0.80179883407197 0.83980948354543 0.68168946718999 15.999 > 1 19 O 0.30179883407197 0.66019051645457 0.81831053281001 15.999 > 3 20 O 0.80179883407197 0.66019051645457 0.81831053281001 15.999 > 3 21 O 0.44820116592803 0.83980948354543 0.81831053281001 15.999 > 5 22 O 0.94820116592803 0.83980948354543 0.81831053281001 15.999 > 5 23 O 0.44820116592803 0.66019051645457 0.68168946718999 15.999 > 7 24 O 0.94820116592803 0.66019051645457 0.68168946718999 15.999 > 7 25 O 0.32320116592803 0.41019051645457 0.56831053281001 15.999 > 9 26 O 0.82320116592803 0.41019051645457 0.56831053281001 15.999 > 9 27 O 0.07320116592803 0.58980948354543 0.93168946718999 15.999 > 11 28 O 0.57320116592803 0.58980948354543 0.93168946718999 15.999 > 11 29 O 0.17679883407197 0.58980948354543 0.56831053281001 15.999 > 13 30 O 0.67679883407197 0.58980948354543 0.56831053281001 15.999 > 13 31 O 0.42679883407197 0.41019051645457 0.93168946718999 15.999 > 15 32 O 0.92679883407197 0.41019051645457 0.93168946718999 15.999 > 15 33 O 0.05179883407197 0.33980948354543 0.68168946718999 15.999 > 1 34 O 0.55179883407197 0.33980948354543 0.68168946718999 15.999 > 1 35 O 0.05179883407197 0.16019051645457 0.81831053281001 15.999 > 3 36 O 0.55179883407197 0.16019051645457 0.81831053281001 15.999 > 3 37 O 0.19820116592803 0.33980948354543 0.81831053281001 15.999 > 5 38 O 0.69820116592803 0.33980948354543 0.81831053281001 15.999 > 5 39 O 0.19820116592803 0.16019051645457 0.68168946718999 15.999 > 7 40 O 0.69820116592803 0.16019051645457 0.68168946718999 15.999 > 7 41 O 0.07320116592803 0.91019051645457 0.56831053281001 15.999 > 9 42 O 0.57320116592803 0.91019051645457 0.56831053281001 15.999 > 9 43 O 0.32320116592803 0.08980948354543 0.93168946718999 15.999 > 11 44 O 0.82320116592803 0.08980948354543 0.93168946718999 15.999 > 11 45 O 0.42679883407197 0.08980948354543 0.56831053281001 15.999 > 13 46 O 0.92679883407197 0.08980948354543 0.56831053281001 15.999 > 13 47 O 0.17679883407197 0.91019051645457 0.93168946718999 15.999 > 15 48 O 0.67679883407197 0.91019051645457 0.93168946718999 15.999 > 15 49 O 0.05179883407197 0.83980948354543 0.18168946718999 15.999 > 1 50 O 0.55179883407197 0.83980948354543 0.18168946718999 15.999 > 1 51 O 0.05179883407197 0.66019051645457 0.31831053281001 15.999 > 3 52 O 0.55179883407197 0.66019051645457 0.31831053281001 15.999 > 3 53 O 0.19820116592803 0.83980948354543 0.31831053281001 15.999 > 5 54 O 0.69820116592803 0.83980948354543 0.31831053281001 15.999 > 5 55 O 0.19820116592803 0.66019051645457 0.18168946718999 15.999 > 7 56 O 0.69820116592803 0.66019051645457 0.18168946718999 15.999 > 7 57 O 0.07320116592803 0.41019051645457 0.06831053281001 15.999 > 9 58 O 0.57320116592803 0.41019051645457 0.06831053281001 15.999 > 9 59 O 0.32320116592803 0.58980948354543 0.43168946718999 15.999 > 11 60 O 0.82320116592803 0.58980948354543 0.43168946718999 15.999 > 11 61 O 0.42679883407197 0.58980948354543 0.06831053281001 15.999 > 13 62 O 0.92679883407197 0.58980948354543 0.06831053281001 15.999 > 13 63 O 0.17679883407197 0.41019051645457 0.43168946718999 15.999 > 15 64 O 0.67679883407197 0.41019051645457 0.43168946718999 15.999 > 15 65 Na 0.25000000000000 0.31508600716619 0.00000000000000 22.990 > 65 66 Na 0.75000000000000 0.31508600716619 0.00000000000000 22.990 > 65 67 Na 0.25000000000000 0.68491399283381 0.00000000000000 22.990 > 67 68 Na 0.75000000000000 0.68491399283381 0.00000000000000 22.990 > 67 69 Na 0.37500000000000 0.56508600716619 0.25000000000000 22.990 > 69 70 Na 0.87500000000000 0.56508600716619 0.25000000000000 22.990 > 69 71 Na 0.37500000000000 0.93491399283381 0.25000000000000 22.990 > 71 72 Na 0.87500000000000 0.93491399283381 0.25000000000000 22.990 > 71 73 Na 0.25000000000000 0.81508600716619 0.50000000000000 22.990 > 65 74 Na 0.75000000000000 0.81508600716619 0.50000000000000 22.990 > 65 75 Na 0.25000000000000 0.18491399283381 0.50000000000000 22.990 > 67 76 Na 0.75000000000000 0.18491399283381 0.50000000000000 22.990 > 67 77 Na 0.37500000000000 0.06508600716619 0.75000000000000 22.990 > 69 78 Na 0.87500000000000 0.06508600716619 0.75000000000000 22.990 > 69 79 Na 0.37500000000000 0.43491399283381 0.75000000000000 22.990 > 71 80 Na 0.87500000000000 0.43491399283381 0.75000000000000 22.990 > 71 81 Na 0.00000000000000 0.31508600716619 0.50000000000000 22.990 > 65 82 Na 0.50000000000000 0.31508600716619 0.50000000000000 22.990 > 65 83 Na 0.00000000000000 0.68491399283381 0.50000000000000 22.990 > 67 84 Na 0.50000000000000 0.68491399283381 0.50000000000000 22.990 > 67 85 Na 0.12500000000000 0.56508600716619 0.75000000000000 22.990 > 69 86 Na 0.62500000000000 0.56508600716619 0.75000000000000 22.990 > 69 87 Na 0.12500000000000 0.93491399283381 0.75000000000000 22.990 > 71 88 Na 0.62500000000000 0.93491399283381 0.75000000000000 22.990 > 71 89 Na 0.00000000000000 0.81508600716619 0.00000000000000 22.990 > 65 90 Na 0.50000000000000 0.81508600716619 0.00000000000000 22.990 > 65 91 Na 0.00000000000000 0.18491399283381 0.00000000000000 22.990 > 67 92 Na 0.50000000000000 0.18491399283381 0.00000000000000 22.990 > 67 93 Na 0.12500000000000 0.06508600716619 0.25000000000000 22.990 > 69 94 Na 0.62500000000000 0.06508600716619 0.25000000000000 22.990 > 69 95 Na 0.12500000000000 0.43491399283381 0.25000000000000 22.990 > 71 96 Na 0.62500000000000 0.43491399283381 0.25000000000000 22.990 > 71 97 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 97 98 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 97 99 S 0.37500000000000 0.25000000000000 0.25000000000000 32.065 > 99 100 S 0.87500000000000 0.25000000000000 0.25000000000000 32.065 > 99 101 S 0.25000000000000 0.50000000000000 0.50000000000000 32.065 > 97 102 S 0.75000000000000 0.50000000000000 0.50000000000000 32.065 > 97 103 S 0.37500000000000 0.75000000000000 0.75000000000000 32.065 > 99 104 S 0.87500000000000 0.75000000000000 0.75000000000000 32.065 > 99 105 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 97 106 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 97 107 S 0.12500000000000 0.25000000000000 0.75000000000000 32.065 > 99 108 S 0.62500000000000 0.25000000000000 0.75000000000000 32.065 > 99 109 S 0.00000000000000 0.50000000000000 0.00000000000000 32.065 > 97 110 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 97 111 S 0.12500000000000 0.75000000000000 0.25000000000000 32.065 > 99 112 S 0.62500000000000 0.75000000000000 0.25000000000000 32.065 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2463233 0.0000000 0.0000000 0.0000000 2.2948267 0.0000000 0.0000000 0.0000000 2.2665364 -------------------------- Born effective charges -------------------------- 1 O -1.2840476 0.3823607 -0.3296772 0.3953760 -1.3683782 0.3248261 -0.3720911 0.3446590 -1.3325709 2 O -1.2840476 -0.3823607 0.3296772 -0.3953760 -1.3683782 0.3248261 0.3720911 0.3446590 -1.3325709 3 O -1.2840476 -0.3823607 -0.3296772 -0.3953760 -1.3683782 -0.3248261 -0.3720911 -0.3446590 -1.3325709 4 O -1.2840476 0.3823607 0.3296772 0.3953760 -1.3683782 -0.3248261 0.3720911 -0.3446590 -1.3325709 5 O -1.2840476 0.3823607 -0.3296772 0.3953760 -1.3683782 0.3248261 -0.3720911 0.3446590 -1.3325709 6 O -1.2840476 -0.3823607 0.3296772 -0.3953760 -1.3683782 0.3248261 0.3720911 0.3446590 -1.3325709 7 O -1.2840476 0.3823607 0.3296772 0.3953760 -1.3683782 -0.3248261 0.3720911 -0.3446590 -1.3325709 8 O -1.2840476 -0.3823607 -0.3296772 -0.3953760 -1.3683782 -0.3248261 -0.3720911 -0.3446590 -1.3325709 9 Na 1.1212861 0.0000000 0.0936923 0.0000000 1.1202617 0.0000000 0.1290690 0.0000000 1.0989248 10 Na 1.1212861 0.0000000 -0.0936923 0.0000000 1.1202617 0.0000000 -0.1290690 0.0000000 1.0989248 11 Na 1.1212861 0.0000000 -0.0936923 0.0000000 1.1202617 0.0000000 -0.1290690 0.0000000 1.0989248 12 Na 1.1212861 0.0000000 0.0936923 0.0000000 1.1202617 0.0000000 0.1290690 0.0000000 1.0989248 13 S 2.8936184 0.0000000 0.0000000 0.0000000 3.2329894 0.0000000 0.0000000 0.0000000 3.1324342 14 S 2.8936184 0.0000000 0.0000000 0.0000000 3.2329894 0.0000000 0.0000000 0.0000000 3.1324342 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xyz) -0.00000003 (xyz) -0.00000003 (xzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:26:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:26:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.894166320000000 6.155889069999999 b 2.935238925000000 0.000000000000000 6.155889069999999 c 2.935238925000000 4.894166320000000 0.000000000000000 Atomic positions (fractional): 1 O 0.91790128259148 0.44547765178849 0.76171768449938 15.999 2 O 0.87490338112064 0.76171768449938 0.44547765178849 15.999 3 O 0.76171768449938 0.87490338112064 0.91790128259148 15.999 4 O 0.44547765178849 0.91790128259148 0.87490338112064 15.999 5 O 0.33209871740852 0.80452234821151 0.48828231550062 15.999 6 O 0.37509661887936 0.48828231550062 0.80452234821151 15.999 7 O 0.80452234821151 0.33209871740852 0.37509661887936 15.999 8 O 0.48828231550062 0.37509661887936 0.33209871740852 15.999 9 Na 0.81508600716619 0.18491399283381 0.81508600716619 22.990 10 Na 0.18491399283381 0.81508600716619 0.18491399283381 22.990 11 Na 0.06508600716619 0.43491399283381 0.06508600716619 22.990 12 Na 0.43491399283381 0.06508600716619 0.43491399283381 22.990 13 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 14 S 0.75000000000000 0.75000000000000 0.75000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.740955700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.788332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.311778139999998 Atomic positions (fractional): 1 O 0.30179883407197 0.33980948354543 0.18168946718999 15.999 > 1 2 O 0.80179883407197 0.33980948354543 0.18168946718999 15.999 > 1 3 O 0.30179883407197 0.16019051645457 0.31831053281001 15.999 > 3 4 O 0.80179883407197 0.16019051645457 0.31831053281001 15.999 > 3 5 O 0.44820116592803 0.33980948354543 0.31831053281001 15.999 > 5 6 O 0.94820116592803 0.33980948354543 0.31831053281001 15.999 > 5 7 O 0.44820116592803 0.16019051645457 0.18168946718999 15.999 > 7 8 O 0.94820116592803 0.16019051645457 0.18168946718999 15.999 > 7 9 O 0.32320116592803 0.91019051645457 0.06831053281001 15.999 > 9 10 O 0.82320116592803 0.91019051645457 0.06831053281001 15.999 > 9 11 O 0.07320116592803 0.08980948354543 0.43168946718999 15.999 > 11 12 O 0.57320116592803 0.08980948354543 0.43168946718999 15.999 > 11 13 O 0.17679883407197 0.08980948354543 0.06831053281001 15.999 > 13 14 O 0.67679883407197 0.08980948354543 0.06831053281001 15.999 > 13 15 O 0.42679883407197 0.91019051645457 0.43168946718999 15.999 > 15 16 O 0.92679883407197 0.91019051645457 0.43168946718999 15.999 > 15 17 O 0.30179883407197 0.83980948354543 0.68168946718999 15.999 > 1 18 O 0.80179883407197 0.83980948354543 0.68168946718999 15.999 > 1 19 O 0.30179883407197 0.66019051645457 0.81831053281001 15.999 > 3 20 O 0.80179883407197 0.66019051645457 0.81831053281001 15.999 > 3 21 O 0.44820116592803 0.83980948354543 0.81831053281001 15.999 > 5 22 O 0.94820116592803 0.83980948354543 0.81831053281001 15.999 > 5 23 O 0.44820116592803 0.66019051645457 0.68168946718999 15.999 > 7 24 O 0.94820116592803 0.66019051645457 0.68168946718999 15.999 > 7 25 O 0.32320116592803 0.41019051645457 0.56831053281001 15.999 > 9 26 O 0.82320116592803 0.41019051645457 0.56831053281001 15.999 > 9 27 O 0.07320116592803 0.58980948354543 0.93168946718999 15.999 > 11 28 O 0.57320116592803 0.58980948354543 0.93168946718999 15.999 > 11 29 O 0.17679883407197 0.58980948354543 0.56831053281001 15.999 > 13 30 O 0.67679883407197 0.58980948354543 0.56831053281001 15.999 > 13 31 O 0.42679883407197 0.41019051645457 0.93168946718999 15.999 > 15 32 O 0.92679883407197 0.41019051645457 0.93168946718999 15.999 > 15 33 O 0.05179883407197 0.33980948354543 0.68168946718999 15.999 > 1 34 O 0.55179883407197 0.33980948354543 0.68168946718999 15.999 > 1 35 O 0.05179883407197 0.16019051645457 0.81831053281001 15.999 > 3 36 O 0.55179883407197 0.16019051645457 0.81831053281001 15.999 > 3 37 O 0.19820116592803 0.33980948354543 0.81831053281001 15.999 > 5 38 O 0.69820116592803 0.33980948354543 0.81831053281001 15.999 > 5 39 O 0.19820116592803 0.16019051645457 0.68168946718999 15.999 > 7 40 O 0.69820116592803 0.16019051645457 0.68168946718999 15.999 > 7 41 O 0.07320116592803 0.91019051645457 0.56831053281001 15.999 > 9 42 O 0.57320116592803 0.91019051645457 0.56831053281001 15.999 > 9 43 O 0.32320116592803 0.08980948354543 0.93168946718999 15.999 > 11 44 O 0.82320116592803 0.08980948354543 0.93168946718999 15.999 > 11 45 O 0.42679883407197 0.08980948354543 0.56831053281001 15.999 > 13 46 O 0.92679883407197 0.08980948354543 0.56831053281001 15.999 > 13 47 O 0.17679883407197 0.91019051645457 0.93168946718999 15.999 > 15 48 O 0.67679883407197 0.91019051645457 0.93168946718999 15.999 > 15 49 O 0.05179883407197 0.83980948354543 0.18168946718999 15.999 > 1 50 O 0.55179883407197 0.83980948354543 0.18168946718999 15.999 > 1 51 O 0.05179883407197 0.66019051645457 0.31831053281001 15.999 > 3 52 O 0.55179883407197 0.66019051645457 0.31831053281001 15.999 > 3 53 O 0.19820116592803 0.83980948354543 0.31831053281001 15.999 > 5 54 O 0.69820116592803 0.83980948354543 0.31831053281001 15.999 > 5 55 O 0.19820116592803 0.66019051645457 0.18168946718999 15.999 > 7 56 O 0.69820116592803 0.66019051645457 0.18168946718999 15.999 > 7 57 O 0.07320116592803 0.41019051645457 0.06831053281001 15.999 > 9 58 O 0.57320116592803 0.41019051645457 0.06831053281001 15.999 > 9 59 O 0.32320116592803 0.58980948354543 0.43168946718999 15.999 > 11 60 O 0.82320116592803 0.58980948354543 0.43168946718999 15.999 > 11 61 O 0.42679883407197 0.58980948354543 0.06831053281001 15.999 > 13 62 O 0.92679883407197 0.58980948354543 0.06831053281001 15.999 > 13 63 O 0.17679883407197 0.41019051645457 0.43168946718999 15.999 > 15 64 O 0.67679883407197 0.41019051645457 0.43168946718999 15.999 > 15 65 Na 0.25000000000000 0.31508600716619 0.00000000000000 22.990 > 65 66 Na 0.75000000000000 0.31508600716619 0.00000000000000 22.990 > 65 67 Na 0.25000000000000 0.68491399283381 0.00000000000000 22.990 > 67 68 Na 0.75000000000000 0.68491399283381 0.00000000000000 22.990 > 67 69 Na 0.37500000000000 0.56508600716619 0.25000000000000 22.990 > 69 70 Na 0.87500000000000 0.56508600716619 0.25000000000000 22.990 > 69 71 Na 0.37500000000000 0.93491399283381 0.25000000000000 22.990 > 71 72 Na 0.87500000000000 0.93491399283381 0.25000000000000 22.990 > 71 73 Na 0.25000000000000 0.81508600716619 0.50000000000000 22.990 > 65 74 Na 0.75000000000000 0.81508600716619 0.50000000000000 22.990 > 65 75 Na 0.25000000000000 0.18491399283381 0.50000000000000 22.990 > 67 76 Na 0.75000000000000 0.18491399283381 0.50000000000000 22.990 > 67 77 Na 0.37500000000000 0.06508600716619 0.75000000000000 22.990 > 69 78 Na 0.87500000000000 0.06508600716619 0.75000000000000 22.990 > 69 79 Na 0.37500000000000 0.43491399283381 0.75000000000000 22.990 > 71 80 Na 0.87500000000000 0.43491399283381 0.75000000000000 22.990 > 71 81 Na 0.00000000000000 0.31508600716619 0.50000000000000 22.990 > 65 82 Na 0.50000000000000 0.31508600716619 0.50000000000000 22.990 > 65 83 Na 0.00000000000000 0.68491399283381 0.50000000000000 22.990 > 67 84 Na 0.50000000000000 0.68491399283381 0.50000000000000 22.990 > 67 85 Na 0.12500000000000 0.56508600716619 0.75000000000000 22.990 > 69 86 Na 0.62500000000000 0.56508600716619 0.75000000000000 22.990 > 69 87 Na 0.12500000000000 0.93491399283381 0.75000000000000 22.990 > 71 88 Na 0.62500000000000 0.93491399283381 0.75000000000000 22.990 > 71 89 Na 0.00000000000000 0.81508600716619 0.00000000000000 22.990 > 65 90 Na 0.50000000000000 0.81508600716619 0.00000000000000 22.990 > 65 91 Na 0.00000000000000 0.18491399283381 0.00000000000000 22.990 > 67 92 Na 0.50000000000000 0.18491399283381 0.00000000000000 22.990 > 67 93 Na 0.12500000000000 0.06508600716619 0.25000000000000 22.990 > 69 94 Na 0.62500000000000 0.06508600716619 0.25000000000000 22.990 > 69 95 Na 0.12500000000000 0.43491399283381 0.25000000000000 22.990 > 71 96 Na 0.62500000000000 0.43491399283381 0.25000000000000 22.990 > 71 97 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 97 98 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 97 99 S 0.37500000000000 0.25000000000000 0.25000000000000 32.065 > 99 100 S 0.87500000000000 0.25000000000000 0.25000000000000 32.065 > 99 101 S 0.25000000000000 0.50000000000000 0.50000000000000 32.065 > 97 102 S 0.75000000000000 0.50000000000000 0.50000000000000 32.065 > 97 103 S 0.37500000000000 0.75000000000000 0.75000000000000 32.065 > 99 104 S 0.87500000000000 0.75000000000000 0.75000000000000 32.065 > 99 105 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 97 106 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 97 107 S 0.12500000000000 0.25000000000000 0.75000000000000 32.065 > 99 108 S 0.62500000000000 0.25000000000000 0.75000000000000 32.065 > 99 109 S 0.00000000000000 0.50000000000000 0.00000000000000 32.065 > 97 110 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 97 111 S 0.12500000000000 0.75000000000000 0.25000000000000 32.065 > 99 112 S 0.62500000000000 0.75000000000000 0.25000000000000 32.065 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2463233 0.0000000 0.0000000 0.0000000 2.2948267 0.0000000 0.0000000 0.0000000 2.2665364 -------------------------- Born effective charges -------------------------- 1 O -1.2840476 0.3823607 -0.3296772 0.3953760 -1.3683782 0.3248261 -0.3720911 0.3446590 -1.3325709 2 O -1.2840476 -0.3823607 0.3296772 -0.3953760 -1.3683782 0.3248261 0.3720911 0.3446590 -1.3325709 3 O -1.2840476 -0.3823607 -0.3296772 -0.3953760 -1.3683782 -0.3248261 -0.3720911 -0.3446590 -1.3325709 4 O -1.2840476 0.3823607 0.3296772 0.3953760 -1.3683782 -0.3248261 0.3720911 -0.3446590 -1.3325709 5 O -1.2840476 0.3823607 -0.3296772 0.3953760 -1.3683782 0.3248261 -0.3720911 0.3446590 -1.3325709 6 O -1.2840476 -0.3823607 0.3296772 -0.3953760 -1.3683782 0.3248261 0.3720911 0.3446590 -1.3325709 7 O -1.2840476 0.3823607 0.3296772 0.3953760 -1.3683782 -0.3248261 0.3720911 -0.3446590 -1.3325709 8 O -1.2840476 -0.3823607 -0.3296772 -0.3953760 -1.3683782 -0.3248261 -0.3720911 -0.3446590 -1.3325709 9 Na 1.1212861 0.0000000 0.0936923 0.0000000 1.1202617 0.0000000 0.1290690 0.0000000 1.0989248 10 Na 1.1212861 0.0000000 -0.0936923 0.0000000 1.1202617 0.0000000 -0.1290690 0.0000000 1.0989248 11 Na 1.1212861 0.0000000 -0.0936923 0.0000000 1.1202617 0.0000000 -0.1290690 0.0000000 1.0989248 12 Na 1.1212861 0.0000000 0.0936923 0.0000000 1.1202617 0.0000000 0.1290690 0.0000000 1.0989248 13 S 2.8936184 0.0000000 0.0000000 0.0000000 3.2329894 0.0000000 0.0000000 0.0000000 3.1324342 14 S 2.8936184 0.0000000 0.0000000 0.0000000 3.2329894 0.0000000 0.0000000 0.0000000 3.1324342 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xyz) -0.00000003 (xyz) -0.00000003 (xzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 -0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 -0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 12.715 ( 0.000 0.000 0.000) 0.000 13.005 ( 0.000 0.000 0.000) 0.000 13.343 ( 0.000 0.000 -0.000) 0.000 14.073 ( 0.000 0.000 0.000) 0.000 17.378 ( 0.000 0.000 0.000) 0.000 17.520 ( 0.000 0.000 0.000) 0.000 17.637 ( 0.000 0.000 0.000) 0.000 17.961 ( 0.000 0.000 0.000) 0.000 18.183 ( 0.000 0.000 0.000) 0.000 18.545 ( 0.000 0.000 0.000) 0.000 28.179 ( 0.000 0.000 0.000) 0.000 28.264 ( 0.000 0.000 0.000) 0.000 31.488 ( 0.000 0.000 0.000) 0.000 31.501 ( 0.000 0.000 0.000) 0.000 32.087 ( 0.000 0.000 0.000) 0.000 32.344 ( 0.000 0.000 0.000) 0.000 32.487 ( 0.000 0.000 0.000) 0.000 33.050 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -18.801 10.751 19.056) 28.848 0.646 ( -19.185 16.451 24.679) 35.324 1.031 ( -47.130 18.924 12.557) 52.317 2.529 ( -6.019 0.216 -8.321) 10.272 2.660 ( -14.171 11.064 -6.232) 19.028 2.897 ( -6.094 1.009 14.720) 15.964 2.978 ( -4.375 7.924 9.155) 12.874 3.885 ( 5.751 -0.012 -2.123) 6.130 3.996 ( 2.012 -0.269 -14.463) 14.605 4.038 ( 7.248 -1.421 5.625) 9.284 4.345 ( 4.483 -2.797 13.963) 14.929 4.837 ( 0.987 -3.326 -2.991) 4.581 4.899 ( 1.675 0.808 2.381) 3.021 4.981 ( 11.087 -7.648 -0.554) 13.480 5.331 ( 2.149 5.261 -1.723) 5.938 5.363 ( 0.056 10.420 1.311) 10.502 5.555 ( -10.880 0.386 -0.225) 10.889 5.946 ( -4.068 3.192 -9.433) 10.757 6.188 ( 0.386 -6.109 -4.837) 7.802 6.400 ( 2.454 13.768 -14.289) 19.994 7.138 ( -23.228 4.648 -52.795) 57.866 7.212 ( 0.581 -0.030 -4.352) 4.391 7.518 ( 1.922 -0.313 -3.615) 4.107 8.289 ( 19.970 -19.611 48.775) 56.236 12.715 ( -0.261 0.124 -0.578) 0.646 12.992 ( 1.373 -0.225 -0.252) 1.414 13.348 ( -0.290 -0.134 1.022) 1.071 14.056 ( 1.000 -1.398 -0.762) 1.880 17.407 ( 2.167 -0.561 5.999) 6.403 17.637 ( -1.487 -1.264 -1.116) 2.249 17.696 ( -6.112 -11.255 4.134) 13.458 17.957 ( 1.066 1.296 -0.296) 1.703 18.334 ( 7.553 18.306 -3.089) 20.043 18.550 ( 0.124 0.537 1.014) 1.154 28.186 ( -0.795 -0.041 0.180) 0.816 28.258 ( 0.802 -0.045 -0.003) 0.803 31.500 ( 0.958 -1.703 4.432) 4.844 31.623 ( 1.683 -1.656 16.330) 16.500 32.163 ( 5.411 9.250 0.760) 10.743 32.476 ( 2.628 3.062 -1.203) 4.210 33.006 ( 2.955 -5.540 1.581) 6.475 34.455 ( -5.495 4.631 -15.629) 17.202 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -16.173 10.638 15.961) 25.090 1.251 ( -16.357 15.688 23.532) 32.672 1.951 ( -39.681 13.586 8.885) 42.873 2.608 ( -11.798 2.482 -8.571) 14.792 3.003 ( -19.372 7.992 0.106) 20.956 3.086 ( -4.536 9.413 5.056) 11.608 3.346 ( -11.907 12.833 18.299) 25.324 3.741 ( 8.476 -2.424 -1.517) 8.945 3.830 ( -0.067 -5.188 -15.575) 16.416 3.939 ( 9.091 -1.547 8.724) 12.694 4.316 ( 2.387 -12.422 11.727) 17.249 4.720 ( 10.963 -6.997 -0.711) 13.025 4.768 ( 1.638 -4.346 -3.010) 5.534 4.940 ( 1.263 2.570 9.475) 9.898 5.297 ( 5.496 6.015 -4.687) 9.400 5.452 ( 7.339 16.150 1.773) 17.827 5.724 ( -11.383 -1.766 0.204) 11.521 5.978 ( -5.585 -0.830 -6.425) 8.554 6.091 ( -0.550 -5.775 -3.618) 6.837 6.359 ( 4.500 4.671 -5.645) 8.599 7.136 ( 0.534 -0.028 -11.388) 11.400 7.160 ( -8.664 2.370 -19.961) 21.889 7.450 ( 1.994 -0.496 -4.088) 4.575 8.098 ( 16.443 -11.199 15.097) 24.974 12.718 ( -0.488 0.289 -0.840) 1.014 12.957 ( 2.292 -0.371 -0.473) 2.369 13.366 ( -0.646 -0.022 1.926) 2.032 14.008 ( 1.717 -2.386 -1.417) 3.263 17.414 ( 0.805 -0.047 2.794) 2.908 17.645 ( -1.945 -0.818 -1.393) 2.529 17.719 ( -2.698 -4.881 3.448) 6.557 17.948 ( 1.734 1.958 -0.506) 2.664 18.372 ( 1.986 8.436 -0.933) 8.717 18.565 ( 0.221 0.939 1.752) 2.000 28.202 ( -1.156 -0.118 0.225) 1.184 28.242 ( 1.077 0.019 0.115) 1.083 31.508 ( 0.830 -0.758 4.267) 4.413 31.725 ( -4.309 2.411 4.244) 6.511 32.167 ( 1.690 2.315 0.106) 2.868 32.448 ( 4.455 5.675 -2.199) 7.542 32.892 ( 4.473 -9.732 3.498) 11.268 34.469 ( -2.378 4.111 -8.304) 9.566 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -13.044 10.150 13.069) 21.071 1.778 ( -12.174 13.927 21.231) 28.159 2.527 ( -20.489 4.468 -4.779) 21.508 2.870 ( -20.826 2.354 2.933) 21.162 3.254 ( -1.309 3.424 4.601) 5.882 3.327 ( -5.338 6.912 -0.981) 8.789 3.522 ( -0.637 5.502 -2.242) 5.975 3.616 ( 0.463 -5.908 -9.316) 11.041 3.908 ( -4.432 3.826 9.090) 10.813 3.954 ( -9.412 6.327 14.039) 18.048 4.238 ( 2.876 -7.366 6.182) 10.037 4.509 ( 7.434 -5.103 2.010) 9.238 4.688 ( 1.157 -4.783 -1.336) 5.099 5.002 ( 2.196 0.793 9.256) 9.546 5.250 ( 3.986 6.238 -0.359) 7.411 5.439 ( 10.589 10.414 0.062) 14.852 5.871 ( -10.291 -3.735 -0.189) 10.949 5.974 ( -4.622 -5.881 -7.889) 10.871 6.076 ( 0.930 3.056 1.196) 3.411 6.277 ( 3.747 -0.356 -2.598) 4.573 7.000 ( 3.858 0.688 -14.094) 14.629 7.184 ( -6.011 1.985 -11.468) 13.099 7.402 ( 0.401 -0.606 -2.407) 2.514 7.805 ( 17.218 -8.639 2.259) 19.396 12.724 ( -0.634 0.440 -0.713) 1.050 12.911 ( 2.512 -0.416 -0.627) 2.622 13.396 ( -0.976 0.321 2.485) 2.689 13.942 ( 1.984 -2.719 -1.841) 3.836 17.421 ( 0.346 0.159 1.280) 1.335 17.661 ( -1.946 -0.002 -1.468) 2.438 17.736 ( -1.302 -3.456 3.008) 4.763 17.933 ( 1.849 1.858 -0.578) 2.684 18.409 ( 0.534 4.512 -0.432) 4.564 18.585 ( 0.262 1.084 2.008) 2.296 28.215 ( -0.462 -0.310 -0.106) 0.566 28.233 ( 0.262 0.251 0.522) 0.636 31.517 ( 1.501 0.273 3.448) 3.771 31.849 ( -6.822 2.492 -1.741) 7.469 32.153 ( 1.344 0.124 0.131) 1.356 32.420 ( 4.823 7.833 -2.241) 9.468 32.753 ( 4.130 -12.152 5.297) 13.885 34.479 ( -0.899 3.484 -5.571) 6.632 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -10.230 9.324 10.480) 17.362 2.186 ( -7.005 10.118 17.853) 21.683 2.733 ( -11.842 0.319 -10.285) 15.689 3.087 ( 6.646 -3.379 -6.504) 9.894 3.184 ( -10.143 -4.456 3.817) 11.718 3.393 ( 3.098 3.929 7.649) 9.140 3.515 ( -1.861 -0.573 -8.252) 8.478 3.699 ( -6.455 3.760 0.832) 7.516 4.008 ( 2.563 0.913 1.522) 3.118 4.105 ( 2.557 -4.894 2.907) 6.240 4.354 ( -9.642 10.790 4.050) 15.027 4.490 ( -2.532 0.142 6.488) 6.966 4.675 ( -5.289 -5.225 7.666) 10.679 5.081 ( -2.090 4.768 2.690) 5.860 5.274 ( 1.379 1.642 11.594) 11.790 5.382 ( 4.041 7.317 -1.316) 8.461 5.839 ( 6.282 -2.344 -7.553) 10.100 5.990 ( -2.511 -0.399 -0.115) 2.546 6.094 ( -3.029 -2.709 -0.304) 4.075 6.218 ( 0.120 -2.916 -2.404) 3.781 6.863 ( 2.438 2.216 -10.224) 10.742 7.205 ( -4.475 1.516 -10.498) 11.512 7.385 ( -0.341 -0.725 -1.093) 1.355 7.462 ( 17.363 -6.545 -0.408) 18.560 12.734 ( -0.638 0.455 -0.362) 0.863 12.867 ( 2.017 -0.364 -0.616) 2.140 13.435 ( -1.029 0.594 2.339) 2.623 13.875 ( 1.702 -2.282 -1.791) 3.363 17.425 ( 0.164 0.177 0.375) 0.446 17.682 ( -1.673 0.835 -1.581) 2.448 17.739 ( -0.275 -2.953 2.521) 3.893 17.918 ( 1.407 1.248 -0.472) 1.939 18.431 ( 0.188 2.210 -0.296) 2.237 18.604 ( 0.271 0.823 1.614) 1.832 28.216 ( -0.311 -0.111 -0.054) 0.334 28.238 ( 0.092 0.089 0.393) 0.413 31.514 ( 2.173 0.755 2.085) 3.105 31.925 ( -4.753 -0.685 -5.665) 7.426 32.164 ( -1.915 1.323 1.837) 2.965 32.413 ( 5.515 11.282 -2.076) 12.728 32.622 ( 2.268 -14.220 5.819) 15.531 34.480 ( -0.108 2.315 -3.466) 4.169 ======================= Grid point 5 (6/216) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -5.509 5.679 5.162) 9.447 2.449 ( -3.288 4.453 15.525) 16.483 2.670 ( 3.077 -4.729 -15.518) 16.512 2.975 ( -0.831 -0.262 -3.222) 3.338 3.315 ( -4.473 -2.581 8.314) 9.787 3.395 ( 0.934 0.079 -3.160) 3.296 3.555 ( -2.928 2.985 -0.609) 4.225 3.752 ( 0.491 1.292 -1.245) 1.860 3.941 ( 4.541 0.982 0.805) 4.715 4.002 ( 2.501 -4.847 -1.468) 5.648 4.498 ( -0.277 -0.076 1.969) 1.990 4.649 ( -7.578 5.454 0.484) 9.349 4.857 ( -9.279 -3.304 11.365) 15.039 5.037 ( 6.834 2.802 -6.283) 9.697 5.421 ( -2.765 3.585 1.221) 4.689 5.522 ( -6.872 3.678 14.676) 16.617 5.651 ( 6.005 -0.849 -3.135) 6.827 5.907 ( 7.007 -1.531 -7.355) 10.273 6.137 ( -6.406 -4.877 -1.464) 8.183 6.170 ( 2.156 0.648 -1.549) 2.733 6.845 ( -1.575 2.186 0.118) 2.697 7.104 ( 5.337 -2.807 -11.237) 12.753 7.272 ( 3.263 -0.124 3.665) 4.908 7.380 ( -0.336 -0.371 -0.551) 0.744 12.744 ( -0.332 0.219 -0.067) 0.404 12.838 ( 0.835 -0.170 -0.291) 0.900 13.466 ( -0.489 0.348 1.044) 1.204 13.829 ( 0.721 -0.947 -0.828) 1.450 17.425 ( 0.054 0.072 0.038) 0.098 17.703 ( -1.028 1.290 -1.423) 2.178 17.729 ( 0.382 -2.036 1.733) 2.701 17.908 ( 0.526 0.430 -0.185) 0.704 18.441 ( 0.050 0.667 -0.118) 0.679 18.614 ( 0.135 0.291 0.621) 0.699 28.224 ( -0.672 0.027 -0.013) 0.672 28.235 ( 0.578 -0.032 0.142) 0.596 31.501 ( 1.148 0.381 0.606) 1.353 31.924 ( -1.198 -0.997 -2.495) 2.942 32.237 ( -3.563 0.032 0.568) 3.608 32.431 ( 6.456 16.939 -2.901) 18.359 32.508 ( -1.659 -17.009 4.707) 17.726 34.477 ( 0.056 0.807 -1.203) 1.450 ======================= Grid point 12 (7/216) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 0.000 0.000 23.378) 23.378 0.428 ( 0.000 0.000 28.303) 28.303 0.957 ( 0.000 0.000 64.197) 64.197 2.378 ( -0.000 -0.000 -13.349) 13.349 2.476 ( -0.000 -0.000 -1.169) 1.169 2.946 ( 0.000 0.000 6.957) 6.957 3.016 ( 0.000 0.000 25.168) 25.168 3.861 ( -0.000 -0.000 -17.890) 17.890 3.898 ( -0.000 -0.000 -5.301) 5.301 4.198 ( 0.000 0.000 15.096) 15.096 4.447 ( 0.000 0.000 17.922) 17.922 4.883 ( -0.000 -0.000 -2.996) 2.996 4.919 ( 0.000 0.000 0.525) 0.525 5.140 ( -0.000 -0.000 -1.384) 1.384 5.151 ( 0.000 0.000 0.835) 0.835 5.303 ( -0.000 -0.000 -0.953) 0.953 5.346 ( 0.000 0.000 1.358) 1.358 5.437 ( -0.000 -0.000 -0.161) 0.161 6.100 ( 0.000 0.000 0.014) 0.014 6.244 ( -0.000 -0.000 -0.242) 0.242 6.714 ( -0.000 -0.000 -0.817) 0.817 7.175 ( -0.000 -0.000 -7.568) 7.568 7.489 ( -0.000 -0.000 -8.241) 8.241 8.995 ( -0.000 -0.000 -10.735) 10.735 12.725 ( 0.000 0.000 1.264) 1.264 13.001 ( -0.000 -0.000 -0.518) 0.518 13.363 ( 0.000 0.000 2.680) 2.680 14.062 ( -0.000 -0.000 -1.551) 1.551 17.516 ( -0.000 -0.000 -0.615) 0.615 17.631 ( -0.000 -0.000 -0.805) 0.805 17.821 ( 0.000 0.000 0.419) 0.419 17.959 ( -0.000 -0.000 -0.298) 0.298 18.196 ( 0.000 0.000 1.737) 1.737 18.546 ( 0.000 0.000 0.038) 0.038 28.181 ( 0.000 0.000 0.384) 0.384 28.264 ( -0.000 -0.000 -0.040) 0.040 31.517 ( 0.000 0.000 2.155) 2.155 32.095 ( 0.000 0.000 1.111) 1.111 32.327 ( -0.000 -0.000 -2.315) 2.315 32.478 ( -0.000 -0.000 -1.186) 1.186 33.069 ( 0.000 0.000 2.529) 2.529 33.918 ( -0.000 -0.000 -2.282) 2.282 ======================= Grid point 13 (8/216) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -15.738 14.242 16.082) 26.630 1.054 ( -32.314 7.694 19.720) 38.630 1.537 ( -11.060 11.299 51.801) 54.161 2.373 ( -6.160 4.098 -10.081) 12.505 2.612 ( -14.624 7.639 -2.390) 16.671 3.041 ( -2.602 2.852 9.891) 10.618 3.292 ( -6.694 4.959 26.062) 27.361 3.734 ( 1.017 -0.047 -18.217) 18.245 3.829 ( 3.548 -0.255 -4.774) 5.953 4.226 ( 10.347 -2.299 18.246) 21.101 4.558 ( 2.497 -10.001 12.851) 16.475 4.785 ( 1.665 -1.727 -3.674) 4.388 4.944 ( 0.758 8.020 3.617) 8.831 4.966 ( 10.486 -5.919 -1.059) 12.088 5.301 ( 4.467 3.613 -2.026) 6.092 5.385 ( -0.746 9.977 1.627) 10.136 5.546 ( -14.396 -1.468 -1.754) 14.577 5.649 ( -23.958 6.061 -19.043) 31.199 6.108 ( 1.861 1.224 -2.344) 3.234 6.278 ( -2.576 4.157 -2.336) 5.420 6.794 ( -10.455 2.459 -7.985) 13.383 7.092 ( 1.782 0.015 -11.764) 11.898 7.413 ( 0.031 -0.163 -10.464) 10.466 8.609 ( 21.499 -11.838 0.570) 24.549 12.718 ( 1.351 0.344 1.184) 1.829 12.984 ( 1.366 -0.203 -0.768) 1.580 13.383 ( -0.234 -0.833 3.621) 3.723 14.033 ( 0.972 -1.339 -2.259) 2.800 17.472 ( 2.770 -1.238 1.966) 3.616 17.619 ( -1.405 -1.949 -1.393) 2.778 17.772 ( -1.810 -7.753 4.856) 9.326 17.950 ( 1.112 1.206 -0.595) 1.745 18.298 ( 1.112 11.785 -0.996) 11.879 18.561 ( -0.989 0.654 0.274) 1.217 28.191 ( -0.725 -0.037 0.498) 0.880 28.257 ( 0.741 -0.037 -0.025) 0.742 31.545 ( 0.695 2.308 3.151) 3.967 31.891 ( 10.395 -15.350 13.667) 23.032 32.179 ( 6.519 7.607 1.022) 10.071 32.444 ( 2.792 2.808 -2.879) 4.896 33.051 ( 2.920 -4.821 4.422) 7.163 34.197 ( -14.727 8.936 -15.478) 23.158 ======================= Grid point 14 (9/216) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -14.909 13.786 12.732) 23.968 1.677 ( -18.843 5.347 25.409) 32.082 2.184 ( -15.420 12.593 22.728) 30.214 2.522 ( -16.363 5.898 -0.376) 17.398 2.980 ( -19.914 12.926 -2.162) 23.839 3.211 ( -4.103 4.961 10.164) 12.032 3.521 ( 4.826 4.398 0.312) 6.537 3.571 ( 0.319 -3.560 -16.210) 16.600 3.871 ( -8.773 2.196 20.819) 22.698 4.139 ( 12.282 -4.289 16.985) 21.394 4.445 ( 5.402 -11.717 6.199) 14.315 4.702 ( 5.901 -6.844 -1.835) 9.221 4.732 ( 4.345 -4.126 -1.637) 6.212 5.103 ( 0.150 3.339 11.218) 11.705 5.216 ( 7.871 10.568 -5.800) 14.397 5.473 ( 5.687 12.916 0.730) 14.132 5.737 ( -12.355 -3.393 1.920) 12.955 5.810 ( -15.076 -6.467 -12.766) 20.787 6.073 ( 1.949 2.534 0.406) 3.222 6.297 ( 1.476 1.489 -2.821) 3.515 6.915 ( -9.849 3.263 -12.353) 16.132 6.950 ( 2.944 0.782 -14.959) 15.266 7.349 ( -1.812 -0.189 -9.648) 9.818 8.191 ( 19.822 -8.700 -2.268) 21.766 12.715 ( 0.628 0.721 0.618) 1.138 12.946 ( 2.261 -0.321 -0.988) 2.488 13.410 ( -0.530 -0.676 4.086) 4.175 13.977 ( 1.629 -2.210 -2.785) 3.911 17.445 ( 1.011 -1.153 1.148) 1.916 17.621 ( -1.924 -0.717 -1.789) 2.723 17.780 ( -1.267 -4.228 4.359) 6.203 17.938 ( 1.521 1.626 -0.766) 2.354 18.365 ( 0.415 6.402 0.127) 6.416 18.586 ( -0.456 1.262 0.828) 1.577 28.207 ( -0.914 -0.182 0.366) 1.001 28.244 ( 0.876 0.118 0.170) 0.900 31.572 ( 2.343 2.109 4.182) 5.237 31.802 ( 0.845 -3.672 5.450) 6.625 32.166 ( 1.983 1.958 -0.358) 2.810 32.405 ( 3.472 4.697 -3.311) 6.714 32.966 ( 4.280 -9.289 6.418) 12.074 34.320 ( -6.717 5.961 -11.137) 14.307 ======================= Grid point 15 (10/216) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -11.324 12.359 11.381) 20.261 2.127 ( -10.655 5.993 20.345) 23.735 2.504 ( -9.838 4.616 4.446) 11.741 2.965 ( -20.252 4.203 9.705) 22.847 3.201 ( 6.684 -4.026 -7.759) 11.004 3.362 ( -7.095 12.553 -0.697) 14.436 3.423 ( 2.302 -0.331 -5.555) 6.022 3.589 ( -10.868 6.695 4.522) 13.542 4.063 ( 6.359 -2.097 12.076) 13.808 4.194 ( -3.411 0.318 13.551) 13.977 4.307 ( 6.081 -3.065 4.109) 7.954 4.547 ( 2.947 -4.434 2.605) 5.928 4.719 ( -4.214 -4.672 7.098) 9.485 5.060 ( 4.356 2.981 -0.744) 5.330 5.288 ( 1.176 9.991 3.706) 10.721 5.440 ( 8.207 4.767 0.418) 9.500 5.826 ( -4.722 -3.461 -6.280) 8.585 5.907 ( -9.907 -3.785 0.497) 10.618 6.087 ( 1.139 2.236 -0.673) 2.598 6.236 ( 2.167 -2.176 -3.759) 4.854 6.806 ( 1.798 1.185 -9.969) 10.199 6.993 ( -7.363 3.301 -14.138) 16.279 7.323 ( -3.423 -0.246 -8.049) 8.751 7.799 ( 18.227 -6.795 -3.244) 19.721 12.721 ( -0.008 0.838 0.458) 0.954 12.898 ( 2.397 -0.322 -1.120) 2.666 13.445 ( -0.614 -0.394 4.084) 4.149 13.907 ( 1.766 -2.322 -2.969) 4.163 17.431 ( 0.286 -0.727 0.067) 0.784 17.636 ( -1.888 0.319 -1.833) 2.650 17.788 ( -0.395 -3.484 3.775) 5.152 17.923 ( 1.447 1.406 -0.812) 2.175 18.407 ( 0.038 3.247 0.284) 3.259 18.609 ( 0.143 1.504 1.041) 1.834 28.215 ( -0.295 -0.417 -0.016) 0.511 28.241 ( 0.220 0.413 0.488) 0.676 31.570 ( 3.495 1.300 3.454) 5.083 31.824 ( -2.867 -0.213 -1.470) 3.229 32.154 ( 0.890 1.760 0.087) 1.974 32.383 ( 3.126 6.196 -2.707) 7.449 32.851 ( 4.171 -12.385 7.688) 15.163 34.377 ( -3.855 4.590 -7.915) 9.928 ======================= Grid point 16 (11/216) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -7.633 9.858 9.516) 15.685 2.420 ( -5.985 6.628 8.645) 12.430 2.684 ( -2.958 -3.294 6.217) 7.632 2.950 ( 6.638 -1.779 -8.556) 10.974 3.245 ( -12.745 -5.753 -2.336) 14.177 3.353 ( 0.152 3.241 -1.163) 3.447 3.581 ( -1.006 9.008 8.907) 12.708 3.782 ( 2.641 1.268 11.921) 12.276 4.037 ( 6.406 0.399 2.602) 6.926 4.130 ( 4.981 -7.956 0.605) 9.406 4.392 ( -8.941 11.567 0.816) 14.642 4.527 ( 0.307 -1.970 0.737) 2.125 4.839 ( -6.450 -3.746 10.387) 12.788 5.069 ( 4.546 4.222 -3.109) 6.939 5.358 ( -0.496 5.519 0.258) 5.547 5.469 ( -5.197 4.430 10.856) 12.825 5.744 ( 6.250 -0.983 -5.196) 8.187 5.970 ( 4.465 -1.837 -5.059) 6.994 6.050 ( -7.133 -4.606 -4.288) 9.512 6.169 ( 0.644 0.137 -2.444) 2.531 6.802 ( -3.121 0.888 2.102) 3.867 6.987 ( -3.134 1.929 -16.531) 16.935 7.324 ( -3.716 -0.550 -6.311) 7.344 7.487 ( 13.118 -4.271 1.653) 13.894 12.735 ( -0.314 0.695 0.501) 0.913 12.855 ( 1.735 -0.185 -1.008) 2.015 13.477 ( -0.239 -0.473 3.179) 3.223 13.844 ( 1.189 -1.451 -2.422) 3.064 17.423 ( -0.103 -0.314 -0.525) 0.621 17.657 ( -1.579 1.109 -1.712) 2.579 17.782 ( 0.447 -3.193 3.115) 4.483 17.909 ( 0.848 0.831 -0.722) 1.389 18.430 ( -0.152 1.328 0.134) 1.343 18.622 ( 0.728 1.161 0.723) 1.550 28.216 ( -0.414 -0.197 -0.023) 0.459 28.244 ( 0.408 0.254 0.299) 0.566 31.541 ( 3.511 0.568 1.417) 3.829 31.850 ( -3.589 -0.006 -4.285) 5.590 32.189 ( -1.110 3.547 1.603) 4.048 32.379 ( 4.155 9.089 -2.485) 10.298 32.723 ( 2.971 -15.331 7.541) 17.342 34.415 ( -2.785 3.089 -5.137) 6.609 ======================= Grid point 17 (12/216) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.316 1.131 4.180) 4.341 2.443 ( 6.266 -2.591 -11.158) 13.057 2.706 ( -1.796 5.127 12.648) 13.765 2.922 ( -4.248 -1.380 -2.462) 5.100 3.296 ( -3.180 -0.821 -4.754) 5.779 3.408 ( -1.567 -2.157 3.711) 4.569 3.716 ( 6.868 6.671 16.731) 19.277 3.762 ( 4.168 0.845 3.191) 5.316 3.956 ( 4.982 -2.013 0.973) 5.461 4.003 ( 1.486 -3.081 2.701) 4.359 4.495 ( 0.986 -0.285 -3.029) 3.198 4.648 ( -6.821 5.891 -0.240) 9.016 4.878 ( 7.460 2.527 -9.674) 12.475 5.024 ( -3.604 -1.255 5.629) 6.801 5.433 ( -3.390 2.513 -0.700) 4.278 5.523 ( 7.062 -0.967 -11.500) 13.530 5.668 ( 2.694 -4.215 -0.636) 5.043 5.843 ( -4.850 -0.487 2.896) 5.670 6.127 ( -5.411 -1.046 0.320) 5.520 6.173 ( 2.625 4.856 1.708) 5.778 6.875 ( -1.122 -1.794 0.488) 2.171 6.958 ( -7.601 2.134 -4.291) 8.985 7.322 ( -0.071 -1.371 -0.254) 1.396 7.361 ( 2.261 -0.457 0.662) 2.400 12.747 ( -0.083 0.310 0.465) 0.565 12.832 ( 0.344 0.117 -0.505) 0.622 13.483 ( 0.702 -1.142 1.135) 1.757 13.817 ( -0.130 0.340 -0.835) 0.911 17.420 ( -0.326 -0.121 -0.644) 0.732 17.679 ( -1.023 1.760 -1.496) 2.527 17.762 ( 1.144 -2.621 2.359) 3.707 17.903 ( -0.144 0.082 -0.433) 0.463 18.441 ( -0.380 0.026 0.132) 0.403 18.618 ( 0.992 0.498 -0.098) 1.115 28.224 ( -0.624 0.038 -0.034) 0.626 28.237 ( 0.786 0.058 0.063) 0.790 31.505 ( 1.538 -0.375 -0.053) 1.584 31.885 ( -3.455 1.656 -2.525) 4.588 32.252 ( -0.645 2.573 1.489) 3.042 32.389 ( 5.675 14.461 -2.683) 15.765 32.588 ( 0.024 -18.766 5.774) 19.634 34.449 ( -2.578 1.359 -2.429) 3.794 ======================= Grid point 18 (13/216) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 10.973 -8.258 -6.320) 15.118 2.255 ( 4.669 -6.096 -9.419) 12.152 2.922 ( -1.741 5.721 16.619) 17.662 2.979 ( -5.314 3.993 -3.109) 7.338 3.229 ( 7.536 -0.627 -0.594) 7.585 3.386 ( 1.629 -3.758 -1.594) 4.395 3.657 ( 11.410 4.626 5.722) 13.576 3.814 ( 0.872 -2.156 7.776) 8.116 3.933 ( -4.662 -1.078 -0.236) 4.791 4.054 ( 0.299 3.065 6.532) 7.221 4.426 ( 2.099 0.725 -8.489) 8.775 4.617 ( 8.269 -6.184 -4.334) 11.198 4.698 ( 8.602 3.560 -7.212) 11.776 5.107 ( -4.400 -1.834 2.902) 5.581 5.221 ( 9.171 -4.158 -21.643) 23.871 5.425 ( 0.820 -4.375 -0.010) 4.451 5.732 ( -10.345 0.791 6.375) 12.177 5.963 ( -6.110 -1.752 0.930) 6.424 6.148 ( 6.802 5.287 0.302) 8.620 6.199 ( -0.136 3.616 0.894) 3.727 6.918 ( -3.720 -2.767 9.708) 10.759 7.136 ( -12.750 2.837 -4.958) 13.971 7.337 ( 0.967 1.332 9.699) 9.838 7.357 ( -2.723 0.202 -3.669) 4.574 12.749 ( 0.457 -0.022 0.422) 0.622 12.840 ( -1.237 0.392 0.090) 1.300 13.453 ( 1.420 -1.558 -0.677) 2.214 13.840 ( -1.362 1.968 0.595) 2.466 17.420 ( -0.339 -0.268 -0.653) 0.783 17.697 ( -0.144 2.159 -1.213) 2.481 17.735 ( 1.542 -1.601 1.481) 2.671 17.909 ( -1.177 -0.766 -0.053) 1.406 18.445 ( -0.534 -1.248 0.329) 1.396 18.601 ( 0.775 -0.131 -1.046) 1.308 28.224 ( 0.674 -0.033 0.004) 0.675 28.233 ( -0.341 0.139 -0.172) 0.407 31.489 ( -0.508 -0.816 -0.900) 1.317 31.953 ( -2.641 3.325 1.291) 4.438 32.236 ( 7.191 2.701 0.404) 7.692 32.448 ( 0.761 12.059 -2.359) 12.311 32.479 ( -4.143 -16.341 2.371) 17.024 34.484 ( -2.532 -0.380 -0.072) 2.562 ======================= Grid point 19 (14/216) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 13.605 -9.145 -9.275) 18.835 1.984 ( 9.355 -14.332 -8.753) 19.223 2.926 ( 17.813 -1.135 14.153) 22.779 3.056 ( 6.414 7.000 -4.207) 10.384 3.217 ( -3.796 -0.912 -0.124) 3.906 3.307 ( -3.803 -1.282 -0.121) 4.015 3.578 ( 8.100 4.704 -3.935) 10.160 3.766 ( 8.421 -0.704 10.090) 13.162 3.999 ( 0.702 -0.785 0.471) 1.154 4.048 ( 0.976 -3.635 -3.895) 5.416 4.261 ( 14.346 -10.767 -7.970) 19.628 4.394 ( 0.287 2.242 -3.204) 3.921 4.630 ( -0.989 2.853 -0.967) 3.171 4.943 ( 3.153 -2.413 -12.878) 13.476 5.190 ( -5.097 0.729 -0.912) 5.230 5.402 ( -5.822 -8.986 1.073) 10.761 5.948 ( -4.202 3.078 6.041) 7.977 5.993 ( 1.090 0.757 0.493) 1.416 6.082 ( 3.719 2.247 -1.253) 4.523 6.234 ( -1.787 1.333 0.460) 2.276 7.052 ( -3.815 -1.345 13.339) 13.939 7.245 ( -5.450 -0.575 -2.573) 6.054 7.362 ( -2.543 0.842 -3.997) 4.812 7.532 ( -8.841 7.026 6.619) 13.089 12.743 ( 0.711 -0.019 0.589) 0.923 12.873 ( -2.198 0.460 0.280) 2.263 13.409 ( 1.435 -1.296 -1.184) 2.267 13.896 ( -1.967 2.783 0.944) 3.536 17.414 ( -0.179 -0.646 -0.852) 1.085 17.699 ( 1.578 0.714 0.410) 1.780 17.713 ( 1.106 1.224 -0.678) 1.783 17.923 ( -1.916 -1.592 0.197) 2.499 18.438 ( -0.665 -2.939 0.520) 3.057 18.579 ( 0.370 -0.588 -1.567) 1.714 28.218 ( 0.105 -0.020 0.101) 0.147 28.233 ( 0.283 0.121 -0.346) 0.463 31.485 ( -0.798 -0.513 -1.546) 1.814 32.010 ( 5.065 1.008 5.505) 7.548 32.131 ( 2.599 0.211 -2.659) 3.724 32.438 ( -6.692 -13.219 1.237) 14.868 32.556 ( -1.202 13.736 -3.070) 14.126 34.516 ( -2.149 -1.857 1.526) 3.224 ======================= Grid point 20 (15/216) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 16.545 -11.124 -9.472) 22.072 1.587 ( 14.979 -18.435 -5.430) 24.366 2.586 ( 33.121 -3.184 2.064) 33.338 2.889 ( 14.701 -1.250 4.468) 15.416 3.152 ( 3.469 -3.273 -6.817) 8.320 3.316 ( 9.801 -6.422 -2.052) 11.896 3.550 ( -9.868 1.477 1.455) 10.084 3.680 ( 14.823 -15.826 -1.781) 21.757 3.828 ( 5.760 -1.690 -2.449) 6.483 3.914 ( 1.827 4.059 9.685) 10.659 4.110 ( 0.107 7.606 -10.876) 13.272 4.490 ( -9.794 5.593 -0.621) 11.296 4.735 ( -3.884 2.293 4.821) 6.602 4.849 ( -1.285 0.135 -9.374) 9.462 5.272 ( -4.555 0.431 1.342) 4.768 5.435 ( -11.550 -15.622 -0.280) 19.430 5.871 ( 10.627 2.940 0.022) 11.026 6.043 ( 0.263 -2.258 0.594) 2.350 6.081 ( 2.579 7.326 2.017) 8.025 6.318 ( -7.444 -1.964 2.264) 8.024 7.172 ( -1.775 -0.122 7.561) 7.768 7.320 ( -3.819 -0.190 6.153) 7.244 7.400 ( -4.463 0.875 -1.947) 4.947 7.754 ( -7.229 8.945 -3.243) 11.950 12.736 ( 0.841 0.156 0.568) 1.027 12.917 ( -2.574 0.456 0.199) 2.622 13.372 ( 1.036 -0.778 -0.788) 1.516 13.960 ( -2.075 2.926 0.623) 3.641 17.401 ( -0.010 -0.939 -1.007) 1.377 17.678 ( 1.838 0.156 0.855) 2.033 17.703 ( 2.118 3.198 -1.339) 4.063 17.939 ( -2.155 -2.135 0.204) 3.040 18.417 ( -1.180 -5.495 0.457) 5.639 18.559 ( 0.018 -0.753 -1.205) 1.421 28.218 ( 0.881 0.213 0.169) 0.922 28.227 ( -0.604 -0.101 -0.341) 0.701 31.478 ( 0.178 0.404 -1.508) 1.571 31.870 ( 9.560 -4.585 0.826) 10.635 32.151 ( -1.731 0.765 -0.067) 1.894 32.445 ( -6.204 -9.136 0.930) 11.082 32.699 ( -3.752 12.644 -1.944) 13.332 34.536 ( -1.432 -2.765 2.021) 3.712 ======================= Grid point 21 (16/216) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 19.178 -12.983 0.000) 23.160 1.112 ( 20.135 -20.165 0.000) 28.496 1.889 ( 45.590 -12.671 0.000) 47.318 2.703 ( 11.419 -0.151 0.000) 11.420 2.962 ( 10.950 -1.844 0.000) 11.104 3.103 ( 6.564 -9.270 0.000) 11.359 3.156 ( 20.072 -22.002 0.000) 29.782 3.758 ( -10.222 1.634 -0.000) 10.352 3.854 ( -7.763 2.272 -0.000) 8.088 4.065 ( 1.160 3.435 -0.000) 3.625 4.130 ( -3.097 13.117 -0.000) 13.478 4.725 ( -11.880 7.291 -0.000) 13.939 4.809 ( 0.225 4.065 -0.000) 4.071 4.850 ( -3.884 -0.823 -0.000) 3.971 5.337 ( -2.549 -0.939 0.000) 2.717 5.434 ( -9.595 -20.484 0.000) 22.620 5.723 ( 10.963 1.223 0.000) 11.031 6.010 ( -0.010 -4.219 0.000) 4.219 6.130 ( 2.747 11.211 -0.000) 11.542 6.416 ( -7.414 -5.198 0.000) 9.055 7.215 ( -0.744 0.173 -0.000) 0.764 7.443 ( -5.207 0.167 -0.000) 5.210 7.471 ( -3.908 1.267 -0.000) 4.108 7.871 ( -0.723 10.608 -0.000) 10.633 12.727 ( 0.815 0.257 0.000) 0.855 12.961 ( -2.305 0.387 -0.000) 2.338 13.352 ( 0.549 -0.321 0.000) 0.636 14.018 ( -1.744 2.450 -0.000) 3.007 17.386 ( 0.062 -0.862 0.000) 0.864 17.659 ( 1.335 0.073 0.000) 1.337 17.689 ( 4.037 5.582 -0.000) 6.888 17.952 ( -1.834 -2.061 0.000) 2.759 18.382 ( -3.232 -9.533 0.000) 10.067 18.548 ( -0.180 -0.697 0.000) 0.720 28.201 ( 1.246 0.106 0.000) 1.250 28.241 ( -1.151 0.019 -0.000) 1.151 31.469 ( 1.318 1.804 -0.000) 2.234 31.693 ( 6.510 -5.991 0.000) 8.847 32.166 ( -1.447 -2.427 0.000) 2.826 32.465 ( -4.838 -6.110 0.000) 7.794 32.866 ( -4.496 10.050 -0.000) 11.010 34.536 ( -0.703 -2.781 0.000) 2.869 ======================= Grid point 24 (17/216) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.000 0.000 23.123) 23.123 0.829 ( 0.000 0.000 25.772) 25.772 1.886 ( 0.000 0.000 61.312) 61.312 2.209 ( -0.000 -0.000 -9.587) 9.587 2.448 ( -0.000 -0.000 -2.881) 2.881 3.092 ( 0.000 0.000 12.566) 12.566 3.418 ( 0.000 0.000 26.565) 26.565 3.603 ( -0.000 -0.000 -16.661) 16.661 3.803 ( -0.000 -0.000 -5.028) 5.028 4.505 ( 0.000 0.000 25.374) 25.374 4.700 ( 0.000 0.000 15.660) 15.660 4.818 ( -0.000 -0.000 -5.830) 5.830 4.930 ( 0.000 0.000 1.054) 1.054 5.112 ( -0.000 -0.000 -2.393) 2.393 5.168 ( 0.000 0.000 1.538) 1.538 5.284 ( -0.000 -0.000 -1.523) 1.523 5.370 ( 0.000 0.000 1.133) 1.133 5.445 ( 0.000 0.000 2.065) 2.065 6.102 ( 0.000 0.000 0.332) 0.332 6.238 ( -0.000 -0.000 -0.586) 0.586 6.692 ( -0.000 -0.000 -2.389) 2.389 7.012 ( -0.000 -0.000 -14.290) 14.290 7.315 ( -0.000 -0.000 -14.853) 14.853 8.763 ( -0.000 -0.000 -20.315) 20.315 12.751 ( 0.000 0.000 2.189) 2.189 12.989 ( -0.000 -0.000 -1.047) 1.047 13.420 ( 0.000 0.000 4.904) 4.904 14.028 ( -0.000 -0.000 -3.038) 3.038 17.504 ( -0.000 -0.000 -0.815) 0.815 17.613 ( -0.000 -0.000 -1.505) 1.505 17.830 ( 0.000 0.000 0.810) 0.810 17.952 ( -0.000 -0.000 -0.610) 0.610 18.233 ( 0.000 0.000 3.194) 3.194 18.544 ( -0.000 -0.000 -0.272) 0.272 28.190 ( 0.000 0.000 0.710) 0.710 28.263 ( -0.000 -0.000 -0.134) 0.134 31.564 ( 0.000 0.000 4.147) 4.147 32.120 ( 0.000 0.000 2.149) 2.149 32.276 ( -0.000 -0.000 -4.606) 4.606 32.453 ( -0.000 -0.000 -2.086) 2.086 33.124 ( 0.000 0.000 4.827) 4.827 33.868 ( -0.000 -0.000 -4.411) 4.411 ======================= Grid point 25 (18/216) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -10.378 12.120 19.030) 24.835 1.327 ( -28.967 8.499 18.137) 35.218 2.219 ( -3.324 5.515 1.691) 6.658 2.371 ( -3.417 5.575 45.714) 46.179 2.568 ( -14.745 7.473 -3.707) 16.941 3.217 ( -2.208 1.669 13.617) 13.895 3.481 ( 0.555 -0.781 -15.658) 15.688 3.558 ( 2.539 2.200 0.607) 3.414 3.886 ( -6.984 1.341 21.560) 22.703 4.539 ( 13.062 -5.339 21.746) 25.923 4.688 ( 7.414 -6.238 3.252) 10.220 4.740 ( -0.065 -8.397 0.002) 8.397 4.932 ( 10.702 -5.568 -2.495) 12.319 5.027 ( -0.636 16.704 5.751) 17.678 5.283 ( 3.961 -0.039 -0.174) 3.965 5.402 ( 0.614 9.103 -0.640) 9.146 5.441 ( -23.731 -2.376 -4.983) 24.364 5.585 ( -11.662 0.540 2.927) 12.036 6.097 ( 2.578 1.729 0.230) 3.112 6.257 ( -1.806 1.531 -1.194) 2.652 6.706 ( -4.152 1.588 -5.525) 7.092 6.877 ( 2.333 0.213 -16.537) 16.702 7.219 ( -2.466 0.127 -15.262) 15.461 8.458 ( 13.314 -5.272 -18.216) 23.171 12.747 ( 2.195 0.186 2.478) 3.316 12.969 ( 1.368 -0.162 -1.310) 1.901 13.452 ( 0.040 -1.129 5.605) 5.717 13.989 ( 0.913 -1.244 -3.669) 3.981 17.482 ( 1.145 -1.377 -0.008) 1.791 17.595 ( -0.979 -1.723 -1.827) 2.695 17.828 ( -0.929 -3.085 2.794) 4.264 17.941 ( 1.029 0.799 -0.639) 1.451 18.306 ( -0.649 6.525 1.900) 6.827 18.558 ( -1.483 0.758 -0.670) 1.795 28.200 ( -0.580 -0.054 0.738) 0.941 28.256 ( 0.615 -0.022 -0.123) 0.627 31.603 ( 1.116 2.639 4.692) 5.498 32.022 ( 7.717 -12.315 5.391) 15.501 32.179 ( 4.432 4.105 -1.228) 6.164 32.398 ( 3.247 1.941 -3.148) 4.921 33.133 ( 2.432 -3.926 6.668) 8.111 34.006 ( -12.364 7.432 -11.072) 18.184 ======================= Grid point 26 (19/216) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -11.511 13.324 14.526) 22.826 1.940 ( -21.591 7.848 12.196) 26.010 2.370 ( -11.436 3.340 1.713) 12.036 2.819 ( -5.185 9.003 36.289) 37.746 2.945 ( -20.009 14.685 -1.561) 24.869 3.336 ( 3.532 -1.699 -0.601) 3.965 3.353 ( -2.878 -1.877 -10.449) 10.999 3.482 ( 2.948 5.098 1.964) 6.208 4.228 ( -6.168 1.114 21.690) 22.577 4.403 ( 11.394 -7.665 15.666) 20.833 4.531 ( 10.483 -6.543 8.520) 15.010 4.677 ( 2.345 -8.207 -0.916) 8.585 4.731 ( 1.777 -0.584 2.815) 3.379 5.132 ( 9.943 7.180 -4.688) 13.130 5.238 ( -0.492 5.137 6.160) 8.036 5.462 ( 3.077 8.980 -2.351) 9.779 5.670 ( -14.004 -3.194 -5.787) 15.485 5.783 ( -12.069 -4.236 3.395) 13.234 6.079 ( 2.137 2.746 -0.254) 3.489 6.256 ( 1.809 0.061 -3.360) 3.817 6.741 ( 0.543 0.650 -10.996) 11.029 6.754 ( -5.886 3.568 -10.561) 12.606 7.175 ( -5.017 0.394 -13.100) 14.033 8.059 ( 15.082 -5.213 -14.388) 21.487 12.736 ( 1.731 0.630 2.191) 2.863 12.928 ( 2.237 -0.230 -1.559) 2.737 13.483 ( -0.110 -1.208 5.708) 5.835 13.926 ( 1.460 -1.960 -4.057) 4.736 17.451 ( 0.662 -1.999 -0.097) 2.108 17.593 ( -1.763 -0.410 -1.955) 2.664 17.838 ( -0.605 -2.699 3.329) 4.328 17.927 ( 1.323 1.088 -0.663) 1.837 18.377 ( -0.320 4.218 1.478) 4.481 18.587 ( -1.202 1.774 -0.642) 2.237 28.213 ( -0.550 -0.321 0.415) 0.761 28.247 ( 0.581 0.262 0.140) 0.653 31.633 ( 3.292 3.234 4.274) 6.290 31.870 ( 4.774 -5.479 3.338) 7.997 32.154 ( 1.520 1.407 -1.289) 2.439 32.357 ( 2.205 3.342 -3.029) 5.020 33.077 ( 3.787 -9.342 8.332) 13.078 34.153 ( -8.680 7.108 -11.177) 15.836 ======================= Grid point 27 (20/216) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -9.029 12.981 10.927) 19.221 2.286 ( -8.930 7.191 4.628) 12.364 2.659 ( -14.809 -0.985 11.000) 18.474 3.059 ( 4.365 -4.982 -4.189) 7.837 3.146 ( 2.423 -2.505 -2.350) 4.203 3.302 ( -2.112 9.335 10.022) 13.857 3.442 ( -12.174 10.678 2.210) 16.343 3.695 ( -11.987 9.653 9.067) 17.863 4.225 ( 8.426 -4.983 6.968) 12.016 4.293 ( 6.885 -6.731 1.626) 9.765 4.408 ( 12.498 1.563 11.094) 16.785 4.574 ( 0.574 -5.129 1.681) 5.428 4.883 ( -2.955 -2.832 10.102) 10.899 5.042 ( 2.516 8.038 0.154) 8.424 5.315 ( 0.231 4.227 1.228) 4.408 5.452 ( 1.398 3.947 0.510) 4.218 5.747 ( -2.119 0.299 -4.259) 4.767 5.919 ( -9.756 -3.697 -1.523) 10.544 6.025 ( 4.244 -1.062 -6.217) 7.602 6.173 ( 2.895 -0.301 -3.229) 4.347 6.750 ( -5.073 0.311 0.951) 5.171 6.780 ( -4.233 4.098 -13.684) 14.899 7.186 ( -6.316 0.325 -8.855) 10.881 7.711 ( 12.424 -4.355 -8.527) 15.685 12.738 ( 0.804 0.791 1.755) 2.086 12.878 ( 2.241 -0.151 -1.663) 2.795 13.514 ( 0.076 -1.217 5.096) 5.240 13.855 ( 1.357 -1.732 -3.904) 4.481 17.426 ( 0.102 -1.472 -0.615) 1.599 17.609 ( -1.886 0.545 -1.706) 2.601 17.840 ( 0.155 -2.847 3.101) 4.213 17.911 ( 1.179 0.832 -0.753) 1.628 18.417 ( -0.190 1.779 0.896) 2.001 18.615 ( -0.169 2.231 -0.210) 2.248 28.215 ( -0.191 -0.513 0.018) 0.547 28.247 ( 0.260 0.527 0.361) 0.690 31.614 ( 5.050 1.446 2.433) 5.788 31.808 ( 0.743 -1.589 -0.819) 1.936 32.155 ( 0.443 4.025 -0.003) 4.049 32.344 ( 1.654 4.195 -2.388) 5.102 32.973 ( 3.901 -13.400 8.442) 16.311 34.254 ( -6.167 5.930 -8.438) 12.016 ======================= Grid point 28 (21/216) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -5.221 10.250 7.346) 13.649 2.472 ( -2.397 3.332 2.891) 5.021 2.739 ( 6.990 -3.137 -3.734) 8.523 2.923 ( -1.102 -5.042 1.189) 5.296 3.140 ( -10.893 -0.435 -4.518) 11.801 3.452 ( 1.093 1.322 10.003) 10.149 3.708 ( -4.401 8.217 10.396) 13.963 3.980 ( 4.478 6.219 8.607) 11.524 4.126 ( 8.468 -1.961 7.595) 11.543 4.128 ( 3.812 -6.837 3.541) 8.591 4.372 ( -2.141 6.620 -2.277) 7.321 4.555 ( 0.531 0.204 3.315) 3.364 4.893 ( 1.943 -1.160 -4.802) 5.308 5.027 ( 4.543 5.312 -0.531) 7.010 5.350 ( -0.929 1.873 -4.135) 4.633 5.527 ( 0.725 2.109 -4.670) 5.176 5.721 ( -1.442 -1.128 3.799) 4.217 5.849 ( 4.130 -4.188 -6.531) 8.789 6.036 ( -7.452 -1.491 0.581) 7.622 6.165 ( -0.161 3.104 2.075) 3.737 6.773 ( -3.529 3.487 -10.843) 11.924 6.861 ( -6.594 -0.736 2.277) 7.015 7.234 ( -5.673 -0.752 -3.747) 6.840 7.485 ( 7.267 -2.803 -2.122) 8.073 12.749 ( 0.235 0.608 1.280) 1.436 12.837 ( 1.338 0.105 -1.349) 1.903 13.525 ( 0.900 -1.835 3.208) 3.803 13.806 ( 0.360 -0.278 -2.537) 2.577 17.412 ( -0.343 -0.726 -0.785) 1.123 17.634 ( -1.651 1.190 -1.279) 2.404 17.825 ( 1.065 -2.918 2.574) 4.034 17.898 ( 0.378 0.384 -0.797) 0.963 18.434 ( -0.393 0.356 0.365) 0.644 18.626 ( 1.027 1.691 -0.076) 1.980 28.216 ( -0.458 -0.252 -0.016) 0.523 28.247 ( 0.647 0.357 0.168) 0.758 31.554 ( 4.177 -0.245 0.388) 4.202 31.802 ( -2.018 0.873 -2.256) 3.150 32.212 ( -0.160 6.568 1.590) 6.759 32.342 ( 2.762 6.469 -2.400) 7.432 32.833 ( 3.402 -16.577 6.891) 18.271 34.336 ( -5.083 4.054 -5.090) 8.257 ======================= Grid point 29 (22/216) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 5.651 -3.217 2.860) 7.103 2.315 ( 9.351 -2.656 -5.857) 11.349 2.788 ( -7.057 5.218 0.440) 8.788 2.912 ( -3.746 2.064 -0.882) 4.367 3.309 ( -5.809 0.069 4.998) 7.664 3.449 ( 3.138 -2.968 2.095) 4.800 3.839 ( 9.091 1.776 7.346) 11.822 3.914 ( 6.310 4.629 8.433) 11.505 3.959 ( 4.779 -4.923 -0.179) 6.864 4.169 ( 4.726 1.120 20.015) 20.596 4.378 ( 1.813 1.271 -13.310) 13.492 4.650 ( -0.193 3.613 -0.897) 3.728 4.728 ( 5.622 3.441 -7.977) 10.348 5.071 ( -1.687 0.562 -1.291) 2.198 5.237 ( 5.586 -1.760 -16.821) 17.812 5.461 ( 1.377 0.189 0.272) 1.416 5.686 ( -1.321 -6.048 2.441) 6.654 5.874 ( -7.584 -2.063 0.046) 7.860 6.132 ( -5.189 -0.254 0.244) 5.201 6.207 ( 6.067 8.660 2.002) 10.762 6.862 ( -10.018 2.015 1.453) 10.322 6.966 ( -6.728 -0.622 0.756) 6.799 7.273 ( -3.829 -1.876 -3.846) 5.742 7.399 ( 2.076 -0.207 2.458) 3.224 12.756 ( 0.311 0.246 0.617) 0.733 12.824 ( -0.208 0.439 -0.517) 0.709 13.497 ( 1.784 -2.462 0.769) 3.136 13.806 ( -0.942 1.510 -0.546) 1.862 17.410 ( -0.538 -0.307 -0.636) 0.888 17.662 ( -1.083 1.689 -0.808) 2.163 17.792 ( 1.769 -2.464 1.593) 3.427 17.897 ( -0.732 -0.258 -0.428) 0.886 18.444 ( -0.753 -0.569 0.193) 0.963 18.614 ( 1.674 0.767 -0.363) 1.876 28.223 ( -0.567 0.051 -0.032) 0.570 28.237 ( 0.922 0.117 0.010) 0.930 31.502 ( 1.685 -0.962 -0.309) 1.965 31.855 ( -4.163 3.180 -1.429) 5.431 32.278 ( 1.583 4.572 1.901) 5.198 32.352 ( 4.104 12.508 -2.373) 13.376 32.665 ( 1.447 -19.671 4.171) 20.160 34.413 ( -4.625 1.859 -2.112) 5.414 ======================= Grid point 30 (23/216) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 14.945 -8.120 -3.124) 17.293 2.170 ( 5.397 -9.522 -2.598) 11.249 2.925 ( -6.552 5.386 -2.452) 8.829 3.092 ( -7.631 8.047 5.008) 12.168 3.290 ( 11.484 -1.795 5.925) 13.046 3.371 ( 5.454 -2.896 -0.187) 6.178 3.684 ( 14.021 4.213 -0.401) 14.646 3.919 ( -3.290 -4.876 3.281) 6.735 3.938 ( 3.632 3.514 2.547) 5.659 4.131 ( 8.260 -1.218 -3.191) 8.939 4.371 ( -2.583 3.745 10.333) 11.290 4.560 ( 8.803 -4.388 -4.147) 10.674 4.598 ( 7.668 -0.579 -8.784) 11.675 4.941 ( 5.445 -2.077 -11.808) 13.168 5.137 ( -1.893 -2.195 0.821) 3.013 5.427 ( 0.025 -4.363 0.178) 4.366 5.810 ( -12.117 0.725 3.279) 12.574 5.962 ( -6.434 -2.841 -0.369) 7.043 6.151 ( 10.147 8.026 0.082) 12.938 6.197 ( -1.889 1.192 -0.455) 2.279 7.070 ( -10.241 0.850 -2.763) 10.641 7.088 ( -6.751 -0.543 11.605) 13.437 7.262 ( -3.202 -1.013 -8.385) 9.033 7.451 ( -2.952 3.458 4.249) 6.223 12.754 ( 0.513 0.143 0.244) 0.586 12.841 ( -1.494 0.521 0.003) 1.582 13.446 ( 1.910 -2.224 -0.227) 2.940 13.846 ( -1.697 2.522 0.216) 3.047 17.411 ( -0.389 -0.436 -0.397) 0.706 17.685 ( -0.155 2.060 -0.411) 2.106 17.752 ( 1.999 -1.590 0.636) 2.632 17.908 ( -1.623 -1.011 -0.069) 1.914 18.449 ( -0.971 -1.663 0.205) 1.936 18.588 ( 1.485 0.019 -0.547) 1.582 28.224 ( 0.643 -0.064 0.008) 0.646 28.231 ( -0.164 0.234 -0.086) 0.298 31.478 ( 0.016 -0.889 -0.425) 0.986 31.963 ( -5.498 4.210 0.290) 6.931 32.243 ( 9.688 4.779 0.363) 10.809 32.422 ( 1.936 13.833 -0.905) 13.997 32.510 ( -4.331 -20.796 1.251) 21.279 34.480 ( -4.066 -0.163 -0.257) 4.077 ======================= Grid point 31 (24/216) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 15.711 -9.759 0.000) 18.495 1.922 ( 9.937 -15.573 0.000) 18.473 3.007 ( 14.788 7.236 -0.000) 16.463 3.114 ( 1.641 -3.232 0.000) 3.625 3.150 ( 12.598 -3.000 0.000) 12.950 3.344 ( -8.317 7.396 -0.000) 11.130 3.502 ( 10.603 -0.884 0.000) 10.640 3.872 ( 6.738 8.831 -0.000) 11.109 3.982 ( -1.511 -10.060 0.000) 10.172 4.047 ( 2.727 0.412 0.000) 2.758 4.180 ( 18.318 -14.377 0.000) 23.286 4.380 ( 4.531 2.035 -0.000) 4.967 4.619 ( -9.469 1.984 -0.000) 9.675 4.829 ( 3.001 -0.042 0.000) 3.001 5.188 ( -4.605 1.149 -0.000) 4.747 5.411 ( -6.249 -9.611 0.000) 11.464 5.982 ( 3.607 -0.055 0.000) 3.608 6.013 ( -6.740 4.397 -0.000) 8.048 6.069 ( 4.443 2.457 -0.000) 5.077 6.239 ( -3.589 0.195 -0.000) 3.595 7.182 ( -3.090 0.052 -0.000) 3.091 7.229 ( -6.619 -1.035 -0.000) 6.699 7.290 ( -6.764 0.870 -0.000) 6.819 7.588 ( -5.381 6.997 -0.000) 8.827 12.748 ( 0.692 0.214 0.000) 0.724 12.875 ( -2.263 0.490 -0.000) 2.315 13.400 ( 1.544 -1.544 0.000) 2.184 13.903 ( -2.047 2.951 -0.000) 3.592 17.406 ( -0.081 -0.871 0.000) 0.875 17.697 ( 1.046 2.496 -0.000) 2.706 17.713 ( 1.907 -0.661 0.000) 2.018 17.924 ( -2.129 -1.734 0.000) 2.746 18.443 ( -0.986 -3.302 0.000) 3.446 18.566 ( 0.776 -0.431 0.000) 0.888 28.219 ( -0.099 -0.138 0.000) 0.170 28.230 ( 0.554 0.273 -0.000) 0.617 31.473 ( -0.217 -0.359 0.000) 0.420 32.079 ( 12.344 -1.284 0.000) 12.410 32.084 ( -4.447 3.171 -0.000) 5.462 32.448 ( -7.304 -14.232 0.000) 15.997 32.533 ( -0.495 13.837 -0.000) 13.846 34.527 ( -3.051 -1.714 0.000) 3.500 ======================= Grid point 36 (25/216) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 0.000 22.070) 22.070 1.187 ( 0.000 0.000 22.698) 22.698 2.089 ( -0.000 -0.000 -6.898) 6.898 2.386 ( -0.000 -0.000 -5.661) 5.661 2.753 ( 0.000 0.000 55.378) 55.378 3.306 ( 0.000 0.000 16.014) 16.014 3.379 ( -0.000 -0.000 -13.329) 13.329 3.536 ( -0.000 -0.000 -9.083) 9.083 4.011 ( 0.000 0.000 31.381) 31.381 4.714 ( -0.000 -0.000 -7.909) 7.909 4.890 ( 0.000 0.000 22.399) 22.399 4.895 ( 0.000 0.000 10.544) 10.544 4.953 ( 0.000 0.000 2.091) 2.091 5.085 ( 0.000 0.000 1.103) 1.103 5.194 ( 0.000 0.000 1.721) 1.721 5.262 ( -0.000 -0.000 -1.217) 1.217 5.365 ( -0.000 -0.000 -1.452) 1.452 5.513 ( 0.000 0.000 6.516) 6.516 6.111 ( 0.000 0.000 0.931) 0.931 6.226 ( -0.000 -0.000 -1.087) 1.087 6.639 ( -0.000 -0.000 -4.790) 4.790 6.764 ( -0.000 -0.000 -18.623) 18.623 7.074 ( -0.000 -0.000 -16.287) 16.287 8.405 ( -0.000 -0.000 -27.883) 27.883 12.787 ( 0.000 0.000 2.690) 2.690 12.970 ( -0.000 -0.000 -1.578) 1.578 13.504 ( 0.000 0.000 6.376) 6.376 13.973 ( -0.000 -0.000 -4.400) 4.400 17.494 ( -0.000 -0.000 -0.453) 0.453 17.587 ( -0.000 -0.000 -1.983) 1.983 17.844 ( 0.000 0.000 1.139) 1.139 17.941 ( -0.000 -0.000 -0.927) 0.927 18.288 ( 0.000 0.000 4.146) 4.146 18.535 ( -0.000 -0.000 -1.047) 1.047 28.202 ( 0.000 0.000 0.931) 0.931 28.260 ( -0.000 -0.000 -0.305) 0.305 31.638 ( 0.000 0.000 5.845) 5.845 32.158 ( 0.000 0.000 3.019) 3.019 32.193 ( -0.000 -0.000 -6.525) 6.525 32.417 ( -0.000 -0.000 -2.772) 2.772 33.210 ( 0.000 0.000 6.689) 6.689 33.789 ( -0.000 -0.000 -6.236) 6.236 ======================= Grid point 37 (26/216) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -6.847 10.599 18.866) 22.697 1.586 ( -22.169 8.781 16.453) 28.971 2.148 ( -7.659 6.470 -4.818) 11.123 2.492 ( -15.906 7.555 -6.547) 18.787 3.119 ( 4.017 2.794 47.081) 47.335 3.277 ( 0.609 -1.518 -10.843) 10.965 3.397 ( 0.266 -4.133 0.619) 4.187 3.488 ( 0.896 5.465 4.649) 7.230 4.311 ( -5.097 0.823 29.163) 29.616 4.623 ( 2.638 -2.400 -3.062) 4.701 4.780 ( 4.927 -10.964 5.727) 13.315 4.855 ( 6.752 -9.894 4.899) 12.942 4.920 ( 16.421 1.177 8.107) 18.351 5.099 ( 2.654 11.382 4.296) 12.452 5.290 ( 1.723 4.556 0.771) 4.932 5.370 ( -7.587 -1.537 -0.785) 7.780 5.425 ( -9.857 3.004 -0.285) 10.309 5.648 ( -10.361 -0.288 3.313) 10.881 6.106 ( 2.727 1.429 0.873) 3.200 6.233 ( -0.698 1.256 -2.260) 2.678 6.613 ( -1.369 1.250 -7.245) 7.479 6.637 ( -1.415 0.374 -14.644) 14.717 6.998 ( -3.669 0.624 -12.207) 12.761 8.118 ( 7.385 -2.175 -26.875) 27.956 12.788 ( 2.254 0.104 2.978) 3.736 12.946 ( 1.410 -0.106 -1.861) 2.338 13.544 ( 0.295 -1.184 6.726) 6.836 13.926 ( 0.823 -1.146 -4.940) 5.137 17.481 ( 0.550 -1.757 -0.042) 1.842 17.566 ( -0.719 -1.321 -2.031) 2.527 17.860 ( -0.781 -0.490 1.716) 1.948 17.931 ( 0.672 0.612 -0.727) 1.164 18.347 ( -0.835 3.451 3.403) 4.918 18.541 ( -1.404 0.936 -1.679) 2.381 28.212 ( -0.372 -0.093 0.860) 0.942 28.253 ( 0.430 0.010 -0.298) 0.523 31.683 ( 1.853 2.512 6.059) 6.816 32.059 ( 8.311 -4.209 -1.149) 9.386 32.159 ( 0.038 -2.341 -0.077) 2.343 32.355 ( 3.060 0.650 -2.794) 4.195 33.244 ( 1.620 -3.417 8.195) 9.025 33.854 ( -9.295 6.136 -9.832) 14.856 ======================= Grid point 38 (27/216) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -8.184 11.895 13.269) 19.610 2.070 ( -12.146 13.016 5.658) 18.680 2.395 ( -21.379 1.843 2.831) 21.644 2.886 ( -22.538 14.620 -4.099) 27.175 3.166 ( -0.950 -3.073 -8.193) 8.802 3.244 ( 6.423 -2.229 -6.710) 9.552 3.422 ( 3.954 4.673 33.013) 33.576 3.630 ( -2.219 4.180 13.238) 14.059 4.385 ( 5.879 -2.467 1.073) 6.465 4.509 ( 9.125 -8.245 1.912) 12.446 4.674 ( 3.459 -8.229 1.777) 9.101 4.753 ( 14.562 -2.419 13.166) 19.780 4.894 ( -7.759 2.570 18.284) 20.028 5.082 ( 10.891 6.680 -1.622) 12.879 5.311 ( -0.144 1.012 5.038) 5.140 5.407 ( 0.529 5.306 -5.175) 7.430 5.620 ( -10.078 0.785 -1.744) 10.257 5.776 ( -9.025 -2.438 -5.746) 10.973 6.062 ( 3.819 0.188 -0.842) 3.915 6.201 ( 3.196 0.865 -3.388) 4.737 6.598 ( -2.516 3.449 -9.969) 10.844 6.641 ( -7.065 0.330 -5.924) 9.226 7.028 ( -6.281 1.129 -2.425) 6.827 7.794 ( 7.658 -2.354 -20.637) 22.138 12.775 ( 2.290 0.386 2.943) 3.749 12.900 ( 2.249 -0.089 -2.148) 3.111 13.575 ( 0.429 -1.605 6.482) 6.692 13.858 ( 1.182 -1.647 -5.142) 5.527 17.447 ( 0.553 -2.729 -0.298) 2.801 17.566 ( -1.701 -0.057 -1.603) 2.338 17.875 ( -0.283 -1.008 1.579) 1.894 17.921 ( 0.999 0.435 -0.117) 1.096 18.406 ( -0.411 2.051 2.235) 3.061 18.570 ( -1.605 2.622 -1.618) 3.474 28.219 ( -0.129 -0.515 0.350) 0.635 28.248 ( 0.236 0.437 0.062) 0.500 31.698 ( 4.800 2.504 4.458) 7.013 31.896 ( 6.900 -3.220 0.184) 7.617 32.132 ( 0.449 0.291 -1.385) 1.485 32.320 ( 0.957 1.753 -1.887) 2.748 33.203 ( 3.197 -10.304 8.348) 13.641 33.997 ( -9.117 8.427 -9.678) 15.742 ======================= Grid point 39 (28/216) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -6.917 12.134 6.855) 15.559 2.351 ( -6.258 12.984 4.702) 15.161 2.750 ( -17.237 -4.548 2.225) 17.965 2.972 ( 1.487 -7.172 -7.816) 10.711 3.042 ( 7.193 -2.339 -4.435) 8.769 3.465 ( -20.165 14.205 1.076) 24.689 3.598 ( 2.541 4.046 19.289) 19.872 3.845 ( -7.099 7.786 11.163) 15.350 4.250 ( 7.856 -1.620 -1.470) 8.155 4.290 ( 8.530 -6.504 -1.614) 10.848 4.596 ( 7.487 -4.865 8.379) 12.244 4.635 ( 8.448 0.525 10.163) 13.226 4.912 ( 6.212 0.350 -3.954) 7.371 5.063 ( 8.076 8.082 -0.055) 11.426 5.321 ( 1.944 -0.407 -3.984) 4.452 5.461 ( -5.428 0.779 2.307) 5.950 5.704 ( -3.066 0.242 -0.656) 3.145 5.833 ( -4.760 0.146 -5.688) 7.418 6.005 ( 0.707 -3.544 0.929) 3.731 6.155 ( 0.404 1.639 1.288) 2.124 6.610 ( -3.190 4.761 -8.122) 9.940 6.720 ( -8.746 0.215 -8.011) 11.862 7.155 ( -5.963 -0.386 6.561) 8.874 7.556 ( 4.711 -2.030 -12.103) 13.145 12.770 ( 1.491 0.462 2.372) 2.839 12.850 ( 2.025 0.141 -2.096) 2.917 13.590 ( 1.068 -2.272 4.910) 5.514 13.794 ( 0.617 -0.799 -4.145) 4.266 17.417 ( 0.029 -1.978 -0.515) 2.045 17.588 ( -1.953 0.665 -1.031) 2.307 17.875 ( 0.224 -1.419 1.444) 2.037 17.903 ( 1.208 -0.288 -0.222) 1.261 18.431 ( -0.230 0.282 0.894) 0.965 18.607 ( -0.406 3.194 -0.662) 3.287 28.215 ( -0.117 -0.581 0.016) 0.593 28.251 ( 0.307 0.587 0.190) 0.689 31.642 ( 6.205 0.149 1.272) 6.336 31.799 ( 2.966 -0.968 -0.390) 3.144 32.154 ( 0.047 6.354 -0.047) 6.354 32.316 ( 0.671 2.076 -1.385) 2.585 33.085 ( 3.686 -14.828 6.100) 16.452 34.143 ( -7.592 7.450 -6.001) 12.213 ======================= Grid point 40 (29/216) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -3.815 10.559 2.505) 11.504 2.535 ( 5.991 -0.276 3.978) 7.196 2.697 ( 3.258 3.480 0.458) 4.789 2.832 ( -1.759 -7.438 -8.973) 11.787 3.147 ( -15.610 -1.249 1.598) 15.741 3.570 ( 4.454 -2.293 4.290) 6.596 3.916 ( -5.659 9.583 15.462) 19.051 4.040 ( 6.769 4.867 2.668) 8.754 4.112 ( 6.042 -7.067 -0.983) 9.349 4.169 ( -6.141 6.538 -9.508) 13.071 4.484 ( 13.157 -1.103 15.983) 20.731 4.615 ( 1.367 3.020 3.855) 5.084 4.754 ( 9.844 0.669 -11.435) 15.104 5.024 ( 1.721 5.757 -1.397) 6.169 5.203 ( 4.190 0.259 -9.669) 10.541 5.488 ( 0.729 -1.371 -0.153) 1.560 5.770 ( -1.894 -3.492 1.671) 4.309 5.792 ( -1.174 -3.240 -2.199) 4.088 6.042 ( -6.738 -1.526 0.230) 6.913 6.220 ( 2.048 6.750 3.456) 7.855 6.705 ( -8.150 3.295 2.254) 9.075 6.804 ( -9.809 1.082 -8.394) 12.955 7.252 ( -2.688 -3.466 4.131) 6.025 7.433 ( 1.660 -0.884 -3.892) 4.323 12.768 ( 0.908 0.235 1.095) 1.442 12.818 ( 0.786 0.542 -1.060) 1.426 13.563 ( 2.074 -3.216 1.572) 4.137 13.775 ( -0.616 1.002 -1.303) 1.756 17.403 ( -0.446 -0.967 -0.351) 1.122 17.621 ( -1.761 1.196 -0.470) 2.180 17.854 ( 1.656 -2.473 1.208) 3.212 17.887 ( -0.133 -0.022 -0.568) 0.584 18.439 ( -0.546 -0.385 0.201) 0.698 18.623 ( 1.204 2.179 -0.168) 2.495 28.215 ( -0.472 -0.279 -0.008) 0.549 28.249 ( 0.780 0.402 0.052) 0.879 31.556 ( 4.304 -1.007 -0.016) 4.421 31.781 ( -0.894 1.508 -0.634) 1.864 32.233 ( 0.825 10.358 0.989) 10.437 32.313 ( 1.537 3.039 -1.306) 3.647 32.909 ( 3.689 -17.467 2.904) 18.087 34.279 ( -6.451 4.835 -2.233) 8.365 ======================= Grid point 41 (30/216) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 16.699 -7.837 0.000) 18.446 2.269 ( 1.860 0.432 0.000) 1.909 2.788 ( -6.731 -2.651 0.000) 7.234 2.896 ( -6.252 12.729 -0.000) 14.182 3.356 ( -10.160 -1.422 -0.000) 10.259 3.466 ( 6.583 -3.457 0.000) 7.436 3.893 ( 14.821 4.215 0.000) 15.408 3.956 ( 4.146 -6.246 0.000) 7.497 4.074 ( 7.860 3.800 -0.000) 8.730 4.170 ( -0.192 -0.098 0.000) 0.215 4.431 ( 4.384 2.408 -0.000) 5.002 4.542 ( 10.263 6.806 -0.000) 12.315 4.709 ( -1.845 0.566 -0.000) 1.930 4.982 ( 4.286 -0.709 0.000) 4.344 5.148 ( 0.146 -0.475 0.000) 0.497 5.464 ( 1.438 -0.045 0.000) 1.439 5.709 ( -3.450 -6.267 0.000) 7.154 5.868 ( -8.003 -2.648 -0.000) 8.430 6.134 ( -5.174 -0.013 -0.000) 5.174 6.221 ( 8.362 9.177 -0.000) 12.416 6.898 ( -10.022 0.849 -0.000) 10.058 6.956 ( -11.942 2.866 -0.000) 12.281 7.241 ( -0.497 -4.639 0.000) 4.666 7.419 ( -0.656 0.790 -0.000) 1.027 12.762 ( 0.586 0.152 0.000) 0.605 12.819 ( -0.540 0.625 -0.000) 0.826 13.503 ( 2.239 -3.011 0.000) 3.752 13.802 ( -1.294 2.005 -0.000) 2.386 17.405 ( -0.587 -0.391 0.000) 0.706 17.656 ( -1.144 1.645 -0.000) 2.004 17.805 ( 2.089 -2.316 0.000) 3.119 17.893 ( -1.027 -0.434 0.000) 1.115 18.446 ( -0.923 -0.836 0.000) 1.245 18.611 ( 1.955 0.912 -0.000) 2.158 28.223 ( -0.541 0.056 -0.000) 0.544 28.237 ( 0.970 0.137 0.000) 0.979 31.499 ( 1.722 -1.148 0.000) 2.070 31.844 ( -4.289 3.588 -0.000) 5.592 32.300 ( 3.753 4.060 -0.000) 5.529 32.327 ( 2.053 13.087 -0.000) 13.247 32.698 ( 2.005 -19.956 0.000) 20.057 34.396 ( -5.413 2.071 -0.000) 5.796 ======================= Grid point 48 (31/216) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 0.000 19.388) 19.388 1.495 ( 0.000 0.000 18.591) 18.591 1.998 ( -0.000 -0.000 -5.558) 5.558 2.275 ( -0.000 -0.000 -9.544) 9.544 3.222 ( -0.000 -0.000 -7.519) 7.519 3.369 ( -0.000 -0.000 -11.561) 11.561 3.485 ( 0.000 0.000 41.402) 41.402 3.552 ( 0.000 0.000 16.760) 16.760 4.508 ( 0.000 0.000 33.661) 33.661 4.608 ( -0.000 -0.000 -4.744) 4.744 4.966 ( -0.000 -0.000 -4.395) 4.395 4.996 ( 0.000 0.000 4.070) 4.070 5.012 ( 0.000 0.000 5.497) 5.497 5.207 ( -0.000 -0.000 -0.126) 0.126 5.262 ( 0.000 0.000 11.493) 11.493 5.264 ( 0.000 0.000 1.971) 1.971 5.335 ( -0.000 -0.000 -2.633) 2.633 5.595 ( 0.000 0.000 2.281) 2.281 6.129 ( 0.000 0.000 1.507) 1.507 6.206 ( -0.000 -0.000 -1.649) 1.649 6.496 ( -0.000 -0.000 -15.727) 15.727 6.550 ( -0.000 -0.000 -7.209) 7.209 6.905 ( -0.000 -0.000 -3.285) 3.285 7.954 ( -0.000 -0.000 -32.604) 32.604 12.829 ( 0.000 0.000 2.852) 2.852 12.943 ( -0.000 -0.000 -2.075) 2.075 13.604 ( 0.000 0.000 7.043) 7.043 13.899 ( -0.000 -0.000 -5.574) 5.574 17.493 ( 0.000 0.000 0.315) 0.315 17.556 ( -0.000 -0.000 -2.119) 2.119 17.863 ( 0.000 0.000 1.367) 1.367 17.925 ( -0.000 -0.000 -1.209) 1.209 18.352 ( 0.000 0.000 4.459) 4.459 18.512 ( -0.000 -0.000 -2.142) 2.142 28.216 ( 0.000 0.000 1.013) 1.013 28.254 ( -0.000 -0.000 -0.536) 0.536 31.735 ( 0.000 0.000 7.150) 7.150 32.086 ( -0.000 -0.000 -7.753) 7.753 32.207 ( 0.000 0.000 3.615) 3.615 32.372 ( -0.000 -0.000 -3.344) 3.344 33.318 ( 0.000 0.000 7.958) 7.958 33.686 ( -0.000 -0.000 -7.612) 7.612 ======================= Grid point 49 (32/216) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -4.386 9.002 15.320) 18.302 1.787 ( -13.279 11.162 8.998) 19.542 2.100 ( -12.539 5.238 -0.492) 13.598 2.373 ( -18.132 8.594 -9.398) 22.157 3.161 ( 1.219 -2.509 -4.440) 5.243 3.264 ( 1.901 -1.564 -8.899) 9.233 3.686 ( -0.591 1.449 14.518) 14.602 3.710 ( 3.493 0.355 27.007) 27.234 4.515 ( 7.146 -1.430 3.682) 8.165 4.727 ( 4.016 -9.658 5.963) 12.040 4.846 ( 7.572 -3.575 3.007) 8.897 4.920 ( -0.911 0.903 16.347) 16.397 5.033 ( 9.434 0.583 2.533) 9.786 5.154 ( 5.762 2.952 1.675) 6.687 5.280 ( -1.885 5.968 -2.410) 6.707 5.396 ( -1.566 -1.900 2.449) 3.473 5.427 ( -11.232 1.417 0.994) 11.365 5.612 ( -5.434 -0.225 -7.992) 9.667 6.121 ( 3.277 0.537 1.103) 3.499 6.192 ( 0.931 1.769 -2.924) 3.542 6.458 ( -5.809 0.276 -9.341) 11.003 6.499 ( -0.455 1.367 -7.770) 7.902 6.965 ( -3.989 0.961 10.109) 10.910 7.690 ( 2.151 -0.450 -30.136) 30.216 12.833 ( 2.023 0.045 3.022) 3.637 12.914 ( 1.524 -0.039 -2.374) 2.821 13.647 ( 0.499 -1.174 7.048) 7.163 13.845 ( 0.705 -1.065 -5.994) 6.129 17.483 ( 0.580 -2.373 0.414) 2.478 17.538 ( -0.749 -0.711 -1.695) 1.985 17.881 ( -0.368 0.287 1.196) 1.284 17.920 ( 0.064 0.885 -0.810) 1.202 18.401 ( -0.660 1.636 3.775) 4.167 18.509 ( -1.284 1.338 -2.636) 3.223 28.224 ( -0.101 -0.180 0.823) 0.849 28.247 ( 0.180 0.091 -0.490) 0.530 31.779 ( 2.845 2.100 6.923) 7.774 31.995 ( 5.438 1.722 -6.275) 8.480 32.184 ( 1.857 -7.005 2.377) 7.626 32.316 ( 1.556 -0.091 -2.389) 2.853 33.369 ( 1.020 -4.122 8.352) 9.370 33.714 ( -7.484 6.455 -8.887) 13.291 ======================= Grid point 50 (33/216) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -5.459 9.207 6.104) 12.322 2.115 ( -7.181 18.940 0.945) 20.277 2.445 ( -23.724 -0.196 2.784) 23.887 2.827 ( -26.069 15.255 -2.915) 30.345 3.069 ( -0.736 -4.410 -3.710) 5.810 3.157 ( 5.273 -1.227 -3.409) 6.398 3.765 ( 3.053 -0.915 9.617) 10.131 3.839 ( -0.829 3.251 11.825) 12.292 4.399 ( 8.798 -3.263 4.114) 10.246 4.485 ( 10.405 -7.751 -4.862) 13.856 4.744 ( 6.679 -1.501 7.970) 10.507 4.844 ( 9.858 -0.858 -1.591) 10.022 5.041 ( 9.264 1.533 1.100) 9.455 5.112 ( 6.059 6.881 0.780) 9.201 5.347 ( -0.229 -1.618 0.511) 1.712 5.401 ( -4.542 -0.608 5.368) 7.058 5.610 ( -7.543 1.469 0.368) 7.693 5.677 ( -8.841 0.785 -4.643) 10.017 6.071 ( 3.162 -1.262 1.339) 3.658 6.159 ( 1.613 1.383 -2.130) 3.009 6.463 ( -4.023 1.478 -7.508) 8.645 6.530 ( -5.302 3.058 -5.392) 8.157 7.156 ( -5.029 -0.010 16.468) 17.218 7.476 ( -0.070 0.088 -21.325) 21.326 12.819 ( 2.450 0.076 2.865) 3.770 12.865 ( 2.277 0.159 -2.530) 3.407 13.669 ( 1.131 -2.222 5.883) 6.389 13.778 ( 0.628 -1.033 -5.371) 5.506 17.444 ( 0.631 -3.226 -0.110) 3.289 17.549 ( -1.748 0.231 -0.638) 1.875 17.887 ( 0.258 -0.064 0.256) 0.369 17.923 ( 0.389 0.098 0.194) 0.446 18.435 ( -0.136 0.000 1.417) 1.424 18.546 ( -1.923 3.937 -1.182) 4.538 28.222 ( 0.199 -0.681 0.143) 0.724 28.249 ( -0.041 0.587 0.009) 0.588 31.757 ( 6.728 0.389 2.849) 7.317 31.882 ( 6.642 0.998 -1.450) 6.871 32.119 ( 0.172 -1.206 -0.422) 1.289 32.302 ( 0.058 0.684 -0.632) 0.933 33.303 ( 3.009 -12.239 4.177) 13.277 33.885 ( -9.305 10.457 -4.550) 14.719 ======================= Grid point 51 (34/216) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -6.068 11.138 -0.000) 12.684 2.398 ( -5.670 18.361 -0.000) 19.217 2.761 ( -14.489 -5.872 0.000) 15.633 2.893 ( 0.568 -11.388 0.000) 11.402 3.019 ( 5.526 -0.751 0.000) 5.577 3.473 ( -23.528 15.888 -0.000) 28.390 3.744 ( 1.174 0.563 -0.000) 1.302 3.964 ( -3.971 5.388 -0.000) 6.693 4.233 ( 11.656 -0.702 0.000) 11.678 4.265 ( 6.457 -6.589 0.000) 9.225 4.665 ( 8.297 0.942 0.000) 8.350 4.765 ( 0.523 0.714 -0.000) 0.885 4.837 ( 15.814 -0.210 0.000) 15.816 5.045 ( 9.277 7.190 -0.000) 11.737 5.264 ( 6.338 -2.110 0.000) 6.680 5.487 ( -3.388 -1.927 0.000) 3.898 5.708 ( -5.693 -1.159 -0.000) 5.810 5.791 ( -4.089 2.118 -0.000) 4.605 6.012 ( 0.203 -4.360 0.000) 4.365 6.189 ( -1.231 4.045 -0.000) 4.228 6.554 ( -9.197 2.251 -0.000) 9.468 6.616 ( -5.402 3.137 -0.000) 6.247 7.277 ( -2.625 -3.344 0.000) 4.251 7.407 ( -1.161 0.960 -0.000) 1.506 12.797 ( 1.995 -0.081 0.000) 1.997 12.825 ( 1.681 0.654 -0.000) 1.804 13.637 ( 2.141 -3.550 0.000) 4.146 13.753 ( -0.358 0.444 -0.000) 0.570 17.413 ( 0.022 -2.160 0.000) 2.160 17.581 ( -1.995 0.701 -0.000) 2.114 17.884 ( 0.151 0.035 0.000) 0.155 17.903 ( 1.303 -1.584 0.000) 2.051 18.438 ( -0.213 -0.468 0.000) 0.514 18.601 ( -0.494 3.741 -0.000) 3.774 28.215 ( -0.089 -0.606 0.000) 0.613 28.253 ( 0.326 0.604 -0.000) 0.686 31.651 ( 6.705 -0.813 0.000) 6.754 31.796 ( 3.635 -0.209 0.000) 3.641 32.154 ( -0.123 7.416 -0.000) 7.417 32.305 ( 0.330 1.078 -0.000) 1.127 33.133 ( 3.660 -15.654 0.000) 16.076 34.095 ( -8.118 8.298 -0.000) 11.609 ======================= Grid point 61 (35/216) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 0.000 13.710) 13.710 1.686 ( 0.000 0.000 3.349) 3.349 1.959 ( 0.000 0.000 3.800) 3.800 2.108 ( -0.000 -0.000 -12.476) 12.476 3.166 ( 0.000 0.000 0.129) 0.129 3.224 ( -0.000 -0.000 -7.370) 7.370 3.780 ( 0.000 0.000 12.967) 12.967 3.861 ( 0.000 0.000 6.766) 6.766 4.660 ( 0.000 0.000 12.989) 12.989 4.861 ( -0.000 -0.000 -10.446) 10.446 4.942 ( 0.000 0.000 21.256) 21.256 5.061 ( 0.000 0.000 0.623) 0.623 5.087 ( 0.000 0.000 8.965) 8.965 5.215 ( 0.000 0.000 2.881) 2.881 5.255 ( -0.000 -0.000 -10.555) 10.555 5.286 ( -0.000 -0.000 -4.211) 4.211 5.324 ( 0.000 0.000 7.318) 7.318 5.512 ( -0.000 -0.000 -13.664) 13.664 6.154 ( 0.000 0.000 1.781) 1.781 6.180 ( -0.000 -0.000 -1.759) 1.759 6.369 ( -0.000 -0.000 -0.508) 0.508 6.436 ( -0.000 -0.000 -7.462) 7.462 7.046 ( 0.000 0.000 21.607) 21.607 7.465 ( -0.000 -0.000 -32.519) 32.519 12.870 ( 0.000 0.000 2.764) 2.764 12.909 ( -0.000 -0.000 -2.488) 2.488 13.709 ( 0.000 0.000 7.023) 7.023 13.809 ( -0.000 -0.000 -6.484) 6.484 17.504 ( 0.000 0.000 1.177) 1.177 17.527 ( -0.000 -0.000 -1.839) 1.839 17.884 ( 0.000 0.000 1.459) 1.459 17.905 ( -0.000 -0.000 -1.401) 1.401 18.417 ( 0.000 0.000 4.124) 4.124 18.472 ( -0.000 -0.000 -3.271) 3.271 28.231 ( 0.000 0.000 0.951) 0.951 28.244 ( -0.000 -0.000 -0.774) 0.774 31.847 ( 0.000 0.000 7.974) 7.974 31.967 ( -0.000 -0.000 -8.213) 8.213 32.263 ( 0.000 0.000 3.859) 3.859 32.320 ( -0.000 -0.000 -3.744) 3.744 33.441 ( 0.000 0.000 8.540) 8.540 33.567 ( -0.000 -0.000 -8.411) 8.411 ======================= Grid point 62 (36/216) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -2.322 5.143 -0.000) 5.643 1.823 ( -7.328 17.010 -0.000) 18.521 2.140 ( -15.717 -0.546 -0.000) 15.726 2.262 ( -21.594 12.811 -0.000) 25.108 3.139 ( 2.296 -4.516 0.000) 5.066 3.182 ( 0.512 0.199 -0.000) 0.550 3.844 ( 1.165 -0.892 0.000) 1.467 3.858 ( -0.107 0.644 -0.000) 0.653 4.641 ( 8.450 -7.032 0.000) 10.993 4.660 ( 8.982 -5.537 0.000) 10.551 4.958 ( 9.879 1.334 0.000) 9.969 4.973 ( 12.695 -0.255 0.000) 12.697 5.107 ( 0.030 3.615 -0.000) 3.615 5.130 ( 4.631 4.111 -0.000) 6.192 5.336 ( -6.633 -1.531 -0.000) 6.808 5.344 ( -4.159 -0.635 -0.000) 4.207 5.476 ( -8.642 0.380 -0.000) 8.651 5.491 ( -9.646 0.965 -0.000) 9.695 6.135 ( 3.214 -0.251 0.000) 3.224 6.160 ( 2.340 2.141 -0.000) 3.172 6.394 ( -1.089 -0.423 0.000) 1.168 6.422 ( -2.857 2.436 -0.000) 3.755 7.241 ( -1.537 -1.348 0.000) 2.044 7.277 ( -3.300 2.407 -0.000) 4.084 12.873 ( 1.881 -0.245 0.000) 1.897 12.878 ( 1.600 0.257 0.000) 1.620 13.743 ( 1.033 -1.793 0.000) 2.070 13.756 ( 0.195 -0.406 0.000) 0.451 17.489 ( 0.922 -3.136 0.000) 3.269 17.523 ( -1.060 0.046 -0.000) 1.061 17.893 ( 0.266 -0.002 0.000) 0.266 17.911 ( -0.632 1.459 -0.000) 1.590 18.444 ( -0.016 -0.307 0.000) 0.307 18.474 ( -1.787 2.859 -0.000) 3.371 28.233 ( 0.269 -0.478 0.000) 0.548 28.241 ( -0.182 0.386 -0.000) 0.427 31.868 ( 4.823 -0.045 0.000) 4.824 31.910 ( 2.713 4.471 -0.000) 5.230 32.206 ( 3.860 -7.900 0.000) 8.793 32.294 ( -0.148 0.222 -0.000) 0.267 33.454 ( 1.863 -7.481 0.000) 7.710 33.626 ( -7.963 9.704 -0.000) 12.553 ======================= Grid point 126 (37/216) ======================= q-point: ( 0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -0.000 23.746 -0.000) 23.746 0.504 ( -0.000 26.126 -0.000) 26.126 0.969 ( -0.000 51.124 -0.000) 51.124 2.549 ( -0.000 6.744 -0.000) 6.744 2.752 ( -0.000 1.308 -0.000) 1.308 2.766 ( -0.000 22.201 -0.000) 22.201 2.992 ( -0.000 8.350 -0.000) 8.350 3.946 ( -0.000 0.358 -0.000) 0.358 4.040 ( 0.000 -3.718 0.000) 3.718 4.054 ( 0.000 -2.970 0.000) 2.970 4.553 ( 0.000 -9.436 0.000) 9.436 4.789 ( 0.000 -8.832 0.000) 8.832 4.940 ( -0.000 2.317 -0.000) 2.317 4.970 ( 0.000 -12.496 0.000) 12.496 5.115 ( 0.000 -3.065 0.000) 3.065 5.442 ( 0.000 -0.139 0.000) 0.139 5.444 ( -0.000 7.906 -0.000) 7.906 6.007 ( -0.000 4.307 -0.000) 4.307 6.252 ( -0.000 0.756 -0.000) 0.756 6.749 ( -0.000 3.038 -0.000) 3.038 7.228 ( 0.000 -0.315 0.000) 0.315 7.526 ( 0.000 -0.332 0.000) 0.332 7.544 ( 0.000 -0.634 0.000) 0.634 7.637 ( 0.000 -5.584 0.000) 5.584 12.722 ( -0.000 0.701 -0.000) 0.701 13.000 ( 0.000 -0.501 0.000) 0.501 13.356 ( -0.000 1.340 -0.000) 1.340 14.047 ( 0.000 -2.773 0.000) 2.773 17.386 ( -0.000 0.863 -0.000) 0.863 17.508 ( 0.000 -1.269 0.000) 1.269 17.636 ( 0.000 -0.039 0.000) 0.039 17.967 ( -0.000 0.563 -0.000) 0.563 18.554 ( -0.000 0.877 -0.000) 0.877 18.602 ( 0.000 -0.226 0.000) 0.226 28.178 ( 0.000 -0.054 0.000) 0.054 28.263 ( 0.000 -0.135 0.000) 0.135 31.426 ( 0.000 -2.362 0.000) 2.362 31.611 ( -0.000 7.470 -0.000) 7.470 32.342 ( 0.000 -0.364 0.000) 0.364 32.544 ( -0.000 6.018 -0.000) 6.018 32.999 ( 0.000 -5.315 0.000) 5.315 34.482 ( 0.000 -2.853 0.000) 2.853 ======================= Grid point 127 (38/216) ======================= q-point: ( 0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -10.010 18.933 19.833) 29.189 1.013 ( -23.400 20.395 6.543) 31.723 1.611 ( -18.477 38.078 9.993) 43.488 2.617 ( -1.519 8.534 -4.739) 9.879 2.834 ( -10.065 6.464 -0.844) 11.992 3.101 ( -5.791 15.036 0.914) 16.139 3.188 ( -10.420 19.405 13.510) 25.839 3.872 ( 7.187 -1.901 -2.520) 7.849 3.946 ( 2.614 -5.097 -13.303) 14.484 3.991 ( 7.109 -3.042 5.641) 9.571 4.243 ( 14.689 -7.809 9.779) 19.297 4.713 ( -1.818 -8.511 -1.151) 8.779 4.804 ( 6.807 -9.263 -0.144) 11.496 4.927 ( 2.012 1.622 4.242) 4.967 5.390 ( 3.176 0.307 -0.766) 3.281 5.405 ( -23.486 -5.676 -0.278) 24.163 5.580 ( -7.267 2.020 -0.487) 7.558 6.039 ( 1.127 5.987 -4.181) 7.388 6.156 ( 11.638 1.195 -0.478) 11.709 6.600 ( 12.607 7.722 -8.023) 16.820 7.201 ( -1.408 -0.040 -10.140) 10.237 7.238 ( -9.024 3.335 -34.110) 35.440 7.507 ( 1.943 -0.858 -3.347) 3.964 7.939 ( 3.902 -15.412 37.987) 41.180 12.726 ( 0.345 0.982 -0.007) 1.041 12.983 ( 1.299 -0.724 -0.223) 1.504 13.363 ( 0.497 1.744 0.189) 1.823 14.007 ( 0.805 -3.727 -0.684) 3.873 17.407 ( 0.544 0.726 2.728) 2.875 17.555 ( -6.121 -3.797 0.330) 7.211 17.645 ( -0.815 -0.261 0.992) 1.310 17.972 ( 0.088 0.496 -0.195) 0.540 18.529 ( 4.936 4.300 -2.921) 7.169 18.569 ( 0.639 1.365 1.404) 2.060 28.184 ( -0.762 -0.063 0.181) 0.786 28.256 ( 0.723 -0.173 0.010) 0.743 31.446 ( -1.298 -2.048 5.083) 5.632 31.703 ( -1.751 7.572 1.097) 7.849 32.271 ( 6.309 2.461 -0.137) 6.774 32.582 ( 2.431 7.984 -2.773) 8.795 32.877 ( 7.065 -7.590 2.993) 10.792 34.477 ( -5.203 -2.475 -6.268) 8.514 ======================= Grid point 128 (39/216) ======================= q-point: ( 0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -9.977 15.889 18.663) 26.463 1.589 ( -18.788 19.200 9.265) 28.416 2.262 ( -18.948 18.598 9.030) 28.044 2.726 ( -7.297 9.500 -4.745) 12.884 3.098 ( -12.034 3.738 6.905) 14.369 3.329 ( -5.836 13.503 3.007) 15.014 3.642 ( 1.456 -1.490 2.358) 3.147 3.696 ( 6.643 5.120 -5.981) 10.301 3.752 ( -7.400 9.141 -1.233) 11.826 3.909 ( 3.946 -1.068 5.813) 7.106 4.133 ( 2.360 -8.745 10.382) 13.778 4.605 ( 9.708 -4.133 0.319) 10.556 4.677 ( -1.952 -4.775 -2.979) 5.956 4.957 ( 2.185 -0.214 9.955) 10.194 5.322 ( 3.779 -1.757 -0.020) 4.167 5.658 ( -12.491 -1.172 0.249) 12.548 5.696 ( -7.865 -1.415 -0.718) 8.024 5.868 ( 10.702 -2.177 -9.301) 14.345 6.110 ( 1.058 4.044 1.110) 4.325 6.442 ( 8.592 4.163 -7.274) 12.002 7.135 ( 1.168 -0.062 -9.956) 10.025 7.210 ( -6.461 2.642 -16.108) 17.555 7.437 ( 1.998 -0.864 -3.695) 4.289 7.876 ( 10.667 -11.662 14.252) 21.282 12.731 ( 0.177 1.143 -0.146) 1.166 12.946 ( 2.125 -0.806 -0.409) 2.309 13.382 ( -0.162 1.819 1.087) 2.125 13.947 ( 1.231 -4.051 -1.180) 4.395 17.422 ( 0.376 0.838 1.258) 1.557 17.607 ( -4.636 -3.083 -0.014) 5.567 17.667 ( -1.375 -0.965 1.507) 2.257 17.967 ( 0.667 0.238 -0.505) 0.870 18.494 ( 2.961 4.461 -1.794) 5.647 18.586 ( 0.473 1.138 2.057) 2.398 28.200 ( -1.026 -0.146 0.155) 1.048 28.242 ( 0.856 -0.070 0.229) 0.889 31.489 ( -1.129 -0.587 4.454) 4.632 31.811 ( -3.389 6.116 -0.699) 7.027 32.209 ( 4.535 1.713 0.139) 4.849 32.556 ( 3.223 1.586 -6.000) 6.993 32.742 ( 7.899 -1.425 6.723) 10.470 34.486 ( -4.356 -2.618 -5.464) 7.462 ======================= Grid point 129 (40/216) ======================= q-point: ( 0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -8.062 13.591 15.255) 21.964 2.065 ( -10.824 16.321 11.120) 22.521 2.621 ( -12.779 4.956 -4.381) 14.390 2.929 ( -8.619 2.709 4.212) 9.968 3.238 ( 1.865 -2.304 -4.507) 5.395 3.459 ( 7.072 3.241 3.602) 8.573 3.500 ( -0.309 -3.874 5.154) 6.455 3.631 ( -5.120 6.740 -3.699) 9.238 3.950 ( -4.541 -0.513 3.693) 5.875 4.140 ( -2.195 7.176 3.831) 8.426 4.213 ( -11.729 9.106 9.761) 17.770 4.461 ( 6.076 0.311 4.673) 7.671 4.623 ( 2.120 -1.989 -3.231) 4.346 5.016 ( -1.272 0.952 11.578) 11.686 5.257 ( 3.501 -3.416 4.367) 6.557 5.586 ( 12.247 3.247 -5.230) 13.707 5.789 ( -8.855 -5.189 -1.620) 10.391 5.841 ( -11.105 -7.052 -2.004) 13.307 6.124 ( 2.186 1.986 -0.106) 2.955 6.290 ( 8.076 1.547 -5.285) 9.775 7.019 ( 2.799 1.355 -12.961) 13.329 7.229 ( -4.238 2.645 -9.035) 10.324 7.389 ( 0.477 -0.703 -1.966) 2.141 7.645 ( 14.445 -8.131 2.873) 16.824 12.739 ( 0.047 1.190 -0.133) 1.198 12.900 ( 2.298 -0.745 -0.515) 2.470 13.417 ( -0.738 1.938 1.564) 2.598 13.881 ( 1.191 -3.728 -1.320) 4.130 17.429 ( 0.276 0.624 0.314) 0.751 17.645 ( -3.415 -2.317 0.182) 4.131 17.688 ( -1.369 -0.849 0.847) 1.819 17.949 ( 1.060 -0.213 -0.718) 1.298 18.482 ( 1.960 3.218 -1.256) 3.972 18.603 ( 0.560 0.701 2.239) 2.412 28.210 ( -0.532 -0.265 -0.214) 0.631 28.237 ( 0.247 0.093 0.706) 0.753 31.528 ( 0.508 0.982 3.477) 3.648 31.890 ( -3.894 1.668 -4.502) 6.181 32.164 ( 3.066 0.650 1.698) 3.565 32.452 ( 1.443 -8.402 -0.303) 8.530 32.706 ( 8.168 11.673 2.272) 14.427 34.478 ( -3.070 -3.712 -4.257) 6.429 ======================= Grid point 130 (41/216) ======================= q-point: ( 0.45 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -6.159 11.112 10.679) 16.596 2.360 ( -1.289 7.771 12.145) 14.476 2.730 ( -5.812 -0.934 -12.725) 14.020 3.061 ( 3.194 -1.245 6.881) 7.688 3.075 ( -6.088 -5.397 -6.892) 10.663 3.430 ( 2.133 2.882 -0.584) 3.633 3.561 ( -0.623 4.068 6.496) 7.690 3.736 ( -2.066 0.114 -0.995) 2.296 4.024 ( -0.538 -0.320 1.848) 1.951 4.131 ( 8.560 8.930 -0.708) 12.391 4.465 ( 0.231 1.229 5.964) 6.093 4.561 ( -6.824 3.276 1.299) 7.681 4.599 ( -7.608 -1.179 8.943) 11.801 5.155 ( 1.964 1.857 -1.146) 2.935 5.280 ( -6.429 1.067 19.434) 20.497 5.464 ( 2.583 1.656 -1.684) 3.500 5.772 ( 2.628 -4.411 -5.761) 7.717 5.934 ( -9.720 -5.777 0.892) 11.343 6.051 ( 5.512 -1.751 -5.247) 7.809 6.179 ( 2.112 -1.126 -1.830) 3.013 6.917 ( 1.517 3.675 -9.604) 10.395 7.235 ( -1.980 1.242 -11.161) 11.403 7.357 ( 13.254 -3.618 4.500) 14.457 7.382 ( 1.028 -0.280 -2.604) 2.813 12.748 ( 0.091 1.037 -0.015) 1.041 12.858 ( 1.794 -0.581 -0.406) 1.929 13.457 ( -0.771 1.792 0.993) 2.189 13.828 ( 0.551 -2.698 -0.737) 2.851 17.430 ( 0.249 0.320 -0.107) 0.419 17.668 ( -1.895 -2.910 1.345) 3.724 17.711 ( -1.756 0.864 -0.861) 2.138 17.923 ( 0.880 -0.745 -0.721) 1.359 18.472 ( 1.553 1.983 -0.968) 2.698 18.613 ( 0.598 0.095 1.771) 1.871 28.214 ( -0.573 -0.116 -0.126) 0.598 28.239 ( 0.307 -0.021 0.574) 0.651 31.534 ( 2.489 1.321 1.448) 3.168 31.902 ( -3.197 -1.740 -4.539) 5.818 32.160 ( -0.827 -1.982 2.830) 3.553 32.363 ( 1.864 -9.237 4.361) 10.383 32.728 ( 6.934 18.350 -2.677) 19.798 34.452 ( -2.376 -5.295 -2.656) 6.382 ======================= Grid point 131 (42/216) ======================= q-point: ( 0.55 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 2.826 1.958 -2.598) 4.309 2.511 ( -1.434 2.960 15.802) 16.141 2.601 ( 2.605 -2.877 -12.714) 13.293 3.029 ( 3.890 5.133 2.330) 6.849 3.211 ( -14.692 -6.968 -0.364) 16.265 3.405 ( 2.979 0.373 -1.837) 3.520 3.601 ( 4.714 1.461 2.156) 5.386 3.735 ( -0.509 0.104 -0.105) 0.530 4.003 ( 4.877 6.723 0.656) 8.332 4.098 ( 5.852 10.439 -0.514) 11.979 4.506 ( 0.110 1.256 1.485) 1.948 4.640 ( -3.272 -6.079 1.959) 7.176 4.786 ( -7.227 -4.540 10.937) 13.873 5.079 ( 5.584 1.007 -4.565) 7.282 5.440 ( -0.558 -1.556 0.766) 1.822 5.540 ( 0.879 -1.079 5.924) 6.085 5.667 ( -1.654 2.272 -0.779) 2.917 5.856 ( 4.599 -3.588 -9.260) 10.944 6.037 ( -8.380 -5.268 1.758) 10.053 6.170 ( -0.599 -0.619 3.597) 3.699 6.901 ( 0.931 3.517 -3.774) 5.242 7.092 ( 5.638 1.442 -3.421) 6.750 7.269 ( 0.831 -0.369 -0.320) 0.964 7.387 ( -0.217 1.116 -0.325) 1.183 12.753 ( 0.520 0.618 0.070) 0.811 12.833 ( 0.525 -0.269 0.060) 0.593 13.479 ( -0.057 1.018 -0.831) 1.316 13.812 ( -0.767 -0.906 0.798) 1.430 17.428 ( 0.146 0.177 -0.216) 0.315 17.672 ( -0.605 -2.797 1.971) 3.475 17.744 ( -1.868 1.915 -1.896) 3.279 17.900 ( 0.184 -1.241 -0.595) 1.389 18.456 ( 1.375 0.863 -0.747) 1.788 18.613 ( 0.440 -0.437 0.788) 1.003 28.224 ( -0.748 0.012 0.032) 0.749 28.234 ( 0.635 -0.119 0.228) 0.685 31.508 ( 1.668 0.382 -0.379) 1.752 31.917 ( -1.768 -0.079 0.647) 1.885 32.178 ( -4.709 -7.488 1.457) 8.965 32.276 ( 4.474 -5.868 4.826) 8.817 32.786 ( 5.158 20.524 -5.818) 21.948 34.420 ( -2.321 -6.754 -0.501) 7.160 ======================= Grid point 132 (43/216) ======================= q-point: (-0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 10.222 -4.356 -7.919) 13.644 2.346 ( 6.435 -5.960 -16.804) 18.956 2.773 ( -2.827 5.692 13.670) 15.075 3.003 ( 6.239 1.707 7.084) 9.593 3.326 ( -9.505 -2.498 -13.791) 16.935 3.364 ( 0.081 -2.768 7.127) 7.646 3.533 ( 9.166 3.015 4.062) 10.469 3.723 ( 1.729 -0.016 -0.369) 1.768 4.023 ( 2.315 7.873 0.802) 8.245 4.163 ( -0.548 9.398 0.074) 9.415 4.446 ( 11.104 -9.615 -3.022) 14.996 4.540 ( 0.753 0.472 0.262) 0.927 4.911 ( 7.332 2.044 -8.302) 11.263 4.969 ( -7.584 -5.059 6.352) 11.112 5.313 ( 4.563 -7.283 -4.596) 9.746 5.424 ( 9.048 -6.257 -16.621) 19.931 5.666 ( -8.235 0.264 4.398) 9.340 5.934 ( -5.934 1.745 2.621) 6.717 6.116 ( -4.909 -3.594 1.789) 6.341 6.226 ( 1.933 3.213 10.029) 10.707 6.824 ( 3.468 -0.221 -3.505) 4.936 7.172 ( 2.628 3.154 16.889) 17.381 7.290 ( -11.131 2.459 -7.182) 13.473 7.395 ( 0.675 1.017 0.644) 1.380 12.744 ( 1.087 0.145 0.322) 1.143 12.840 ( -1.067 0.078 0.569) 1.212 13.466 ( 0.701 0.283 -2.571) 2.680 13.845 ( -2.022 0.737 2.124) 3.023 17.426 ( -0.057 0.227 -0.461) 0.517 17.667 ( 0.178 -2.158 2.243) 3.117 17.773 ( -1.353 2.299 -2.455) 3.625 17.887 ( -0.736 -1.732 -0.516) 1.952 18.433 ( 1.403 -0.243 -0.650) 1.565 18.603 ( 0.231 -0.786 -0.331) 0.884 28.223 ( 0.542 -0.072 -0.025) 0.547 28.235 ( -0.461 -0.006 0.017) 0.462 31.497 ( -0.566 0.028 -0.818) 0.995 31.948 ( 2.003 0.850 5.338) 5.764 32.159 ( -1.368 -8.648 0.337) 8.762 32.228 ( -1.480 -3.323 2.407) 4.362 32.853 ( 3.712 18.878 -7.600) 20.686 34.395 ( -2.369 -7.419 1.957) 8.030 ======================= Grid point 133 (44/216) ======================= q-point: (-0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 14.103 -4.121 -8.827) 17.140 2.012 ( 8.757 -7.832 -24.562) 27.227 2.728 ( 17.203 -0.053 10.605) 20.209 3.158 ( -9.168 3.586 8.063) 12.725 3.279 ( 4.961 -1.253 -8.445) 9.874 3.290 ( 13.354 2.156 -4.803) 14.354 3.496 ( 3.724 -4.194 14.706) 15.739 3.667 ( 4.739 0.905 -1.358) 5.012 3.971 ( 6.408 -7.094 -3.738) 10.265 4.168 ( 5.376 -0.733 -11.037) 12.299 4.284 ( -1.439 9.948 -0.404) 10.060 4.537 ( 0.225 4.698 -5.069) 6.915 4.779 ( 3.510 5.427 -7.354) 9.791 4.979 ( -0.211 -8.053 0.552) 8.075 5.140 ( 1.651 -10.897 -9.166) 14.334 5.265 ( -6.871 -4.245 -3.538) 8.818 5.853 ( -8.224 -0.412 8.325) 11.709 5.996 ( -0.729 0.585 -0.296) 0.980 6.121 ( 4.431 0.306 0.377) 4.458 6.275 ( 1.490 2.624 1.979) 3.609 6.833 ( -2.870 -1.010 10.188) 10.633 7.186 ( 5.771 -0.587 9.804) 11.392 7.397 ( 0.800 0.552 1.477) 1.768 7.585 ( -17.975 5.763 3.288) 19.161 12.731 ( 1.222 -0.015 0.905) 1.521 12.872 ( -2.140 0.173 0.740) 2.271 13.433 ( 0.910 0.202 -3.197) 3.330 13.910 ( -2.561 1.338 2.414) 3.765 17.426 ( -0.323 0.318 -1.204) 1.286 17.661 ( 0.717 -1.305 2.359) 2.789 17.791 ( -0.603 2.565 -2.828) 3.865 17.882 ( -1.634 -2.361 -0.558) 2.925 18.396 ( 1.796 -1.489 -0.768) 2.455 18.587 ( 0.111 -0.828 -1.188) 1.452 28.218 ( -0.040 0.056 -0.124) 0.142 28.236 ( 0.225 -0.099 -0.122) 0.275 31.507 ( -1.375 -0.020 -1.262) 1.866 31.914 ( 6.439 -1.922 4.407) 8.036 32.139 ( -1.467 -0.194 0.349) 1.520 32.256 ( -4.982 -5.566 1.745) 7.672 32.909 ( 1.390 14.304 -7.866) 16.384 34.384 ( -1.758 -6.734 4.277) 8.169 ======================= Grid point 134 (45/216) ======================= q-point: (-0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 18.825 -2.645 -8.679) 20.898 1.574 ( 11.334 -6.841 -32.233) 34.845 2.468 ( 28.469 -1.701 6.453) 29.241 2.863 ( 28.484 1.160 -0.208) 28.509 3.120 ( 6.215 -5.818 -4.942) 9.844 3.273 ( 16.603 -2.123 -0.591) 16.749 3.407 ( -5.057 -3.712 1.231) 6.392 3.723 ( -0.469 4.493 11.267) 12.139 3.853 ( 10.396 -3.327 -16.673) 19.928 3.887 ( -6.488 -0.897 -9.833) 11.815 4.487 ( -4.974 17.982 -2.077) 18.773 4.606 ( -7.228 5.076 -2.712) 9.239 4.774 ( 0.581 2.965 0.387) 3.046 4.934 ( -0.543 -18.066 -6.633) 19.252 5.011 ( -10.395 -4.547 -1.779) 11.484 5.312 ( -4.184 -3.406 -1.214) 5.531 5.938 ( 8.428 3.553 -1.397) 9.253 6.003 ( 3.494 -3.104 -1.842) 5.024 6.053 ( -3.328 1.223 11.270) 11.815 6.292 ( -0.638 0.754 0.080) 0.991 6.992 ( -4.372 -0.219 14.674) 15.313 7.159 ( 7.653 -0.625 13.040) 15.133 7.410 ( -0.286 0.232 2.625) 2.651 7.935 ( -19.054 4.224 -0.594) 19.525 12.721 ( 1.133 -0.003 1.443) 1.835 12.916 ( -2.607 0.131 0.678) 2.697 13.399 ( 0.779 0.298 -3.010) 3.124 13.978 ( -2.481 1.010 2.093) 3.399 17.423 ( -0.695 0.263 -2.400) 2.513 17.656 ( 1.052 -0.324 2.074) 2.348 17.800 ( 0.006 3.186 -2.786) 4.232 17.884 ( -2.447 -2.986 -0.620) 3.910 18.336 ( 2.629 -2.524 -1.025) 3.786 18.569 ( -0.005 -0.497 -1.599) 1.674 28.221 ( 0.526 0.304 -0.064) 0.611 28.228 ( -0.381 -0.306 -0.286) 0.566 31.514 ( -0.905 -0.148 -1.684) 1.917 31.811 ( 5.440 -1.222 -1.613) 5.804 32.164 ( 0.404 0.963 0.367) 1.107 32.308 ( -5.495 -3.607 2.474) 7.024 32.962 ( -1.707 7.669 -6.174) 9.992 34.387 ( -0.076 -4.376 6.479) 7.818 ======================= Grid point 135 (46/216) ======================= q-point: (-0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 24.301 -0.000 -7.515) 25.437 1.082 ( 12.936 -0.000 -39.536) 41.598 1.815 ( 48.515 -0.000 -7.427) 49.080 2.608 ( 13.900 0.000 11.507) 18.045 2.867 ( 20.455 -0.000 2.107) 20.563 3.024 ( 5.773 -0.000 -7.311) 9.315 3.231 ( 11.586 -0.000 -22.417) 25.234 3.760 ( -7.493 0.000 0.477) 7.508 3.882 ( 1.197 0.000 19.029) 19.066 3.957 ( -10.966 -0.000 -10.717) 15.333 4.555 ( 3.631 -0.000 -18.746) 19.094 4.783 ( -1.961 0.000 5.922) 6.238 4.801 ( -14.048 0.000 0.801) 14.071 4.852 ( -2.946 0.000 0.957) 3.098 5.140 ( -11.465 0.000 -2.357) 11.704 5.319 ( -0.220 0.000 -0.004) 0.220 5.747 ( 13.030 -0.000 -1.128) 13.079 5.958 ( 2.509 0.000 1.510) 2.929 6.199 ( -0.904 0.000 14.022) 14.051 6.288 ( 1.393 -0.000 0.098) 1.397 7.133 ( 12.714 0.000 23.658) 26.858 7.139 ( -2.323 0.000 10.022) 10.287 7.455 ( -1.985 0.000 4.241) 4.683 8.221 ( -21.267 -0.000 -13.825) 25.366 12.716 ( 0.874 0.000 1.503) 1.738 12.961 ( -2.343 0.000 0.493) 2.394 13.370 ( 0.558 -0.000 -2.307) 2.374 14.031 ( -1.912 0.000 1.496) 2.427 17.417 ( -1.323 -0.000 -3.823) 4.045 17.651 ( 1.132 0.000 1.205) 1.653 17.805 ( -0.073 -0.000 -2.187) 2.188 17.902 ( -2.864 0.000 -0.427) 2.896 18.262 ( 3.394 -0.000 -1.172) 3.591 18.556 ( -0.089 -0.000 -1.529) 1.532 28.204 ( 1.210 -0.000 -0.241) 1.234 28.242 ( -1.169 0.000 -0.065) 1.171 31.510 ( -0.376 -0.000 -1.534) 1.579 31.715 ( 0.575 -0.000 -10.117) 10.133 32.141 ( 2.322 -0.000 -0.443) 2.364 32.391 ( -4.697 0.000 2.223) 5.196 33.005 ( -3.366 -0.000 -3.468) 4.833 34.404 ( 2.750 0.000 9.706) 10.088 ======================= Grid point 136 (47/216) ======================= q-point: ( 0.00 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 22.750 -0.000 0.000) 22.750 0.893 ( 26.285 -0.000 0.000) 26.285 1.765 ( 53.935 -0.000 0.000) 53.935 2.757 ( 12.374 -0.000 0.000) 12.374 2.889 ( 22.551 -0.000 0.000) 22.551 2.962 ( 3.960 -0.000 0.000) 3.960 2.993 ( 14.121 -0.000 0.000) 14.121 3.769 ( -9.645 0.000 -0.000) 9.645 3.876 ( -9.316 0.000 -0.000) 9.316 4.097 ( 1.324 -0.000 0.000) 1.324 4.339 ( 3.973 -0.000 0.000) 3.973 4.808 ( -14.308 0.000 -0.000) 14.308 4.843 ( -3.490 0.000 -0.000) 3.490 4.848 ( -1.690 0.000 -0.000) 1.690 5.124 ( -11.926 0.000 -0.000) 11.926 5.318 ( -0.551 0.000 -0.000) 0.551 5.740 ( 12.548 -0.000 0.000) 12.548 5.965 ( -0.120 0.000 -0.000) 0.120 6.289 ( 1.293 -0.000 0.000) 1.293 6.318 ( -5.136 0.000 -0.000) 5.136 7.217 ( -0.820 0.000 -0.000) 0.820 7.445 ( -5.281 0.000 -0.000) 5.281 7.484 ( -4.168 0.000 -0.000) 4.168 7.997 ( -4.699 0.000 -0.000) 4.699 12.733 ( 1.028 -0.000 0.000) 1.028 12.964 ( -2.360 0.000 -0.000) 2.360 13.353 ( 0.652 -0.000 0.000) 0.652 14.042 ( -1.936 0.000 -0.000) 1.936 17.378 ( 0.073 -0.000 0.000) 0.073 17.660 ( 1.338 -0.000 0.000) 1.338 17.787 ( 0.195 -0.000 0.000) 0.195 17.899 ( -3.140 0.000 -0.000) 3.140 18.253 ( 3.574 -0.000 0.000) 3.574 18.542 ( -0.078 0.000 -0.000) 0.078 28.202 ( 1.271 -0.000 0.000) 1.271 28.241 ( -1.211 0.000 -0.000) 1.211 31.499 ( -0.081 0.000 -0.000) 0.081 31.623 ( 8.299 -0.000 0.000) 8.299 32.138 ( 2.606 -0.000 0.000) 2.606 32.408 ( -4.747 0.000 -0.000) 4.747 32.979 ( -3.798 0.000 -0.000) 3.798 34.485 ( -1.961 0.000 -0.000) 1.961 ======================= Grid point 138 (48/216) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -0.000 20.286 18.836) 27.682 0.763 ( -0.000 23.300 22.417) 32.333 1.257 ( 0.000 33.328 41.384) 53.135 2.535 ( -0.000 14.176 -12.620) 18.980 2.547 ( -0.000 6.887 -0.609) 6.914 2.990 ( 0.000 7.600 10.035) 12.588 3.124 ( 0.000 9.692 20.840) 22.984 3.898 ( -0.000 -2.318 -17.245) 17.400 3.904 ( -0.000 0.289 -5.359) 5.367 4.159 ( 0.000 -3.892 13.832) 14.369 4.568 ( 0.000 -4.979 2.695) 5.661 4.788 ( 0.000 -8.614 -0.947) 8.666 4.967 ( 0.000 -11.915 -0.386) 11.921 4.969 ( 0.000 3.139 4.232) 5.269 5.122 ( 0.000 -3.071 0.852) 3.187 5.428 ( -0.000 -0.249 -1.917) 1.933 5.438 ( -0.000 8.202 -0.743) 8.236 5.903 ( -0.000 16.973 -17.202) 24.166 6.252 ( -0.000 0.860 -0.087) 0.865 6.410 ( -0.000 31.217 -40.987) 51.521 6.742 ( -0.000 2.857 -1.052) 3.045 7.174 ( -0.000 -0.150 -7.451) 7.453 7.484 ( -0.000 -0.478 -8.045) 8.060 8.506 ( 0.000 -30.092 26.877) 40.347 12.727 ( 0.000 0.512 0.937) 1.067 12.997 ( 0.000 -0.476 -0.487) 0.681 13.358 ( 0.000 0.661 1.280) 1.441 14.036 ( 0.000 -2.713 -1.477) 3.089 17.500 ( 0.000 -6.957 8.565) 11.034 17.502 ( 0.000 -1.399 -0.793) 1.608 17.658 ( 0.000 -1.099 3.827) 3.981 17.965 ( -0.000 0.577 -0.261) 0.633 18.504 ( -0.000 8.855 -8.885) 12.544 18.555 ( -0.000 0.928 0.101) 0.934 28.181 ( 0.000 -0.056 0.382) 0.386 28.263 ( 0.000 -0.134 -0.041) 0.141 31.540 ( 0.000 -2.059 6.816) 7.121 31.697 ( 0.000 -7.875 11.947) 14.309 32.330 ( -0.000 0.004 -1.570) 1.570 32.520 ( -0.000 4.558 -3.055) 5.487 33.026 ( 0.000 -4.324 3.523) 5.578 34.289 ( -0.000 11.026 -17.924) 21.044 ======================= Grid point 139 (49/216) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -10.871 21.714 14.579) 28.324 1.264 ( -17.151 13.283 24.078) 32.409 1.933 ( -10.084 28.823 33.723) 45.494 2.523 ( 0.334 11.356 -6.423) 13.051 2.821 ( -16.081 12.073 -0.923) 20.130 3.168 ( -3.143 11.262 7.240) 13.752 3.469 ( -7.777 14.442 22.376) 27.744 3.700 ( 3.815 -3.743 -17.640) 18.432 3.813 ( 5.075 -1.897 -4.815) 7.248 4.149 ( 9.439 -5.491 14.838) 18.423 4.386 ( 9.506 -9.580 8.560) 15.982 4.684 ( -0.347 -7.117 -2.574) 7.576 4.804 ( 7.360 -7.867 0.294) 10.777 5.039 ( -0.471 1.623 10.252) 10.390 5.367 ( -0.955 -0.685 -2.466) 2.731 5.395 ( -20.700 -5.322 -1.015) 21.397 5.566 ( -7.070 2.593 -1.292) 7.641 5.887 ( 6.921 13.512 -15.548) 21.730 6.149 ( 7.670 2.846 -0.292) 8.186 6.408 ( 1.360 8.322 -11.639) 14.373 6.873 ( -11.712 5.423 -10.975) 16.943 7.093 ( 1.570 0.113 -11.379) 11.487 7.407 ( 0.093 -0.426 -9.935) 9.945 8.305 ( 12.138 -17.630 10.553) 23.865 12.731 ( 0.982 1.011 0.925) 1.686 12.977 ( 1.303 -0.657 -0.687) 1.613 13.379 ( -0.133 0.828 2.218) 2.371 13.987 ( 0.772 -3.551 -2.050) 4.172 17.446 ( 1.664 -0.976 1.357) 2.359 17.560 ( -4.713 -3.317 0.024) 5.763 17.685 ( -1.133 -2.276 4.609) 5.264 17.966 ( 0.279 0.552 -0.527) 0.813 18.482 ( 3.744 6.385 -3.014) 7.992 18.583 ( -0.949 1.499 0.482) 1.838 28.189 ( -0.683 -0.080 0.481) 0.840 28.256 ( 0.623 -0.147 0.004) 0.640 31.557 ( 0.979 -3.874 8.465) 9.360 31.735 ( -1.108 2.420 3.311) 4.248 32.265 ( 5.322 2.050 -0.836) 5.764 32.514 ( 1.710 4.117 -5.917) 7.409 32.952 ( 7.339 -4.373 6.619) 10.807 34.330 ( -7.863 2.942 -11.936) 14.593 ======================= Grid point 140 (50/216) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -7.265 19.567 14.661) 25.507 1.816 ( -18.163 9.543 19.803) 28.515 2.427 ( -4.100 12.161 9.707) 16.091 2.726 ( -10.936 14.465 8.666) 20.097 3.165 ( -12.192 4.565 1.824) 13.146 3.390 ( -3.849 13.685 4.659) 14.960 3.504 ( 0.727 -2.206 -12.394) 12.610 3.616 ( 6.893 4.100 -4.937) 9.418 3.966 ( -10.285 9.056 22.145) 26.042 4.043 ( 6.965 -4.415 11.195) 13.905 4.267 ( 2.767 -8.882 8.316) 12.478 4.598 ( 5.426 -2.758 -2.025) 6.415 4.657 ( 3.068 -3.291 1.606) 4.777 5.102 ( 2.682 -0.792 7.526) 8.028 5.343 ( 1.443 1.076 3.738) 4.149 5.630 ( -15.808 -10.986 -8.152) 20.905 5.688 ( -10.452 -2.215 -0.466) 10.694 5.717 ( 12.790 10.854 -5.211) 17.565 6.125 ( 1.171 2.655 0.673) 2.979 6.339 ( 5.657 2.839 -5.843) 8.614 6.951 ( 1.230 0.807 -13.698) 13.776 7.008 ( -7.071 4.781 -12.224) 14.909 7.344 ( -1.565 -0.275 -8.858) 8.999 7.997 ( 15.426 -11.296 1.613) 19.187 12.734 ( 0.791 1.347 0.693) 1.709 12.937 ( 2.117 -0.698 -0.854) 2.387 13.411 ( -0.437 0.944 2.933) 3.112 13.921 ( 1.109 -3.692 -2.358) 4.519 17.432 ( 0.338 -0.226 -0.084) 0.415 17.598 ( -3.839 -1.633 -1.235) 4.350 17.711 ( -1.092 -3.107 4.183) 5.324 17.957 ( 0.797 0.273 -0.882) 1.220 18.471 ( 2.433 4.568 -1.282) 5.332 18.613 ( -0.218 1.352 1.380) 1.944 28.203 ( -0.694 -0.250 0.219) 0.770 28.246 ( 0.534 0.066 0.355) 0.645 31.573 ( 0.616 -2.011 6.423) 6.759 31.800 ( -1.408 3.652 -0.701) 3.976 32.210 ( 3.613 1.721 -0.019) 4.002 32.466 ( 0.840 0.738 -6.094) 6.196 32.849 ( 9.369 -0.746 7.761) 12.189 34.379 ( -6.509 -0.368 -8.702) 10.873 ======================= Grid point 141 (51/216) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -4.575 15.339 13.283) 20.800 2.271 ( -12.322 9.561 14.252) 21.127 2.582 ( -4.298 2.871 0.867) 5.241 3.004 ( -6.725 -2.356 1.333) 7.249 3.143 ( 6.776 -0.044 -3.422) 7.591 3.424 ( 2.079 2.938 -3.272) 4.864 3.615 ( -1.858 12.088 3.546) 12.734 3.687 ( -2.291 2.078 12.731) 13.101 4.021 ( -2.578 -1.869 5.382) 6.253 4.187 ( 3.720 1.336 2.711) 4.793 4.364 ( -6.062 6.715 9.330) 12.996 4.516 ( 1.929 1.029 0.305) 2.207 4.647 ( -0.391 -2.577 9.321) 9.678 5.122 ( -0.683 4.037 3.490) 5.380 5.376 ( 1.074 -1.177 9.469) 9.602 5.479 ( 5.200 -0.338 -8.149) 9.672 5.768 ( -4.645 -2.425 -0.968) 5.329 5.830 ( -10.416 -4.525 0.485) 11.366 6.098 ( 3.362 -1.263 -4.405) 5.683 6.220 ( 5.778 0.870 -3.934) 7.044 6.837 ( 1.069 2.149 -9.967) 10.252 7.066 ( -5.067 4.203 -12.642) 14.254 7.319 ( -2.966 -0.108 -7.240) 7.824 7.666 ( 15.639 -7.167 -0.550) 17.212 12.742 ( 0.453 1.367 0.575) 1.551 12.890 ( 2.194 -0.581 -0.904) 2.443 13.449 ( -0.464 0.923 2.804) 2.988 13.856 ( 0.853 -3.039 -2.130) 3.808 17.426 ( -0.049 0.058 -0.745) 0.749 17.633 ( -3.347 -0.512 -1.514) 3.709 17.723 ( -0.667 -3.254 3.423) 4.770 17.935 ( 0.943 -0.270 -1.095) 1.470 18.467 ( 1.709 2.955 -0.889) 3.527 18.632 ( 0.510 0.842 1.599) 1.878 28.208 ( -0.412 -0.329 -0.117) 0.540 28.247 ( 0.221 0.217 0.657) 0.727 31.584 ( 2.408 0.252 3.857) 4.554 31.822 ( -2.359 -0.144 -4.293) 4.900 32.189 ( 0.923 0.021 1.488) 1.751 32.436 ( -1.081 -1.011 -1.718) 2.268 32.762 ( 11.016 5.606 5.239) 13.425 34.398 ( -5.164 -2.606 -6.447) 8.662 ======================= Grid point 142 (52/216) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -0.856 7.257 6.636) 9.871 2.553 ( -1.699 6.087 -0.092) 6.321 2.619 ( 0.515 -1.800 9.917) 10.092 2.912 ( -2.536 -2.872 -10.900) 11.554 3.171 ( -4.634 -0.438 3.520) 5.835 3.436 ( 3.359 5.737 2.896) 7.251 3.705 ( 3.229 2.153 8.714) 9.539 3.772 ( 1.624 -1.965 10.032) 10.350 4.051 ( 5.269 2.399 2.039) 6.138 4.129 ( 8.289 7.983 0.662) 11.527 4.511 ( -0.535 0.217 -1.889) 1.975 4.557 ( -7.173 3.951 2.437) 8.544 4.782 ( -7.668 -1.961 11.664) 14.096 5.118 ( 5.922 1.559 -3.729) 7.170 5.418 ( -1.085 0.798 -1.257) 1.842 5.542 ( -8.100 3.782 11.046) 14.210 5.698 ( 6.413 -3.713 -4.025) 8.433 5.913 ( 7.058 -5.147 -12.629) 15.356 5.953 ( -9.888 -4.929 1.399) 11.137 6.172 ( -0.968 0.543 1.553) 1.909 6.835 ( -2.631 2.672 -1.243) 3.951 7.033 ( 0.467 2.612 -14.265) 14.509 7.320 ( -2.776 0.203 -5.772) 6.409 7.422 ( 9.625 -2.638 3.231) 10.490 12.752 ( 0.333 1.104 0.523) 1.267 12.850 ( 1.490 -0.326 -0.665) 1.664 13.475 ( 0.144 0.378 1.394) 1.451 13.816 ( -0.168 -1.512 -0.940) 1.788 17.423 ( -0.159 0.120 -0.833) 0.857 17.668 ( -2.792 0.047 -1.318) 3.088 17.724 ( -0.243 -2.524 2.536) 3.586 17.909 ( 0.488 -0.956 -1.102) 1.538 18.459 ( 1.275 1.667 -0.739) 2.225 18.635 ( 1.113 0.185 1.104) 1.579 28.213 ( -0.691 -0.122 -0.063) 0.704 28.247 ( 0.611 0.077 0.445) 0.760 31.550 ( 4.059 0.468 0.652) 4.137 31.844 ( -5.201 -0.859 -3.153) 6.143 32.192 ( -2.554 -4.877 1.433) 5.689 32.435 ( 2.124 -2.456 4.936) 5.908 32.700 ( 10.217 14.016 -0.695) 17.359 34.400 ( -4.749 -4.668 -4.268) 7.909 ======================= Grid point 143 (53/216) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 6.845 -4.360 -3.341) 8.777 2.396 ( 8.065 -3.812 -11.987) 14.942 2.793 ( -3.048 3.952 18.191) 18.863 2.970 ( -7.616 6.210 -7.278) 12.228 3.254 ( -0.581 -1.484 5.614) 5.836 3.431 ( 5.073 3.361 2.589) 6.614 3.680 ( 2.365 -6.038 6.466) 9.158 3.786 ( 5.047 0.004 8.756) 10.107 4.028 ( 7.486 10.035 2.927) 12.857 4.104 ( 4.649 10.083 2.013) 11.284 4.499 ( 0.954 0.904 -2.380) 2.719 4.648 ( -0.751 -5.678 -0.773) 5.780 4.904 ( -1.858 -1.292 -0.589) 2.339 4.997 ( 4.720 -0.125 -1.405) 4.926 5.432 ( 3.701 -4.062 -1.632) 5.733 5.481 ( 7.065 -3.037 -15.217) 17.050 5.590 ( 0.308 -2.791 -3.231) 4.281 5.835 ( -7.740 0.040 2.231) 8.055 6.065 ( -8.616 -5.094 1.652) 10.145 6.270 ( -0.885 4.881 8.993) 10.270 6.858 ( 2.583 -0.095 -1.289) 2.888 7.019 ( -9.043 3.784 -5.089) 11.045 7.315 ( 1.500 0.796 3.143) 3.572 7.363 ( -0.042 0.580 -1.151) 1.290 12.757 ( 0.652 0.669 0.495) 1.057 12.833 ( 0.064 0.030 -0.113) 0.133 13.468 ( 1.044 -0.391 -0.627) 1.279 13.823 ( -1.545 0.327 0.696) 1.726 17.420 ( -0.157 0.017 -0.745) 0.762 17.696 ( -1.457 -0.888 0.294) 1.731 17.726 ( -0.390 -0.095 0.427) 0.586 17.888 ( -0.410 -1.717 -0.962) 2.010 18.447 ( 1.063 0.508 -0.520) 1.288 18.619 ( 1.289 -0.306 0.144) 1.332 28.225 ( -0.780 0.070 0.016) 0.784 28.236 ( 0.916 -0.075 0.141) 0.930 31.503 ( 2.088 0.244 -0.366) 2.134 31.917 ( -5.382 1.223 -0.569) 5.549 32.194 ( -5.779 -10.536 0.675) 12.036 32.369 ( 9.167 -1.847 7.331) 11.883 32.708 ( 6.327 18.612 -4.676) 20.206 34.401 ( -4.960 -6.289 -1.959) 8.246 ======================= Grid point 144 (54/216) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 12.364 -5.015 -7.173) 15.148 2.105 ( 9.421 -9.124 -13.725) 18.983 3.003 ( 0.961 4.170 12.936) 13.626 3.083 ( -5.027 4.028 2.541) 6.925 3.204 ( 4.994 -2.159 1.438) 5.627 3.392 ( 7.860 6.358 -1.041) 10.163 3.687 ( -2.157 -6.937 9.308) 11.807 3.752 ( 8.622 4.224 7.614) 12.254 4.042 ( 3.688 7.744 1.475) 8.704 4.154 ( 4.460 6.584 -1.590) 8.110 4.400 ( 11.106 -8.706 -2.785) 14.384 4.487 ( 3.439 0.531 -7.950) 8.678 4.768 ( 8.320 3.716 -7.979) 12.111 5.040 ( -2.202 -4.901 1.758) 5.653 5.147 ( 3.950 -4.283 -18.116) 19.030 5.270 ( 1.580 -11.786 -1.600) 11.998 5.753 ( -11.432 1.008 6.671) 13.274 5.942 ( -5.124 -0.199 -0.801) 5.190 6.143 ( -4.229 -2.679 1.909) 5.358 6.317 ( 7.388 6.007 1.028) 9.578 6.876 ( -3.197 -1.712 10.529) 11.136 7.172 ( -9.681 0.841 -7.714) 12.407 7.367 ( -2.217 0.700 -4.655) 5.203 7.408 ( -3.535 5.787 13.567) 15.168 12.753 ( 0.992 0.433 0.768) 1.327 12.846 ( -1.367 0.226 0.280) 1.413 13.434 ( 1.420 -0.510 -1.675) 2.254 13.872 ( -2.419 1.390 1.406) 3.125 17.415 ( -0.076 -0.176 -0.939) 0.958 17.700 ( 0.390 -1.403 1.949) 2.433 17.741 ( -0.815 1.845 -1.675) 2.622 17.877 ( -1.441 -2.571 -0.776) 3.048 18.426 ( 1.203 -0.719 -0.301) 1.434 18.594 ( 1.065 -0.538 -0.796) 1.435 28.223 ( 0.654 -0.119 -0.040) 0.666 28.235 ( -0.325 0.126 -0.016) 0.349 31.488 ( 0.252 0.733 -0.431) 0.886 32.009 ( -2.795 1.736 2.675) 4.241 32.163 ( -2.004 -12.027 0.300) 12.196 32.275 ( 4.907 0.478 3.705) 6.167 32.758 ( 4.241 17.006 -5.014) 18.230 34.410 ( -5.034 -6.987 0.198) 8.614 ======================= Grid point 145 (55/216) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 16.318 -3.589 -11.570) 20.323 1.737 ( 13.882 -11.606 -10.473) 20.907 2.931 ( 20.033 1.750 14.716) 24.919 3.148 ( -1.516 -4.753 -5.367) 7.327 3.207 ( 15.829 8.275 -2.627) 18.054 3.314 ( -2.661 1.591 6.734) 7.413 3.602 ( 10.851 -3.086 -2.073) 11.470 3.756 ( 6.672 -0.466 8.337) 10.688 3.907 ( 9.651 -8.067 -7.003) 14.397 3.994 ( 9.507 -3.904 -2.706) 10.628 4.262 ( -0.654 13.820 -3.473) 14.264 4.470 ( 0.038 4.973 -3.510) 6.087 4.701 ( -2.023 4.856 -4.527) 6.940 4.889 ( 0.086 -3.660 -9.746) 10.411 5.095 ( -3.463 -16.833 2.692) 17.396 5.229 ( -7.471 -3.272 -2.348) 8.488 5.944 ( -4.324 -1.530 2.279) 5.121 6.020 ( -6.613 1.558 4.392) 8.090 6.127 ( 9.325 1.627 0.422) 9.475 6.260 ( -0.670 1.222 -2.098) 2.518 7.033 ( -4.586 -0.650 14.344) 15.074 7.236 ( -4.454 -0.295 -1.101) 4.598 7.375 ( -2.804 0.515 -4.445) 5.281 7.672 ( -10.171 6.805 6.730) 13.966 12.748 ( 1.114 0.457 1.177) 1.684 12.880 ( -2.296 0.218 0.336) 2.330 13.397 ( 1.307 -0.156 -1.663) 2.121 13.937 ( -2.722 1.582 1.256) 3.389 17.405 ( 0.011 -0.331 -1.455) 1.492 17.692 ( 1.157 -0.515 1.713) 2.130 17.755 ( -0.184 2.420 -1.836) 3.044 17.873 ( -2.375 -3.484 -0.573) 4.256 18.388 ( 1.785 -2.105 -0.258) 2.772 18.567 ( 0.673 -0.523 -1.223) 1.491 28.216 ( -0.112 -0.078 -0.077) 0.157 28.235 ( 0.476 0.094 -0.090) 0.494 31.492 ( -0.057 1.047 -0.701) 1.261 31.971 ( 8.720 -4.950 2.978) 10.460 32.139 ( -2.485 1.294 -0.220) 2.811 32.281 ( -4.052 -3.955 1.453) 5.846 32.819 ( 1.223 12.895 -4.196) 13.615 34.428 ( -4.390 -6.369 1.782) 7.938 ======================= Grid point 146 (56/216) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 19.709 -3.672 -15.014) 25.047 1.320 ( 20.523 -8.780 -3.907) 22.662 2.549 ( 43.682 -0.741 3.201) 43.805 2.916 ( 17.709 3.140 6.209) 19.027 3.055 ( 3.290 -4.561 -3.009) 6.379 3.263 ( 18.917 -0.890 -2.192) 19.064 3.346 ( 15.728 -10.478 -6.880) 20.112 3.624 ( -6.507 0.709 -4.407) 7.890 3.768 ( -5.560 -2.237 -3.544) 6.962 4.028 ( 1.960 3.327 16.881) 17.317 4.365 ( 1.842 17.976 -13.197) 22.376 4.583 ( -11.288 3.240 -0.252) 11.746 4.778 ( -3.781 1.789 -0.167) 4.186 4.831 ( -1.871 -1.975 -3.314) 4.288 5.042 ( -10.904 -19.962 2.092) 22.841 5.293 ( -3.822 -0.595 -1.000) 3.996 5.923 ( 10.118 2.760 -0.486) 10.498 5.983 ( 2.220 -3.164 -0.720) 3.932 6.185 ( -5.455 2.753 5.053) 7.929 6.294 ( -2.483 -0.583 0.316) 2.570 7.171 ( -2.095 -0.026 7.887) 8.160 7.318 ( -3.890 -0.002 7.064) 8.064 7.411 ( -4.588 0.341 -1.521) 4.846 7.897 ( -9.081 4.958 -2.969) 10.764 12.743 ( 1.159 0.425 1.109) 1.659 12.923 ( -2.674 0.143 0.214) 2.686 13.369 ( 0.990 0.145 -1.018) 1.427 13.999 ( -2.551 1.077 0.712) 2.859 17.389 ( 0.043 -0.312 -1.653) 1.682 17.679 ( 1.474 0.001 0.874) 1.714 17.769 ( 0.395 3.619 -1.196) 3.832 17.877 ( -3.088 -4.055 -0.314) 5.106 18.326 ( 2.724 -3.131 -0.291) 4.160 18.548 ( 0.245 -0.317 -0.935) 1.017 28.221 ( 0.948 0.132 0.025) 0.958 28.225 ( -0.721 -0.103 -0.158) 0.745 31.496 ( 0.140 0.970 -0.658) 1.180 31.791 ( 9.794 -2.935 -0.836) 10.259 32.167 ( 0.751 0.671 0.103) 1.012 32.335 ( -5.581 -2.796 1.023) 6.325 32.900 ( -2.462 7.136 -2.149) 7.848 34.453 ( -3.170 -4.110 2.369) 5.706 ======================= Grid point 150 (57/216) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 14.750 22.543) 26.940 1.043 ( -0.000 28.348 18.366) 33.778 2.013 ( 0.000 14.322 55.213) 57.041 2.383 ( -0.000 16.693 -8.199) 18.598 2.525 ( -0.000 7.616 -2.383) 7.980 3.137 ( 0.000 5.476 11.200) 12.467 3.494 ( 0.000 7.902 24.903) 26.126 3.616 ( -0.000 -0.582 -18.810) 18.819 3.810 ( -0.000 0.303 -4.625) 4.635 4.434 ( 0.000 -7.198 21.806) 22.963 4.625 ( 0.000 -7.518 4.262) 8.642 4.750 ( 0.000 -6.565 -3.939) 7.657 4.964 ( 0.000 -9.673 0.529) 9.687 5.066 ( 0.000 6.318 8.346) 10.468 5.140 ( 0.000 -3.034 1.691) 3.474 5.388 ( -0.000 -0.356 -3.249) 3.269 5.425 ( -0.000 9.179 -0.908) 9.224 5.648 ( -0.000 20.151 -10.806) 22.865 6.184 ( -0.000 8.652 -3.699) 9.409 6.249 ( -0.000 1.137 -0.334) 1.185 6.715 ( -0.000 2.400 -2.747) 3.648 7.013 ( -0.000 0.125 -14.058) 14.059 7.315 ( -0.000 -0.002 -14.447) 14.447 8.591 ( 0.000 -15.658 -9.205) 18.164 12.751 ( 0.000 0.138 2.143) 2.147 12.986 ( -0.000 -0.405 -0.991) 1.071 13.402 ( 0.000 -0.950 4.420) 4.521 14.003 ( -0.000 -2.553 -2.920) 3.879 17.487 ( 0.000 -1.733 -1.105) 2.055 17.554 ( 0.000 -4.635 0.288) 4.644 17.746 ( 0.000 -3.945 6.326) 7.455 17.959 ( -0.000 0.641 -0.506) 0.817 18.409 ( -0.000 10.936 -3.751) 11.561 18.555 ( -0.000 1.055 -0.176) 1.070 28.189 ( 0.000 -0.060 0.707) 0.710 28.262 ( 0.000 -0.133 -0.132) 0.187 31.613 ( -0.000 4.324 4.639) 6.342 31.865 ( 0.000 -16.909 9.378) 19.335 32.294 ( -0.000 1.238 -3.452) 3.667 32.460 ( -0.000 1.088 -4.761) 4.884 33.099 ( 0.000 -2.362 6.126) 6.566 34.067 ( -0.000 12.534 -12.289) 17.553 ======================= Grid point 151 (58/216) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -7.122 20.300 16.641) 27.198 1.585 ( -17.317 16.942 19.934) 31.373 2.392 ( 4.021 11.861 2.496) 12.771 2.586 ( -3.956 17.306 36.985) 41.025 2.802 ( -18.002 15.446 -1.215) 23.751 3.291 ( -2.060 7.133 8.193) 11.056 3.448 ( 2.127 -2.461 -15.699) 16.033 3.625 ( 4.426 4.074 -5.240) 7.977 3.941 ( -7.410 5.083 25.952) 27.463 4.389 ( 11.389 -9.789 15.615) 21.665 4.498 ( 5.928 -11.132 7.260) 14.552 4.639 ( 0.459 -5.629 -3.360) 6.572 4.824 ( 9.095 -4.339 3.135) 10.553 5.197 ( 0.020 0.849 9.467) 9.505 5.314 ( -9.312 -0.775 -4.416) 10.336 5.379 ( -11.107 -2.332 -0.596) 11.364 5.543 ( -6.030 4.053 -1.677) 7.456 5.703 ( 3.919 12.923 -6.400) 14.943 6.149 ( 4.894 3.288 0.161) 5.899 6.310 ( -0.954 3.943 -3.395) 5.290 6.760 ( -5.588 3.883 -6.585) 9.470 6.886 ( 2.063 0.698 -15.988) 16.136 7.224 ( -2.256 0.439 -14.314) 14.497 8.291 ( 10.689 -11.607 -10.545) 18.978 12.755 ( 1.624 0.689 2.175) 2.800 12.963 ( 1.319 -0.532 -1.185) 1.851 13.431 ( -0.247 -0.498 4.764) 4.796 13.946 ( 0.696 -3.247 -3.394) 4.749 17.448 ( 0.885 -1.824 -0.628) 2.122 17.550 ( -3.113 -2.439 -1.241) 4.145 17.765 ( -0.655 -3.309 5.436) 6.398 17.957 ( 0.553 0.606 -0.730) 1.098 18.448 ( 2.298 6.817 -1.407) 7.330 18.584 ( -1.757 1.874 -0.312) 2.588 28.198 ( -0.484 -0.122 0.681) 0.844 28.255 ( 0.429 -0.096 -0.068) 0.444 31.671 ( 2.285 1.166 6.858) 7.322 31.798 ( 0.212 -6.389 5.057) 8.151 32.243 ( 3.739 2.148 -2.154) 4.820 32.417 ( 0.351 0.417 -6.944) 6.966 33.064 ( 7.650 -2.139 8.335) 11.514 34.153 ( -8.929 5.586 -11.778) 15.800 ======================= Grid point 152 (59/216) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -6.611 20.355 13.538) 25.324 2.094 ( -14.428 7.992 16.875) 23.596 2.483 ( -4.219 7.976 0.132) 9.024 2.991 ( -0.480 5.480 17.824) 18.654 3.177 ( -6.252 4.487 2.638) 8.135 3.353 ( -3.925 4.703 -5.483) 8.221 3.407 ( -2.301 13.846 -3.896) 14.567 3.604 ( -2.125 8.044 5.357) 9.896 4.206 ( 6.082 -6.324 9.511) 12.940 4.274 ( 1.645 -4.056 14.477) 15.125 4.431 ( 1.996 -3.171 16.953) 17.362 4.557 ( 2.120 -3.423 -2.475) 4.726 4.734 ( 2.817 0.913 9.176) 9.642 5.155 ( 5.348 0.121 0.952) 5.433 5.390 ( -0.213 4.873 -2.945) 5.698 5.489 ( -5.415 -6.961 -3.384) 9.446 5.662 ( -7.930 0.926 -1.739) 8.171 5.739 ( -3.300 2.345 3.365) 5.265 6.118 ( 2.803 1.098 -2.328) 3.805 6.271 ( 5.157 1.608 -3.727) 6.563 6.758 ( 0.201 1.105 -10.908) 10.965 6.840 ( -5.936 5.321 -10.841) 13.456 7.186 ( -4.375 0.854 -11.692) 12.512 7.932 ( 13.151 -8.063 -9.713) 18.229 12.753 ( 1.512 1.160 1.837) 2.647 12.921 ( 2.108 -0.513 -1.345) 2.552 13.468 ( -0.253 -0.195 4.674) 4.685 13.877 ( 0.855 -3.139 -3.486) 4.768 17.422 ( 0.062 -0.989 -0.980) 1.394 17.574 ( -3.513 -1.257 -1.801) 4.143 17.778 ( -0.406 -3.620 4.575) 5.848 17.942 ( 0.960 0.193 -1.065) 1.447 18.457 ( 1.964 4.028 -0.580) 4.518 18.625 ( -0.950 1.968 0.321) 2.209 28.206 ( -0.288 -0.383 0.216) 0.525 28.252 ( 0.174 0.229 0.343) 0.448 31.668 ( 2.838 -2.074 6.068) 7.013 31.794 ( 1.010 0.276 -0.089) 1.050 32.207 ( 1.673 1.380 -0.343) 2.196 32.378 ( -1.436 0.881 -5.825) 6.064 32.970 ( 10.442 -0.701 8.499) 13.482 34.240 ( -8.304 1.378 -9.678) 12.827 ======================= Grid point 153 (60/216) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -2.341 15.728 11.697) 19.740 2.410 ( -7.892 5.824 5.234) 11.118 2.657 ( -7.539 0.352 6.334) 9.853 2.939 ( 4.420 -7.472 -5.686) 10.378 3.122 ( 3.300 1.838 -4.323) 5.741 3.462 ( 2.978 8.115 9.283) 12.685 3.675 ( -4.404 12.176 5.661) 14.131 3.883 ( -9.856 8.370 11.510) 17.311 4.103 ( 2.825 -6.447 5.144) 8.718 4.234 ( 8.118 0.454 4.676) 9.380 4.451 ( 4.873 2.535 1.572) 5.713 4.532 ( 0.073 0.940 5.427) 5.508 4.826 ( -0.274 -2.792 10.829) 11.186 5.160 ( 2.745 4.354 1.986) 5.517 5.365 ( -2.007 0.685 -4.761) 5.212 5.484 ( -2.466 0.043 2.670) 3.635 5.752 ( -1.311 -0.359 -1.755) 2.220 5.842 ( -9.200 -4.221 -0.286) 10.126 5.988 ( 7.439 -2.866 -8.455) 11.621 6.178 ( 2.994 0.937 -1.326) 3.406 6.758 ( -4.478 0.592 -1.504) 4.761 6.875 ( -2.750 5.557 -12.403) 13.866 7.196 ( -5.039 0.806 -8.002) 9.490 7.622 ( 10.925 -4.926 -5.337) 13.119 12.757 ( 0.992 1.210 1.417) 2.111 12.874 ( 2.040 -0.305 -1.308) 2.442 13.497 ( 0.281 -0.429 3.576) 3.613 13.819 ( 0.229 -2.026 -2.704) 3.386 17.411 ( -0.296 -0.236 -1.136) 1.198 17.608 ( -3.426 -0.343 -1.746) 3.860 17.778 ( 0.006 -3.690 3.775) 5.279 17.917 ( 0.823 -0.501 -1.321) 1.635 18.456 ( 1.444 2.359 -0.567) 2.823 18.649 ( 0.402 1.277 0.699) 1.511 28.206 ( -0.350 -0.377 -0.062) 0.518 28.255 ( 0.275 0.326 0.472) 0.637 31.632 ( 5.429 0.325 2.311) 5.909 31.772 ( -2.110 -1.998 -2.226) 3.661 32.205 ( -1.979 -3.553 0.611) 4.112 32.408 ( -1.384 6.726 -1.851) 7.112 32.854 ( 12.453 1.557 6.732) 14.241 34.296 ( -7.195 -1.672 -7.107) 10.250 ======================= Grid point 154 (61/216) ======================= q-point: ( 0.64 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 3.459 -0.591 5.176) 6.254 2.488 ( 7.283 0.806 -3.676) 8.198 2.739 ( -6.463 1.793 -5.967) 8.977 2.854 ( -1.174 0.823 8.513) 8.633 3.186 ( -7.165 5.387 -0.149) 8.965 3.505 ( 5.723 4.438 5.096) 8.855 3.819 ( 2.185 1.737 10.666) 11.025 3.972 ( 4.486 -5.464 7.645) 10.413 4.131 ( 8.578 8.074 7.735) 14.093 4.164 ( 8.417 5.397 9.643) 13.891 4.445 ( -3.426 1.637 -6.368) 7.414 4.607 ( -2.891 2.592 3.679) 5.348 4.869 ( -1.498 -0.948 -2.135) 2.775 5.081 ( 6.621 0.997 0.663) 6.728 5.373 ( -2.423 0.357 -6.454) 6.903 5.549 ( 5.169 0.495 -10.020) 11.286 5.676 ( 3.045 -3.875 0.605) 4.965 5.763 ( 0.758 -4.521 -4.440) 6.381 5.971 ( -10.668 -5.400 0.755) 11.980 6.246 ( -3.509 5.351 8.162) 10.371 6.844 ( -5.820 1.501 -4.908) 7.760 6.856 ( -0.723 2.570 -3.275) 4.225 7.229 ( -4.679 0.206 -5.428) 7.169 7.445 ( 5.549 -1.320 -0.003) 5.704 12.763 ( 0.686 0.944 0.954) 1.507 12.839 ( 1.107 0.038 -0.859) 1.402 13.496 ( 1.291 -1.174 1.318) 2.187 13.802 ( -1.067 -0.173 -0.864) 1.384 17.409 ( -0.372 0.157 -0.939) 1.022 17.646 ( -2.980 0.402 -1.392) 3.314 17.767 ( 0.461 -3.111 2.918) 4.290 17.891 ( 0.053 -1.331 -1.321) 1.876 18.450 ( 0.972 1.232 -0.507) 1.649 18.646 ( 1.565 0.415 0.433) 1.676 28.212 ( -0.752 -0.117 -0.036) 0.762 28.252 ( 0.843 0.162 0.258) 0.896 31.553 ( 4.984 0.247 -0.175) 4.993 31.810 ( -5.429 -0.147 -1.496) 5.633 32.204 ( -5.194 -9.196 0.313) 10.566 32.492 ( 1.907 9.524 2.411) 10.007 32.716 ( 13.654 5.674 2.675) 15.026 34.333 ( -6.945 -4.300 -4.406) 9.281 ======================= Grid point 155 (62/216) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 10.503 -7.753 -0.287) 13.058 2.242 ( 9.751 -7.127 -8.750) 14.914 2.881 ( -7.978 6.918 -4.060) 11.313 3.008 ( -4.290 4.921 9.550) 11.568 3.342 ( -2.543 3.595 5.309) 6.898 3.455 ( 7.984 4.350 0.797) 9.127 3.792 ( 5.328 -5.571 9.839) 12.500 3.925 ( 7.615 2.394 6.834) 10.508 4.068 ( 8.820 8.555 1.858) 12.427 4.229 ( 6.881 5.333 15.289) 17.594 4.404 ( 2.007 2.267 -10.745) 11.163 4.630 ( 3.029 -6.109 -0.878) 6.875 4.788 ( 5.318 3.087 -8.728) 10.676 5.041 ( -1.115 -3.404 0.564) 3.626 5.186 ( 11.045 -3.546 -18.324) 21.687 5.413 ( 5.077 -6.965 -0.965) 8.673 5.609 ( -8.587 -0.884 2.755) 9.061 5.839 ( -7.731 -1.209 -1.057) 7.896 6.083 ( -8.785 -4.596 0.851) 9.951 6.373 ( 5.162 8.331 3.731) 10.487 6.895 ( -5.622 0.906 5.384) 7.837 6.960 ( -8.341 0.155 -1.631) 8.500 7.255 ( -4.504 -0.190 -7.590) 8.827 7.425 ( 0.336 2.977 4.984) 5.815 12.765 ( 0.747 0.675 0.533) 1.140 12.831 ( -0.334 0.307 -0.180) 0.488 13.461 ( 1.846 -1.381 -0.316) 2.327 13.831 ( -2.087 1.178 0.402) 2.430 17.409 ( -0.195 0.041 -0.684) 0.713 17.684 ( -2.168 0.904 -0.912) 2.520 17.750 ( 0.920 -1.911 1.819) 2.794 17.874 ( -1.048 -2.299 -0.957) 2.702 18.441 ( 0.739 0.196 -0.280) 0.815 18.619 ( 2.014 -0.157 -0.132) 2.025 28.225 ( -0.777 0.119 0.000) 0.786 28.238 ( 1.100 -0.033 0.055) 1.102 31.498 ( 2.405 0.742 -0.187) 2.523 31.906 ( -6.617 2.050 -0.740) 6.967 32.200 ( -7.436 -13.377 0.203) 15.306 32.475 ( 12.815 1.504 6.320) 14.367 32.649 ( 6.554 17.228 -3.315) 18.728 34.369 ( -7.073 -6.218 -1.921) 9.612 ======================= Grid point 156 (63/216) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 16.677 -5.693 -3.177) 17.906 1.967 ( 8.846 -11.241 -4.779) 15.081 3.012 ( -6.178 2.108 -2.135) 6.868 3.172 ( -5.410 0.645 3.150) 6.294 3.340 ( 14.413 7.798 7.345) 17.959 3.391 ( 8.036 5.636 3.906) 10.564 3.739 ( 9.115 -0.853 2.321) 9.445 3.871 ( 3.033 1.422 -0.402) 3.373 4.071 ( 2.794 3.479 3.496) 5.669 4.117 ( 10.984 5.283 -2.502) 12.443 4.348 ( 16.787 -12.141 -3.505) 21.011 4.448 ( -1.044 4.319 7.574) 8.781 4.645 ( 8.197 2.325 -12.365) 15.016 4.887 ( 3.831 -3.550 -8.843) 10.270 5.093 ( -6.466 -2.566 1.116) 7.046 5.257 ( 0.566 -13.826 -0.418) 13.844 5.841 ( -13.074 1.921 4.293) 13.895 5.922 ( -5.570 -1.220 -1.618) 5.927 6.169 ( -5.547 -2.278 1.272) 6.130 6.299 ( 11.857 6.008 -1.628) 13.392 7.072 ( -5.181 -0.951 13.752) 14.727 7.083 ( -9.964 0.506 -3.344) 10.523 7.256 ( -4.792 0.095 -10.219) 11.287 7.551 ( -4.897 6.541 5.148) 9.658 12.763 ( 0.806 0.688 0.411) 1.137 12.849 ( -1.532 0.310 0.075) 1.565 13.418 ( 1.786 -0.922 -0.574) 2.090 13.886 ( -2.605 1.711 0.492) 3.155 17.403 ( 0.127 -0.380 -0.521) 0.658 17.715 ( -0.905 1.068 -0.044) 1.401 17.731 ( 1.079 -0.416 0.321) 1.200 17.867 ( -2.044 -3.283 -0.436) 3.892 18.423 ( 0.986 -1.020 -0.075) 1.421 18.584 ( 1.712 -0.366 -0.412) 1.798 28.222 ( 0.711 -0.145 -0.020) 0.726 28.235 ( -0.234 0.214 -0.013) 0.317 31.484 ( 0.941 1.462 -0.123) 1.744 32.031 ( -6.169 2.754 0.516) 6.776 32.167 ( -3.245 -15.297 0.194) 15.638 32.322 ( 10.176 3.327 1.972) 10.887 32.708 ( 4.363 16.014 -1.751) 16.690 34.408 ( -6.730 -6.975 -0.227) 9.696 ======================= Grid point 157 (64/216) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 19.347 -6.110 0.000) 20.289 1.670 ( 14.500 -10.612 0.000) 17.968 3.055 ( 4.957 -1.629 0.000) 5.218 3.139 ( 11.293 1.204 0.000) 11.357 3.162 ( 21.398 7.444 -0.000) 22.655 3.435 ( -4.782 3.495 -0.000) 5.923 3.493 ( 15.800 0.944 0.000) 15.828 3.744 ( 9.903 -13.002 0.000) 16.343 3.884 ( 13.064 -13.908 0.000) 19.081 4.103 ( 1.276 3.897 -0.000) 4.101 4.169 ( 5.556 19.041 -0.000) 19.835 4.441 ( 0.495 3.594 -0.000) 3.628 4.650 ( -8.480 1.518 -0.000) 8.615 4.817 ( 0.351 -1.224 0.000) 1.274 5.130 ( -4.883 -20.056 0.000) 20.642 5.202 ( -6.915 0.299 -0.000) 6.922 5.953 ( -1.878 -1.653 0.000) 2.502 6.066 ( -10.079 1.586 -0.000) 10.203 6.130 ( 12.899 2.689 0.000) 13.176 6.242 ( -4.015 0.053 -0.000) 4.015 7.181 ( -1.872 -0.161 -0.000) 1.879 7.220 ( -8.595 -0.097 -0.000) 8.595 7.302 ( -6.938 0.428 -0.000) 6.951 7.729 ( -6.527 6.944 -0.000) 9.529 12.758 ( 0.950 0.719 -0.000) 1.191 12.882 ( -2.348 0.233 -0.000) 2.360 13.384 ( 1.431 -0.290 0.000) 1.460 13.946 ( -2.771 1.663 -0.000) 3.232 17.392 ( 0.317 -0.613 0.000) 0.690 17.706 ( 1.508 -0.139 0.000) 1.515 17.740 ( -0.125 2.286 -0.000) 2.290 17.868 ( -2.739 -4.010 0.000) 4.856 18.387 ( 1.737 -2.368 0.000) 2.936 18.557 ( 0.992 -0.379 0.000) 1.062 28.216 ( -0.146 -0.134 0.000) 0.198 28.234 ( 0.577 0.179 0.000) 0.604 31.487 ( 0.535 1.562 -0.000) 1.651 31.994 ( 9.660 -6.788 0.000) 11.806 32.136 ( -3.261 2.188 -0.000) 3.927 32.293 ( -3.395 -3.036 0.000) 4.555 32.788 ( 1.191 12.395 -0.000) 12.452 34.441 ( -5.483 -6.327 0.000) 8.372 ======================= Grid point 160 (65/216) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 19.809 0.000 12.736) 23.550 1.625 ( 20.273 0.000 26.408) 33.292 2.049 ( 20.270 0.000 27.868) 34.461 2.485 ( 18.015 -0.000 -3.958) 18.445 2.833 ( 20.489 -0.000 -2.563) 20.649 3.166 ( 5.085 0.000 11.797) 12.846 3.479 ( -2.823 0.000 5.042) 5.779 3.609 ( 0.559 -0.000 -17.478) 17.487 3.851 ( 6.957 0.000 18.084) 19.376 4.181 ( -14.370 0.000 18.918) 23.757 4.690 ( -1.958 -0.000 -6.103) 6.410 4.764 ( -9.470 0.000 2.200) 9.722 4.818 ( -2.731 0.000 9.167) 9.565 4.827 ( -2.706 -0.000 -2.236) 3.511 5.199 ( -9.298 0.000 5.590) 10.849 5.314 ( 0.313 -0.000 -0.736) 0.800 5.779 ( 14.176 -0.000 3.255) 14.545 5.864 ( 14.214 -0.000 -11.742) 18.437 6.049 ( -3.831 -0.000 -3.086) 4.920 6.284 ( 1.511 -0.000 -0.636) 1.639 6.880 ( 11.449 -0.000 -12.359) 16.847 6.945 ( -3.761 -0.000 -15.257) 15.714 7.351 ( 1.895 -0.000 -9.912) 10.092 8.280 ( -22.198 0.000 -5.052) 22.766 12.708 ( -0.509 0.000 0.530) 0.735 12.949 ( -2.303 -0.000 -1.032) 2.524 13.421 ( 0.236 0.000 4.422) 4.428 13.998 ( -1.833 -0.000 -2.921) 3.448 17.461 ( -1.453 0.000 1.862) 2.362 17.626 ( 0.677 -0.000 -2.072) 2.180 17.840 ( 0.121 0.000 2.218) 2.221 17.909 ( -2.200 0.000 0.477) 2.251 18.288 ( 2.914 0.000 2.345) 3.741 18.573 ( 0.531 0.000 0.561) 0.773 28.209 ( 1.034 0.000 0.439) 1.123 28.243 ( -1.051 0.000 0.084) 1.055 31.544 ( -1.183 0.000 3.038) 3.261 31.855 ( -7.592 0.000 7.594) 10.738 32.150 ( 1.508 0.000 0.855) 1.733 32.348 ( -4.619 -0.000 -3.461) 5.772 33.080 ( -2.150 0.000 6.605) 6.946 34.238 ( 7.982 -0.000 -11.976) 14.392 ======================= Grid point 162 (66/216) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 12.171 21.401) 24.620 1.324 ( -0.000 26.747 19.523) 33.114 2.285 ( -0.000 19.074 -5.376) 19.817 2.462 ( -0.000 7.473 -5.064) 9.028 2.823 ( 0.000 7.959 51.704) 52.313 3.310 ( 0.000 1.146 10.461) 10.524 3.368 ( -0.000 -1.478 -14.550) 14.624 3.579 ( -0.000 3.831 -6.947) 7.933 4.045 ( 0.000 3.710 31.094) 31.315 4.650 ( 0.000 -7.001 -3.975) 8.051 4.714 ( 0.000 -8.442 2.516) 8.809 4.721 ( 0.000 -13.900 12.939) 18.990 5.019 ( 0.000 -4.690 8.874) 10.037 5.173 ( 0.000 -2.582 2.756) 3.776 5.182 ( -0.000 10.587 6.145) 12.241 5.344 ( -0.000 -2.053 -2.427) 3.179 5.417 ( -0.000 10.884 0.080) 10.885 5.581 ( -0.000 7.974 0.378) 7.983 6.163 ( -0.000 5.124 -0.102) 5.125 6.241 ( -0.000 1.537 -0.760) 1.714 6.657 ( -0.000 1.863 -5.124) 5.452 6.769 ( -0.000 0.556 -18.310) 18.318 7.082 ( -0.000 0.831 -15.629) 15.651 8.336 ( -0.000 -7.017 -23.568) 24.590 12.787 ( 0.000 0.040 2.717) 2.717 12.967 ( -0.000 -0.303 -1.509) 1.539 13.482 ( 0.000 -1.729 6.298) 6.531 13.950 ( -0.000 -2.352 -4.284) 4.887 17.472 ( 0.000 -2.142 -0.767) 2.275 17.543 ( 0.000 -3.448 -1.387) 3.716 17.822 ( 0.000 -2.112 4.018) 4.539 17.950 ( -0.000 0.785 -0.742) 1.080 18.386 ( -0.000 8.157 0.242) 8.160 18.547 ( -0.000 1.231 -0.917) 1.535 28.201 ( 0.000 -0.068 0.926) 0.928 28.259 ( -0.000 -0.127 -0.302) 0.327 31.690 ( -0.000 5.265 5.845) 7.866 31.980 ( 0.000 -15.100 6.658) 16.503 32.226 ( -0.000 3.101 -5.665) 6.458 32.386 ( -0.000 -3.026 -5.125) 5.952 33.203 ( 0.000 -0.481 7.928) 7.943 33.906 ( -0.000 9.174 -10.010) 13.579 ======================= Grid point 163 (67/216) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.455 18.662 16.872) 25.395 1.868 ( -15.510 19.352 18.447) 30.909 2.346 ( 2.601 13.087 -4.105) 13.960 2.748 ( -19.772 18.297 -4.084) 27.247 3.184 ( 3.831 -1.350 11.664) 12.351 3.274 ( 0.146 7.020 15.014) 16.575 3.345 ( 0.146 -0.544 -3.568) 3.612 3.593 ( 1.147 5.621 5.787) 8.149 4.329 ( -1.501 0.388 20.668) 20.726 4.546 ( 8.001 -6.627 4.597) 11.360 4.592 ( -1.409 -8.028 2.666) 8.576 4.649 ( 2.079 -9.038 12.338) 15.435 4.911 ( 12.339 -1.394 7.627) 14.573 5.244 ( -1.710 -1.904 -2.234) 3.397 5.300 ( 0.280 1.007 3.093) 3.265 5.392 ( -8.819 1.410 1.720) 9.096 5.516 ( -4.048 5.655 -2.217) 7.299 5.679 ( -2.972 4.994 0.044) 5.811 6.150 ( 4.750 2.880 -0.121) 5.556 6.274 ( 0.332 2.862 -2.059) 3.541 6.649 ( -1.408 1.026 -13.385) 13.498 6.657 ( -2.712 3.252 -8.865) 9.824 7.021 ( -3.329 1.837 -10.784) 11.435 8.041 ( 6.811 -5.945 -22.131) 23.907 12.792 ( 1.877 0.391 2.794) 3.388 12.941 ( 1.358 -0.362 -1.706) 2.210 13.514 ( -0.007 -1.465 6.332) 6.500 13.887 ( 0.558 -2.880 -4.662) 5.508 17.437 ( 0.622 -2.376 -0.679) 2.548 17.528 ( -2.641 -2.257 -1.654) 3.848 17.835 ( -0.207 -2.360 3.978) 4.630 17.945 ( 0.713 0.539 -0.822) 1.214 18.440 ( 1.505 5.494 0.261) 5.702 18.574 ( -2.050 2.429 -1.070) 3.353 28.209 ( -0.156 -0.210 0.748) 0.792 28.253 ( 0.131 -0.010 -0.196) 0.236 31.765 ( 3.439 5.161 6.000) 8.629 31.877 ( 2.171 -11.082 5.278) 12.465 32.200 ( 1.791 3.763 -3.727) 5.592 32.316 ( -1.653 -3.817 -6.526) 7.739 33.193 ( 8.148 -0.826 8.991) 12.162 33.986 ( -9.192 5.883 -10.683) 15.272 ======================= Grid point 164 (68/216) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -4.654 19.564 11.511) 23.171 2.317 ( -5.854 10.941 13.597) 18.408 2.479 ( -11.284 6.737 0.072) 13.142 3.008 ( 2.745 -3.926 -8.606) 9.850 3.167 ( 0.720 -2.143 -5.026) 5.511 3.318 ( -15.965 18.648 -5.083) 25.069 3.552 ( 3.288 8.336 21.572) 23.359 3.735 ( -4.036 6.843 11.266) 13.785 4.290 ( 5.788 -7.163 2.208) 9.470 4.415 ( 8.446 -2.418 4.660) 9.945 4.531 ( 1.054 -4.795 4.881) 6.923 4.704 ( 9.234 -3.049 13.218) 16.410 4.937 ( -1.216 1.891 16.089) 16.245 5.169 ( 3.712 3.188 2.060) 5.309 5.314 ( -1.230 -2.044 -2.198) 3.244 5.465 ( 0.380 0.865 -5.291) 5.374 5.641 ( -9.918 -0.089 -0.910) 9.961 5.747 ( -4.435 1.019 -3.552) 5.773 6.069 ( 6.687 0.353 -2.474) 7.139 6.221 ( 5.129 1.307 -2.984) 6.076 6.645 ( -6.424 0.427 -6.423) 9.094 6.685 ( -3.705 5.056 -9.977) 11.783 7.060 ( -4.906 2.174 -2.066) 5.750 7.733 ( 7.292 -4.230 -16.544) 18.568 12.786 ( 2.023 0.755 2.485) 3.292 12.897 ( 2.096 -0.240 -1.835) 2.796 13.544 ( 0.364 -1.349 5.506) 5.681 13.819 ( 0.373 -2.388 -4.366) 4.990 17.408 ( 0.078 -1.378 -0.856) 1.624 17.548 ( -3.515 -1.355 -1.559) 4.077 17.839 ( 0.104 -2.986 3.519) 4.616 17.926 ( 1.035 -0.200 -1.122) 1.540 18.453 ( 1.658 2.909 -0.058) 3.349 18.624 ( -1.451 2.799 -0.338) 3.171 28.209 ( 0.075 -0.508 0.162) 0.539 28.256 ( -0.116 0.364 0.234) 0.448 31.744 ( 6.157 0.066 3.944) 7.312 31.799 ( 2.544 -4.030 0.857) 4.842 32.201 ( -1.350 -0.450 -0.339) 1.463 32.298 ( -3.061 2.662 -4.740) 6.239 33.092 ( 11.326 -0.816 7.640) 13.686 34.104 ( -9.648 2.344 -8.369) 12.986 ======================= Grid point 165 (69/216) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -0.984 17.560 7.196) 19.003 2.492 ( -2.497 -1.033 7.321) 7.804 2.690 ( -6.192 -3.752 -1.696) 7.436 2.864 ( 1.986 0.669 -5.896) 6.257 3.046 ( 1.744 3.687 -3.482) 5.362 3.602 ( 4.185 3.738 6.704) 8.742 3.798 ( -9.794 12.813 10.078) 19.017 3.996 ( -13.491 7.828 4.255) 16.167 4.144 ( 5.888 -6.343 0.742) 8.687 4.298 ( 9.584 4.098 0.561) 10.439 4.531 ( 7.293 -1.563 12.731) 14.755 4.652 ( 5.349 1.182 9.531) 10.993 4.894 ( 6.063 -1.642 -1.836) 6.544 5.183 ( 8.247 3.965 0.721) 9.179 5.307 ( -0.463 -1.318 -5.755) 5.922 5.460 ( -6.446 -0.156 -4.514) 7.870 5.708 ( 1.383 0.104 -2.783) 3.110 5.806 ( -7.460 -3.523 -2.041) 8.499 5.928 ( 5.089 -4.389 -1.091) 6.808 6.207 ( -2.004 3.935 5.552) 7.094 6.710 ( -2.739 4.371 -7.264) 8.909 6.724 ( -8.318 1.372 -7.297) 11.149 7.151 ( -3.646 -0.028 3.280) 4.904 7.515 ( 4.516 -2.160 -8.595) 9.947 12.781 ( 1.526 0.783 1.752) 2.452 12.852 ( 1.804 0.105 -1.537) 2.372 13.549 ( 1.442 -1.988 3.042) 3.910 13.780 ( -0.759 -0.701 -2.433) 2.644 17.396 ( -0.315 -0.301 -0.756) 0.873 17.586 ( -3.610 -0.501 -1.118) 3.812 17.828 ( 0.565 -3.332 2.943) 4.481 17.897 ( 0.625 -0.962 -1.471) 1.865 18.450 ( 1.218 1.669 -0.288) 2.086 18.655 ( 0.329 1.782 0.146) 1.818 28.206 ( -0.310 -0.407 -0.028) 0.512 28.261 ( 0.338 0.394 0.239) 0.572 31.649 ( 7.673 0.461 0.156) 7.688 31.759 ( -1.741 -2.873 0.077) 3.360 32.207 ( -5.279 -8.751 -0.116) 10.221 32.387 ( -0.248 13.330 -0.954) 13.367 32.945 ( 13.152 -0.159 5.026) 14.081 34.202 ( -8.765 -1.130 -5.026) 10.167 ======================= Grid point 166 (70/216) ======================= q-point: ( 0.73 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 5.635 -5.714 3.343) 8.694 2.445 ( 13.898 -4.854 -2.239) 14.890 2.659 ( -8.758 4.597 -3.051) 10.351 2.937 ( -2.374 9.282 2.163) 9.822 3.187 ( -10.688 5.697 0.233) 12.114 3.559 ( 7.321 1.564 1.878) 7.719 4.000 ( 6.474 -4.321 2.720) 8.245 4.041 ( -0.259 3.848 14.121) 14.638 4.163 ( 10.015 7.739 0.654) 12.674 4.284 ( -4.465 5.399 -10.639) 12.739 4.476 ( 10.925 0.676 17.495) 20.637 4.666 ( 0.593 0.852 3.983) 4.116 4.761 ( 4.159 0.432 -9.366) 10.258 5.072 ( 4.997 -0.166 -6.085) 7.876 5.235 ( 6.451 2.490 -5.070) 8.574 5.445 ( -1.964 -2.413 -3.226) 4.482 5.679 ( 7.446 -6.426 0.091) 9.835 5.732 ( -5.955 -2.646 -1.048) 6.600 5.979 ( -10.905 -5.427 0.331) 12.186 6.365 ( -0.564 8.390 5.637) 10.123 6.770 ( -5.881 3.023 -0.797) 6.660 6.831 ( -9.456 2.042 -3.890) 10.427 7.188 ( -1.568 -3.336 -0.379) 3.705 7.433 ( 1.053 0.978 -0.994) 1.748 12.777 ( 1.110 0.627 0.643) 1.428 12.827 ( 0.670 0.446 -0.565) 0.984 13.511 ( 2.170 -2.285 0.560) 3.200 13.792 ( -1.776 0.812 -0.368) 1.988 17.398 ( -0.393 0.248 -0.398) 0.611 17.632 ( -3.145 0.283 -0.541) 3.204 17.802 ( 1.170 -2.899 1.544) 3.487 17.873 ( -0.515 -1.782 -0.912) 2.067 18.444 ( 0.753 0.898 -0.191) 1.187 18.649 ( 1.843 0.618 0.085) 1.945 28.212 ( -0.777 -0.110 -0.013) 0.785 28.254 ( 0.971 0.211 0.081) 0.996 31.549 ( 5.094 0.339 -0.201) 5.109 31.797 ( -4.739 0.291 -0.386) 4.764 32.205 ( -7.119 -12.143 -0.022) 14.076 32.510 ( 2.717 16.893 0.425) 17.115 32.756 ( 14.810 0.733 1.924) 14.953 34.283 ( -8.341 -4.206 -1.959) 9.545 ======================= Grid point 167 (71/216) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 17.137 -6.090 0.000) 18.187 2.156 ( 4.974 -11.551 0.000) 12.576 2.852 ( -7.237 8.029 -0.000) 10.809 3.075 ( -4.726 5.452 -0.000) 7.216 3.384 ( -6.555 4.034 -0.000) 7.697 3.460 ( 8.888 4.035 -0.000) 9.761 3.890 ( 5.070 -0.721 0.000) 5.121 4.000 ( 17.800 5.758 0.000) 18.708 4.139 ( 1.906 -2.028 0.000) 2.783 4.173 ( 9.837 7.108 -0.000) 12.137 4.466 ( 2.012 1.511 -0.000) 2.517 4.646 ( 6.656 -7.302 0.000) 9.880 4.663 ( 5.629 5.993 -0.000) 8.222 4.950 ( 4.839 -2.780 0.000) 5.581 5.106 ( 4.049 -3.783 0.000) 5.541 5.406 ( 4.606 -7.688 0.000) 8.962 5.634 ( -10.774 -0.374 -0.000) 10.780 5.827 ( -7.693 -1.525 -0.000) 7.843 6.090 ( -8.917 -4.388 0.000) 9.938 6.394 ( 8.694 8.725 -0.000) 12.317 6.913 ( -9.594 0.696 -0.000) 9.619 7.011 ( -10.531 2.766 -0.000) 10.889 7.162 ( -1.399 -3.674 0.000) 3.932 7.465 ( -1.945 4.040 -0.000) 4.484 12.770 ( 0.808 0.658 -0.000) 1.042 12.829 ( -0.523 0.437 -0.000) 0.681 13.459 ( 2.138 -1.735 0.000) 2.754 13.834 ( -2.280 1.479 -0.000) 2.718 17.403 ( -0.150 0.070 -0.000) 0.166 17.677 ( -2.229 0.905 -0.000) 2.405 17.765 ( 1.348 -1.807 0.000) 2.255 17.865 ( -1.453 -2.659 0.000) 3.030 18.439 ( 0.593 0.065 0.000) 0.597 18.618 ( 2.308 -0.086 0.000) 2.310 28.225 ( -0.771 0.138 -0.000) 0.784 28.238 ( 1.164 -0.016 0.000) 1.164 31.497 ( 2.525 1.043 -0.000) 2.732 31.899 ( -6.805 2.335 -0.000) 7.194 32.201 ( -8.184 -14.505 0.000) 16.654 32.532 ( 16.072 1.851 0.000) 16.178 32.617 ( 4.637 17.664 -0.000) 18.263 34.354 ( -7.908 -6.266 0.000) 10.089 ======================= Grid point 171 (72/216) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 16.541 -4.326 10.251) 19.935 2.050 ( 9.155 -2.148 24.779) 26.504 2.432 ( 13.399 -2.511 6.615) 15.152 2.918 ( 30.951 -0.339 7.439) 31.834 3.152 ( 15.293 -6.701 -1.395) 16.755 3.291 ( -6.119 3.894 -1.734) 7.457 3.374 ( -2.401 -4.952 0.163) 5.506 3.525 ( 7.674 -0.600 -9.552) 12.267 4.084 ( -13.708 0.255 16.509) 21.460 4.173 ( 7.121 -0.797 18.934) 20.245 4.484 ( -7.717 13.300 -0.991) 15.409 4.639 ( -3.451 3.281 1.896) 5.125 4.789 ( 5.294 2.325 3.491) 6.754 4.925 ( -7.565 -13.376 -2.596) 15.584 5.150 ( -1.352 -0.371 10.165) 10.261 5.325 ( -3.965 -5.978 0.829) 7.221 5.874 ( -1.300 1.391 -10.471) 10.643 5.973 ( 7.355 3.376 1.848) 8.301 6.035 ( 3.671 -3.152 1.610) 5.099 6.272 ( -1.022 1.224 -3.900) 4.213 6.792 ( -1.974 -0.362 -9.817) 10.020 6.951 ( 9.616 -1.126 -15.018) 17.868 7.327 ( 3.761 0.113 -8.450) 9.250 7.897 ( -19.440 3.032 -5.742) 20.496 12.711 ( 0.369 -0.265 0.257) 0.522 12.902 ( -2.488 0.102 -1.226) 2.775 13.456 ( 0.333 0.500 4.690) 4.728 13.937 ( -2.326 0.883 -3.368) 4.188 17.450 ( -0.786 0.969 1.193) 1.727 17.621 ( 0.602 -0.920 -2.561) 2.787 17.843 ( -0.242 2.248 2.816) 3.611 17.893 ( -1.672 -1.530 0.486) 2.317 18.358 ( 2.329 -1.673 1.939) 3.461 18.586 ( 0.138 -0.755 0.420) 0.875 28.223 ( 0.313 0.451 0.136) 0.565 28.232 ( -0.313 -0.474 0.308) 0.646 31.545 ( -2.217 -1.015 2.532) 3.515 31.830 ( 0.181 0.244 0.647) 0.715 32.155 ( -0.307 1.651 -0.781) 1.852 32.269 ( -5.053 -4.919 -2.543) 7.496 33.078 ( -0.380 8.725 9.411) 12.839 34.268 ( 3.343 -5.029 -9.410) 11.181 ======================= Grid point 172 (73/216) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 15.069 0.000 15.352) 21.511 1.855 ( 25.746 0.000 8.945) 27.256 2.349 ( 15.287 -0.000 3.138) 15.606 2.731 ( 4.694 0.000 40.953) 41.221 2.788 ( 21.536 -0.000 -3.616) 21.838 3.364 ( 2.345 0.000 12.586) 12.803 3.374 ( 1.557 -0.000 -11.978) 12.079 3.426 ( -7.757 -0.000 -8.076) 11.198 4.214 ( 7.796 0.000 24.787) 25.984 4.489 ( -17.754 0.000 21.228) 27.674 4.622 ( -0.851 -0.000 -1.898) 2.080 4.748 ( -12.383 0.000 -1.422) 12.465 4.799 ( -1.341 -0.000 -0.729) 1.526 4.938 ( -3.443 0.000 5.124) 6.173 5.287 ( -5.789 0.000 5.263) 7.824 5.298 ( 0.903 -0.000 -1.209) 1.509 5.703 ( 14.000 -0.000 -8.591) 16.425 5.834 ( 13.593 -0.000 2.900) 13.899 6.044 ( -3.439 0.000 0.908) 3.557 6.258 ( 0.117 -0.000 -3.483) 3.485 6.718 ( 5.810 -0.000 -10.456) 11.962 6.735 ( -0.496 -0.000 -10.895) 10.906 7.171 ( 5.239 -0.000 -13.585) 14.560 8.111 ( -15.746 -0.000 -16.658) 22.922 12.730 ( -1.823 0.000 2.329) 2.957 12.930 ( -2.275 -0.000 -1.631) 2.799 13.498 ( -0.197 0.000 5.922) 5.925 13.945 ( -1.695 -0.000 -4.224) 4.552 17.477 ( -0.841 0.000 0.653) 1.064 17.592 ( 0.230 -0.000 -2.473) 2.484 17.867 ( 0.652 0.000 1.510) 1.645 17.914 ( -1.415 0.000 0.178) 1.426 18.330 ( 2.305 0.000 3.352) 4.068 18.569 ( 1.171 -0.000 -1.081) 1.594 28.216 ( 0.762 0.000 0.560) 0.946 28.244 ( -0.858 0.000 0.007) 0.858 31.599 ( -2.319 0.000 4.428) 4.999 31.924 ( -9.392 0.000 1.739) 9.552 32.166 ( 0.263 0.000 1.193) 1.221 32.296 ( -4.660 -0.000 -3.230) 5.670 33.197 ( -0.349 0.000 9.150) 9.157 34.060 ( 9.186 -0.000 -12.105) 15.196 ======================= Grid point 174 (74/216) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.000 25.549 18.125) 31.325 1.608 ( 0.000 11.154 18.695) 21.770 2.213 ( -0.000 21.352 -4.711) 21.865 2.356 ( -0.000 8.262 -9.053) 12.256 3.195 ( -0.000 -2.809 -8.416) 8.873 3.314 ( -0.000 -4.450 -9.080) 10.112 3.507 ( 0.000 2.791 38.195) 38.297 3.611 ( 0.000 4.909 11.573) 12.571 4.506 ( 0.000 -0.903 27.200) 27.215 4.576 ( -0.000 -3.111 -3.524) 4.701 4.788 ( 0.000 -10.218 7.143) 12.467 4.816 ( 0.000 -9.876 5.455) 11.283 5.164 ( 0.000 -6.180 6.435) 8.922 5.228 ( 0.000 -0.089 4.470) 4.471 5.233 ( -0.000 9.533 1.091) 9.595 5.312 ( -0.000 -1.452 -2.136) 2.582 5.421 ( -0.000 9.908 -1.285) 9.991 5.609 ( -0.000 1.934 0.628) 2.033 6.170 ( -0.000 3.967 0.862) 4.060 6.226 ( -0.000 2.075 -1.197) 2.396 6.506 ( -0.000 1.039 -15.433) 15.468 6.564 ( -0.000 1.453 -7.412) 7.553 6.923 ( -0.000 1.941 -2.635) 3.273 7.931 ( -0.000 -2.526 -30.364) 30.468 12.829 ( 0.000 0.029 2.856) 2.856 12.941 ( -0.000 -0.189 -2.005) 2.014 13.582 ( 0.000 -1.970 7.092) 7.361 13.877 ( -0.000 -2.174 -5.502) 5.916 17.466 ( 0.000 -2.502 0.037) 2.502 17.518 ( 0.000 -3.099 -1.782) 3.575 17.869 ( 0.000 -0.152 2.492) 2.496 17.937 ( -0.000 0.976 -0.986) 1.387 18.407 ( -0.000 5.225 2.341) 5.726 18.526 ( -0.000 1.514 -1.902) 2.431 28.216 ( 0.000 -0.079 1.006) 1.009 28.253 ( -0.000 -0.118 -0.531) 0.544 31.785 ( 0.000 5.291 7.026) 8.795 32.071 ( 0.000 -12.710 5.829) 13.983 32.129 ( -0.000 4.375 -7.386) 8.585 32.311 ( 0.000 -6.303 -5.100) 8.108 33.330 ( 0.000 1.158 9.126) 9.199 33.761 ( -0.000 6.425 -9.773) 11.696 ======================= Grid point 175 (75/216) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.139 17.631 13.323) 22.099 2.121 ( -13.299 21.215 14.895) 29.135 2.281 ( 0.922 13.874 -4.533) 14.625 2.670 ( -21.108 22.146 -6.068) 31.190 3.072 ( 2.821 -6.563 -7.585) 10.419 3.212 ( -0.392 -3.583 -7.982) 8.758 3.718 ( 2.438 1.812 15.766) 16.056 3.747 ( -0.658 3.713 16.161) 16.595 4.457 ( 6.571 -5.283 2.149) 8.701 4.555 ( 3.647 -6.708 -0.890) 7.687 4.718 ( 5.805 -6.459 13.635) 16.166 4.961 ( 0.429 -2.280 20.479) 20.610 4.996 ( 5.201 1.006 7.560) 9.231 5.223 ( 3.314 1.187 -0.831) 3.617 5.345 ( -1.445 -3.853 1.778) 4.483 5.386 ( -2.493 3.565 -5.990) 7.403 5.471 ( -7.534 3.427 -2.435) 8.628 5.626 ( -3.119 2.797 -6.811) 7.997 6.149 ( 5.950 2.446 0.301) 6.440 6.239 ( 1.938 2.775 -2.907) 4.462 6.472 ( -4.980 1.246 -9.143) 10.486 6.540 ( -2.432 2.749 -7.423) 8.281 6.999 ( -3.163 2.628 9.617) 10.460 7.671 ( 2.169 -1.734 -26.836) 26.979 12.834 ( 1.851 0.167 2.848) 3.400 12.913 ( 1.427 -0.160 -2.187) 2.616 13.613 ( 0.379 -2.087 6.776) 7.100 13.810 ( 0.296 -2.475 -5.695) 6.217 17.430 ( 0.905 -2.690 -0.208) 2.846 17.506 ( -2.743 -2.299 -1.249) 3.791 17.882 ( 0.229 -0.908 2.391) 2.568 17.933 ( 0.533 0.171 -0.894) 1.054 18.452 ( 1.484 3.457 1.070) 3.912 18.555 ( -2.416 3.324 -1.329) 4.319 28.219 ( 0.301 -0.358 0.592) 0.755 28.250 ( -0.292 0.132 -0.268) 0.418 31.850 ( 5.495 5.075 5.396) 9.223 31.944 ( 5.145 -9.853 3.385) 11.619 32.138 ( -1.199 5.642 -4.052) 7.049 32.233 ( -4.269 -8.260 -4.488) 10.324 33.319 ( 9.659 -0.157 7.506) 12.233 33.843 ( -10.402 5.631 -8.165) 14.373 ======================= Grid point 176 (76/216) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -1.579 19.037 4.617) 19.653 2.446 ( -7.690 10.572 1.638) 13.175 2.543 ( -8.196 12.526 9.593) 17.780 2.844 ( 3.031 -8.288 -10.977) 14.085 3.114 ( 4.073 -2.834 -1.772) 5.268 3.266 ( -24.593 21.851 -1.823) 32.949 3.757 ( 3.327 0.165 6.247) 7.080 3.898 ( -4.049 2.312 7.235) 8.607 4.303 ( 6.690 -6.613 0.319) 9.412 4.412 ( 8.639 0.493 -1.564) 8.793 4.718 ( 4.152 -0.368 14.828) 15.403 4.823 ( 8.787 -1.400 3.629) 9.609 5.061 ( 12.251 0.486 1.389) 12.339 5.223 ( 3.782 4.147 -4.733) 7.342 5.318 ( 0.145 -1.539 -0.359) 1.587 5.354 ( -6.220 -4.270 0.923) 7.601 5.645 ( -10.460 -0.921 1.399) 10.593 5.685 ( -3.718 2.688 -3.227) 5.609 6.057 ( 7.627 -0.192 -0.004) 7.629 6.194 ( 1.399 2.445 -0.310) 2.833 6.506 ( -5.917 3.011 -8.798) 11.022 6.588 ( -4.522 2.814 -3.202) 6.214 7.159 ( -2.766 0.360 12.447) 12.756 7.474 ( 0.348 -0.413 -16.623) 16.632 12.822 ( 2.325 0.264 2.199) 3.211 12.868 ( 2.013 0.161 -1.916) 2.784 13.620 ( 1.522 -2.697 4.064) 5.109 13.755 ( -0.659 -1.223 -3.601) 3.860 17.399 ( 0.241 -1.505 -0.308) 1.555 17.532 ( -3.622 -1.506 -0.623) 3.972 17.881 ( 0.502 -1.590 2.101) 2.682 17.908 ( 0.902 -1.265 -1.263) 2.003 18.454 ( 1.556 1.900 0.068) 2.457 18.619 ( -1.721 3.473 -0.253) 3.885 28.210 ( 0.292 -0.586 0.061) 0.657 28.258 ( -0.277 0.440 0.081) 0.526 31.778 ( 9.252 1.411 0.851) 9.397 31.817 ( 3.074 -6.263 1.087) 7.061 32.201 ( -5.252 -6.816 0.232) 8.608 32.244 ( -2.699 8.903 -2.309) 9.586 33.179 ( 12.178 -0.952 3.391) 12.677 34.010 ( -10.734 2.791 -3.620) 11.666 ======================= Grid point 177 (77/216) ======================= q-point: ( 0.73 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.857 19.071 -0.000) 19.090 2.615 ( -0.790 -17.225 0.000) 17.243 2.625 ( -0.671 -0.493 0.000) 0.832 2.796 ( -2.050 14.235 -0.000) 14.381 3.027 ( 0.057 2.448 -0.000) 2.449 3.649 ( 2.982 3.214 -0.000) 4.384 3.891 ( -18.832 14.813 -0.000) 23.960 4.025 ( -7.043 0.686 -0.000) 7.077 4.147 ( 6.312 -5.335 0.000) 8.265 4.286 ( 10.334 5.401 -0.000) 11.660 4.691 ( 9.254 1.910 0.000) 9.449 4.768 ( 0.929 -0.172 0.000) 0.944 4.831 ( 15.400 -0.623 0.000) 15.412 5.121 ( 5.639 1.190 0.000) 5.763 5.287 ( 5.789 4.085 -0.000) 7.085 5.409 ( -5.133 -5.727 0.000) 7.690 5.692 ( -0.650 -0.572 0.000) 0.866 5.793 ( -6.073 -2.647 0.000) 6.625 5.922 ( 3.458 -5.055 0.000) 6.124 6.281 ( -4.364 5.755 -0.000) 7.222 6.616 ( -8.897 4.241 -0.000) 9.856 6.669 ( -4.537 2.338 -0.000) 5.104 7.216 ( -0.633 -3.163 0.000) 3.226 7.422 ( -0.215 0.751 -0.000) 0.781 12.799 ( 1.938 0.332 0.000) 1.966 12.836 ( 1.499 0.533 -0.000) 1.591 13.574 ( 2.287 -2.994 0.000) 3.767 13.759 ( -1.526 0.224 -0.000) 1.543 17.390 ( -0.282 -0.295 0.000) 0.408 17.577 ( -3.703 -0.591 -0.000) 3.750 17.857 ( 1.273 -3.157 0.000) 3.404 17.879 ( 0.040 -1.123 0.000) 1.124 18.447 ( 1.128 1.353 -0.000) 1.762 18.656 ( 0.305 2.009 -0.000) 2.032 28.205 ( -0.295 -0.417 0.000) 0.511 28.262 ( 0.364 0.416 -0.000) 0.553 31.648 ( 7.934 0.200 0.000) 7.936 31.761 ( -0.945 -2.730 0.000) 2.889 32.206 ( -6.801 -11.157 0.000) 13.066 32.380 ( 0.423 15.936 -0.000) 15.942 32.985 ( 13.439 -0.584 0.000) 13.451 34.162 ( -9.420 -0.964 -0.000) 9.469 ======================= Grid point 183 (78/216) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 12.883 -5.256 8.879) 16.506 2.323 ( 6.264 -3.704 11.022) 13.208 2.706 ( 9.896 -0.596 12.081) 15.628 3.014 ( -11.007 5.104 -10.034) 15.745 3.271 ( -2.356 -5.714 -11.448) 13.010 3.361 ( 20.998 6.615 3.334) 22.266 3.439 ( 3.669 -5.580 9.791) 11.852 3.739 ( 5.152 -3.211 7.769) 9.860 4.048 ( -3.242 -3.590 7.387) 8.829 4.242 ( -1.772 1.653 0.025) 2.423 4.292 ( -1.402 7.850 0.797) 8.014 4.592 ( -1.372 4.776 2.164) 5.420 4.879 ( 0.537 -2.786 2.624) 3.864 4.965 ( 0.285 -4.677 -0.548) 4.718 5.247 ( 1.803 -4.417 6.511) 8.072 5.372 ( 2.747 -5.856 9.753) 11.703 5.740 ( -6.473 -0.889 -6.205) 9.010 6.002 ( -1.841 1.627 -0.210) 2.466 6.104 ( 4.132 1.090 -4.096) 5.920 6.164 ( -3.959 -0.139 -9.318) 10.125 6.797 ( 4.139 0.098 4.575) 6.170 6.967 ( 7.007 -0.362 -17.608) 18.955 7.335 ( 4.538 0.532 -6.370) 7.839 7.567 ( -14.907 3.719 -0.642) 15.378 12.726 ( 0.875 -0.283 0.364) 0.989 12.857 ( -1.881 0.083 -1.230) 2.249 13.489 ( 0.249 0.733 4.356) 4.425 13.866 ( -2.248 0.915 -3.396) 4.174 17.437 ( -0.247 1.162 0.361) 1.242 17.626 ( 0.430 -2.110 -2.308) 3.156 17.834 ( -1.055 2.279 2.789) 3.753 17.888 ( -0.928 -1.209 0.222) 1.540 18.412 ( 1.641 -0.677 1.397) 2.259 18.597 ( -0.195 -1.266 0.048) 1.282 28.220 ( 0.031 0.212 0.117) 0.244 28.238 ( -0.084 -0.295 0.105) 0.324 31.529 ( -2.588 -0.606 1.745) 3.179 31.847 ( 3.288 -0.331 -4.578) 5.646 32.129 ( -1.064 -1.672 -0.923) 2.186 32.234 ( -5.073 -6.272 -1.228) 8.160 33.045 ( 1.731 16.512 10.163) 19.466 34.302 ( 1.152 -7.901 -6.752) 10.457 ======================= Grid point 184 (79/216) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 13.458 -4.173 11.754) 18.349 2.174 ( 12.012 -3.800 -0.994) 12.637 2.697 ( 16.354 2.302 18.292) 24.645 3.101 ( 9.421 -3.062 -3.991) 10.680 3.128 ( 13.520 -2.330 21.438) 25.451 3.205 ( -8.589 1.969 -6.707) 11.074 3.311 ( 6.313 -4.148 -6.776) 10.148 3.567 ( 7.830 -3.629 10.874) 13.883 4.307 ( -6.088 3.033 4.135) 7.960 4.357 ( -14.441 -0.634 13.843) 20.014 4.484 ( -9.779 10.180 2.025) 14.261 4.663 ( -2.285 0.235 0.908) 2.470 4.884 ( -2.813 -5.540 0.596) 6.242 4.906 ( 2.764 -1.068 6.356) 7.013 5.265 ( 0.002 0.224 6.383) 6.387 5.350 ( 0.164 -5.804 2.956) 6.515 5.745 ( 0.238 0.019 -6.485) 6.490 5.973 ( 7.331 1.861 -6.048) 9.684 6.030 ( -0.605 -0.313 -0.543) 0.871 6.180 ( -3.895 0.255 -5.292) 6.576 6.725 ( 6.184 -1.355 -14.486) 15.809 6.752 ( 5.648 -0.057 1.981) 5.986 7.183 ( 7.180 -0.057 -9.212) 11.680 7.772 ( -12.772 1.845 -10.871) 16.874 12.728 ( -0.660 -0.271 1.941) 2.068 12.880 ( -2.334 0.044 -1.853) 2.981 13.534 ( -0.257 0.717 5.785) 5.835 13.879 ( -2.067 0.696 -4.491) 4.993 17.461 ( -0.554 1.851 0.464) 1.987 17.584 ( 0.302 -1.699 -2.419) 2.972 17.878 ( -0.059 1.125 1.756) 2.086 17.899 ( -1.187 -0.319 0.390) 1.290 18.393 ( 1.868 -0.719 2.753) 3.404 18.579 ( 0.533 -1.196 -1.281) 1.832 28.225 ( 0.122 0.575 0.143) 0.605 28.237 ( -0.288 -0.595 0.250) 0.707 31.589 ( -3.546 -0.948 3.419) 5.016 31.824 ( -3.503 0.295 -1.447) 3.801 32.141 ( -1.169 2.468 -1.052) 2.927 32.239 ( -4.338 -5.947 -1.488) 7.510 33.234 ( 1.208 10.644 11.322) 15.587 34.115 ( 5.414 -6.609 -11.085) 13.995 ======================= Grid point 185 (80/216) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 11.360 0.000 15.301) 19.057 1.930 ( 15.320 -0.000 1.213) 15.368 2.393 ( 26.997 -0.000 4.857) 27.430 2.721 ( 24.135 -0.000 -5.606) 24.778 3.202 ( -1.053 -0.000 -8.728) 8.791 3.260 ( -5.842 0.000 -0.015) 5.842 3.387 ( -5.525 0.000 30.193) 30.694 3.588 ( 2.243 0.000 15.085) 15.251 4.406 ( -5.742 0.000 1.014) 5.830 4.666 ( -14.458 0.000 -1.134) 14.502 4.681 ( -2.547 0.000 5.982) 6.502 4.822 ( -14.014 0.000 12.444) 18.741 4.868 ( 5.541 0.000 12.404) 13.585 4.983 ( -7.861 0.000 1.792) 8.063 5.295 ( 3.489 0.000 1.875) 3.960 5.341 ( -3.605 0.000 2.633) 4.464 5.616 ( 10.790 -0.000 -3.407) 11.315 5.801 ( 8.717 -0.000 -8.170) 11.947 6.062 ( -2.888 0.000 1.306) 3.170 6.192 ( -1.751 -0.000 -3.858) 4.237 6.564 ( 1.734 -0.000 -10.034) 10.183 6.638 ( 7.600 -0.000 -6.010) 9.689 7.018 ( 6.818 -0.000 -2.507) 7.264 7.817 ( -7.604 -0.000 -22.299) 23.560 12.771 ( -2.393 0.000 3.113) 3.926 12.901 ( -2.297 -0.000 -2.259) 3.222 13.592 ( -0.616 0.000 6.679) 6.708 13.874 ( -1.502 -0.000 -5.360) 5.566 17.486 ( -0.463 0.000 0.655) 0.803 17.555 ( -0.078 -0.000 -2.399) 2.401 17.886 ( 0.805 0.000 1.035) 1.311 17.914 ( -0.661 -0.000 -0.216) 0.696 18.385 ( 1.769 0.000 3.939) 4.318 18.543 ( 1.356 -0.000 -2.456) 2.806 28.225 ( 0.428 0.000 0.581) 0.722 28.243 ( -0.598 -0.000 -0.153) 0.617 31.673 ( -3.609 0.000 5.527) 6.601 31.912 ( -8.195 -0.000 -3.039) 8.740 32.185 ( -1.248 0.000 1.407) 1.880 32.256 ( -4.673 -0.000 -2.181) 5.156 33.346 ( 1.804 0.000 10.956) 11.103 33.880 ( 8.195 -0.000 -12.279) 14.763 ======================= Grid point 187 (81/216) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 23.567 10.989) 26.003 1.841 ( -0.000 13.439 10.907) 17.308 2.146 ( -0.000 20.477 -3.023) 20.699 2.206 ( 0.000 10.567 -10.008) 14.553 3.128 ( 0.000 -4.136 -0.522) 4.169 3.180 ( -0.000 -4.676 -7.214) 8.597 3.791 ( 0.000 1.117 10.655) 10.713 3.850 ( -0.000 -0.846 6.642) 6.696 4.597 ( -0.000 -5.631 5.881) 8.142 4.669 ( 0.000 -11.739 -1.608) 11.849 4.956 ( -0.000 -4.347 16.716) 17.272 5.060 ( 0.000 3.920 21.175) 21.535 5.198 ( 0.000 -3.992 -6.403) 7.546 5.221 ( 0.000 2.850 -3.221) 4.301 5.269 ( 0.000 4.015 1.126) 4.170 5.284 ( -0.000 3.083 -1.358) 3.369 5.338 ( 0.000 1.537 -2.269) 2.740 5.511 ( -0.000 0.398 -14.599) 14.604 6.186 ( -0.000 3.094 1.305) 3.358 6.207 ( 0.000 2.596 -1.439) 2.968 6.382 ( -0.000 1.268 -0.518) 1.370 6.448 ( 0.000 1.227 -7.502) 7.602 7.065 ( 0.000 1.994 20.992) 21.087 7.468 ( -0.000 0.252 -31.068) 31.069 12.870 ( 0.000 -0.006 2.733) 2.733 12.908 ( -0.000 -0.084 -2.431) 2.432 13.688 ( 0.000 -2.022 7.073) 7.356 13.788 ( -0.000 -2.065 -6.479) 6.800 17.474 ( 0.000 -2.756 0.941) 2.912 17.493 ( -0.000 -2.927 -1.594) 3.333 17.899 ( -0.000 0.838 1.697) 1.893 17.921 ( 0.000 1.084 -1.271) 1.671 18.448 ( 0.000 3.213 3.037) 4.421 18.492 ( -0.000 2.080 -2.750) 3.448 28.230 ( 0.000 -0.093 0.944) 0.949 28.243 ( -0.000 -0.106 -0.767) 0.775 31.896 ( -0.000 5.097 7.827) 9.340 32.014 ( 0.000 4.852 -8.042) 9.393 32.155 ( 0.000 -10.589 5.528) 11.945 32.234 ( -0.000 -8.589 -5.276) 10.080 33.470 ( 0.000 2.708 9.763) 10.132 33.616 ( -0.000 4.379 -9.903) 10.828 ======================= Grid point 188 (82/216) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 3.842 17.968 -0.000) 18.374 2.219 ( -9.868 8.130 -0.000) 12.786 2.268 ( -3.911 28.487 -0.000) 28.754 2.606 ( -22.114 23.422 -0.000) 32.212 3.010 ( 3.763 -9.095 0.000) 9.843 3.149 ( -2.143 -3.646 0.000) 4.229 3.828 ( 1.930 -0.627 0.000) 2.030 3.869 ( -1.723 0.647 -0.000) 1.840 4.483 ( 6.629 -8.500 0.000) 10.780 4.538 ( 5.158 -5.418 0.000) 7.480 4.914 ( 10.211 -4.465 0.000) 11.145 4.991 ( 9.995 1.303 0.000) 10.079 5.203 ( 1.947 4.224 -0.000) 4.651 5.219 ( 9.197 4.662 -0.000) 10.311 5.283 ( -8.063 -4.106 0.000) 9.049 5.314 ( -3.048 -2.489 0.000) 3.936 5.486 ( -11.396 -1.687 -0.000) 11.520 5.535 ( -8.297 5.954 -0.000) 10.213 6.155 ( 5.954 2.191 -0.000) 6.344 6.206 ( 3.371 2.682 -0.000) 4.308 6.406 ( -0.854 1.564 -0.000) 1.782 6.474 ( -4.840 2.768 -0.000) 5.576 7.229 ( 0.668 -0.022 0.000) 0.669 7.322 ( -4.066 2.264 -0.000) 4.654 12.870 ( 2.005 -0.156 0.000) 2.011 12.882 ( 1.262 0.166 0.000) 1.273 13.696 ( 1.617 -2.996 0.000) 3.404 13.735 ( -0.894 -1.609 0.000) 1.840 17.429 ( 1.196 -2.791 0.000) 3.036 17.496 ( -2.954 -2.332 0.000) 3.763 17.903 ( 0.914 0.373 -0.000) 0.987 17.922 ( -0.090 -0.665 0.000) 0.672 18.462 ( 1.844 2.139 -0.000) 2.824 18.543 ( -2.858 4.137 -0.000) 5.029 28.224 ( 0.657 -0.489 0.000) 0.819 28.247 ( -0.634 0.260 -0.000) 0.685 31.902 ( 8.177 3.304 -0.000) 8.820 31.965 ( 6.593 -5.197 0.000) 8.395 32.105 ( -3.400 4.136 -0.000) 5.353 32.195 ( -6.388 -10.046 0.000) 11.905 33.384 ( 11.654 -0.081 0.000) 11.655 33.774 ( -12.287 5.626 -0.000) 13.513 ======================= Grid point 195 (83/216) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 9.163 -3.302 7.082) 12.043 2.477 ( 1.265 -0.764 -1.763) 2.300 2.667 ( -7.043 2.549 -1.424) 7.625 2.955 ( 3.223 0.896 1.620) 3.717 3.239 ( 0.989 -6.402 -4.182) 7.711 3.519 ( 5.107 8.792 4.531) 11.132 3.589 ( -3.548 -5.027 14.709) 15.944 3.756 ( -3.453 0.796 4.609) 5.814 4.025 ( -0.228 6.246 1.481) 6.423 4.157 ( -1.063 8.478 -0.479) 8.558 4.451 ( 10.093 -10.310 -4.315) 15.059 4.538 ( -0.573 2.110 2.000) 2.963 4.826 ( -11.983 -3.367 -11.091) 16.671 5.000 ( 5.744 -4.509 2.506) 7.720 5.376 ( 4.768 -2.732 2.040) 5.862 5.504 ( -4.039 -3.040 -8.011) 9.473 5.710 ( 3.257 0.058 9.759) 10.288 5.868 ( -3.316 3.016 -3.047) 5.420 6.087 ( -4.718 -3.789 -1.882) 6.337 6.122 ( 1.452 -1.780 -2.857) 3.666 6.916 ( 4.583 2.063 3.658) 6.216 6.946 ( 8.033 0.662 -9.123) 12.174 7.355 ( 3.274 1.725 -2.882) 4.690 7.383 ( -6.918 1.838 3.718) 8.066 12.745 ( 0.869 0.025 0.458) 0.983 12.829 ( -0.623 -0.139 -0.876) 1.084 13.508 ( -0.319 1.440 2.971) 3.317 13.811 ( -1.366 -0.282 -2.471) 2.838 17.429 ( 0.230 0.842 -0.115) 0.881 17.637 ( 0.019 -2.698 -1.747) 3.214 17.809 ( -1.815 2.286 2.256) 3.689 17.891 ( -0.120 -1.021 0.140) 1.038 18.445 ( 1.479 0.355 0.984) 1.811 18.602 ( -0.434 -1.135 -0.525) 1.324 28.223 ( 0.401 -0.012 -0.004) 0.401 28.235 ( -0.594 -0.130 -0.053) 0.610 31.512 ( -0.960 0.256 1.127) 1.502 31.864 ( 3.537 -0.568 -5.558) 6.612 32.152 ( -1.294 -7.601 -0.570) 7.731 32.204 ( -4.358 -5.085 -1.004) 6.772 32.974 ( 2.992 21.311 8.368) 23.089 34.352 ( 0.395 -8.564 -3.615) 9.304 ======================= Grid point 196 (84/216) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 11.262 -4.582 8.312) 14.728 2.363 ( 7.980 -6.304 -0.537) 10.184 2.851 ( -12.507 7.073 -5.837) 15.509 2.988 ( 0.771 2.438 6.098) 6.613 3.146 ( 5.026 -1.467 1.061) 5.342 3.456 ( 10.571 1.803 10.764) 15.194 3.567 ( 9.175 -5.743 7.611) 13.232 3.854 ( 9.383 -8.004 6.603) 13.990 4.190 ( -5.497 5.587 4.756) 9.168 4.224 ( -10.620 -0.288 3.005) 11.041 4.302 ( -5.545 3.459 2.550) 7.015 4.609 ( -1.936 4.834 0.286) 5.215 4.877 ( -0.117 -9.657 -1.177) 9.729 4.900 ( -8.162 -1.095 -8.565) 11.881 5.317 ( 0.650 -1.422 -0.090) 1.566 5.472 ( 0.771 -3.282 0.684) 3.440 5.723 ( 2.382 -0.511 6.237) 6.696 5.912 ( -2.203 2.498 -9.270) 9.850 6.042 ( 2.464 -0.175 0.197) 2.478 6.123 ( -2.478 -1.731 -0.546) 3.071 6.730 ( 7.142 -1.163 -12.311) 14.280 6.874 ( 7.070 0.569 1.633) 7.278 7.252 ( 7.034 0.926 -2.202) 7.428 7.537 ( -7.920 2.422 -3.751) 9.092 12.741 ( 0.191 -0.261 1.537) 1.571 12.835 ( -1.503 -0.084 -1.727) 2.291 13.558 ( -0.624 1.510 4.824) 5.093 13.811 ( -1.712 0.211 -4.026) 4.380 17.439 ( 0.001 2.071 -0.067) 2.072 17.596 ( 0.314 -2.850 -1.668) 3.317 17.869 ( -1.285 1.701 1.893) 2.851 17.889 ( -0.465 -0.308 -0.022) 0.558 18.436 ( 1.379 0.369 1.757) 2.264 18.589 ( -0.222 -2.008 -1.060) 2.281 28.221 ( 0.087 0.343 0.072) 0.361 28.239 ( -0.363 -0.432 0.068) 0.569 31.558 ( -3.227 0.117 2.076) 3.839 31.783 ( 0.232 -0.972 -3.962) 4.086 32.115 ( -0.897 -2.598 -0.869) 2.883 32.220 ( -4.785 -6.274 -0.667) 7.918 33.196 ( 2.068 19.650 9.756) 22.035 34.194 ( 3.451 -10.342 -7.410) 13.182 ======================= Grid point 197 (85/216) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 10.993 -2.184 10.510) 15.365 2.134 ( 9.993 -7.925 -3.817) 13.313 2.867 ( 26.456 7.087 6.684) 28.192 3.041 ( 0.070 0.229 -3.096) 3.106 3.093 ( -7.056 1.826 -6.360) 9.673 3.207 ( 20.615 -10.280 -4.559) 23.483 3.561 ( -2.954 -0.988 27.004) 27.183 3.738 ( 3.278 -3.102 11.219) 12.093 4.292 ( -6.394 1.918 -1.952) 6.955 4.424 ( -9.398 6.774 -2.787) 11.916 4.633 ( -10.473 0.856 10.011) 14.513 4.675 ( -8.213 0.743 3.187) 8.841 4.846 ( -9.127 -4.594 -3.376) 10.761 4.955 ( -6.019 -2.471 -2.176) 6.861 5.330 ( -1.647 0.595 1.974) 2.639 5.429 ( 4.822 -1.837 5.554) 7.582 5.700 ( 4.371 -0.178 1.013) 4.490 5.823 ( 4.279 -0.452 -9.143) 10.105 6.049 ( -0.034 1.100 2.218) 2.476 6.142 ( -1.909 -0.069 -1.354) 2.341 6.547 ( 4.509 -1.832 -7.578) 9.006 6.716 ( 9.180 -0.136 -9.954) 13.542 7.162 ( 7.467 0.285 8.442) 11.274 7.584 ( -4.211 0.870 -14.250) 14.884 12.764 ( -1.441 -0.143 2.781) 3.136 12.848 ( -2.146 -0.066 -2.454) 3.261 13.623 ( -0.900 1.056 6.135) 6.290 13.806 ( -1.671 0.359 -5.336) 5.603 17.467 ( -0.371 2.992 0.281) 3.028 17.553 ( 0.161 -2.735 -1.593) 3.169 17.892 ( 0.094 0.928 0.295) 0.979 17.907 ( -0.851 -0.216 0.672) 1.105 18.436 ( 1.385 0.553 2.958) 3.312 18.551 ( 0.873 -2.138 -2.291) 3.253 28.227 ( -0.037 0.668 0.090) 0.675 28.240 ( -0.260 -0.674 0.137) 0.735 31.644 ( -4.736 0.232 3.868) 6.120 31.789 ( -5.124 -1.202 -3.131) 6.124 32.128 ( -1.722 2.980 -0.660) 3.505 32.224 ( -3.937 -6.209 -0.542) 7.372 33.400 ( 2.632 14.951 10.478) 18.446 33.952 ( 6.123 -10.725 -10.269) 16.062 ======================= Grid point 198 (86/216) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 9.242 -0.000 12.206) 15.310 1.891 ( 9.567 0.000 -6.362) 11.490 2.494 ( 29.927 0.000 8.319) 31.062 2.620 ( 27.727 -0.000 -8.064) 28.876 3.127 ( -2.889 0.000 -1.201) 3.128 3.163 ( -4.520 -0.000 -5.642) 7.229 3.786 ( 0.170 0.000 10.188) 10.189 3.795 ( -4.009 -0.000 13.775) 14.347 4.435 ( -9.378 -0.000 7.830) 12.217 4.592 ( -12.130 -0.000 -8.642) 14.894 4.746 ( -8.384 0.000 5.078) 9.802 4.854 ( -10.233 0.000 -7.456) 12.661 5.023 ( -3.295 -0.000 4.708) 5.746 5.029 ( -10.208 0.000 2.823) 10.591 5.373 ( 6.284 -0.000 6.517) 9.053 5.392 ( -1.563 0.000 3.576) 3.903 5.600 ( 8.783 0.000 1.399) 8.894 5.664 ( 7.703 -0.000 -7.556) 10.790 6.088 ( -1.913 -0.000 2.840) 3.424 6.144 ( -0.801 -0.000 -3.645) 3.732 6.451 ( 1.875 -0.000 -3.709) 4.156 6.496 ( 7.114 0.000 -9.530) 11.893 7.157 ( 5.953 -0.000 18.173) 19.123 7.474 ( 0.398 0.000 -23.334) 23.337 12.819 ( -2.475 -0.000 3.180) 4.030 12.863 ( -2.384 -0.000 -2.825) 3.696 13.692 ( -0.971 -0.000 6.740) 6.809 13.788 ( -1.261 0.000 -6.244) 6.370 17.499 ( -0.313 -0.000 1.234) 1.273 17.523 ( -0.233 0.000 -1.923) 1.937 17.899 ( 0.535 0.000 0.767) 0.935 17.908 ( 0.006 -0.000 -0.533) 0.533 18.444 ( 1.443 0.000 3.963) 4.218 18.499 ( 1.348 -0.000 -3.440) 3.694 28.233 ( 0.068 -0.000 0.501) 0.506 28.239 ( -0.283 0.000 -0.343) 0.444 31.759 ( -4.977 -0.000 6.043) 7.829 31.846 ( -6.484 0.000 -5.483) 8.491 32.207 ( -2.796 -0.000 1.492) 3.169 32.229 ( -4.062 0.000 -1.607) 4.369 33.517 ( 4.093 -0.000 11.995) 12.674 33.697 ( 6.314 0.000 -12.361) 13.880 ======================= Grid point 207 (87/216) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -7.466 8.513 -4.359) 12.133 2.327 ( 1.684 2.358 -5.982) 6.647 2.786 ( 5.602 -7.606 8.894) 12.974 2.947 ( -0.330 -2.755 -5.682) 6.323 3.241 ( -7.534 1.806 5.229) 9.347 3.476 ( -2.702 5.566 3.445) 7.082 3.632 ( -4.031 1.729 4.995) 6.648 3.772 ( -1.248 -1.806 6.050) 6.436 4.008 ( 3.265 3.523 1.331) 4.984 4.121 ( 4.905 8.823 3.052) 10.546 4.418 ( -3.525 0.186 -11.392) 11.927 4.584 ( -4.296 -7.221 -5.498) 10.041 4.672 ( -3.742 -1.664 -2.701) 4.906 5.105 ( 2.369 -2.037 -1.832) 3.621 5.297 ( -7.232 3.334 -17.838) 19.535 5.441 ( 0.802 -1.835 -0.994) 2.236 5.745 ( 3.806 2.304 6.992) 8.288 5.970 ( 4.274 -3.734 4.072) 6.985 6.020 ( -6.295 -3.492 -0.492) 7.215 6.148 ( 0.491 -3.384 -0.056) 3.419 6.977 ( 4.981 3.400 6.710) 9.022 7.092 ( 11.983 -1.530 -2.150) 12.270 7.333 ( -2.588 0.162 4.688) 5.357 7.372 ( 2.723 1.929 -0.908) 3.458 12.754 ( 0.292 0.571 0.271) 0.696 12.832 ( 1.011 -0.541 -0.178) 1.160 13.491 ( -1.148 2.473 0.753) 2.829 13.801 ( 0.048 -2.207 -0.650) 2.301 17.427 ( 0.514 0.585 -0.275) 0.825 17.648 ( -0.703 -2.989 -1.180) 3.289 17.770 ( -2.260 2.068 1.553) 3.434 17.906 ( 0.673 -0.925 0.233) 1.167 18.468 ( 1.636 1.204 0.885) 2.215 18.597 ( -0.324 -0.565 -1.227) 1.389 28.224 ( -0.654 -0.037 -0.011) 0.655 28.230 ( 0.307 -0.147 -0.251) 0.423 31.513 ( 1.265 1.538 0.188) 2.001 31.899 ( 3.010 -2.319 -1.543) 4.101 32.157 ( -5.676 -6.072 -1.065) 8.379 32.228 ( 0.841 -8.051 -2.105) 8.364 32.871 ( 3.888 22.523 5.275) 23.457 34.416 ( 0.113 -7.552 -0.755) 7.591 ======================= Grid point 208 (88/216) ======================= q-point: ( 0.27 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 8.156 -1.843 4.143) 9.332 2.421 ( -11.137 5.580 -3.255) 12.875 2.644 ( 3.831 -6.964 -0.575) 7.969 2.913 ( -3.655 -1.820 -7.361) 8.418 3.338 ( 6.494 3.067 12.495) 14.412 3.553 ( 3.628 8.200 1.522) 9.095 3.800 ( 3.548 -4.855 12.705) 14.056 3.861 ( -12.224 2.890 7.495) 14.627 4.074 ( -5.817 5.086 3.531) 8.495 4.181 ( -1.660 1.605 6.492) 6.891 4.324 ( 3.685 -5.695 -12.191) 13.951 4.564 ( -6.539 -2.924 -2.937) 7.742 4.671 ( -3.869 -1.901 -5.628) 7.090 5.008 ( 3.714 -6.185 -1.421) 7.353 5.254 ( -1.958 0.472 -14.958) 15.093 5.432 ( -3.852 -3.022 -0.242) 4.902 5.798 ( 0.632 5.633 3.258) 6.538 5.897 ( 6.106 0.280 3.096) 6.852 6.076 ( -4.454 -4.596 0.257) 6.405 6.101 ( -0.237 -3.405 -0.717) 3.488 6.836 ( 12.108 -0.723 -0.674) 12.148 6.977 ( 7.124 0.409 -1.310) 7.255 7.320 ( 3.956 2.822 -0.350) 4.873 7.421 ( -3.183 1.726 1.055) 3.771 12.756 ( 0.320 0.159 0.867) 0.937 12.815 ( -0.004 -0.465 -0.959) 1.066 13.549 ( -1.500 2.904 2.333) 4.016 13.776 ( -0.466 -1.650 -1.997) 2.632 17.425 ( 0.512 1.451 -0.248) 1.558 17.617 ( 0.027 -3.093 -0.914) 3.226 17.836 ( -2.172 2.057 1.311) 3.267 17.892 ( 0.312 -0.533 -0.042) 0.619 18.460 ( 1.516 1.052 0.920) 2.062 18.590 ( -0.873 -1.646 -0.840) 2.044 28.223 ( 0.283 0.041 -0.014) 0.287 28.234 ( -0.688 -0.212 -0.048) 0.721 31.528 ( -0.807 1.698 0.992) 2.126 31.795 ( 2.811 -3.011 -3.516) 5.416 32.144 ( -0.945 -7.125 -0.403) 7.199 32.194 ( -5.314 -5.830 -0.394) 7.899 33.083 ( 2.326 23.732 5.852) 24.553 34.299 ( 2.532 -10.190 -3.178) 10.970 ======================= Grid point 209 (89/216) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 10.028 -1.904 3.859) 10.912 2.358 ( 8.375 -12.195 0.008) 14.794 2.775 ( -15.178 7.167 -2.886) 17.031 2.937 ( -5.413 1.328 -4.253) 7.011 3.231 ( 20.459 7.785 3.067) 22.104 3.626 ( 4.192 1.974 4.592) 6.524 3.706 ( 10.323 -10.826 12.463) 19.471 3.934 ( 5.599 -8.049 4.547) 10.808 4.136 ( -5.259 4.705 -5.382) 8.875 4.234 ( -5.575 5.482 -2.373) 8.171 4.488 ( -18.221 -1.013 15.975) 24.254 4.605 ( -0.408 2.203 -0.452) 2.286 4.732 ( -14.154 -1.730 -13.014) 19.305 4.866 ( 2.333 -10.277 -0.421) 10.547 5.237 ( -4.728 3.973 -6.251) 8.787 5.469 ( -3.744 -3.750 0.289) 5.307 5.816 ( 6.198 1.534 2.845) 6.990 5.834 ( 3.047 1.308 -1.788) 3.767 6.054 ( 0.916 0.344 0.759) 1.238 6.125 ( -3.383 -3.455 0.684) 4.884 6.660 ( 10.218 -1.563 3.502) 10.914 6.788 ( 10.191 -0.625 -10.714) 14.800 7.310 ( 4.048 2.443 7.569) 8.924 7.455 ( -1.292 1.205 -6.782) 7.008 12.767 ( -0.600 0.070 1.784) 1.883 12.808 ( -0.946 -0.450 -1.771) 2.057 13.623 ( -1.742 2.974 3.334) 4.795 13.754 ( -0.797 -1.218 -3.023) 3.355 17.438 ( 0.178 2.709 -0.071) 2.716 17.578 ( 0.292 -3.345 -0.608) 3.412 17.887 ( -0.229 0.721 0.301) 0.814 17.890 ( -1.377 0.725 0.310) 1.586 18.458 ( 1.175 1.591 1.020) 2.225 18.572 ( -0.174 -3.062 -0.838) 3.180 28.222 ( 0.116 0.415 0.023) 0.431 28.240 ( -0.529 -0.497 0.023) 0.726 31.585 ( -3.259 2.100 1.287) 4.085 31.736 ( -1.762 -3.175 -1.944) 4.118 32.105 ( -0.740 -2.841 -0.334) 2.955 32.214 ( -4.648 -6.228 -0.213) 7.774 33.309 ( 2.173 23.176 4.518) 23.712 34.105 ( 4.774 -13.550 -3.691) 14.833 ======================= Grid point 210 (90/216) ======================= q-point: (-0.55 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 10.026 2.592 0.000) 10.355 2.089 ( 9.445 -13.736 0.000) 16.670 2.918 ( 26.071 10.901 -0.000) 28.258 3.022 ( -2.013 2.824 -0.000) 3.468 3.037 ( -7.989 0.836 -0.000) 8.033 3.169 ( 26.749 -15.412 0.000) 30.872 3.774 ( -2.772 3.094 -0.000) 4.154 3.855 ( 0.221 -5.528 0.000) 5.532 4.310 ( -10.234 5.861 -0.000) 11.794 4.356 ( -7.952 2.021 -0.000) 8.205 4.663 ( -5.803 1.289 -0.000) 5.945 4.725 ( -1.668 -3.966 0.000) 4.302 4.848 ( -15.375 1.230 -0.000) 15.424 4.905 ( -14.141 -5.849 0.000) 15.303 5.347 ( -3.620 6.172 -0.000) 7.155 5.460 ( -0.017 -4.723 0.000) 4.723 5.729 ( 7.338 1.035 0.000) 7.410 5.751 ( 6.185 -1.598 0.000) 6.388 6.079 ( -0.746 2.941 -0.000) 3.034 6.129 ( -0.594 -2.684 0.000) 2.749 6.536 ( 8.964 0.308 0.000) 8.969 6.562 ( 7.400 -2.368 0.000) 7.770 7.336 ( 3.437 2.955 -0.000) 4.533 7.382 ( 2.732 -1.868 0.000) 3.310 12.802 ( -1.947 0.457 -0.000) 2.000 12.813 ( -1.835 -0.653 0.000) 1.948 13.698 ( -1.768 2.828 -0.000) 3.335 13.737 ( -0.893 -1.414 0.000) 1.672 17.469 ( -0.313 3.756 -0.000) 3.769 17.541 ( 0.128 -3.454 0.000) 3.456 17.894 ( 0.062 1.148 -0.000) 1.149 17.913 ( -0.649 -0.490 0.000) 0.813 18.466 ( 1.054 2.453 -0.000) 2.670 18.527 ( 1.119 -3.925 0.000) 4.082 28.227 ( -0.101 0.704 -0.000) 0.712 28.241 ( -0.245 -0.702 0.000) 0.744 31.685 ( -5.480 2.851 -0.000) 6.177 31.753 ( -5.234 -4.023 0.000) 6.602 32.123 ( -1.895 3.165 -0.000) 3.688 32.221 ( -3.862 -6.212 0.000) 7.315 33.496 ( 3.237 21.116 -0.000) 21.363 33.858 ( 6.207 -16.834 0.000) 17.942 ======================= Grid point 219 (91/216) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -10.370 10.622 -9.360) 17.549 2.244 ( -1.943 12.962 -4.319) 13.800 2.908 ( -9.391 -6.284 -0.793) 11.327 2.969 ( -3.211 -1.957 9.902) 10.592 3.182 ( 4.354 -1.391 4.603) 6.487 3.383 ( -2.623 6.316 -7.322) 10.019 3.524 ( -5.371 0.399 -0.932) 5.466 3.781 ( -5.060 1.804 4.823) 7.220 3.999 ( -7.543 -2.427 -1.471) 8.059 4.142 ( 10.516 7.317 0.698) 12.830 4.386 ( 3.151 0.202 -2.404) 3.969 4.461 ( -14.409 8.743 -5.496) 17.728 4.586 ( 1.727 -2.217 -0.184) 2.816 4.982 ( -5.910 1.245 -18.238) 19.212 5.167 ( 1.595 -0.476 0.208) 1.677 5.488 ( 5.758 0.739 1.215) 5.931 5.854 ( -2.054 -5.903 4.843) 7.907 5.923 ( -8.191 -6.024 -0.733) 10.194 6.088 ( 5.230 1.789 0.724) 5.575 6.213 ( 5.176 -0.931 2.358) 5.764 7.084 ( 2.928 2.118 11.447) 12.004 7.251 ( 8.238 -0.159 -4.169) 9.234 7.345 ( 1.856 -0.954 -2.371) 3.158 7.442 ( 5.184 -2.458 6.164) 8.421 12.751 ( -0.040 0.842 0.213) 0.869 12.862 ( 2.007 -0.728 0.181) 2.142 13.447 ( -1.278 2.745 -0.464) 3.063 13.837 ( 0.982 -3.488 0.396) 3.645 17.427 ( 0.511 0.717 -0.392) 0.964 17.651 ( -1.807 -3.155 -0.767) 3.716 17.727 ( -2.283 1.471 0.856) 2.847 17.931 ( 1.181 -0.661 0.328) 1.392 18.487 ( 1.863 2.153 1.023) 3.025 18.586 ( 0.048 0.110 -1.715) 1.719 28.217 ( -0.365 -0.085 0.244) 0.447 28.230 ( -0.049 -0.115 -0.557) 0.571 31.513 ( 1.288 2.360 -1.207) 2.947 31.972 ( 0.303 -2.553 4.763) 5.412 32.112 ( -1.476 -1.651 -3.571) 4.202 32.313 ( 0.960 -11.232 -2.365) 11.518 32.766 ( 5.053 20.229 2.187) 20.965 34.479 ( -0.482 -5.911 1.037) 6.021 ======================= Grid point 220 (92/216) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -13.612 8.706 -3.671) 16.570 2.302 ( 3.425 5.011 0.040) 6.070 2.829 ( 1.271 -6.425 -0.733) 6.590 2.908 ( 6.699 -10.346 -0.282) 12.328 3.372 ( -7.069 6.765 9.922) 13.935 3.481 ( -2.484 8.670 -2.428) 9.340 3.666 ( -11.717 3.325 0.023) 12.179 3.909 ( -3.835 0.418 9.314) 10.081 4.028 ( 4.429 3.482 0.400) 5.648 4.153 ( -9.718 2.547 -5.441) 11.425 4.297 ( 5.204 -4.371 5.754) 8.905 4.469 ( -0.217 -8.178 -10.795) 13.545 4.682 ( -5.215 2.775 2.514) 6.420 4.960 ( -5.323 0.021 -11.858) 12.998 5.171 ( 0.542 1.165 -1.264) 1.803 5.434 ( 0.493 -2.899 -0.205) 2.948 5.827 ( 5.089 2.401 3.313) 6.530 5.988 ( -4.660 -6.414 -0.150) 7.929 6.020 ( 2.185 1.303 0.115) 2.546 6.153 ( 1.456 -3.768 0.295) 4.050 7.054 ( 11.549 -0.810 -0.434) 11.586 7.090 ( 7.916 -0.241 5.051) 9.393 7.300 ( 0.520 3.016 -3.982) 5.022 7.425 ( 1.646 0.164 3.031) 3.453 12.758 ( 0.053 0.563 0.183) 0.594 12.829 ( 1.390 -0.731 -0.107) 1.574 13.500 ( -1.850 3.441 0.311) 3.919 13.794 ( 0.599 -3.089 -0.255) 3.157 17.422 ( 0.697 0.959 -0.201) 1.203 17.637 ( -0.679 -3.075 -0.352) 3.169 17.786 ( -2.492 2.052 0.582) 3.280 17.908 ( 0.952 -0.770 0.043) 1.225 18.480 ( 1.902 1.509 0.498) 2.479 18.581 ( -0.897 -0.739 -0.694) 1.354 28.224 ( -0.526 -0.054 0.050) 0.531 28.227 ( 0.037 -0.168 -0.161) 0.236 31.514 ( 1.025 2.835 0.027) 3.014 31.880 ( 5.562 -4.630 -0.762) 7.277 32.149 ( -6.656 -5.173 -0.157) 8.431 32.207 ( -0.592 -9.003 -0.714) 9.051 32.929 ( 3.041 23.877 2.194) 24.169 34.405 ( 1.619 -8.234 -0.553) 8.409 ======================= Grid point 221 (93/216) ======================= q-point: (-0.64 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 7.603 -0.969 0.000) 7.665 2.396 ( -15.375 7.294 -0.000) 17.017 2.654 ( 7.601 -11.919 0.000) 14.136 2.836 ( -3.965 -0.636 -0.000) 4.016 3.442 ( 13.378 7.672 -0.000) 15.422 3.567 ( -3.486 7.249 -0.000) 8.044 3.894 ( -8.137 3.880 -0.000) 9.015 4.013 ( -0.743 -2.518 0.000) 2.625 4.081 ( -3.738 4.632 -0.000) 5.952 4.115 ( 4.134 -4.864 0.000) 6.383 4.363 ( -9.389 -5.046 0.000) 10.659 4.426 ( -16.166 -5.389 -0.000) 17.040 4.679 ( 6.867 -0.640 0.000) 6.896 4.971 ( -1.285 -2.688 0.000) 2.979 5.133 ( 0.568 -0.661 0.000) 0.872 5.432 ( -4.389 -3.764 0.000) 5.782 5.827 ( 2.329 5.964 -0.000) 6.403 5.912 ( 6.832 1.849 0.000) 7.078 6.082 ( -7.504 -5.309 0.000) 9.192 6.095 ( 1.537 -3.606 0.000) 3.919 6.884 ( 10.780 -0.549 0.000) 10.794 6.913 ( 12.479 -1.771 0.000) 12.604 7.328 ( 0.264 4.563 -0.000) 4.571 7.425 ( 0.643 0.894 -0.000) 1.101 12.764 ( -0.193 0.411 -0.000) 0.454 12.806 ( 0.518 -0.778 0.000) 0.934 13.568 ( -2.190 3.836 -0.000) 4.417 13.760 ( 0.119 -2.549 0.000) 2.551 17.423 ( 0.618 1.706 -0.000) 1.814 17.611 ( 0.059 -3.241 0.000) 3.242 17.846 ( -2.315 1.924 -0.000) 3.010 17.891 ( 0.477 -0.350 0.000) 0.591 18.468 ( 1.562 1.470 -0.000) 2.145 18.583 ( -1.063 -1.995 0.000) 2.261 28.223 ( 0.238 0.063 0.000) 0.246 28.233 ( -0.722 -0.241 -0.000) 0.762 31.537 ( -0.584 2.819 -0.000) 2.879 31.768 ( 2.213 -4.526 0.000) 5.038 32.141 ( -0.668 -6.843 0.000) 6.876 32.191 ( -5.640 -6.153 0.000) 8.347 33.129 ( 2.021 24.882 -0.000) 24.964 34.273 ( 3.370 -11.083 0.000) 11.584 ======================= Grid point 231 (94/216) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -12.006 13.844 -7.482) 19.793 1.961 ( -10.069 20.599 -3.332) 23.169 2.661 ( -21.040 4.672 0.628) 21.562 2.954 ( -7.905 4.312 7.442) 11.682 3.165 ( -5.008 0.120 -11.333) 12.390 3.427 ( 11.050 -7.374 1.120) 13.332 3.469 ( -0.490 5.483 -1.514) 5.709 3.732 ( -1.995 -0.843 6.811) 7.147 3.925 ( -5.895 -3.068 0.228) 6.649 4.067 ( -11.237 7.530 -5.913) 14.763 4.111 ( -8.507 19.893 -3.003) 21.843 4.413 ( 8.915 -2.347 -1.693) 9.373 4.696 ( 2.356 -1.780 6.765) 7.382 4.831 ( 1.187 -1.573 -11.570) 11.737 5.230 ( 3.827 -3.441 -0.462) 5.167 5.631 ( 13.903 5.283 1.236) 14.924 5.804 ( -9.118 -4.513 0.458) 10.184 5.875 ( -11.708 -11.709 1.708) 16.646 6.121 ( 2.544 3.940 -0.263) 4.697 6.359 ( 10.343 2.092 3.122) 11.004 7.177 ( 1.136 0.418 6.926) 7.031 7.326 ( 3.575 0.454 4.207) 5.540 7.381 ( 4.358 -1.045 -2.418) 5.092 7.602 ( 5.283 -6.989 -2.060) 9.000 12.742 ( -0.140 0.901 0.181) 0.929 12.905 ( 2.352 -0.820 0.165) 2.496 13.402 ( -0.714 2.473 -0.453) 2.613 13.894 ( 1.333 -4.082 0.444) 4.317 17.421 ( 0.294 1.174 -0.477) 1.301 17.637 ( -3.288 -3.302 -0.377) 4.675 17.688 ( -1.919 0.649 0.200) 2.036 17.956 ( 1.144 -0.221 0.247) 1.191 18.501 ( 2.311 3.324 1.024) 4.176 18.573 ( 0.353 0.683 -1.498) 1.683 28.214 ( -0.853 -0.204 0.233) 0.908 28.228 ( 0.515 -0.004 -0.437) 0.676 31.490 ( -0.414 1.724 -1.401) 2.260 31.943 ( -5.998 3.199 2.139) 7.126 32.143 ( 4.970 -0.080 -0.882) 5.048 32.450 ( 4.068 -12.660 -0.301) 13.301 32.689 ( 5.536 15.642 -0.365) 16.597 34.521 ( -1.646 -4.501 1.461) 5.010 ======================= Grid point 232 (95/216) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -11.976 10.442 -0.000) 15.889 2.214 ( -2.500 14.964 -0.000) 15.171 2.866 ( -5.339 -8.221 0.000) 9.803 3.161 ( 7.002 -11.137 0.000) 13.155 3.200 ( -10.953 6.020 -0.000) 12.499 3.263 ( -7.966 8.690 -0.000) 11.789 3.512 ( -3.655 1.313 -0.000) 3.883 3.829 ( -5.617 3.327 -0.000) 6.529 3.986 ( -8.830 -3.676 0.000) 9.564 4.151 ( 12.705 4.670 -0.000) 13.536 4.392 ( -2.488 2.381 -0.000) 3.443 4.418 ( -16.916 9.717 -0.000) 19.508 4.572 ( 10.155 -2.559 0.000) 10.472 4.826 ( -5.425 0.011 -0.000) 5.425 5.168 ( 0.961 -0.502 0.000) 1.085 5.497 ( 6.589 0.448 0.000) 6.605 5.903 ( -10.151 -6.683 0.000) 12.153 5.907 ( -1.479 -6.285 0.000) 6.457 6.091 ( 5.458 3.059 -0.000) 6.256 6.234 ( 6.977 -0.467 0.000) 6.993 7.180 ( 5.081 -0.095 0.000) 5.082 7.261 ( 3.258 2.310 -0.000) 3.993 7.269 ( 7.086 -1.402 0.000) 7.224 7.494 ( 3.656 -3.146 0.000) 4.823 12.753 ( -0.079 0.735 -0.000) 0.740 12.864 ( 2.087 -0.776 0.000) 2.226 13.443 ( -1.427 3.077 -0.000) 3.391 13.840 ( 1.122 -3.764 0.000) 3.927 17.423 ( 0.548 0.936 -0.000) 1.084 17.645 ( -1.822 -3.087 0.000) 3.584 17.733 ( -2.385 1.534 -0.000) 2.836 17.933 ( 1.295 -0.644 0.000) 1.446 18.496 ( 2.160 2.262 -0.000) 3.128 18.571 ( -0.353 0.076 -0.000) 0.361 28.220 ( 0.039 0.034 -0.000) 0.052 28.225 ( -0.510 -0.255 0.000) 0.571 31.503 ( 0.879 2.815 -0.000) 2.949 32.024 ( 7.246 -3.341 0.000) 7.979 32.070 ( -7.377 -1.454 -0.000) 7.519 32.295 ( 0.498 -11.529 0.000) 11.540 32.784 ( 4.431 20.850 -0.000) 21.316 34.486 ( 0.254 -6.171 0.000) 6.176 ======================= Grid point 242 (96/216) ======================= q-point: ( 0.18 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -13.783 17.665 -0.000) 22.406 1.525 ( -18.371 22.049 -0.000) 28.700 2.195 ( -24.097 19.447 -0.000) 30.966 2.784 ( -7.033 8.012 -0.000) 10.661 3.020 ( -9.271 2.794 -0.000) 9.683 3.306 ( -6.566 12.443 -0.000) 14.069 3.590 ( -10.961 12.972 -0.000) 16.983 3.728 ( 6.164 8.343 -0.000) 10.373 3.811 ( 7.218 -1.714 0.000) 7.419 3.958 ( 4.789 -5.302 0.000) 7.145 3.966 ( -2.171 -7.362 0.000) 7.676 4.602 ( 10.048 -4.946 0.000) 11.200 4.710 ( -4.913 -5.807 0.000) 7.606 4.868 ( 5.108 0.820 0.000) 5.173 5.324 ( 4.174 -2.485 0.000) 4.857 5.656 ( -10.913 0.190 -0.000) 10.914 5.702 ( -7.994 -1.403 -0.000) 8.116 5.939 ( 10.603 -5.487 0.000) 11.939 6.100 ( 0.721 5.173 -0.000) 5.223 6.506 ( 10.466 4.347 -0.000) 11.333 7.211 ( 0.481 -0.279 0.000) 0.556 7.439 ( 4.954 -0.278 0.000) 4.962 7.441 ( 3.267 -1.982 0.000) 3.822 7.681 ( -1.593 -9.234 0.000) 9.371 12.733 ( -0.041 0.915 -0.000) 0.915 12.949 ( 2.128 -0.841 0.000) 2.288 13.375 ( 0.102 2.120 -0.000) 2.122 13.955 ( 1.265 -4.178 0.000) 4.365 17.409 ( 0.059 1.478 -0.000) 1.479 17.605 ( -4.918 -3.757 0.000) 6.189 17.659 ( -1.400 0.138 -0.000) 1.407 17.971 ( 0.621 0.212 0.000) 0.656 18.513 ( 3.543 4.444 -0.000) 5.684 18.565 ( 0.430 0.982 -0.000) 1.072 28.199 ( -1.157 -0.104 -0.000) 1.161 28.240 ( 0.988 -0.123 0.000) 0.996 31.454 ( -1.923 0.362 -0.000) 1.956 31.817 ( -4.157 7.063 -0.000) 8.195 32.207 ( 4.765 1.695 -0.000) 5.057 32.634 ( 4.407 11.996 -0.000) 12.779 32.659 ( 7.051 -11.745 0.000) 13.699 34.529 ( -3.249 -3.792 0.000) 4.993 ======================= Grid point 253 (97/216) ======================= q-point: ( 0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.000 23.550 -0.000) 23.550 0.962 ( -0.000 23.262 -0.000) 23.262 1.877 ( -0.000 46.010 -0.000) 46.010 2.721 ( -0.000 11.220 -0.000) 11.220 2.827 ( -0.000 6.020 -0.000) 6.020 3.157 ( -0.000 8.876 -0.000) 8.876 3.284 ( -0.000 30.060 -0.000) 30.060 3.922 ( 0.000 -9.305 0.000) 9.305 3.935 ( 0.000 -1.038 0.000) 1.038 3.990 ( 0.000 -3.191 0.000) 3.191 4.346 ( 0.000 -11.850 0.000) 11.850 4.597 ( 0.000 -10.710 0.000) 10.710 4.778 ( 0.000 -6.803 0.000) 6.803 4.969 ( -0.000 0.579 -0.000) 0.579 5.035 ( 0.000 -5.339 0.000) 5.339 5.420 ( 0.000 -2.443 0.000) 2.443 5.548 ( -0.000 3.010 -0.000) 3.010 6.106 ( -0.000 5.985 -0.000) 5.985 6.276 ( -0.000 1.808 -0.000) 1.808 6.825 ( -0.000 4.883 -0.000) 4.883 7.220 ( 0.000 -0.630 0.000) 0.630 7.480 ( 0.000 -11.374 0.000) 11.374 7.517 ( 0.000 -0.632 0.000) 0.632 7.528 ( 0.000 -1.150 0.000) 1.150 12.740 ( -0.000 1.273 -0.000) 1.273 12.986 ( 0.000 -1.089 0.000) 1.089 13.392 ( -0.000 2.548 -0.000) 2.548 13.976 ( 0.000 -4.650 0.000) 4.650 17.410 ( -0.000 1.634 -0.000) 1.634 17.479 ( 0.000 -1.697 0.000) 1.697 17.636 ( -0.000 0.063 -0.000) 0.063 17.975 ( -0.000 0.123 -0.000) 0.123 18.574 ( -0.000 1.234 -0.000) 1.234 18.597 ( 0.000 -0.270 0.000) 0.270 28.177 ( -0.000 0.026 -0.000) 0.026 28.259 ( 0.000 -0.333 0.000) 0.333 31.407 ( -0.000 0.286 -0.000) 0.286 31.770 ( -0.000 9.463 -0.000) 9.463 32.321 ( 0.000 -2.168 0.000) 2.168 32.705 ( -0.000 11.108 -0.000) 11.108 32.866 ( 0.000 -8.528 0.000) 8.528 34.402 ( 0.000 -5.829 0.000) 5.829 ======================= Grid point 254 (98/216) ======================= q-point: ( 0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -6.665 20.729 14.045) 25.911 1.382 ( -20.924 19.378 4.797) 28.919 2.313 ( -1.570 35.290 5.741) 35.788 2.815 ( 0.119 11.729 -3.101) 12.133 2.946 ( -6.887 4.443 3.703) 8.993 3.309 ( -7.107 10.617 2.604) 13.039 3.591 ( -3.863 7.794 5.053) 10.060 3.801 ( -0.221 -9.903 -9.470) 13.704 3.900 ( 2.518 13.886 -2.553) 14.341 3.962 ( 4.830 2.437 4.715) 7.177 4.074 ( 14.341 -9.323 6.368) 18.252 4.553 ( -5.113 -8.651 0.744) 10.077 4.697 ( 5.121 -1.104 0.145) 5.240 4.949 ( 2.347 0.457 3.418) 4.172 5.237 ( -23.792 -10.457 -0.484) 25.993 5.356 ( 3.466 -3.826 -0.530) 5.190 5.600 ( -4.089 -0.457 0.024) 4.115 6.150 ( 2.667 5.641 -2.506) 6.725 6.194 ( 11.234 2.465 0.567) 11.515 6.709 ( 13.372 4.083 -6.340) 15.351 7.192 ( -0.680 -0.793 -6.735) 6.815 7.260 ( -7.588 -1.229 -23.679) 24.895 7.488 ( 1.916 -1.194 -2.990) 3.746 7.701 ( 1.117 -10.649 26.421) 28.508 12.750 ( 0.441 1.542 0.105) 1.607 12.964 ( 1.140 -1.301 -0.166) 1.738 13.409 ( 0.825 3.089 -0.057) 3.197 13.924 ( 0.522 -4.982 -0.537) 5.038 17.429 ( 0.293 1.430 1.021) 1.781 17.500 ( -4.288 -2.317 0.261) 4.881 17.644 ( -0.764 0.283 0.136) 0.826 17.972 ( 0.095 -0.567 -0.212) 0.613 18.572 ( 1.681 1.308 -1.140) 2.416 18.590 ( 0.453 0.784 1.243) 1.538 28.184 ( -0.671 0.075 0.158) 0.694 28.251 ( 0.579 -0.382 0.034) 0.694 31.438 ( -1.773 1.155 1.889) 2.836 31.863 ( -0.301 9.320 -0.041) 9.325 32.271 ( 2.328 -2.562 -0.678) 3.527 32.672 ( 7.671 -4.862 -5.954) 10.860 32.830 ( 3.738 9.401 6.265) 11.900 34.383 ( -5.762 -7.278 -2.773) 9.688 ======================= Grid point 255 (99/216) ======================= q-point: ( 0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -6.626 16.717 16.658) 24.512 1.925 ( -20.641 16.519 5.280) 26.959 2.599 ( -0.340 15.945 1.330) 16.004 2.902 ( -1.042 6.147 -0.885) 6.297 3.139 ( -8.264 2.794 8.794) 12.387 3.479 ( 3.607 -6.569 -0.006) 7.494 3.567 ( 3.728 2.379 2.594) 5.128 3.670 ( -2.940 4.391 -5.135) 7.369 3.877 ( 3.821 -3.951 4.908) 7.369 4.012 ( -5.439 0.448 5.463) 7.721 4.218 ( -6.453 25.176 2.021) 26.068 4.538 ( 3.448 -4.543 4.309) 7.148 4.649 ( 0.400 3.452 -2.291) 4.163 4.936 ( 3.101 -2.030 8.649) 9.410 5.254 ( 3.652 -5.040 0.651) 6.257 5.476 ( -20.360 -11.709 -2.023) 23.573 5.654 ( -5.504 -3.455 -0.323) 6.506 5.915 ( 18.767 2.446 -3.254) 19.203 6.189 ( 1.743 4.141 -0.878) 4.578 6.501 ( 9.915 1.825 -7.393) 12.501 7.135 ( 0.457 0.163 -9.049) 9.062 7.249 ( -5.761 1.376 -11.103) 12.584 7.419 ( 1.952 -0.987 -3.164) 3.846 7.677 ( 6.685 -9.614 11.123) 16.151 12.758 ( 0.521 1.717 0.102) 1.797 12.927 ( 1.826 -1.280 -0.296) 2.249 13.431 ( 0.337 3.361 0.466) 3.410 13.863 ( 0.676 -4.779 -0.797) 4.892 17.439 ( 0.241 0.816 0.045) 0.852 17.551 ( -4.241 -2.681 1.034) 5.123 17.666 ( -1.469 0.788 -0.375) 1.709 17.957 ( 0.428 -1.410 -0.534) 1.568 18.550 ( 2.018 1.921 -1.057) 2.980 18.602 ( 0.522 0.482 1.913) 2.041 28.198 ( -0.812 -0.025 0.030) 0.813 28.239 ( 0.569 -0.244 0.371) 0.722 31.500 ( -2.240 1.867 1.978) 3.524 31.930 ( 0.731 6.255 -2.353) 6.723 32.206 ( 1.851 -2.946 -0.934) 3.602 32.450 ( 9.026 -7.083 0.567) 11.488 32.915 ( 4.213 14.982 1.919) 15.681 34.378 ( -5.746 -8.684 -3.400) 10.954 ======================= Grid point 256 (100/216) ======================= q-point: ( 0.45 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -4.812 13.132 15.701) 21.027 2.348 ( -8.612 12.833 5.554) 16.423 2.675 ( -5.924 0.362 -8.195) 10.119 2.912 ( 0.862 -4.636 2.836) 5.503 3.228 ( 6.548 -0.054 -4.646) 8.028 3.459 ( -6.509 1.830 11.607) 13.432 3.524 ( 4.340 5.467 0.825) 7.029 3.765 ( 0.404 6.502 -0.614) 6.544 3.888 ( -6.186 -5.272 6.271) 10.266 4.246 ( -8.420 7.365 2.106) 11.383 4.442 ( -1.684 8.080 2.525) 8.632 4.489 ( 5.306 1.666 6.747) 8.744 4.621 ( 4.856 2.419 -3.386) 6.395 5.037 ( -5.338 -0.445 18.184) 18.956 5.183 ( 1.263 -1.050 1.125) 1.991 5.545 ( -0.933 -5.605 -6.388) 8.550 5.711 ( -0.061 -4.306 0.015) 4.307 5.732 ( -7.193 -4.219 1.247) 8.431 6.151 ( 4.462 0.857 -4.448) 6.358 6.319 ( 9.487 1.226 -4.925) 10.759 7.053 ( 1.195 2.454 -11.367) 11.690 7.268 ( -2.962 1.152 -6.959) 7.650 7.380 ( 0.087 -0.069 -1.259) 1.264 7.510 ( 10.595 -6.335 2.204) 12.539 12.766 ( 0.573 1.664 0.083) 1.762 12.883 ( 1.961 -1.092 -0.339) 2.270 13.466 ( -0.271 3.259 0.519) 3.311 13.808 ( 0.349 -4.067 -0.506) 4.113 17.439 ( 0.190 0.345 -0.461) 0.607 17.590 ( -2.965 -2.934 1.454) 4.418 17.699 ( -2.088 1.636 -1.130) 2.883 17.927 ( 0.547 -2.055 -0.810) 2.276 18.528 ( 2.117 1.778 -0.989) 2.936 18.609 ( 0.737 -0.024 2.093) 2.219 28.206 ( -0.535 -0.168 -0.286) 0.630 28.237 ( 0.193 -0.057 0.828) 0.852 31.558 ( -0.449 2.400 1.537) 2.885 31.904 ( 1.028 -0.481 -6.535) 6.633 32.146 ( 1.210 -3.402 -0.800) 3.698 32.311 ( 6.318 -4.141 8.161) 11.120 33.006 ( 4.373 18.670 -1.579) 19.240 34.346 ( -4.579 -10.319 -3.040) 11.691 ======================= Grid point 257 (101/216) ======================= q-point: ( 0.55 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -2.732 9.621 7.788) 12.675 2.448 ( 4.016 1.880 5.359) 6.956 2.705 ( -0.253 -1.342 -9.284) 9.384 2.897 ( -8.121 -9.685 5.910) 13.953 3.135 ( 1.848 4.328 -1.986) 5.107 3.498 ( 5.895 2.792 -1.347) 6.660 3.662 ( -4.726 7.329 3.286) 9.319 3.749 ( 3.942 3.417 -2.882) 5.959 4.056 ( -6.587 2.879 8.046) 10.790 4.301 ( 7.057 6.686 -0.667) 9.744 4.451 ( 0.862 -3.912 7.045) 8.104 4.542 ( 1.793 0.047 3.738) 4.146 4.618 ( -4.144 0.394 3.304) 5.315 5.134 ( 1.059 -2.935 4.917) 5.823 5.326 ( -4.873 1.364 10.988) 12.097 5.475 ( -0.063 0.879 4.606) 4.690 5.695 ( -3.274 -3.235 -4.742) 6.609 5.828 ( -7.731 -4.593 0.300) 8.997 6.005 ( 5.354 -3.130 -9.326) 11.200 6.171 ( 6.004 -0.194 -1.464) 6.183 6.998 ( 0.669 4.830 -8.447) 9.753 7.230 ( 1.403 -1.886 -10.100) 10.370 7.310 ( 9.124 -1.370 5.004) 10.496 7.399 ( -1.265 1.603 -2.206) 3.006 12.771 ( 0.766 1.318 0.061) 1.526 12.845 ( 1.449 -0.800 -0.119) 1.659 13.498 ( -0.182 2.390 -0.715) 2.502 13.778 ( -0.684 -2.555 0.768) 2.754 17.435 ( 0.081 0.236 -0.656) 0.702 17.612 ( -1.714 -2.800 1.918) 3.802 17.741 ( -2.321 2.158 -1.706) 3.599 17.894 ( 0.176 -2.294 -0.999) 2.508 18.502 ( 2.150 1.265 -0.976) 2.679 18.609 ( 0.823 -0.425 1.722) 1.955 28.212 ( -0.725 -0.075 -0.114) 0.737 28.238 ( 0.424 -0.095 0.648) 0.780 31.559 ( 3.081 1.321 -0.390) 3.375 31.860 ( -3.573 -2.678 -3.754) 5.833 32.097 ( 0.040 -3.761 -0.675) 3.821 32.261 ( 6.378 -2.490 10.661) 12.671 33.098 ( 4.426 20.610 -5.185) 21.708 34.291 ( -4.113 -11.616 -1.632) 12.430 ======================= Grid point 258 (102/216) ======================= q-point: (-0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 8.158 -0.625 -8.935) 12.115 2.514 ( 7.282 -2.418 -8.654) 11.566 2.623 ( -6.910 4.852 11.528) 14.290 3.025 ( -4.367 -5.668 16.131) 17.646 3.186 ( -4.660 3.942 -7.867) 9.957 3.348 ( 6.988 -5.077 -2.450) 8.979 3.710 ( 3.642 5.409 -3.028) 7.190 3.773 ( 1.655 8.165 0.411) 8.341 4.152 ( 5.568 5.222 2.753) 8.115 4.267 ( 4.401 6.365 2.185) 8.041 4.477 ( -2.017 -7.739 3.431) 8.702 4.566 ( 1.348 5.334 0.270) 5.508 4.691 ( -7.222 -5.925 9.564) 13.369 5.041 ( 7.925 -4.985 -0.935) 9.408 5.388 ( -1.384 -2.985 1.032) 3.448 5.517 ( 5.735 -1.324 0.953) 5.962 5.688 ( 3.879 -0.053 -10.509) 11.203 5.828 ( -6.072 0.762 -0.464) 6.137 5.945 ( -8.199 -4.129 -0.062) 9.180 6.154 ( -0.940 -1.038 8.343) 8.460 6.958 ( 4.594 2.217 -7.077) 8.724 7.138 ( 0.973 2.727 3.162) 4.287 7.259 ( -0.164 -0.554 -2.131) 2.208 7.414 ( 0.019 1.369 -0.852) 1.612 12.765 ( 1.299 0.609 0.086) 1.437 12.828 ( 0.117 -0.276 0.410) 0.508 13.499 ( 0.426 0.959 -2.540) 2.748 13.797 ( -2.048 -0.599 2.338) 3.166 17.433 ( -0.138 0.360 -0.821) 0.907 17.623 ( -0.705 -2.256 2.536) 3.467 17.782 ( -2.064 2.194 -2.132) 3.691 17.867 ( -0.524 -2.166 -1.231) 2.546 18.470 ( 2.148 0.602 -1.014) 2.450 18.602 ( 0.723 -0.573 0.943) 1.320 28.224 ( -0.787 0.011 0.103) 0.793 28.231 ( 0.663 -0.117 0.251) 0.718 31.515 ( 2.034 0.322 -0.727) 2.184 31.894 ( -4.436 -2.681 0.251) 5.189 32.073 ( -1.124 -1.777 -0.260) 2.119 32.212 ( 6.281 -2.674 9.339) 11.567 33.159 ( 5.016 18.188 -8.419) 20.661 34.247 ( -4.382 -10.711 0.791) 11.600 ======================= Grid point 259 (103/216) ======================= q-point: (-0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 11.950 -1.294 -8.098) 14.493 2.257 ( 7.567 -2.813 -20.406) 21.945 2.854 ( 0.880 2.418 12.390) 12.654 3.041 ( 6.659 2.384 6.237) 9.430 3.251 ( -7.132 -5.017 13.302) 15.905 3.285 ( -4.500 -2.176 -9.078) 10.363 3.691 ( 2.659 5.763 -3.476) 7.237 3.756 ( 12.350 8.221 1.041) 14.873 4.025 ( 9.195 -11.032 -0.482) 14.370 4.268 ( 2.412 2.150 -0.691) 3.304 4.425 ( 6.239 9.050 1.366) 11.076 4.602 ( -1.060 5.138 -2.320) 5.737 4.804 ( -0.039 -11.856 2.749) 12.171 4.928 ( -4.544 -0.680 2.597) 5.277 5.232 ( 8.377 0.456 -13.292) 15.718 5.306 ( 8.875 -6.062 -15.878) 19.173 5.664 ( -7.290 -0.212 5.215) 8.966 5.968 ( -4.340 1.554 -0.724) 4.666 6.055 ( -8.044 -2.400 2.876) 8.874 6.262 ( -0.067 0.849 14.481) 14.506 6.826 ( 4.692 0.220 -5.609) 7.317 7.199 ( 6.356 0.377 12.545) 14.069 7.349 ( -15.117 2.392 -1.554) 15.384 7.411 ( 1.064 0.507 0.408) 1.247 12.747 ( 1.537 0.127 0.561) 1.641 12.841 ( -1.214 0.019 0.723) 1.413 13.472 ( 0.710 0.242 -3.412) 3.494 13.855 ( -2.794 0.282 2.845) 3.997 17.433 ( -0.381 0.341 -1.217) 1.320 17.632 ( 0.008 -1.294 3.069) 3.331 17.813 ( -1.541 2.034 -2.419) 3.517 17.851 ( -1.147 -1.993 -1.602) 2.802 18.431 ( 2.331 -0.016 -1.126) 2.588 18.591 ( 0.541 -0.424 -0.008) 0.688 28.222 ( 0.425 -0.047 -0.086) 0.436 28.235 ( -0.346 0.000 0.148) 0.377 31.501 ( 0.001 0.266 -0.014) 0.266 31.920 ( -0.326 -2.530 2.314) 3.444 32.101 ( -1.975 1.656 1.096) 2.801 32.169 ( 2.204 -3.261 5.735) 6.956 33.146 ( 4.796 10.233 -10.161) 15.198 34.249 ( -4.107 -6.110 3.228) 8.039 ======================= Grid point 260 (104/216) ======================= q-point: (-0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 15.774 -0.000 -6.810) 17.181 1.931 ( 8.892 -0.000 -29.075) 30.404 2.730 ( 19.177 0.000 12.236) 22.748 3.200 ( -11.111 0.000 6.714) 12.982 3.216 ( 1.422 -0.000 -10.329) 10.426 3.407 ( 32.743 -0.000 -2.990) 32.879 3.410 ( 2.173 0.000 13.464) 13.638 3.681 ( 3.168 0.000 1.934) 3.711 3.863 ( 0.007 -0.000 -3.146) 3.146 4.160 ( 7.829 -0.000 -15.409) 17.284 4.458 ( -2.971 0.000 0.747) 3.063 4.694 ( 1.791 0.000 3.047) 3.534 4.709 ( -6.404 -0.000 -3.071) 7.102 4.856 ( 6.697 -0.000 -6.358) 9.235 5.046 ( 2.265 -0.000 -16.052) 16.211 5.215 ( -7.082 0.000 -0.927) 7.143 5.846 ( -8.574 0.000 8.227) 11.883 6.004 ( -1.005 -0.000 -0.342) 1.061 6.121 ( 2.838 0.000 1.041) 3.023 6.301 ( 2.536 0.000 1.780) 3.098 6.824 ( -2.962 0.000 10.037) 10.464 7.181 ( 6.043 0.000 9.488) 11.249 7.403 ( 0.972 0.000 1.519) 1.803 7.643 ( -18.000 0.000 4.662) 18.595 12.731 ( 1.440 0.000 1.200) 1.874 12.873 ( -2.179 0.000 0.780) 2.314 13.436 ( 0.746 -0.000 -3.471) 3.550 13.922 ( -2.884 0.000 2.619) 3.896 17.431 ( -0.559 -0.000 -1.830) 1.914 17.645 ( 0.442 0.000 3.056) 3.088 17.829 ( -0.869 -0.000 -2.502) 2.649 17.845 ( -1.752 -0.000 -1.781) 2.498 18.381 ( 2.846 -0.000 -1.245) 3.106 18.579 ( 0.279 -0.000 -0.931) 0.971 28.218 ( -0.235 -0.000 -0.241) 0.336 28.235 ( 0.411 -0.000 0.031) 0.412 31.508 ( -0.684 -0.000 -0.409) 0.796 31.887 ( 5.005 0.000 2.156) 5.449 32.158 ( -1.903 0.000 0.213) 1.915 32.190 ( -3.419 0.000 4.154) 5.380 33.063 ( 2.215 -0.000 -9.265) 9.526 34.303 ( -2.424 0.000 4.884) 5.452 ======================= Grid point 265 (105/216) ======================= q-point: ( 0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.000 21.507 12.858) 25.057 1.135 ( 0.000 19.274 27.449) 33.540 2.003 ( -0.000 41.791 17.943) 45.480 2.720 ( -0.000 11.338 -0.239) 11.341 2.781 ( -0.000 10.974 -4.842) 11.995 3.201 ( -0.000 10.465 5.610) 11.874 3.417 ( -0.000 23.255 16.461) 28.491 3.803 ( -0.000 -7.410 -13.945) 15.791 3.887 ( -0.000 -1.985 -5.655) 5.994 4.078 ( 0.000 -3.676 10.815) 11.422 4.385 ( 0.000 -12.602 3.652) 13.121 4.608 ( 0.000 -9.701 1.106) 9.764 4.783 ( 0.000 -6.639 0.946) 6.706 5.004 ( 0.000 0.641 4.947) 4.988 5.042 ( 0.000 -5.252 0.934) 5.334 5.405 ( 0.000 -2.440 -2.066) 3.198 5.550 ( -0.000 3.531 0.345) 3.548 6.081 ( -0.000 7.085 -3.996) 8.135 6.277 ( -0.000 1.864 0.133) 1.869 6.797 ( -0.000 10.175 -41.502) 42.731 6.813 ( -0.000 4.620 -1.605) 4.891 7.170 ( -0.000 -0.254 -7.164) 7.169 7.472 ( -0.000 -0.824 -7.444) 7.489 8.071 ( 0.000 -18.407 26.907) 32.600 12.744 ( -0.000 1.218 0.557) 1.339 12.983 ( 0.000 -1.039 -0.393) 1.111 13.389 ( -0.000 2.488 0.062) 2.489 13.967 ( 0.000 -4.536 -1.260) 4.708 17.451 ( 0.000 -0.078 4.426) 4.427 17.470 ( 0.000 -1.829 -1.132) 2.150 17.645 ( 0.000 -0.537 1.540) 1.631 17.973 ( -0.000 0.078 -0.286) 0.296 18.577 ( -0.000 1.313 0.263) 1.339 18.581 ( -0.000 1.588 -1.933) 2.502 28.180 ( 0.000 0.019 0.373) 0.374 28.259 ( 0.000 -0.326 -0.033) 0.328 31.457 ( 0.000 -2.690 6.260) 6.814 31.776 ( -0.000 8.931 0.935) 8.980 32.311 ( 0.000 -2.533 -1.469) 2.929 32.633 ( -0.000 6.254 -7.515) 9.777 32.938 ( 0.000 -3.472 7.549) 8.309 34.338 ( -0.000 -2.722 -7.885) 8.342 ======================= Grid point 266 (106/216) ======================= q-point: ( 0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -17.351 18.495 12.066) 28.084 1.537 ( -3.162 17.334 25.786) 31.231 2.478 ( 1.535 25.912 15.442) 30.203 2.775 ( 0.603 15.541 -0.317) 15.555 3.002 ( -11.295 7.023 3.016) 13.637 3.385 ( -5.443 9.919 7.254) 13.440 3.613 ( 2.673 -4.397 -12.845) 13.838 3.720 ( 1.404 -3.929 6.516) 7.737 3.872 ( -3.542 22.434 3.067) 22.918 4.071 ( 7.828 0.300 9.567) 12.365 4.176 ( 8.445 -12.868 6.544) 16.725 4.566 ( -4.097 -5.460 0.619) 6.854 4.707 ( 5.568 -1.804 1.797) 6.123 5.044 ( 0.719 -0.940 8.876) 8.955 5.224 ( -22.175 -9.448 -1.107) 24.129 5.342 ( 1.827 -3.781 -1.232) 4.376 5.602 ( -2.930 0.446 0.295) 2.979 6.072 ( 8.111 7.120 -8.576) 13.786 6.202 ( 7.648 2.796 0.390) 8.152 6.533 ( 7.013 4.477 -14.098) 16.370 6.966 ( -10.743 4.015 -11.430) 16.192 7.098 ( 0.649 0.452 -10.636) 10.666 7.399 ( 0.253 -0.486 -8.863) 8.880 7.998 ( 6.877 -15.217 12.288) 20.732 12.755 ( 0.686 1.515 0.704) 1.806 12.959 ( 1.162 -1.190 -0.522) 1.743 13.414 ( 0.345 2.762 0.948) 2.940 13.908 ( 0.471 -4.710 -1.636) 5.009 17.438 ( 0.351 -0.251 -0.493) 0.655 17.515 ( -3.852 -1.445 1.472) 4.370 17.655 ( -0.618 -1.120 1.749) 2.167 17.966 ( 0.174 -0.684 -0.597) 0.924 18.556 ( 2.420 2.453 -1.043) 3.600 18.608 ( -0.645 0.978 1.026) 1.557 28.189 ( -0.550 0.029 0.424) 0.696 28.251 ( 0.424 -0.332 0.073) 0.544 31.489 ( -1.644 -1.950 4.698) 5.346 31.865 ( 0.858 8.960 0.412) 9.011 32.249 ( 1.115 -4.044 -2.371) 4.819 32.570 ( 4.759 0.966 -7.128) 8.625 32.943 ( 6.385 4.858 8.438) 11.643 34.307 ( -6.257 -4.785 -7.106) 10.609 ======================= Grid point 267 (107/216) ======================= q-point: ( 0.45 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -2.097 15.837 20.355) 25.876 2.038 ( -18.591 14.511 10.151) 25.675 2.606 ( 2.980 6.021 -0.050) 6.718 2.949 ( 0.483 5.846 5.095) 7.770 3.203 ( -4.048 3.321 1.073) 5.345 3.476 ( 1.126 0.005 -0.655) 1.303 3.635 ( 1.287 2.946 6.320) 7.090 3.677 ( -0.765 9.928 5.499) 11.375 3.949 ( 3.997 -3.579 5.263) 7.516 4.111 ( -5.342 -4.658 7.932) 10.637 4.275 ( -5.564 18.282 6.407) 20.155 4.607 ( -1.033 1.866 -2.118) 3.006 4.625 ( 6.703 1.298 6.351) 9.325 5.084 ( -0.464 -0.904 9.401) 9.456 5.282 ( 0.503 -6.829 3.646) 7.758 5.428 ( -15.391 -8.995 -4.261) 18.329 5.648 ( -5.392 -2.962 -0.509) 6.173 5.854 ( 13.893 3.915 -4.228) 15.041 6.168 ( 2.813 1.904 -2.063) 3.974 6.390 ( 7.143 2.290 -6.723) 10.074 6.967 ( 1.102 1.099 -12.836) 12.930 7.092 ( -7.090 3.910 -10.486) 13.249 7.340 ( -1.151 -0.129 -7.557) 7.645 7.789 ( 10.972 -10.838 3.317) 15.775 12.763 ( 0.836 1.739 0.632) 2.030 12.920 ( 1.849 -1.116 -0.623) 2.248 13.446 ( 0.094 2.682 1.630) 3.139 13.846 ( 0.477 -4.249 -1.626) 4.575 17.431 ( -0.307 -0.059 -1.120) 1.163 17.569 ( -3.747 -1.398 0.756) 4.070 17.668 ( -1.066 -1.207 1.230) 2.026 17.945 ( 0.443 -1.574 -1.026) 1.931 18.536 ( 2.402 2.558 -0.942) 3.633 18.630 ( 0.054 0.456 1.778) 1.836 28.199 ( -0.460 -0.160 0.058) 0.491 28.246 ( 0.200 -0.092 0.559) 0.601 31.540 ( -2.615 -0.807 3.305) 4.291 31.887 ( 3.752 4.376 -3.253) 6.619 32.180 ( -0.228 -5.172 -2.721) 5.848 32.463 ( 5.156 0.679 1.242) 5.347 32.960 ( 7.407 11.362 4.267) 14.219 34.306 ( -6.637 -7.163 -6.277) 11.609 ======================= Grid point 268 (108/216) ======================= q-point: ( 0.55 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -0.434 11.112 10.891) 15.565 2.468 ( -10.375 10.579 10.312) 18.052 2.584 ( -1.203 -2.188 -1.539) 2.933 2.899 ( 1.998 -6.794 -5.892) 9.212 3.223 ( 6.381 7.234 2.984) 10.097 3.508 ( 0.332 3.970 3.813) 5.515 3.673 ( 3.815 -0.565 12.947) 13.509 3.769 ( 2.466 4.413 1.299) 5.220 4.002 ( -6.935 -0.972 7.945) 10.591 4.283 ( -0.604 9.037 2.471) 9.389 4.485 ( -5.871 3.653 3.122) 7.587 4.571 ( 4.139 4.972 -1.857) 6.731 4.621 ( 3.444 -0.267 10.086) 10.661 5.197 ( 1.280 1.814 0.824) 2.368 5.307 ( -7.566 -2.082 16.191) 17.993 5.442 ( -3.053 -3.113 -6.810) 8.086 5.706 ( -3.228 -5.265 -0.709) 6.216 5.760 ( -3.161 -2.350 2.754) 4.805 6.060 ( 6.344 -2.409 -7.724) 10.281 6.248 ( 7.531 1.493 -4.649) 8.975 6.887 ( -0.411 3.221 -10.128) 10.635 7.132 ( -3.247 2.487 -10.867) 11.611 7.323 ( -2.872 0.532 -6.212) 6.864 7.542 ( 11.547 -6.005 1.296) 13.080 12.770 ( 0.818 1.649 0.504) 1.908 12.877 ( 1.874 -0.866 -0.582) 2.145 13.478 ( 0.140 2.095 1.144) 2.391 13.798 ( -0.178 -3.063 -0.836) 3.180 17.427 ( -0.294 -0.046 -1.061) 1.102 17.614 ( -3.002 -1.819 1.087) 3.675 17.686 ( -1.569 -0.038 -0.002) 1.569 17.911 ( 0.373 -2.289 -1.368) 2.693 18.514 ( 2.309 2.083 -0.978) 3.260 18.639 ( 0.771 -0.100 1.801) 1.962 28.203 ( -0.504 -0.203 -0.164) 0.568 28.249 ( 0.223 0.026 0.790) 0.821 31.588 ( -0.008 0.377 2.415) 2.444 31.810 ( 0.792 -1.527 -5.987) 6.229 32.119 ( -1.092 -5.742 -2.831) 6.494 32.447 ( 5.558 2.416 9.775) 11.501 32.986 ( 7.256 16.148 -0.833) 17.722 34.284 ( -6.106 -9.411 -5.257) 12.389 ======================= Grid point 269 (109/216) ======================= q-point: ( 0.64 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 3.427 -0.725 -6.020) 6.965 2.568 ( 5.457 -1.594 -7.018) 9.032 2.663 ( 1.133 3.034 16.815) 17.124 2.883 ( -13.355 0.275 -3.677) 13.855 3.234 ( 5.892 5.380 10.233) 12.976 3.527 ( 6.788 2.177 5.114) 8.773 3.726 ( -0.104 -2.732 4.220) 5.028 3.734 ( 4.990 6.095 3.629) 8.673 4.170 ( -0.682 7.164 7.538) 10.422 4.297 ( 7.450 9.149 0.404) 11.805 4.499 ( -3.559 -6.325 -0.475) 7.273 4.561 ( 2.822 2.409 0.905) 3.819 4.745 ( -4.082 -2.570 10.540) 11.592 5.147 ( 5.295 1.313 -2.261) 5.905 5.395 ( -3.295 -2.882 0.420) 4.398 5.609 ( 1.770 1.497 3.738) 4.398 5.625 ( -3.896 -1.602 -0.386) 4.230 5.807 ( 3.267 -5.136 -8.208) 10.219 5.862 ( -4.311 -5.163 -4.554) 8.123 6.189 ( -0.981 1.008 5.623) 5.796 6.899 ( -2.966 3.983 -4.744) 6.868 7.063 ( 1.637 0.169 -11.612) 11.728 7.335 ( -1.840 1.386 -4.506) 5.060 7.389 ( 5.345 -0.966 3.503) 6.463 12.774 ( 0.903 1.225 0.396) 1.573 12.843 ( 1.141 -0.490 -0.238) 1.265 13.488 ( 0.776 0.883 -0.554) 1.300 13.790 ( -1.473 -1.183 0.762) 2.037 17.424 ( -0.202 -0.045 -0.823) 0.848 17.644 ( -1.817 -2.191 2.086) 3.529 17.716 ( -1.997 1.430 -1.345) 2.800 17.874 ( -0.151 -2.669 -1.573) 3.102 18.488 ( 2.179 1.351 -0.930) 2.727 18.631 ( 1.281 -0.444 1.213) 1.819 28.211 ( -0.872 -0.046 -0.037) 0.874 28.247 ( 0.740 -0.054 0.538) 0.917 31.559 ( 4.209 0.466 0.297) 4.245 31.812 ( -6.960 -2.575 -2.546) 7.845 32.068 ( -2.248 -5.867 -3.095) 7.004 32.439 ( 9.350 1.518 12.933) 16.030 33.024 ( 6.570 18.886 -4.722) 20.546 34.251 ( -6.460 -10.849 -3.719) 13.163 ======================= Grid point 270 (110/216) ======================= q-point: (-0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 6.790 -3.330 -8.247) 11.189 2.306 ( 10.434 -4.689 -14.813) 18.716 2.864 ( -4.675 3.317 16.196) 17.181 3.052 ( -9.242 1.380 -6.217) 11.224 3.278 ( 8.432 3.581 13.642) 16.432 3.441 ( 6.720 -3.831 12.881) 15.025 3.677 ( 4.211 4.661 -1.085) 6.375 3.805 ( 2.377 5.658 5.235) 8.067 4.188 ( 7.305 3.365 1.807) 8.243 4.297 ( 5.655 7.514 2.020) 9.619 4.499 ( 4.072 -3.559 0.063) 5.409 4.548 ( -0.869 3.191 -2.257) 4.004 4.829 ( -7.548 -6.291 7.390) 12.295 4.995 ( 9.549 -1.746 -5.508) 11.161 5.313 ( 9.780 -5.965 -8.975) 14.552 5.405 ( 11.841 -4.591 -16.900) 21.140 5.581 ( -5.493 0.875 1.259) 5.703 5.851 ( -8.312 1.480 0.243) 8.446 5.963 ( -10.649 -5.225 1.848) 12.005 6.337 ( -2.576 2.298 14.526) 14.931 6.865 ( 5.231 0.586 -3.933) 6.571 7.073 ( -11.042 1.739 -7.770) 13.613 7.350 ( 1.014 2.404 6.478) 6.983 7.377 ( -0.825 0.705 -1.235) 1.644 12.770 ( 1.181 0.616 0.537) 1.436 12.833 ( -0.218 -0.048 0.220) 0.313 13.466 ( 1.244 0.062 -1.883) 2.257 13.828 ( -2.546 0.207 1.787) 3.117 17.420 ( -0.137 -0.014 -0.863) 0.874 17.663 ( -0.736 -1.695 2.740) 3.305 17.750 ( -1.832 1.934 -2.023) 3.346 17.845 ( -0.869 -2.735 -1.727) 3.350 18.457 ( 2.160 0.515 -0.765) 2.348 18.611 ( 1.406 -0.470 0.295) 1.512 28.226 ( -0.865 0.060 0.088) 0.872 28.234 ( 0.992 -0.104 0.182) 1.014 31.516 ( 2.351 1.066 0.697) 2.674 31.892 ( -7.618 -4.375 -0.025) 8.785 32.046 ( -3.785 -2.981 -3.120) 5.740 32.374 ( 11.661 0.639 11.531) 16.412 33.049 ( 6.699 16.564 -6.329) 18.955 34.239 ( -7.254 -9.818 -1.650) 12.318 ======================= Grid point 271 (111/216) ======================= q-point: (-0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 11.281 -0.582 -7.021) 13.300 1.960 ( 12.829 -5.286 -17.377) 22.237 3.073 ( -3.338 3.054 5.988) 7.505 3.108 ( -5.379 -0.527 -0.452) 5.423 3.163 ( 14.540 -1.668 11.578) 18.662 3.528 ( 0.138 1.564 14.710) 14.794 3.659 ( 5.497 7.206 -0.959) 9.114 3.810 ( 10.882 2.980 8.348) 14.035 4.021 ( 10.677 -10.897 0.061) 15.256 4.190 ( 9.111 -0.578 -11.043) 14.328 4.438 ( 6.273 12.068 0.657) 13.617 4.560 ( -0.408 5.185 -3.204) 6.108 4.811 ( 4.688 -2.957 -2.830) 6.223 4.923 ( 2.232 -5.789 -2.043) 6.532 5.035 ( 9.093 -6.157 -18.030) 21.111 5.092 ( -5.422 -4.022 -5.245) 8.549 5.764 ( -9.625 0.217 7.344) 12.109 5.950 ( -4.664 0.579 -1.581) 4.959 6.095 ( -7.708 -1.783 2.627) 8.336 6.393 ( 7.932 2.115 1.695) 8.382 6.855 ( -3.006 -0.582 10.356) 10.799 7.178 ( -7.627 0.040 -7.243) 10.518 7.377 ( -2.262 0.333 -5.168) 5.651 7.503 ( -6.314 3.189 13.877) 15.575 12.761 ( 1.224 0.279 1.103) 1.671 12.849 ( -1.438 0.071 0.383) 1.490 13.430 ( 1.275 -0.028 -2.185) 2.530 13.890 ( -3.022 0.508 1.813) 3.560 17.414 ( -0.064 -0.023 -1.339) 1.341 17.677 ( 0.121 -0.799 2.969) 3.077 17.777 ( -1.355 2.079 -2.221) 3.330 17.825 ( -1.444 -2.699 -1.860) 3.582 18.418 ( 2.493 -0.172 -0.625) 2.576 18.585 ( 1.210 -0.285 -0.567) 1.367 28.221 ( 0.630 -0.068 -0.073) 0.638 28.237 ( -0.295 0.053 0.093) 0.314 31.509 ( 1.028 1.095 0.927) 1.765 31.940 ( -3.603 -5.018 0.727) 6.220 32.093 ( -5.010 0.874 -1.435) 5.284 32.279 ( 9.054 -0.049 7.661) 11.861 33.023 ( 5.838 9.148 -6.405) 12.601 34.273 ( -6.939 -5.566 0.407) 8.905 ======================= Grid point 272 (112/216) ======================= q-point: (-0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 16.755 -0.000 -19.946) 26.049 1.595 ( 16.117 -0.000 -4.016) 16.609 2.964 ( 22.299 0.000 17.782) 28.521 3.087 ( -0.902 -0.000 -6.396) 6.459 3.276 ( -0.950 0.000 1.977) 2.193 3.384 ( 26.841 -0.000 1.762) 26.898 3.540 ( 12.596 0.000 3.975) 13.208 3.704 ( -1.421 0.000 -0.136) 1.428 3.851 ( 13.960 -0.000 -23.983) 27.750 3.953 ( 2.982 0.000 15.251) 15.540 4.466 ( -2.818 0.000 0.348) 2.840 4.639 ( 0.101 -0.000 -9.049) 9.049 4.742 ( 0.744 0.000 3.014) 3.105 4.800 ( -5.615 -0.000 -13.372) 14.503 4.806 ( 0.885 -0.000 -1.158) 1.457 5.208 ( -7.740 0.000 -0.444) 7.753 5.928 ( -4.458 0.000 1.992) 4.883 6.035 ( -6.966 0.000 4.575) 8.334 6.140 ( 8.327 -0.000 1.520) 8.464 6.272 ( 0.420 -0.000 -3.327) 3.353 7.027 ( -4.869 0.000 14.675) 15.462 7.234 ( -4.265 0.000 -0.623) 4.310 7.379 ( -2.866 -0.000 -4.579) 5.402 7.742 ( -10.771 0.000 7.015) 12.853 12.753 ( 1.197 0.000 1.509) 1.926 12.882 ( -2.324 0.000 0.354) 2.351 13.397 ( 1.135 -0.000 -1.821) 2.146 13.952 ( -3.008 0.000 1.357) 3.300 17.402 ( -0.001 -0.000 -1.860) 1.860 17.686 ( 0.902 0.000 2.311) 2.481 17.796 ( -0.744 -0.000 -1.727) 1.880 17.818 ( -2.219 -0.000 -1.650) 2.766 18.368 ( 3.151 -0.000 -0.560) 3.200 18.562 ( 0.776 -0.000 -1.048) 1.304 28.216 ( -0.184 -0.000 -0.144) 0.233 28.236 ( 0.540 -0.000 0.012) 0.540 31.507 ( 0.522 -0.000 0.123) 0.536 31.909 ( 5.879 -0.000 0.896) 5.947 32.159 ( -2.690 0.000 -0.084) 2.691 32.248 ( -0.854 0.000 3.223) 3.334 32.957 ( 2.106 -0.000 -4.896) 5.330 34.351 ( -5.162 0.000 1.878) 5.493 ======================= Grid point 273 (113/216) ======================= q-point: ( 0.00 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 20.982 -0.000 0.000) 20.982 1.564 ( 16.141 -0.000 0.000) 16.141 3.038 ( -1.304 0.000 -0.000) 1.304 3.158 ( 7.188 -0.000 0.000) 7.188 3.246 ( 39.959 -0.000 0.000) 39.959 3.509 ( -0.539 0.000 -0.000) 0.539 3.539 ( 19.586 -0.000 0.000) 19.586 3.565 ( 13.885 -0.000 0.000) 13.885 3.698 ( 1.257 -0.000 0.000) 1.257 4.147 ( 2.031 -0.000 0.000) 2.031 4.466 ( 4.479 -0.000 0.000) 4.479 4.481 ( -1.224 0.000 -0.000) 1.224 4.723 ( -12.068 0.000 -0.000) 12.068 4.768 ( 0.322 -0.000 0.000) 0.322 4.800 ( -0.925 0.000 -0.000) 0.925 5.203 ( -7.619 0.000 -0.000) 7.619 5.936 ( -2.121 0.000 -0.000) 2.121 6.080 ( -10.139 0.000 -0.000) 10.139 6.156 ( 14.284 -0.000 0.000) 14.284 6.241 ( -5.242 0.000 -0.000) 5.242 7.179 ( -1.874 0.000 -0.000) 1.874 7.220 ( -8.800 0.000 -0.000) 8.800 7.306 ( -7.076 0.000 -0.000) 7.076 7.801 ( -7.330 0.000 -0.000) 7.330 12.766 ( 0.924 -0.000 0.000) 0.924 12.884 ( -2.372 0.000 -0.000) 2.372 13.383 ( 1.267 -0.000 0.000) 1.267 13.962 ( -3.047 0.000 -0.000) 3.047 17.386 ( 0.444 -0.000 0.000) 0.444 17.705 ( 1.383 -0.000 0.000) 1.383 17.783 ( -0.662 0.000 -0.000) 0.662 17.804 ( -2.689 0.000 -0.000) 2.689 18.364 ( 3.248 -0.000 0.000) 3.248 18.554 ( 1.053 -0.000 0.000) 1.053 28.214 ( -0.165 0.000 -0.000) 0.165 28.236 ( 0.585 -0.000 0.000) 0.585 31.509 ( 1.035 -0.000 0.000) 1.035 31.915 ( 6.097 -0.000 0.000) 6.097 32.158 ( -3.115 0.000 -0.000) 3.115 32.274 ( 0.387 -0.000 0.000) 0.387 32.921 ( 2.130 -0.000 0.000) 2.130 34.364 ( -6.321 0.000 -0.000) 6.321 ======================= Grid point 277 (114/216) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.000 18.648 18.570) 26.317 1.523 ( -0.000 21.944 23.240) 31.963 2.416 ( 0.000 26.729 35.515) 44.450 2.714 ( 0.000 14.705 -2.231) 14.873 2.714 ( 0.000 13.954 -1.316) 14.016 3.306 ( -0.000 11.478 7.861) 13.912 3.567 ( -0.000 -3.902 -16.762) 17.211 3.716 ( -0.000 16.251 14.844) 22.010 3.792 ( 0.000 -2.264 1.468) 2.698 4.281 ( 0.000 -7.522 15.238) 16.993 4.430 ( 0.000 -12.975 2.557) 13.224 4.611 ( 0.000 -7.554 -1.001) 7.620 4.816 ( 0.000 -5.965 3.997) 7.180 5.064 ( 0.000 -4.901 2.090) 5.328 5.117 ( 0.000 0.311 9.924) 9.929 5.361 ( -0.000 -2.450 -3.687) 4.427 5.560 ( -0.000 4.950 1.172) 5.086 5.958 ( -0.000 11.750 -12.776) 17.357 6.279 ( -0.000 2.052 0.086) 2.054 6.378 ( -0.000 9.844 -14.669) 17.666 6.775 ( -0.000 3.934 -3.619) 5.345 7.017 ( -0.000 0.251 -13.401) 13.403 7.316 ( -0.000 0.144 -13.233) 13.234 8.275 ( 0.000 -17.119 1.734) 17.207 12.760 ( 0.000 0.880 1.668) 1.886 12.974 ( 0.000 -0.898 -0.822) 1.217 13.407 ( 0.000 1.521 2.525) 2.948 13.938 ( 0.000 -4.220 -2.547) 4.929 17.449 ( 0.000 -2.130 -1.601) 2.665 17.499 ( 0.000 -1.062 1.363) 1.728 17.692 ( 0.000 -2.476 4.777) 5.381 17.967 ( -0.000 -0.053 -0.525) 0.528 18.549 ( -0.000 4.531 -2.168) 5.023 18.580 ( -0.000 1.518 0.089) 1.520 28.188 ( 0.000 0.000 0.689) 0.689 28.258 ( 0.000 -0.306 -0.117) 0.328 31.570 ( 0.000 -7.430 8.410) 11.222 31.800 ( -0.000 8.075 2.305) 8.398 32.277 ( 0.000 -3.810 -3.061) 4.887 32.512 ( -0.000 4.243 -8.646) 9.631 33.062 ( 0.000 -0.621 9.055) 9.076 34.196 ( -0.000 1.598 -10.690) 10.809 ======================= Grid point 278 (115/216) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -12.029 18.139 15.199) 26.546 1.903 ( -2.223 16.894 22.860) 28.511 2.613 ( 7.441 10.599 0.209) 12.952 2.931 ( -1.148 14.565 19.226) 24.148 3.039 ( -12.659 9.129 3.890) 16.085 3.436 ( 0.811 4.851 -8.789) 10.072 3.495 ( -3.192 12.272 5.791) 13.940 3.681 ( 2.217 2.321 -6.436) 7.192 4.106 ( -4.819 11.847 22.129) 25.559 4.221 ( 10.518 -5.556 9.745) 15.377 4.275 ( 3.539 -12.598 8.381) 15.539 4.562 ( -2.208 -2.378 -1.289) 3.492 4.766 ( 5.319 -1.867 6.408) 8.534 5.157 ( -3.748 -5.060 2.859) 6.916 5.229 ( -11.986 -4.641 3.537) 13.331 5.331 ( -3.531 -3.829 0.880) 5.282 5.609 ( -0.425 2.035 0.602) 2.164 5.914 ( 6.491 8.440 -10.759) 15.137 6.205 ( 6.507 2.716 0.015) 7.051 6.385 ( 1.233 3.633 -5.853) 6.998 6.834 ( -5.667 3.589 -8.256) 10.637 6.907 ( 0.328 1.745 -14.466) 14.575 7.236 ( -1.805 0.935 -12.493) 12.657 8.056 ( 7.661 -13.265 -4.018) 15.837 12.773 ( 1.064 1.227 1.681) 2.338 12.949 ( 1.201 -0.980 -0.931) 1.808 13.443 ( 0.021 1.733 3.088) 3.541 13.875 ( 0.355 -4.196 -2.784) 5.048 17.420 ( -0.294 -1.208 -1.458) 1.916 17.522 ( -2.748 -0.360 -0.700) 2.858 17.703 ( -0.404 -3.350 4.470) 5.601 17.955 ( 0.307 -0.945 -0.923) 1.356 18.541 ( 2.768 3.452 -1.010) 4.538 18.619 ( -1.532 1.578 0.442) 2.243 28.196 ( -0.272 -0.056 0.578) 0.641 28.252 ( 0.128 -0.236 0.046) 0.272 31.568 ( -1.473 -6.049 5.786) 8.499 31.879 ( 3.188 8.359 1.662) 9.099 32.199 ( -0.867 -6.786 -4.495) 8.186 32.470 ( 2.551 5.086 -6.290) 8.482 33.075 ( 7.807 3.507 9.321) 12.654 34.183 ( -6.826 -2.105 -9.393) 11.801 ======================= Grid point 279 (116/216) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -2.895 19.516 13.171) 23.722 2.227 ( -10.541 6.261 13.784) 18.447 2.610 ( 1.549 4.073 0.606) 4.399 2.979 ( 4.817 -3.832 -0.951) 6.228 3.211 ( -0.731 3.124 -1.313) 3.467 3.526 ( 2.467 9.985 8.767) 13.515 3.703 ( -3.448 12.635 3.098) 13.459 3.773 ( -5.775 8.945 5.301) 11.894 4.052 ( 7.504 -7.813 9.176) 14.196 4.230 ( -2.132 0.561 7.911) 8.212 4.430 ( -2.362 3.004 14.111) 14.619 4.562 ( 1.815 3.200 -2.942) 4.710 4.764 ( 4.213 2.158 11.991) 12.892 5.177 ( -1.168 2.670 3.939) 4.900 5.299 ( -8.804 -10.308 -4.980) 14.442 5.415 ( -3.168 -3.043 4.408) 6.223 5.638 ( -5.113 -2.444 -1.021) 5.758 5.815 ( 5.063 3.000 -0.818) 5.941 6.125 ( 6.104 -0.048 -3.775) 7.177 6.307 ( 6.597 2.011 -4.784) 8.393 6.782 ( -0.369 1.495 -11.264) 11.369 6.937 ( -6.344 4.758 -10.530) 13.182 7.207 ( -3.351 1.422 -9.616) 10.282 7.771 ( 9.987 -9.040 -5.482) 14.544 12.778 ( 1.280 1.503 1.385) 2.412 12.908 ( 1.865 -0.837 -0.990) 2.271 13.480 ( 0.221 1.464 3.001) 3.347 13.816 ( 0.081 -3.384 -2.429) 4.167 17.411 ( -0.652 -0.321 -1.337) 1.522 17.561 ( -3.501 0.120 -1.556) 3.833 17.708 ( -0.596 -3.693 3.829) 5.353 17.927 ( 0.466 -1.918 -1.458) 2.454 18.522 ( 2.613 2.857 -0.975) 3.992 18.651 ( -0.414 0.792 1.106) 1.422 28.200 ( -0.110 -0.277 0.071) 0.307 28.254 ( -0.135 0.065 0.532) 0.553 31.593 ( -3.075 -3.828 3.820) 6.220 31.841 ( 6.956 2.047 -2.887) 7.804 32.127 ( -2.159 -6.960 -4.219) 8.420 32.485 ( 1.067 8.749 1.509) 8.943 33.040 ( 10.553 7.482 6.413) 14.439 34.198 ( -7.680 -5.691 -8.037) 12.488 ======================= Grid point 280 (117/216) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 3.383 -1.836 1.396) 4.094 2.565 ( -6.587 11.449 4.847) 14.070 2.666 ( -3.278 0.375 3.402) 4.739 2.835 ( 6.227 -2.271 2.693) 7.154 3.232 ( 1.241 9.380 -2.043) 9.680 3.604 ( 4.752 6.624 7.244) 10.905 3.808 ( 1.056 1.614 4.562) 4.953 3.895 ( 5.524 -4.732 16.177) 17.737 4.104 ( -9.295 4.315 5.739) 11.745 4.323 ( 6.023 9.888 3.719) 12.161 4.501 ( 3.128 1.989 -1.141) 3.879 4.578 ( -1.033 2.736 4.049) 4.995 4.791 ( 1.475 -0.691 10.583) 10.708 5.188 ( 3.360 -0.464 -1.919) 3.897 5.365 ( -2.906 -1.091 -3.655) 4.796 5.478 ( -9.942 0.223 6.067) 11.649 5.691 ( -6.030 -6.191 -1.231) 8.729 5.797 ( 1.589 -0.674 0.119) 1.730 5.928 ( 10.540 -3.341 -9.161) 14.359 6.206 ( 2.462 1.904 0.906) 3.242 6.774 ( -4.592 1.143 -5.363) 7.152 6.969 ( -1.932 4.160 -10.609) 11.558 7.216 ( -3.914 1.324 -7.160) 8.266 7.535 ( 7.658 -4.351 -2.358) 9.118 12.782 ( 1.146 1.401 0.985) 2.061 12.866 ( 1.737 -0.504 -0.821) 1.986 13.499 ( 0.954 0.521 1.545) 1.889 13.784 ( -0.971 -1.717 -1.020) 2.221 17.412 ( -0.478 0.155 -0.953) 1.077 17.608 ( -3.550 0.441 -1.512) 3.884 17.712 ( -0.711 -3.032 3.051) 4.360 17.887 ( 0.163 -2.691 -1.845) 3.267 18.499 ( 2.325 2.149 -0.981) 3.314 18.660 ( 0.826 0.018 1.127) 1.397 28.201 ( -0.496 -0.213 -0.085) 0.547 28.259 ( 0.300 0.111 0.583) 0.665 31.627 ( 1.583 -0.715 2.694) 3.205 31.733 ( -0.716 -2.384 -4.123) 4.816 32.066 ( -2.779 -7.789 -4.103) 9.232 32.587 ( 3.507 9.709 8.675) 13.484 32.987 ( 10.943 11.752 1.045) 16.091 34.195 ( -7.735 -8.860 -6.474) 13.425 ======================= Grid point 281 (118/216) ======================= q-point: ( 0.73 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 3.157 -8.454 -4.790) 10.217 2.440 ( 12.283 -4.667 -8.535) 15.669 2.860 ( -6.827 8.088 0.617) 10.603 2.909 ( -1.909 3.270 13.522) 14.042 3.322 ( -1.627 8.459 1.791) 8.799 3.619 ( 6.964 7.443 5.129) 11.411 3.785 ( 7.302 -2.120 8.166) 11.158 3.904 ( 3.018 -2.551 14.978) 15.491 4.273 ( 5.631 6.045 4.411) 9.366 4.331 ( 6.009 11.797 6.759) 14.865 4.459 ( -2.965 -1.511 -4.306) 5.442 4.582 ( 1.861 -3.412 1.796) 4.281 4.849 ( -1.606 -2.050 0.983) 2.783 5.094 ( 7.962 0.856 -3.027) 8.561 5.368 ( -4.262 -0.617 -5.140) 6.706 5.533 ( 13.268 -3.542 -8.604) 16.205 5.592 ( 8.668 -3.062 -7.223) 11.691 5.709 ( -7.736 -1.255 -0.657) 7.864 5.851 ( -11.633 -6.902 -0.013) 13.527 6.344 ( -5.539 4.717 13.446) 15.288 6.849 ( -7.614 0.395 -2.957) 8.178 6.917 ( 2.885 2.162 -6.842) 7.734 7.241 ( -4.706 0.949 -7.567) 8.961 7.438 ( 2.695 0.482 2.695) 3.841 12.782 ( 1.018 1.001 0.611) 1.553 12.838 ( 0.834 -0.093 -0.333) 0.903 13.482 ( 1.666 -0.394 -0.286) 1.735 13.800 ( -2.152 -0.047 0.545) 2.221 17.413 ( -0.148 0.181 -0.611) 0.654 17.655 ( -2.979 0.416 -0.705) 3.089 17.720 ( -0.657 -1.538 1.962) 2.578 17.848 ( -0.526 -3.130 -1.957) 3.729 18.475 ( 2.041 1.337 -0.775) 2.560 18.644 ( 1.746 -0.396 0.617) 1.894 28.211 ( -0.958 -0.015 -0.009) 0.958 28.253 ( 0.983 0.002 0.338) 1.039 31.565 ( 4.854 1.106 0.443) 4.998 31.789 ( -8.433 -2.336 -0.432) 8.761 32.012 ( -4.224 -8.666 -4.134) 10.490 32.628 ( 11.190 5.060 12.162) 17.284 32.960 ( 8.141 17.408 -4.058) 19.641 34.188 ( -8.715 -10.842 -4.490) 14.617 ======================= Grid point 282 (119/216) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 5.390 -6.579 -3.768) 9.302 2.115 ( 14.173 -5.016 -10.229) 18.184 2.980 ( -3.207 2.817 -1.845) 4.650 3.056 ( -4.256 0.518 7.258) 8.430 3.438 ( 1.271 6.146 7.051) 9.440 3.624 ( 8.693 10.097 7.472) 15.276 3.703 ( 7.407 -1.364 8.372) 11.261 3.969 ( 3.701 2.337 15.459) 16.066 4.185 ( 9.073 2.376 -3.208) 9.913 4.324 ( 8.378 -1.088 0.284) 8.453 4.478 ( 1.918 4.231 -4.930) 6.774 4.507 ( 6.617 1.547 0.658) 6.827 4.839 ( -0.524 1.974 -5.934) 6.276 4.951 ( 0.999 -6.028 0.526) 6.133 5.115 ( 15.601 -3.653 -18.090) 24.166 5.220 ( 10.486 -11.780 -4.048) 16.282 5.636 ( -10.931 2.489 4.357) 12.027 5.833 ( -7.486 0.411 -2.063) 7.776 5.986 ( -11.836 -5.154 1.112) 12.957 6.497 ( 5.127 4.730 5.321) 8.774 6.894 ( -2.134 -0.551 8.510) 8.791 6.969 ( -10.215 0.450 -5.410) 11.568 7.258 ( -4.888 0.350 -9.854) 11.005 7.494 ( -2.354 3.646 7.068) 8.294 12.778 ( 0.918 0.637 0.538) 1.240 12.835 ( -0.423 0.141 0.068) 0.451 13.445 ( 1.791 -0.470 -0.980) 2.095 13.849 ( -2.835 0.664 0.964) 3.067 17.409 ( 0.191 -0.045 -0.609) 0.640 17.695 ( -1.640 0.022 1.038) 1.941 17.732 ( -0.660 0.286 0.047) 0.721 17.818 ( -1.277 -3.311 -1.784) 3.971 18.448 ( 2.026 0.456 -0.444) 2.123 18.612 ( 2.040 -0.395 -0.017) 2.078 28.227 ( -0.900 0.101 0.047) 0.906 28.236 ( 1.215 -0.083 0.088) 1.221 31.530 ( 2.864 2.494 0.988) 3.924 31.901 ( -8.660 -5.093 1.344) 10.136 31.990 ( -6.057 -4.717 -4.071) 8.690 32.526 ( 14.996 2.470 8.196) 17.267 32.975 ( 7.515 16.135 -3.545) 18.149 34.208 ( -9.657 -9.871 -2.158) 13.977 ======================= Grid point 283 (120/216) ======================= q-point: (-0.09 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 17.811 -1.283 -5.268) 18.618 1.799 ( 9.846 -5.764 -4.166) 12.146 3.014 ( -3.183 -0.600 -2.815) 4.291 3.158 ( -4.386 -0.997 1.679) 4.802 3.464 ( 13.748 5.269 20.212) 25.006 3.628 ( 12.372 14.971 0.911) 19.443 3.673 ( 1.678 -2.632 4.214) 5.245 3.905 ( 16.883 0.349 -18.371) 24.953 3.966 ( 15.320 -14.787 2.420) 21.429 4.111 ( 3.854 -0.639 9.830) 10.578 4.447 ( 6.842 15.359 0.571) 16.824 4.530 ( -1.705 4.238 0.419) 4.588 4.680 ( 11.127 1.579 -15.438) 19.096 4.821 ( 1.935 -3.026 -4.253) 5.567 4.931 ( 3.867 -17.433 0.681) 17.870 5.063 ( -10.334 -1.815 -0.727) 10.517 5.862 ( -8.862 0.298 5.378) 10.370 5.920 ( -7.276 0.592 -2.593) 7.747 6.127 ( -8.953 -1.590 1.372) 9.196 6.375 ( 13.126 2.056 -1.769) 13.403 7.059 ( -5.291 -0.387 14.545) 15.482 7.090 ( -9.520 0.179 -3.609) 10.182 7.258 ( -5.156 0.111 -10.647) 11.830 7.652 ( -6.566 3.305 5.453) 9.153 12.774 ( 0.807 0.414 0.574) 1.074 12.852 ( -1.541 0.102 0.116) 1.549 13.409 ( 1.578 -0.163 -0.749) 1.755 13.908 ( -3.128 0.614 0.625) 3.248 17.398 ( 0.437 -0.187 -0.661) 0.814 17.716 ( 0.533 -0.222 2.037) 2.117 17.751 ( -1.328 1.939 -1.369) 2.720 17.800 ( -1.854 -3.377 -1.142) 4.018 18.412 ( 2.513 -0.251 -0.199) 2.533 18.578 ( 1.741 -0.205 -0.314) 1.781 28.220 ( 0.744 -0.076 -0.030) 0.749 28.238 ( -0.263 0.087 0.031) 0.279 31.522 ( 1.966 1.896 0.554) 2.787 31.947 ( -4.703 -6.664 0.288) 8.161 32.073 ( -6.963 0.952 -0.934) 7.089 32.365 ( 12.198 1.218 3.297) 12.694 32.960 ( 6.532 8.770 -2.149) 11.145 34.271 ( -8.817 -5.549 -0.304) 10.422 ======================= Grid point 289 (121/216) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.000 16.655 19.296) 25.490 1.837 ( -0.000 25.542 20.101) 32.503 2.639 ( -0.000 11.073 -3.356) 11.570 2.677 ( -0.000 19.049 -1.277) 19.092 3.042 ( 0.000 13.168 37.525) 39.769 3.341 ( -0.000 1.331 -11.591) 11.667 3.386 ( -0.000 8.205 -0.434) 8.217 3.643 ( -0.000 2.423 -3.522) 4.275 4.153 ( 0.000 8.286 28.092) 29.289 4.472 ( 0.000 -11.350 3.528) 11.886 4.480 ( 0.000 -10.626 11.175) 15.421 4.583 ( 0.000 -6.150 -2.212) 6.536 4.915 ( 0.000 -6.283 8.852) 10.855 5.110 ( 0.000 -3.757 4.639) 5.969 5.268 ( 0.000 -0.358 8.820) 8.827 5.302 ( -0.000 -2.097 -3.609) 4.174 5.584 ( -0.000 6.432 1.636) 6.637 5.777 ( -0.000 10.754 -9.501) 14.350 6.273 ( -0.000 5.927 -2.651) 6.493 6.279 ( -0.000 2.404 -0.147) 2.409 6.705 ( -0.000 3.101 -5.954) 6.713 6.784 ( -0.000 1.031 -17.460) 17.490 7.106 ( -0.000 1.709 -13.808) 13.914 8.164 ( -0.000 -11.029 -15.425) 18.963 12.791 ( 0.000 0.477 2.496) 2.542 12.958 ( -0.000 -0.689 -1.294) 1.466 13.464 ( 0.000 0.054 5.034) 5.034 13.891 ( 0.000 -3.759 -3.848) 5.380 17.427 ( 0.000 -2.403 -1.190) 2.681 17.497 ( 0.000 -1.135 -1.222) 1.668 17.770 ( 0.000 -3.447 5.279) 6.305 17.958 ( -0.000 -0.272 -0.765) 0.812 18.523 ( -0.000 5.848 -1.253) 5.980 18.577 ( -0.000 1.825 -0.534) 1.902 28.200 ( 0.000 -0.031 0.898) 0.899 28.255 ( 0.000 -0.275 -0.277) 0.390 31.695 ( 0.000 -10.988 8.244) 13.737 31.847 ( -0.000 8.176 4.236) 9.209 32.219 ( 0.000 -6.410 -4.846) 8.036 32.382 ( -0.000 4.837 -8.698) 9.952 33.203 ( 0.000 0.825 10.060) 10.094 34.033 ( -0.000 3.502 -11.246) 11.779 ======================= Grid point 290 (122/216) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -7.532 17.502 15.478) 24.548 2.216 ( -1.781 16.470 19.914) 25.904 2.580 ( 6.946 10.668 -3.441) 13.187 3.018 ( -12.223 4.559 0.158) 13.046 3.117 ( 1.017 -1.845 -5.067) 5.487 3.433 ( -1.681 15.112 -9.405) 17.878 3.537 ( 0.052 16.033 18.677) 24.615 3.690 ( -1.029 4.984 7.155) 8.781 4.307 ( 5.938 -1.848 5.304) 8.174 4.369 ( 6.521 -9.927 12.178) 17.011 4.528 ( -2.806 -0.214 3.170) 4.239 4.555 ( -1.161 -2.125 20.913) 21.052 4.886 ( 3.368 -0.525 8.965) 9.591 5.167 ( -4.156 -5.001 1.136) 6.600 5.255 ( -1.682 -4.139 -0.320) 4.479 5.384 ( -7.062 -2.523 3.540) 8.293 5.608 ( 1.983 3.260 -1.389) 4.061 5.795 ( 0.508 5.742 -5.737) 8.133 6.202 ( 7.153 2.596 -0.393) 7.620 6.329 ( 1.956 2.833 -2.742) 4.401 6.671 ( -0.826 1.278 -13.588) 13.673 6.727 ( -4.875 3.968 -9.290) 11.217 7.065 ( -2.744 2.850 -8.546) 9.418 7.903 ( 5.504 -8.711 -15.768) 18.836 12.803 ( 1.376 0.789 2.351) 2.836 12.932 ( 1.242 -0.690 -1.387) 1.985 13.503 ( 0.100 0.345 4.894) 4.907 13.826 ( 0.131 -3.477 -3.916) 5.239 17.402 ( -0.259 -1.363 -0.933) 1.672 17.501 ( -2.512 -0.376 -1.925) 3.187 17.773 ( -0.146 -4.136 4.718) 6.276 17.939 ( 0.422 -1.396 -1.273) 1.935 18.527 ( 2.881 3.738 -0.828) 4.791 18.621 ( -2.161 2.259 -0.157) 3.130 28.205 ( 0.164 -0.180 0.585) 0.634 28.253 ( -0.290 -0.099 -0.031) 0.308 31.655 ( -1.001 -9.268 5.864) 11.013 31.911 ( 6.524 6.522 2.392) 9.530 32.121 ( -3.011 -8.690 -5.600) 10.768 32.386 ( -0.298 8.893 -5.056) 10.234 33.216 ( 9.130 2.971 9.691) 13.642 34.038 ( -7.626 -0.475 -10.058) 12.631 ======================= Grid point 291 (123/216) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -5.636 19.189 10.873) 22.764 2.390 ( 1.883 -3.802 8.311) 9.331 2.615 ( -2.550 7.215 -0.253) 7.657 2.962 ( 5.713 -0.321 -0.605) 5.754 3.152 ( -0.367 2.992 -5.644) 6.399 3.674 ( 3.810 10.140 7.872) 13.391 3.722 ( -11.322 15.444 0.461) 19.155 3.842 ( -6.682 3.250 4.461) 8.666 4.176 ( 8.260 -4.655 5.330) 10.877 4.394 ( 3.359 2.765 13.901) 14.567 4.534 ( 1.816 3.973 2.543) 5.055 4.641 ( 3.678 -3.605 12.337) 13.369 4.960 ( 7.111 0.605 12.399) 14.306 5.214 ( -8.639 -5.341 -3.527) 10.752 5.240 ( -1.261 2.296 4.400) 5.120 5.443 ( -2.275 -3.449 -2.893) 5.044 5.606 ( -5.424 -2.996 -3.595) 7.163 5.802 ( 0.262 3.377 -2.208) 4.043 6.071 ( 10.456 -0.092 -2.388) 10.725 6.250 ( 5.710 1.785 -2.288) 6.405 6.650 ( -5.180 0.206 -6.954) 8.674 6.779 ( -5.604 4.722 -11.129) 13.325 7.106 ( -3.227 2.665 -1.881) 4.588 7.640 ( 5.617 -5.644 -11.677) 14.133 12.803 ( 1.706 1.034 1.854) 2.723 12.891 ( 1.840 -0.442 -1.346) 2.323 13.531 ( 0.889 -0.119 3.640) 3.749 13.775 ( -0.634 -2.173 -2.912) 3.688 17.395 ( -0.482 -0.040 -0.751) 0.893 17.534 ( -3.661 0.101 -1.913) 4.132 17.768 ( -0.201 -4.351 4.064) 5.957 17.902 ( 0.422 -2.473 -1.889) 3.141 18.508 ( 2.658 2.793 -0.850) 3.949 18.663 ( -0.802 1.244 0.442) 1.545 28.201 ( 0.159 -0.356 0.059) 0.395 28.261 ( -0.356 0.188 0.362) 0.541 31.649 ( -3.000 -5.949 3.634) 7.589 31.803 ( 8.441 -0.686 -2.207) 8.751 32.064 ( -2.759 -7.299 -4.016) 8.776 32.504 ( -2.000 14.278 1.072) 14.457 33.141 ( 12.834 4.972 6.778) 15.342 34.079 ( -8.842 -4.846 -7.671) 12.669 ======================= Grid point 292 (124/216) ======================= q-point: ( 0.73 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 3.823 -13.047 0.188) 13.597 2.608 ( 8.117 -1.396 -2.762) 8.687 2.658 ( -6.320 14.945 3.333) 16.565 2.944 ( 1.158 4.937 6.687) 8.393 3.188 ( -1.741 9.914 -3.020) 10.509 3.686 ( 6.557 5.748 3.611) 9.437 3.902 ( -4.175 -2.257 7.268) 8.680 4.076 ( 6.244 -0.073 6.619) 9.100 4.164 ( -15.091 9.223 1.622) 17.761 4.389 ( 7.860 5.739 2.041) 9.943 4.546 ( 9.232 2.091 11.429) 14.840 4.673 ( 3.439 0.943 8.741) 9.441 4.863 ( 5.932 -1.264 -2.221) 6.459 5.195 ( 2.993 -1.703 3.900) 5.203 5.282 ( 0.393 -1.368 -8.831) 8.945 5.479 ( -7.817 2.269 -5.610) 9.886 5.676 ( -6.193 -6.444 -0.371) 8.945 5.730 ( 3.550 -1.537 -5.406) 6.647 5.849 ( 11.921 -4.021 -2.261) 12.783 6.295 ( -4.983 5.313 9.550) 12.011 6.710 ( -7.343 -0.843 -3.417) 8.143 6.819 ( -4.056 5.028 -10.168) 12.047 7.151 ( -1.391 -0.042 -0.827) 1.619 7.480 ( 2.432 -1.608 -4.507) 5.368 12.798 ( 1.503 0.939 1.091) 2.081 12.853 ( 1.529 -0.015 -0.896) 1.772 13.520 ( 1.936 -1.040 1.195) 2.501 13.770 ( -1.860 -0.349 -0.787) 2.050 17.401 ( -0.306 0.657 -0.455) 0.856 17.584 ( -3.901 0.594 -1.363) 4.175 17.761 ( -0.177 -3.669 3.247) 4.903 17.857 ( -0.161 -3.224 -2.155) 3.881 18.486 ( 2.234 2.062 -0.678) 3.114 18.672 ( 0.861 0.190 0.486) 1.007 28.200 ( -0.488 -0.210 -0.037) 0.533 28.266 ( 0.370 0.179 0.300) 0.509 31.652 ( 6.495 -0.244 0.037) 6.500 31.701 ( -5.376 -3.345 0.193) 6.334 32.008 ( -3.966 -9.810 -3.429) 11.123 32.687 ( 1.116 17.105 4.552) 17.735 33.015 ( 14.497 6.467 2.332) 16.044 34.106 ( -9.171 -8.892 -4.956) 13.702 ======================= Grid point 293 (125/216) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 1.913 -13.448 -1.368) 13.652 2.344 ( 15.581 -4.624 -3.704) 16.669 2.875 ( -2.506 11.525 0.881) 11.827 3.042 ( -2.037 2.890 4.350) 5.606 3.324 ( -6.193 7.315 -0.472) 9.597 3.658 ( 7.860 10.060 0.900) 12.798 3.937 ( 3.634 -3.735 8.298) 9.799 4.097 ( 1.793 3.811 9.459) 10.354 4.299 ( 11.063 6.491 0.553) 12.838 4.366 ( -0.711 2.545 -6.468) 6.987 4.500 ( 7.510 0.061 9.860) 12.394 4.631 ( 4.382 -2.086 6.602) 8.194 4.770 ( 0.407 -0.049 -8.637) 8.646 5.037 ( 7.049 -3.074 -7.236) 10.559 5.278 ( 11.386 2.038 -2.249) 11.783 5.415 ( 0.561 -1.745 -4.902) 5.233 5.552 ( 7.948 -5.570 -0.571) 9.722 5.700 ( -7.684 -0.828 -0.477) 7.743 5.852 ( -13.360 -7.713 0.093) 15.427 6.514 ( -2.325 7.211 7.194) 10.448 6.797 ( -7.138 0.055 -2.581) 7.590 6.881 ( -6.036 2.643 0.327) 6.598 7.134 ( -1.627 -2.258 -5.377) 6.055 7.466 ( -1.167 2.295 0.980) 2.754 12.790 ( 1.134 0.730 0.343) 1.392 12.834 ( 0.582 0.274 -0.204) 0.674 13.480 ( 2.205 -1.122 -0.078) 2.475 13.805 ( -2.545 0.592 0.196) 2.620 17.407 ( 0.074 0.506 -0.213) 0.554 17.642 ( -3.404 1.024 -0.608) 3.606 17.753 ( 0.134 -2.211 1.871) 2.899 17.820 ( -1.084 -3.704 -1.547) 4.158 18.467 ( 1.889 1.290 -0.318) 2.310 18.650 ( 2.036 -0.344 0.174) 2.072 28.211 ( -0.997 0.007 -0.002) 0.997 28.257 ( 1.116 0.042 0.112) 1.123 31.570 ( 4.614 1.939 0.139) 5.007 31.794 ( -7.845 -0.661 0.641) 7.899 31.960 ( -5.944 -12.149 -2.328) 13.724 32.782 ( 13.560 6.759 8.113) 17.187 32.897 ( 7.708 17.198 -4.567) 19.392 34.134 ( -10.269 -11.277 -2.157) 15.404 ======================= Grid point 294 (126/216) ======================= q-point: (-0.09 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 2.847 -9.722 0.000) 10.131 2.030 ( 17.733 -3.214 0.000) 18.022 2.965 ( -1.177 3.009 -0.000) 3.231 3.109 ( -3.466 -0.493 -0.000) 3.501 3.482 ( -5.385 5.752 -0.000) 7.879 3.653 ( 9.448 16.003 -0.000) 18.584 3.866 ( 6.710 -3.440 0.000) 7.540 4.081 ( 19.415 2.849 0.000) 19.623 4.157 ( 2.630 4.324 -0.000) 5.061 4.273 ( 6.660 -2.711 0.000) 7.191 4.453 ( 1.250 -1.749 0.000) 2.150 4.553 ( 10.969 2.433 0.000) 11.235 4.768 ( 1.305 5.449 -0.000) 5.603 4.887 ( 5.066 -3.434 0.000) 6.120 5.016 ( 8.574 -5.652 0.000) 10.269 5.192 ( 9.888 -13.649 0.000) 16.854 5.676 ( -13.076 3.532 -0.000) 13.544 5.811 ( -6.784 -0.320 -0.000) 6.792 5.994 ( -12.317 -5.156 0.000) 13.352 6.525 ( 9.735 4.965 -0.000) 10.928 6.922 ( -9.710 0.318 -0.000) 9.715 7.050 ( -8.997 1.324 -0.000) 9.094 7.109 ( -2.681 -1.985 0.000) 3.336 7.548 ( -4.381 4.138 -0.000) 6.026 12.783 ( 0.785 0.641 -0.000) 1.013 12.835 ( -0.499 0.226 -0.000) 0.548 13.437 ( 1.984 -0.649 0.000) 2.088 13.856 ( -2.930 0.813 -0.000) 3.041 17.404 ( 0.409 -0.011 0.000) 0.409 17.697 ( -2.482 1.424 -0.000) 2.862 17.741 ( 0.580 -0.825 0.000) 1.008 17.801 ( -1.743 -3.851 0.000) 4.227 18.445 ( 1.945 0.434 0.000) 1.993 18.612 ( 2.298 -0.365 0.000) 2.327 28.227 ( -0.909 0.117 -0.000) 0.916 28.237 ( 1.294 -0.073 0.000) 1.296 31.538 ( 3.126 3.262 -0.000) 4.518 31.931 ( -8.674 1.109 -0.000) 8.745 31.938 ( -7.216 -11.984 0.000) 13.989 32.591 ( 16.548 2.877 0.000) 16.797 32.948 ( 7.477 16.342 -0.000) 17.971 34.189 ( -10.662 -10.070 0.000) 14.666 ======================= Grid point 301 (127/216) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -0.000 15.439 17.830) 23.585 2.122 ( 0.000 26.439 17.826) 31.887 2.559 ( 0.000 12.967 -6.436) 14.477 2.672 ( -0.000 23.123 0.153) 23.123 3.123 ( 0.000 -4.431 -9.707) 10.670 3.253 ( 0.000 0.333 -14.056) 14.060 3.609 ( -0.000 8.550 27.699) 28.989 3.701 ( -0.000 4.351 8.130) 9.221 4.447 ( 0.000 -4.359 7.775) 8.914 4.511 ( -0.000 -3.266 -0.545) 3.311 4.615 ( 0.000 -8.737 10.870) 13.946 4.720 ( 0.000 -0.551 25.341) 25.347 5.027 ( 0.000 -8.277 5.362) 9.862 5.209 ( 0.000 -1.509 8.033) 8.173 5.238 ( 0.000 -3.389 -3.898) 5.165 5.361 ( -0.000 1.175 1.959) 2.285 5.573 ( 0.000 5.893 -5.196) 7.856 5.686 ( 0.000 5.997 -4.322) 7.392 6.255 ( 0.000 4.682 -0.418) 4.700 6.274 ( 0.000 2.840 -0.521) 2.887 6.533 ( -0.000 1.769 -14.808) 14.914 6.601 ( 0.000 2.392 -8.027) 8.375 6.974 ( 0.000 3.337 -1.256) 3.566 7.858 ( -0.000 -5.327 -24.785) 25.351 12.831 ( 0.000 0.213 2.730) 2.739 12.936 ( -0.000 -0.447 -1.782) 1.837 13.550 ( 0.000 -1.156 6.399) 6.503 13.825 ( -0.000 -3.225 -5.086) 6.023 17.416 ( 0.000 -2.481 -0.164) 2.486 17.472 ( -0.000 -1.495 -1.947) 2.455 17.840 ( -0.000 -2.989 4.079) 5.058 17.944 ( 0.000 -0.624 -1.125) 1.286 18.513 ( 0.000 5.473 0.025) 5.473 18.564 ( -0.000 2.310 -1.231) 2.618 28.214 ( 0.000 -0.075 0.971) 0.974 28.249 ( -0.000 -0.232 -0.498) 0.549 31.811 ( -0.000 -13.254 7.522) 15.239 31.926 ( -0.000 8.962 6.308) 10.959 32.134 ( -0.000 -9.964 -6.572) 11.936 32.258 ( 0.000 6.913 -8.159) 10.694 33.358 ( -0.000 1.815 10.890) 11.040 33.865 ( -0.000 3.755 -11.492) 12.091 ======================= Grid point 302 (128/216) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -3.331 16.955 13.279) 21.792 2.454 ( -2.889 14.663 4.194) 15.522 2.560 ( 7.564 9.561 8.719) 14.988 2.980 ( 4.160 2.083 -9.795) 10.844 3.030 ( -13.188 2.937 0.067) 13.511 3.249 ( -9.123 18.682 -12.418) 24.217 3.765 ( 2.813 3.071 8.233) 9.227 3.821 ( -1.218 3.567 8.491) 9.290 4.350 ( 7.109 -4.172 1.312) 8.346 4.497 ( 0.906 -0.839 -1.296) 1.789 4.634 ( 4.050 -1.839 21.665) 22.117 4.873 ( 7.213 -5.779 12.519) 15.561 5.041 ( -8.141 1.646 14.512) 16.720 5.205 ( 4.097 -1.979 2.958) 5.427 5.260 ( -2.526 -4.256 2.072) 5.365 5.384 ( -4.265 -3.092 -4.083) 6.664 5.533 ( 0.625 2.424 -10.052) 10.360 5.715 ( -2.362 5.636 -4.634) 7.669 6.199 ( 8.194 2.621 0.103) 8.604 6.289 ( 3.505 2.669 -2.842) 5.243 6.501 ( -4.581 1.688 -8.181) 9.527 6.592 ( -3.812 2.735 -8.673) 9.861 7.055 ( -2.232 3.154 8.209) 9.073 7.620 ( 1.739 -3.840 -21.385) 21.796 12.839 ( 1.549 0.362 2.451) 2.922 12.908 ( 1.254 -0.343 -1.816) 2.233 13.582 ( 0.607 -1.049 5.521) 5.652 13.761 ( -0.365 -2.545 -4.730) 5.384 17.394 ( 0.286 -1.085 -0.098) 1.126 17.472 ( -2.865 -0.900 -1.682) 3.442 17.837 ( 0.090 -3.807 3.776) 5.363 17.917 ( 0.429 -2.076 -1.803) 2.783 18.518 ( 2.975 3.400 -0.438) 4.539 18.616 ( -2.608 2.872 -0.337) 3.895 28.212 ( 0.671 -0.327 0.397) 0.846 28.252 ( -0.765 0.056 -0.074) 0.770 31.739 ( 0.474 -10.587 5.451) 11.917 31.929 ( 7.136 -1.822 -1.071) 7.442 32.056 ( -2.080 -3.842 -2.249) 4.914 32.322 ( -4.015 11.716 -3.422) 12.849 33.351 ( 11.412 2.920 8.033) 14.258 33.898 ( -9.614 0.098 -8.273) 12.684 ======================= Grid point 303 (129/216) ======================= q-point: ( 0.73 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -3.218 8.043 2.973) 9.159 2.503 ( 6.395 -2.157 6.937) 9.678 2.595 ( -3.269 6.457 -2.550) 7.673 2.960 ( 4.036 11.144 -0.065) 11.853 3.079 ( -0.495 2.852 -3.177) 4.299 3.696 ( -17.426 23.185 -0.677) 29.012 3.772 ( 1.898 1.278 2.737) 3.567 3.892 ( -5.123 -3.364 1.869) 6.407 4.216 ( 7.340 -1.646 0.985) 7.586 4.456 ( 5.193 3.375 -0.464) 6.211 4.751 ( 1.192 3.301 11.471) 11.996 4.793 ( 8.786 -1.221 13.251) 15.946 5.055 ( 13.934 -1.456 1.839) 14.130 5.223 ( -5.032 -5.197 2.605) 7.689 5.284 ( 3.570 -0.864 -13.416) 13.909 5.310 ( -5.826 0.621 1.067) 5.956 5.563 ( -11.701 -6.499 -1.106) 13.430 5.774 ( 3.294 5.255 -0.713) 6.243 6.055 ( 11.882 -0.273 -0.440) 11.894 6.250 ( -0.296 3.624 1.607) 3.976 6.563 ( -6.842 2.566 -4.650) 8.662 6.630 ( -5.216 2.065 -6.414) 8.521 7.165 ( -0.448 0.109 7.442) 7.456 7.457 ( -0.284 -1.439 -11.024) 11.122 12.829 ( 2.078 0.459 1.479) 2.591 12.870 ( 1.684 0.063 -1.253) 2.100 13.577 ( 2.063 -1.808 2.159) 3.491 13.737 ( -1.774 -0.704 -1.835) 2.648 17.389 ( -0.092 0.386 -0.169) 0.432 17.512 ( -4.003 -0.282 -0.854) 4.103 17.823 ( 0.248 -4.121 3.140) 5.187 17.871 ( 0.159 -3.142 -2.300) 3.897 18.498 ( 2.646 2.619 -0.351) 3.740 18.666 ( -1.027 1.553 0.090) 1.864 28.201 ( 0.307 -0.397 0.023) 0.502 28.265 ( -0.460 0.254 0.126) 0.541 31.695 ( -1.563 -6.245 2.139) 6.784 31.775 ( 6.863 -3.681 -1.388) 7.910 32.019 ( -1.950 -6.686 -1.715) 7.172 32.515 ( -3.568 16.897 0.363) 17.273 33.221 ( 14.380 4.085 3.246) 15.297 33.991 ( -10.050 -4.672 -3.508) 11.625 ======================= Grid point 304 (130/216) ======================= q-point: ( 0.82 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 3.525 -17.194 0.000) 17.552 2.577 ( 8.703 -2.980 0.000) 9.199 2.694 ( -2.354 19.065 -0.000) 19.209 2.992 ( -0.420 5.486 -0.000) 5.502 3.163 ( -2.586 10.666 -0.000) 10.975 3.712 ( 7.090 4.931 -0.000) 8.636 3.971 ( -8.956 -6.305 0.000) 10.953 4.118 ( 6.012 3.421 -0.000) 6.918 4.164 ( -15.110 12.799 -0.000) 19.802 4.392 ( 7.805 5.181 -0.000) 9.368 4.732 ( 10.702 1.600 0.000) 10.821 4.750 ( 2.095 -2.168 0.000) 3.015 4.809 ( 14.236 -1.146 0.000) 14.282 5.125 ( 6.726 -0.240 0.000) 6.730 5.303 ( -7.307 -4.763 0.000) 8.722 5.381 ( 0.797 5.660 -0.000) 5.716 5.683 ( 6.082 -0.599 0.000) 6.112 5.687 ( -11.552 -8.354 0.000) 14.256 5.834 ( 11.738 -4.334 0.000) 12.512 6.397 ( -7.255 6.558 -0.000) 9.780 6.695 ( -5.361 0.327 -0.000) 5.371 6.702 ( -8.641 4.661 -0.000) 9.819 7.160 ( 1.518 -2.862 0.000) 3.240 7.436 ( -1.022 0.745 -0.000) 1.265 12.808 ( 1.765 0.557 0.000) 1.851 12.844 ( 1.321 0.366 0.000) 1.370 13.530 ( 2.430 -1.760 0.000) 3.001 13.764 ( -2.306 0.299 -0.000) 2.325 17.398 ( -0.153 0.932 -0.000) 0.945 17.573 ( -4.087 0.461 -0.000) 4.113 17.794 ( 0.518 -3.457 0.000) 3.495 17.833 ( -0.787 -3.731 0.000) 3.813 18.481 ( 2.180 2.003 -0.000) 2.960 18.676 ( 0.871 0.267 0.000) 0.911 28.200 ( -0.484 -0.207 0.000) 0.527 28.268 ( 0.399 0.204 -0.000) 0.448 31.647 ( 6.165 -0.759 0.000) 6.211 31.710 ( -4.815 -2.534 0.000) 5.441 31.979 ( -4.492 -10.963 0.000) 11.847 32.720 ( 0.245 20.130 -0.000) 20.132 33.037 ( 15.884 4.317 0.000) 16.460 34.067 ( -9.840 -9.072 0.000) 13.384 ======================= Grid point 310 (131/216) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 14.708 0.000 8.743) 17.111 2.288 ( 6.189 0.000 11.653) 13.194 2.695 ( 11.793 0.000 13.677) 18.059 3.093 ( -11.136 -0.000 -7.360) 13.348 3.184 ( -4.240 -0.000 -13.955) 14.585 3.381 ( 4.652 0.000 9.256) 10.359 3.459 ( 29.266 -0.000 4.045) 29.545 3.681 ( 11.233 -0.000 2.000) 11.410 3.983 ( -11.753 0.000 12.177) 16.924 4.276 ( -0.868 0.000 1.449) 1.689 4.442 ( -3.383 -0.000 -1.578) 3.733 4.658 ( 1.709 -0.000 -1.828) 2.502 4.749 ( -6.102 0.000 2.224) 6.495 4.946 ( 2.475 0.000 1.597) 2.945 5.232 ( 3.132 0.000 8.730) 9.274 5.287 ( 2.585 0.000 10.891) 11.194 5.729 ( -6.702 -0.000 -6.446) 9.299 6.020 ( -0.554 0.000 1.493) 1.592 6.107 ( 1.167 -0.000 -1.382) 1.809 6.165 ( -4.040 -0.000 -14.706) 15.251 6.799 ( 4.620 0.000 5.459) 7.151 6.965 ( 8.404 -0.000 -17.760) 19.648 7.341 ( 4.888 -0.000 -6.318) 7.988 7.605 ( -15.360 0.000 -1.818) 15.467 12.724 ( 1.100 0.000 0.278) 1.135 12.858 ( -1.930 -0.000 -1.307) 2.331 13.497 ( 0.160 0.000 4.743) 4.746 13.875 ( -2.655 -0.000 -3.732) 4.580 17.453 ( -0.627 0.000 1.250) 1.399 17.599 ( 0.225 -0.000 -3.121) 3.129 17.864 ( -0.845 0.000 2.048) 2.215 17.868 ( -1.444 0.000 1.395) 2.008 18.405 ( 2.338 0.000 2.042) 3.104 18.584 ( 0.066 -0.000 -0.372) 0.378 28.222 ( -0.295 0.000 0.269) 0.400 28.235 ( 0.223 -0.000 -0.060) 0.231 31.523 ( -1.952 0.000 1.648) 2.554 31.842 ( 2.917 -0.000 -3.935) 4.898 32.137 ( -4.925 -0.000 -2.729) 5.631 32.151 ( -1.505 -0.000 -0.697) 1.659 33.226 ( 2.648 0.000 12.559) 12.835 34.204 ( 0.480 -0.000 -8.526) 8.539 ======================= Grid point 314 (132/216) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -0.000 14.870 14.793) 20.975 2.267 ( 0.000 18.748 -3.265) 19.030 2.535 ( 0.000 25.200 7.376) 26.257 2.653 ( 0.000 30.361 -4.314) 30.666 3.017 ( 0.000 -7.093 -3.509) 7.914 3.059 ( -0.000 -7.475 -9.717) 12.259 3.818 ( 0.000 1.619 6.391) 6.593 3.846 ( -0.000 0.690 4.783) 4.832 4.490 ( 0.000 -6.753 0.664) 6.785 4.496 ( -0.000 -4.416 -0.616) 4.459 4.887 ( -0.000 -3.497 22.169) 22.443 5.052 ( -0.000 -4.895 4.431) 6.602 5.116 ( 0.000 -3.330 14.920) 15.287 5.191 ( 0.000 -2.489 -1.810) 3.078 5.328 ( 0.000 1.722 7.623) 7.815 5.344 ( -0.000 -0.512 -3.227) 3.267 5.408 ( 0.000 5.435 -12.026) 13.197 5.562 ( -0.000 5.336 -14.389) 15.347 6.253 ( -0.000 3.787 0.238) 3.795 6.263 ( 0.000 3.196 -0.899) 3.320 6.412 ( -0.000 1.886 -0.586) 1.975 6.478 ( 0.000 1.878 -7.716) 7.941 7.111 ( 0.000 2.667 18.895) 19.082 7.466 ( -0.000 -0.717 -26.973) 26.983 12.870 ( 0.000 0.011 2.581) 2.581 12.906 ( -0.000 -0.206 -2.232) 2.242 13.647 ( 0.000 -2.008 6.647) 6.943 13.742 ( -0.000 -2.654 -6.101) 6.653 17.423 ( 0.000 -2.309 0.976) 2.507 17.444 ( -0.000 -1.942 -1.774) 2.630 17.890 ( -0.000 -2.052 2.759) 3.438 17.923 ( 0.000 -1.200 -1.752) 2.124 18.522 ( 0.000 4.293 1.095) 4.431 18.543 ( -0.000 3.121 -1.521) 3.472 28.228 ( 0.000 -0.126 0.905) 0.914 28.240 ( -0.000 -0.181 -0.729) 0.751 31.920 ( 0.000 -13.469 7.374) 15.356 32.028 ( -0.000 8.900 7.424) 11.590 32.030 ( -0.000 -12.445 -7.417) 14.488 32.141 ( 0.000 8.363 -7.733) 11.391 33.523 ( -0.000 2.628 11.427) 11.725 33.694 ( -0.000 3.318 -11.606) 12.071 ======================= Grid point 315 (133/216) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 2.448 18.149 -0.000) 18.313 2.407 ( -5.033 11.439 -0.000) 12.497 2.773 ( 8.746 -11.885 0.000) 14.756 2.804 ( 2.587 27.335 -0.000) 27.457 3.050 ( -6.162 -6.708 0.000) 9.109 3.132 ( -19.629 27.634 -0.000) 33.896 3.827 ( 2.799 0.764 0.000) 2.901 3.877 ( -1.453 -0.200 -0.000) 1.466 4.358 ( 6.951 -4.304 0.000) 8.176 4.485 ( 0.848 -0.454 0.000) 0.962 4.841 ( 6.423 -2.958 0.000) 7.071 5.003 ( 7.660 0.046 0.000) 7.660 5.170 ( -7.482 -7.059 0.000) 10.286 5.239 ( 2.696 -1.984 0.000) 3.347 5.269 ( -4.314 -0.081 -0.000) 4.314 5.300 ( 12.604 2.950 0.000) 12.945 5.436 ( -9.526 -3.357 0.000) 10.100 5.670 ( -7.820 7.705 -0.000) 10.978 6.202 ( 8.246 2.463 0.000) 8.606 6.259 ( 4.192 3.018 -0.000) 5.166 6.448 ( -1.888 2.890 -0.000) 3.453 6.513 ( -5.480 1.258 -0.000) 5.622 7.231 ( 2.164 -0.074 0.000) 2.165 7.352 ( -4.294 0.716 -0.000) 4.353 12.868 ( 1.908 -0.041 0.000) 1.908 12.884 ( 0.945 0.041 0.000) 0.946 13.643 ( 2.147 -2.454 0.000) 3.261 13.706 ( -1.884 -1.295 0.000) 2.286 17.395 ( 0.819 -0.785 0.000) 1.135 17.458 ( -3.321 -1.293 0.000) 3.564 17.883 ( 0.399 -3.415 0.000) 3.439 17.885 ( 0.201 -2.515 0.000) 2.523 18.515 ( 3.038 3.130 -0.000) 4.362 18.613 ( -2.796 3.151 -0.000) 4.212 28.216 ( 0.941 -0.407 0.000) 1.025 28.251 ( -1.019 0.137 -0.000) 1.028 31.794 ( 3.048 -9.986 0.000) 10.441 31.900 ( 1.409 -9.721 0.000) 9.822 32.048 ( 3.272 1.453 -0.000) 3.580 32.294 ( -6.443 13.051 -0.000) 14.555 33.421 ( 13.973 3.110 0.000) 14.314 33.827 ( -12.083 0.051 -0.000) 12.084 ======================= Grid point 322 (134/216) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 12.648 -1.056 8.536) 15.296 2.441 ( 6.181 -1.575 2.135) 6.727 2.759 ( -10.960 4.955 -4.226) 12.749 2.952 ( -4.756 -0.840 -8.500) 9.777 3.109 ( 7.523 -5.501 7.334) 11.860 3.511 ( -4.006 -1.970 15.779) 16.398 3.748 ( 13.626 13.022 0.342) 18.851 3.772 ( -4.285 0.750 7.102) 8.328 4.035 ( 5.877 -9.456 1.057) 11.183 4.244 ( 0.397 1.632 -3.184) 3.600 4.386 ( 4.361 6.289 -4.304) 8.781 4.624 ( -2.269 4.602 -0.323) 5.141 4.737 ( -9.176 -5.906 -5.780) 12.348 4.880 ( 2.232 -5.899 -2.619) 6.830 5.354 ( 6.312 0.319 1.835) 6.581 5.431 ( -2.530 -3.630 -2.898) 5.290 5.701 ( 4.794 -0.389 12.352) 13.255 5.940 ( -6.112 3.918 -5.267) 8.970 6.020 ( -5.250 -3.298 -0.719) 6.242 6.088 ( -0.376 -1.394 -6.183) 6.350 6.940 ( 5.954 0.638 7.340) 9.473 6.965 ( 8.865 0.762 -14.566) 17.068 7.379 ( 4.555 0.741 -3.012) 5.510 7.416 ( -9.325 1.199 4.120) 10.265 12.746 ( 1.410 0.066 0.459) 1.485 12.827 ( -0.837 -0.064 -1.121) 1.401 13.529 ( -0.037 0.687 4.248) 4.304 13.807 ( -2.413 -0.123 -3.652) 4.379 17.449 ( -0.270 1.046 1.005) 1.475 17.589 ( -0.010 -1.956 -2.684) 3.321 17.845 ( -1.697 1.610 1.833) 2.972 17.871 ( -0.876 -1.186 1.059) 1.815 18.451 ( 1.948 0.248 1.671) 2.579 18.583 ( 0.138 -0.656 -1.066) 1.259 28.223 ( 0.184 -0.006 0.085) 0.203 28.233 ( -0.395 -0.061 -0.176) 0.436 31.514 ( -0.502 0.036 1.815) 1.883 31.857 ( 3.451 -0.345 -6.312) 7.202 32.065 ( -2.551 -1.548 -1.826) 3.498 32.130 ( -2.157 -2.734 -1.154) 3.668 33.315 ( 3.817 12.567 12.305) 17.998 34.175 ( -1.247 -7.970 -6.612) 10.431 ======================= Grid point 323 (135/216) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 13.133 -0.000 10.091) 16.562 2.296 ( 9.667 0.000 -4.511) 10.668 2.943 ( -10.545 -0.000 -1.517) 10.653 3.004 ( -9.137 0.000 -9.922) 13.488 3.112 ( 5.925 0.000 23.097) 23.845 3.474 ( 14.541 0.000 2.839) 14.815 3.537 ( 21.019 0.000 7.475) 22.309 3.742 ( 8.676 -0.000 5.911) 10.498 4.206 ( -18.699 -0.000 17.109) 25.345 4.252 ( -3.164 0.000 -3.370) 4.622 4.404 ( -5.317 -0.000 -3.866) 6.574 4.641 ( 1.073 0.000 -0.487) 1.179 4.763 ( -3.618 0.000 -0.910) 3.731 4.881 ( -7.867 -0.000 -8.679) 11.714 5.303 ( 0.716 0.000 1.428) 1.598 5.435 ( 1.048 -0.000 2.753) 2.945 5.716 ( 2.578 -0.000 7.117) 7.569 5.937 ( 0.277 -0.000 -11.817) 11.820 6.041 ( -0.775 -0.000 1.204) 1.432 6.104 ( -3.531 -0.000 -0.696) 3.599 6.721 ( 8.608 -0.000 -12.987) 15.581 6.879 ( 7.231 0.000 1.117) 7.316 7.262 ( 7.641 0.000 -1.490) 7.785 7.562 ( -8.040 0.000 -4.469) 9.199 12.739 ( 0.369 -0.000 1.638) 1.679 12.834 ( -1.565 0.000 -1.875) 2.442 13.574 ( -0.523 -0.000 5.492) 5.517 13.813 ( -2.301 0.000 -4.667) 5.204 17.470 ( -0.414 -0.000 1.167) 1.238 17.555 ( 0.121 0.000 -2.782) 2.785 17.885 ( -1.168 -0.000 0.899) 1.474 17.887 ( -0.750 0.000 1.089) 1.322 18.441 ( 1.708 0.000 2.758) 3.244 18.567 ( 0.216 0.000 -1.906) 1.919 28.226 ( -0.325 -0.000 0.243) 0.406 28.234 ( 0.015 0.000 -0.097) 0.098 31.559 ( -2.802 -0.000 3.209) 4.260 31.773 ( 0.078 0.000 -5.289) 5.289 32.112 ( -4.576 -0.000 -0.756) 4.638 32.138 ( -1.750 0.000 -1.026) 2.029 33.427 ( 3.271 -0.000 14.469) 14.834 34.053 ( 2.582 -0.000 -11.777) 12.056 ======================= Grid point 334 (136/216) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 5.750 3.360 5.340) 8.536 2.389 ( -4.346 5.546 -9.822) 12.088 2.669 ( 5.360 -4.219 2.124) 7.145 2.828 ( -6.360 -8.948 -9.231) 14.343 3.315 ( -0.064 5.264 12.032) 13.133 3.520 ( -7.312 -2.464 17.288) 18.932 3.748 ( 5.240 11.786 0.821) 12.925 3.786 ( -0.689 2.388 3.119) 3.988 4.109 ( 0.960 5.804 -3.298) 6.745 4.236 ( 4.617 2.568 -1.700) 5.550 4.394 ( -5.159 -11.672 -7.601) 14.853 4.443 ( -2.970 1.166 -14.763) 15.104 4.658 ( -0.290 2.054 3.631) 4.182 5.029 ( 4.727 -5.665 -2.851) 7.910 5.308 ( -5.593 -2.622 -10.302) 12.012 5.403 ( 2.446 -0.887 -7.858) 8.278 5.803 ( -2.821 3.306 6.587) 7.891 5.893 ( -2.830 -1.931 2.812) 4.433 5.982 ( 0.564 -2.565 5.330) 5.942 6.086 ( 2.498 -2.869 -1.952) 4.275 7.034 ( 7.623 2.448 1.508) 8.147 7.077 ( 9.438 -0.369 -0.678) 9.469 7.339 ( -4.578 0.477 4.933) 6.746 7.411 ( 2.508 1.810 -0.224) 3.101 12.767 ( 1.098 0.700 0.358) 1.350 12.821 ( 0.609 -0.554 -0.535) 0.982 13.538 ( -0.573 2.289 2.605) 3.515 13.762 ( -1.327 -1.853 -2.384) 3.298 17.444 ( 0.174 1.194 0.615) 1.354 17.591 ( -0.713 -2.934 -1.718) 3.474 17.809 ( -2.214 2.098 1.489) 3.394 17.881 ( -0.236 -1.668 0.643) 1.803 18.487 ( 1.937 0.762 1.231) 2.419 18.583 ( 0.262 -0.749 -1.489) 1.688 28.223 ( -0.642 -0.031 -0.064) 0.646 28.227 ( 0.281 -0.112 -0.247) 0.391 31.539 ( 2.087 1.071 2.391) 3.350 31.865 ( 2.094 -1.443 -4.163) 4.878 32.055 ( -0.478 -3.298 -1.325) 3.586 32.125 ( -0.610 -4.127 -2.898) 5.080 33.286 ( 3.153 20.943 8.123) 22.684 34.218 ( -1.668 -12.882 -2.718) 13.271 ======================= Grid point 335 (137/216) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 12.234 0.865 7.679) 14.470 2.419 ( 6.050 -3.466 -2.393) 7.372 2.658 ( -11.129 7.030 -7.092) 14.953 2.814 ( -10.477 -7.704 -7.974) 15.255 3.404 ( 6.958 3.027 24.153) 25.316 3.704 ( 6.975 -3.148 9.826) 12.455 3.747 ( 9.558 10.868 -0.023) 14.473 3.911 ( -4.583 -1.067 8.749) 9.934 4.074 ( -5.744 -6.576 5.595) 10.370 4.192 ( -0.154 0.816 -3.065) 3.175 4.283 ( -0.727 4.432 -9.426) 10.441 4.518 ( -16.383 -3.723 -13.065) 21.283 4.708 ( 2.321 5.931 1.300) 6.500 4.860 ( 5.839 -8.582 -0.362) 10.386 5.274 ( -1.416 2.013 -10.018) 10.316 5.356 ( -5.919 -4.387 -3.940) 8.355 5.877 ( 4.600 1.895 7.367) 8.890 5.903 ( 3.002 1.232 1.870) 3.745 6.020 ( -3.652 -1.866 -0.029) 4.101 6.042 ( -3.553 -2.145 -1.550) 4.430 6.830 ( 12.845 -0.068 -2.363) 13.061 6.981 ( 7.497 0.113 -3.041) 8.091 7.363 ( 4.757 1.406 1.821) 5.284 7.448 ( -4.276 0.884 0.130) 4.369 12.760 ( 0.887 0.161 1.230) 1.525 12.808 ( -0.283 -0.234 -1.432) 1.479 13.594 ( -0.912 1.588 4.381) 4.749 13.749 ( -1.816 -0.998 -3.994) 4.499 17.463 ( 0.066 2.258 0.809) 2.399 17.555 ( -0.041 -3.073 -1.789) 3.556 17.866 ( -1.761 1.138 0.966) 2.309 17.882 ( -0.694 -0.555 0.456) 0.999 18.479 ( 1.446 0.809 1.976) 2.579 18.561 ( 0.100 -1.189 -1.811) 2.169 28.224 ( -0.020 0.072 0.081) 0.110 28.230 ( -0.420 -0.143 -0.151) 0.469 31.555 ( -0.250 0.919 3.644) 3.767 31.753 ( 2.673 -1.312 -7.022) 7.627 32.060 ( -2.856 -2.023 0.662) 3.562 32.112 ( -2.598 -2.654 -1.381) 3.962 33.493 ( 2.904 17.639 10.875) 20.925 34.064 ( 1.104 -12.753 -7.741) 14.959 ======================= Grid point 336 (138/216) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 11.745 -0.000 9.740) 15.259 2.208 ( 10.681 0.000 -7.251) 12.909 2.887 ( -13.001 -0.000 -2.310) 13.205 2.899 ( -11.891 0.000 -4.096) 12.577 3.394 ( 21.629 0.000 10.382) 23.992 3.475 ( 22.031 -0.000 -2.327) 22.153 3.715 ( 2.236 0.000 14.673) 14.842 3.816 ( 2.776 -0.000 1.775) 3.295 4.216 ( -4.116 0.000 0.312) 4.128 4.298 ( -6.021 -0.000 -8.345) 10.290 4.475 ( -21.158 -0.000 16.516) 26.841 4.642 ( -5.211 -0.000 -0.539) 5.238 4.716 ( 1.570 0.000 -4.492) 4.758 4.723 ( -7.682 -0.000 -10.967) 13.390 5.319 ( -4.240 -0.000 2.492) 4.918 5.387 ( -5.627 0.000 -5.782) 8.068 5.830 ( 7.024 0.000 3.730) 7.952 5.845 ( 4.833 -0.000 -1.388) 5.028 6.062 ( -1.997 -0.000 1.959) 2.797 6.089 ( -3.375 0.000 -1.396) 3.652 6.645 ( 10.974 -0.000 3.723) 11.588 6.782 ( 10.394 0.000 -11.485) 15.490 7.334 ( 4.664 -0.000 9.025) 10.159 7.468 ( -1.059 0.000 -8.151) 8.220 12.769 ( -0.411 -0.000 2.308) 2.344 12.803 ( -1.065 0.000 -2.301) 2.535 13.657 ( -1.205 -0.000 5.675) 5.802 13.739 ( -1.813 0.000 -5.357) 5.655 17.490 ( -0.163 -0.000 1.573) 1.582 17.518 ( 0.017 0.000 -2.198) 2.198 17.895 ( -0.920 0.000 0.391) 1.000 17.896 ( -0.760 -0.000 0.232) 0.795 18.485 ( 1.090 0.000 3.122) 3.307 18.530 ( 0.580 -0.000 -2.887) 2.944 28.229 ( -0.287 -0.000 0.192) 0.346 28.232 ( -0.168 0.000 -0.141) 0.219 31.617 ( -2.917 -0.000 4.618) 5.462 31.692 ( -2.023 0.000 -5.446) 5.810 32.111 ( -3.530 -0.000 0.484) 3.563 32.123 ( -2.502 0.000 -1.004) 2.696 33.646 ( 3.725 -0.000 14.936) 15.393 33.861 ( 3.610 0.000 -14.002) 14.460 ======================= Grid point 346 (139/216) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -7.683 10.380 -9.829) 16.229 2.434 ( 4.462 6.695 0.224) 8.049 2.752 ( -3.299 -9.348 -5.970) 11.573 2.879 ( 3.101 -6.530 8.448) 11.119 3.227 ( -7.128 4.628 7.977) 11.656 3.539 ( -0.941 9.614 0.182) 9.662 3.604 ( -6.982 8.015 -3.356) 11.146 3.826 ( 1.120 2.700 7.953) 8.473 3.946 ( -10.636 -2.286 -5.763) 12.311 4.279 ( 5.872 6.570 -6.785) 11.122 4.360 ( 6.773 -3.317 -0.460) 7.556 4.471 ( 1.084 -7.798 -4.913) 9.280 4.620 ( -2.529 5.789 1.511) 6.495 4.968 ( -5.578 -2.114 -14.594) 15.766 5.208 ( -0.465 4.079 -3.433) 5.351 5.454 ( 6.026 -3.690 -0.129) 7.067 5.755 ( -8.006 -4.259 3.264) 9.638 5.820 ( -8.343 -4.259 -0.753) 9.397 6.110 ( 5.858 0.307 4.790) 7.573 6.199 ( 9.118 -0.567 1.928) 9.337 7.129 ( 2.859 2.550 8.175) 9.028 7.239 ( 10.535 -0.879 -3.478) 11.130 7.327 ( -0.253 -0.857 1.626) 1.855 7.429 ( 0.989 0.405 2.648) 2.856 12.772 ( 0.621 1.321 0.089) 1.462 12.846 ( 1.707 -0.997 0.038) 1.977 13.508 ( -0.923 3.680 0.535) 3.831 13.769 ( -0.022 -3.760 -0.500) 3.794 17.442 ( 0.438 0.948 0.259) 1.076 17.591 ( -1.810 -3.153 -0.868) 3.738 17.762 ( -2.388 2.270 0.985) 3.439 17.904 ( 0.420 -2.062 0.439) 2.150 18.517 ( 2.015 1.133 1.003) 2.520 18.583 ( 0.495 -0.367 -1.666) 1.776 28.215 ( -0.507 -0.092 0.261) 0.577 28.228 ( 0.078 -0.112 -0.612) 0.627 31.569 ( 2.094 3.509 0.731) 4.151 31.915 ( 2.126 -3.685 3.476) 5.494 32.081 ( 2.801 -1.543 -3.171) 4.504 32.145 ( 0.235 -6.563 -4.219) 7.806 33.167 ( 2.549 22.233 3.675) 22.678 34.303 ( -2.214 -12.735 0.177) 12.927 ======================= Grid point 347 (140/216) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -12.217 9.035 -3.729) 15.646 2.379 ( 9.055 3.658 1.924) 9.954 2.672 ( 2.202 -9.128 1.331) 9.484 2.730 ( 1.005 -9.037 -5.268) 10.509 3.531 ( -4.036 9.960 14.460) 18.016 3.690 ( -0.490 13.362 -2.693) 13.639 3.776 ( -10.202 6.040 5.842) 13.217 3.898 ( 0.647 -2.780 14.492) 14.771 4.049 ( -8.141 0.992 -4.556) 9.382 4.198 ( 1.377 -2.626 -16.337) 16.604 4.228 ( 3.978 -1.471 0.073) 4.242 4.278 ( -0.844 -10.247 -6.514) 12.171 4.734 ( -0.053 3.887 5.525) 6.755 4.942 ( -2.750 -2.101 -7.540) 8.296 5.176 ( 2.255 0.055 -4.323) 4.876 5.344 ( 0.432 -6.185 -1.633) 6.411 5.877 ( -4.574 1.693 3.198) 5.832 5.903 ( -6.615 -1.052 -0.504) 6.717 6.044 ( 6.095 0.179 1.898) 6.387 6.077 ( 4.509 -3.552 0.257) 5.745 7.042 ( 12.275 -0.375 1.256) 12.344 7.084 ( 8.207 -0.348 -0.410) 8.224 7.363 ( -1.174 3.433 -0.292) 3.640 7.434 ( 0.634 0.198 1.889) 2.003 12.773 ( 0.670 0.926 0.295) 1.180 12.814 ( 1.166 -0.884 -0.320) 1.498 13.570 ( -1.531 3.891 1.322) 4.385 13.733 ( -0.524 -3.413 -1.225) 3.664 17.450 ( 0.478 2.057 0.242) 2.125 17.573 ( -0.709 -3.617 -0.609) 3.736 17.825 ( -2.305 1.969 0.527) 3.077 17.887 ( -0.075 -1.390 0.179) 1.404 18.504 ( 1.765 1.157 0.888) 2.290 18.563 ( 0.020 -1.159 -1.053) 1.566 28.223 ( -0.418 -0.063 0.034) 0.424 28.224 ( -0.087 -0.092 -0.160) 0.203 31.577 ( 2.295 3.671 2.145) 4.832 31.795 ( 5.250 -4.406 -3.703) 7.790 32.060 ( -2.641 -3.809 1.551) 4.888 32.091 ( -1.613 -3.800 -2.126) 4.644 33.378 ( 1.786 23.828 3.623) 24.168 34.181 ( 0.196 -15.465 -1.677) 15.557 ======================= Grid point 348 (141/216) ======================= q-point: (-0.55 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 11.190 4.808 -0.000) 12.179 2.396 ( 8.095 -7.948 0.000) 11.344 2.599 ( -12.333 7.042 -0.000) 14.202 2.749 ( -11.277 -7.609 0.000) 13.604 3.627 ( 14.793 11.660 -0.000) 18.836 3.730 ( 0.650 10.133 -0.000) 10.154 3.838 ( 10.867 -9.632 0.000) 14.521 3.933 ( 4.573 -11.071 0.000) 11.979 4.112 ( -4.462 10.250 -0.000) 11.179 4.179 ( -5.135 2.985 -0.000) 5.940 4.273 ( -16.989 -3.388 -0.000) 17.323 4.321 ( -18.016 -6.731 0.000) 19.232 4.723 ( 7.411 5.360 -0.000) 9.146 4.859 ( 5.751 -8.232 0.000) 10.042 5.185 ( -4.724 6.169 -0.000) 7.770 5.323 ( -6.010 -7.524 0.000) 9.630 5.918 ( 4.693 3.412 -0.000) 5.802 5.936 ( 5.907 0.839 0.000) 5.966 6.020 ( -5.895 -1.758 -0.000) 6.151 6.028 ( -2.983 -2.808 0.000) 4.097 6.880 ( 11.591 0.097 0.000) 11.592 6.888 ( 12.233 -0.875 0.000) 12.264 7.401 ( 0.448 2.977 -0.000) 3.010 7.432 ( 0.666 -0.441 0.000) 0.799 12.776 ( 0.175 0.751 -0.000) 0.771 12.791 ( 0.412 -0.847 0.000) 0.942 13.640 ( -1.820 3.826 -0.000) 4.237 13.706 ( -1.011 -3.227 0.000) 3.381 17.470 ( 0.286 3.289 -0.000) 3.301 17.540 ( -0.109 -4.059 0.000) 4.061 17.873 ( -1.784 1.002 -0.000) 2.046 17.885 ( -0.623 -0.380 0.000) 0.730 18.500 ( 1.193 1.999 -0.000) 2.328 18.541 ( 0.160 -2.370 0.000) 2.376 28.225 ( -0.099 0.165 -0.000) 0.192 28.229 ( -0.428 -0.236 0.000) 0.488 31.600 ( 0.501 3.985 -0.000) 4.016 31.681 ( 1.253 -4.639 0.000) 4.806 32.070 ( -1.546 -0.974 0.000) 1.827 32.097 ( -3.714 -3.606 0.000) 5.177 33.589 ( 2.222 23.864 -0.000) 23.967 33.991 ( 2.324 -18.884 0.000) 19.026 ======================= Grid point 358 (142/216) ======================= q-point: ( 0.27 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -7.374 13.602 -6.788) 16.896 2.295 ( -9.884 13.831 -1.707) 17.085 2.728 ( -2.835 1.203 -0.959) 3.225 2.978 ( -4.871 -1.172 13.041) 13.971 3.221 ( -4.864 0.249 -17.138) 17.817 3.296 ( 2.610 0.589 2.393) 3.590 3.554 ( 3.785 5.179 1.841) 6.674 3.780 ( -6.936 -2.272 0.904) 7.354 3.837 ( -2.417 2.784 -0.866) 3.787 4.236 ( -13.717 8.278 0.929) 16.048 4.374 ( 6.927 -0.719 -5.562) 8.913 4.440 ( 0.419 9.381 -0.544) 9.406 4.681 ( 6.358 0.296 5.040) 8.119 4.810 ( -1.117 0.684 -11.390) 11.465 5.172 ( 0.941 -1.232 -0.382) 1.596 5.616 ( 1.445 -6.761 2.833) 7.472 5.709 ( -2.539 -4.539 -0.011) 5.201 5.717 ( -6.553 -4.729 -0.833) 8.124 6.191 ( 3.868 3.539 1.235) 5.387 6.382 ( 11.207 0.121 2.803) 11.553 7.190 ( 0.272 1.129 5.913) 6.026 7.330 ( 2.807 -0.379 1.996) 3.465 7.366 ( 4.414 -0.419 -2.342) 5.014 7.495 ( 2.082 -4.712 -0.095) 5.152 12.766 ( 0.450 1.584 0.031) 1.647 12.887 ( 2.004 -1.195 0.111) 2.336 13.462 ( -0.375 3.848 -0.111) 3.868 13.813 ( 0.604 -4.601 0.164) 4.643 17.441 ( 0.470 0.956 -0.028) 1.065 17.577 ( -3.171 -3.063 -0.370) 4.425 17.712 ( -2.140 1.950 0.462) 2.931 17.935 ( 0.660 -1.962 0.260) 2.087 18.543 ( 1.936 1.387 0.900) 2.546 18.581 ( 0.700 0.208 -1.420) 1.597 28.211 ( -0.705 -0.100 0.307) 0.776 28.226 ( 0.332 -0.139 -0.524) 0.636 31.543 ( -0.572 3.988 -0.521) 4.063 31.990 ( -0.295 1.833 4.304) 4.688 32.143 ( 5.839 -0.331 -1.142) 5.959 32.220 ( 4.727 -11.337 -3.482) 12.767 33.025 ( 2.716 19.845 0.788) 20.046 34.374 ( -3.600 -11.017 0.938) 11.628 ======================= Grid point 359 (143/216) ======================= q-point: ( 0.36 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -8.896 10.414 -0.000) 13.696 2.435 ( 2.928 7.326 -0.000) 7.889 2.701 ( -2.396 -8.402 0.000) 8.737 2.954 ( 9.299 -10.476 0.000) 14.007 3.335 ( -15.777 8.122 -0.000) 17.745 3.459 ( -8.913 11.151 -0.000) 14.275 3.605 ( -1.350 9.388 -0.000) 9.485 3.895 ( -11.541 -5.035 0.000) 12.592 3.935 ( -2.249 6.768 -0.000) 7.132 4.189 ( 8.130 -0.969 0.000) 8.187 4.391 ( 7.527 -3.214 0.000) 8.185 4.410 ( 3.523 -8.153 0.000) 8.881 4.639 ( -5.206 7.509 -0.000) 9.137 4.837 ( -4.081 0.837 -0.000) 4.166 5.186 ( 0.259 2.523 -0.000) 2.536 5.454 ( 7.323 -4.446 0.000) 8.567 5.785 ( -9.348 -5.181 0.000) 10.688 5.809 ( -8.474 -3.849 0.000) 9.307 6.144 ( 6.464 2.325 -0.000) 6.869 6.217 ( 9.860 -1.324 0.000) 9.949 7.182 ( 6.407 0.292 0.000) 6.413 7.240 ( 7.558 -1.621 0.000) 7.730 7.313 ( 0.330 3.231 -0.000) 3.248 7.456 ( 0.855 -1.413 0.000) 1.651 12.772 ( 0.553 1.310 -0.000) 1.422 12.846 ( 1.814 -1.065 0.000) 2.104 13.512 ( -1.207 4.207 -0.000) 4.377 13.765 ( 0.245 -4.262 0.000) 4.269 17.444 ( 0.572 1.347 -0.000) 1.464 17.585 ( -1.821 -3.347 0.000) 3.810 17.769 ( -2.411 2.282 -0.000) 3.320 17.907 ( 0.512 -1.988 0.000) 2.053 18.527 ( 2.051 1.145 -0.000) 2.349 18.568 ( 0.266 -0.412 0.000) 0.491 28.220 ( -0.045 -0.053 0.000) 0.069 28.221 ( -0.432 -0.159 0.000) 0.461 31.575 ( 1.652 4.886 -0.000) 5.158 31.947 ( 9.310 -5.543 0.000) 10.835 32.043 ( -2.562 -1.165 0.000) 2.814 32.120 ( -0.639 -6.686 0.000) 6.716 33.196 ( 1.789 22.955 -0.000) 23.024 34.303 ( -1.453 -13.301 0.000) 13.380 ======================= Grid point 369 (144/216) ======================= q-point: ( 0.27 -0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -8.897 18.237 -0.000) 20.291 1.885 ( -21.856 16.711 -0.000) 27.513 2.583 ( -2.021 20.704 -0.000) 20.802 2.966 ( -4.102 10.285 -0.000) 11.073 3.007 ( -4.629 -4.276 0.000) 6.302 3.487 ( 6.966 -10.261 0.000) 12.402 3.543 ( -4.200 11.042 -0.000) 11.814 3.771 ( -4.141 -11.335 0.000) 12.068 3.796 ( 6.879 1.246 0.000) 6.991 3.966 ( -4.725 6.501 -0.000) 8.037 4.204 ( -6.362 26.504 -0.000) 27.257 4.503 ( 3.425 -7.175 0.000) 7.951 4.669 ( -1.398 3.321 -0.000) 3.603 4.867 ( 6.330 -1.317 0.000) 6.466 5.251 ( 4.186 -5.047 0.000) 6.557 5.490 ( -21.365 -12.038 0.000) 24.523 5.656 ( -5.600 -3.660 0.000) 6.690 5.940 ( 19.555 1.467 0.000) 19.610 6.195 ( 1.591 4.932 -0.000) 5.182 6.564 ( 11.619 1.535 0.000) 11.720 7.206 ( -0.093 -0.160 0.000) 0.185 7.394 ( 0.572 -3.304 0.000) 3.353 7.433 ( 4.465 -0.367 0.000) 4.480 7.534 ( -2.210 -6.389 0.000) 6.760 12.758 ( 0.414 1.653 -0.000) 1.704 12.929 ( 1.815 -1.333 0.000) 2.252 13.428 ( 0.517 3.543 -0.000) 3.580 13.869 ( 0.736 -4.958 0.000) 5.012 17.437 ( 0.297 1.354 -0.000) 1.386 17.544 ( -4.377 -2.849 0.000) 5.222 17.669 ( -1.556 1.195 -0.000) 1.962 17.960 ( 0.428 -1.366 0.000) 1.432 18.563 ( 1.832 1.405 -0.000) 2.309 18.582 ( 0.709 0.746 -0.000) 1.029 28.198 ( -0.977 0.043 -0.000) 0.978 28.236 ( 0.747 -0.314 0.000) 0.810 31.485 ( -2.110 2.947 -0.000) 3.625 31.949 ( -0.552 7.055 -0.000) 7.076 32.212 ( 2.737 -2.051 0.000) 3.421 32.446 ( 10.720 -10.241 0.000) 14.826 32.901 ( 2.814 16.438 -0.000) 16.677 34.404 ( -5.369 -9.352 0.000) 10.784 ======================= Grid point 380 (145/216) ======================= q-point: ( 0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -0.000 23.003 -0.000) 23.003 1.380 ( -0.000 22.194 -0.000) 22.194 2.638 ( -0.000 34.257 -0.000) 34.257 2.907 ( -0.000 0.250 -0.000) 0.250 2.939 ( -0.000 11.092 -0.000) 11.092 3.327 ( -0.000 10.072 -0.000) 10.072 3.577 ( 0.000 -4.261 0.000) 4.261 3.694 ( 0.000 -14.412 0.000) 14.412 3.964 ( -0.000 0.870 -0.000) 0.870 4.134 ( -0.000 26.923 -0.000) 26.923 4.161 ( 0.000 -6.194 0.000) 6.194 4.419 ( 0.000 -8.205 0.000) 8.205 4.742 ( -0.000 2.875 -0.000) 2.875 4.930 ( 0.000 -5.490 0.000) 5.490 4.962 ( 0.000 -1.249 0.000) 1.249 5.347 ( 0.000 -5.477 0.000) 5.477 5.556 ( 0.000 -1.718 0.000) 1.718 6.216 ( -0.000 5.527 -0.000) 5.527 6.316 ( -0.000 2.337 -0.000) 2.337 6.923 ( -0.000 5.469 -0.000) 5.469 7.205 ( 0.000 -0.907 0.000) 0.907 7.214 ( 0.000 -17.352 0.000) 17.352 7.502 ( 0.000 -0.896 0.000) 0.896 7.503 ( 0.000 -1.387 0.000) 1.387 12.768 ( -0.000 1.672 -0.000) 1.672 12.960 ( 0.000 -1.707 0.000) 1.707 13.449 ( -0.000 3.503 -0.000) 3.503 13.881 ( 0.000 -5.341 0.000) 5.341 17.441 ( -0.000 1.495 -0.000) 1.495 17.450 ( 0.000 -1.283 0.000) 1.283 17.644 ( -0.000 1.116 -0.000) 1.116 17.965 ( 0.000 -1.303 0.000) 1.303 18.593 ( 0.000 -0.073 0.000) 0.073 18.595 ( -0.000 0.950 -0.000) 0.950 28.180 ( -0.000 0.277 -0.000) 0.277 28.250 ( 0.000 -0.595 0.000) 0.595 31.438 ( -0.000 3.156 -0.000) 3.156 31.956 ( -0.000 10.391 -0.000) 10.391 32.244 ( 0.000 -6.585 0.000) 6.585 32.707 ( 0.000 -7.975 0.000) 7.975 32.946 ( -0.000 14.606 -0.000) 14.606 34.265 ( 0.000 -8.923 0.000) 8.923 ======================= Grid point 381 (146/216) ======================= q-point: ( 0.36 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -3.914 20.610 10.132) 23.297 1.741 ( -16.038 19.450 4.360) 25.583 2.838 ( 5.846 18.171 -3.307) 19.373 2.906 ( -1.088 -5.611 1.920) 6.030 3.053 ( -1.515 9.578 6.414) 11.626 3.441 ( 0.218 -7.264 -2.954) 7.845 3.546 ( -4.930 4.422 5.875) 8.853 3.605 ( -4.413 -8.177 0.581) 9.310 3.943 ( 7.232 -0.782 -0.039) 7.274 4.043 ( 5.402 8.411 0.518) 10.009 4.373 ( -2.052 7.742 0.972) 8.068 4.428 ( -2.921 9.927 3.244) 10.844 4.764 ( 2.768 8.496 -0.951) 8.986 4.931 ( 2.831 -2.842 2.348) 4.648 5.068 ( -19.053 -6.240 0.323) 20.052 5.258 ( 3.139 -6.231 -0.286) 6.983 5.561 ( -2.563 -2.995 0.426) 3.965 6.220 ( 13.683 1.269 -1.529) 13.826 6.258 ( 1.428 4.477 -0.222) 4.704 6.730 ( 12.985 -3.016 -7.208) 15.155 7.166 ( -6.010 -2.335 -9.213) 11.245 7.208 ( -6.171 -2.822 -5.338) 8.634 7.465 ( 1.856 -1.179 -2.606) 3.409 7.550 ( 1.055 -5.495 13.635) 14.739 12.782 ( 0.376 1.859 0.125) 1.901 12.935 ( 0.901 -1.831 -0.085) 2.043 13.475 ( 0.785 3.970 -0.084) 4.048 13.828 ( 0.294 -5.246 -0.347) 5.266 17.448 ( -0.386 0.157 -0.816) 0.916 17.469 ( -2.369 -0.828 1.314) 2.833 17.664 ( -0.814 2.105 -0.476) 2.307 17.947 ( 0.156 -2.244 -0.320) 2.272 18.588 ( 0.862 0.496 -0.070) 0.997 18.602 ( 0.345 0.476 0.802) 0.994 28.188 ( -0.508 0.350 0.115) 0.628 28.241 ( 0.385 -0.628 0.077) 0.740 31.488 ( -1.642 4.286 0.118) 4.592 32.038 ( 1.881 9.178 -0.432) 9.379 32.166 ( -0.322 -8.490 -1.424) 8.614 32.554 ( 9.519 -5.675 0.023) 11.083 33.086 ( 1.099 15.869 1.317) 15.962 34.213 ( -5.054 -10.869 -1.466) 12.076 ======================= Grid point 382 (147/216) ======================= q-point: ( 0.45 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -3.081 16.128 13.887) 21.505 2.200 ( -16.453 12.824 5.253) 21.512 2.783 ( 3.768 2.661 -12.504) 13.328 2.868 ( 1.368 -5.962 4.837) 7.798 3.267 ( -4.666 1.468 5.002) 6.997 3.305 ( 2.315 -4.694 10.805) 12.006 3.598 ( -2.492 2.861 0.198) 3.799 3.735 ( -0.370 0.012 5.203) 5.216 3.863 ( 0.488 5.464 -3.694) 6.613 4.162 ( -5.140 12.046 1.565) 13.190 4.431 ( -2.923 -3.979 7.353) 8.857 4.561 ( 4.318 7.373 3.033) 9.067 4.777 ( 5.684 5.348 -2.891) 8.322 4.898 ( 1.463 -0.910 7.633) 7.825 5.190 ( -0.239 2.239 0.458) 2.298 5.315 ( -17.482 -4.997 -0.491) 18.189 5.572 ( -3.496 -4.732 -0.074) 5.884 5.916 ( 18.995 -2.670 -2.343) 19.324 6.259 ( 2.849 3.249 -3.098) 5.317 6.502 ( 8.324 -1.717 -5.446) 10.094 7.143 ( -1.091 0.726 -7.999) 8.105 7.257 ( -6.178 -0.554 -6.304) 8.844 7.403 ( 1.708 -0.689 -2.564) 3.156 7.528 ( 4.394 -6.172 6.639) 10.073 12.793 ( 0.647 1.945 0.148) 2.055 12.899 ( 1.433 -1.676 -0.146) 2.210 13.502 ( 0.551 4.228 -0.011) 4.264 13.773 ( 0.247 -4.850 -0.276) 4.864 17.446 ( -0.291 -0.044 -1.083) 1.122 17.511 ( -2.853 -1.657 1.457) 3.606 17.700 ( -1.460 2.897 -1.081) 3.420 17.915 ( 0.244 -3.042 -0.717) 3.134 18.575 ( 1.550 0.843 -0.276) 1.786 18.606 ( 0.618 0.016 1.591) 1.707 28.199 ( -0.491 0.152 -0.161) 0.539 28.233 ( 0.219 -0.374 0.566) 0.713 31.561 ( -2.155 4.803 -0.461) 5.285 32.000 ( 3.768 -2.713 -6.473) 7.966 32.117 ( 0.457 -1.798 0.266) 1.874 32.372 ( 10.598 -2.058 6.184) 12.441 33.228 ( 1.350 17.997 -0.325) 18.051 34.174 ( -5.522 -13.101 -2.163) 14.381 ======================= Grid point 383 (148/216) ======================= q-point: ( 0.55 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -1.984 11.706 14.646) 18.854 2.492 ( -4.318 1.338 6.682) 8.068 2.649 ( -1.742 -2.186 -12.829) 13.130 2.829 ( 2.588 -2.070 -0.362) 3.334 3.165 ( 2.326 -5.389 3.490) 6.829 3.586 ( -9.990 8.876 6.756) 14.975 3.650 ( 4.605 6.087 -0.336) 7.640 3.795 ( -9.579 -3.769 4.900) 11.401 3.889 ( 2.143 7.448 -0.446) 7.763 4.349 ( -3.978 0.361 3.395) 5.242 4.465 ( 4.425 -0.698 3.388) 5.616 4.505 ( 6.348 -0.158 7.892) 10.129 4.705 ( 5.462 4.532 -0.328) 7.105 4.954 ( -4.371 -5.540 12.224) 14.115 5.303 ( 0.196 10.704 4.203) 11.501 5.458 ( -6.554 -2.993 -4.641) 8.570 5.612 ( -3.696 -4.902 -0.075) 6.140 5.662 ( 0.518 -4.750 2.256) 5.284 6.156 ( 6.740 -0.204 -8.408) 10.778 6.332 ( 9.340 0.242 -3.390) 9.939 7.111 ( -0.826 3.687 -9.703) 10.413 7.259 ( -1.127 -2.188 -5.876) 6.371 7.387 ( 0.739 0.358 0.251) 0.859 7.418 ( 5.042 -3.132 0.422) 5.951 12.799 ( 0.950 1.749 0.074) 1.992 12.860 ( 1.544 -1.386 -0.118) 2.078 13.532 ( 0.285 3.533 -0.811) 3.636 13.734 ( -0.461 -3.716 0.759) 3.821 17.442 ( -0.361 0.001 -1.312) 1.361 17.545 ( -2.173 -1.784 1.755) 3.315 17.744 ( -1.806 3.125 -1.501) 3.909 17.876 ( -0.062 -3.305 -1.078) 3.477 18.551 ( 2.057 0.772 -0.509) 2.255 18.606 ( 0.891 -0.252 1.871) 2.088 28.204 ( -0.474 -0.066 -0.344) 0.589 28.235 ( 0.111 -0.091 0.910) 0.921 31.618 ( 0.359 4.006 -1.436) 4.271 31.855 ( 1.565 -4.823 -6.727) 8.424 32.079 ( 0.878 -2.290 -1.528) 2.889 32.287 ( 9.253 0.067 12.382) 15.458 33.367 ( 1.822 19.377 -3.523) 19.779 34.108 ( -4.976 -14.687 -1.752) 15.605 ======================= Grid point 384 (149/216) ======================= q-point: ( 0.64 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 3.969 3.461 -6.870) 8.656 2.476 ( -1.439 2.350 11.256) 11.589 2.688 ( 4.245 -0.313 -5.186) 6.709 2.736 ( -5.382 -6.612 9.601) 12.840 3.186 ( -4.583 1.111 -1.506) 4.950 3.522 ( 11.883 0.339 -3.943) 12.524 3.746 ( -2.881 1.941 -5.113) 6.182 3.948 ( 2.405 14.987 1.555) 15.258 4.099 ( -16.554 1.318 13.492) 21.396 4.266 ( 3.771 -12.934 1.201) 13.526 4.351 ( 6.253 -0.788 3.873) 7.397 4.581 ( 2.867 1.805 10.268) 10.812 4.676 ( 3.669 4.435 -1.152) 5.870 5.072 ( -2.245 -2.861 8.179) 8.951 5.296 ( 5.350 -2.607 1.688) 6.186 5.509 ( -2.251 1.487 11.708) 12.014 5.673 ( -8.497 0.677 -3.381) 9.171 5.770 ( -8.827 -1.891 -0.273) 9.031 5.953 ( 7.023 -1.788 -12.431) 14.389 6.165 ( 7.950 -0.301 -1.431) 8.084 7.087 ( 1.974 4.378 -6.979) 8.472 7.178 ( -0.314 -3.292 -8.950) 9.542 7.296 ( 6.635 -0.336 4.274) 7.899 7.425 ( -1.798 0.870 -2.231) 2.994 12.794 ( 1.446 0.951 -0.122) 1.735 12.830 ( 0.898 -0.729 0.254) 1.185 13.536 ( 0.564 1.331 -2.520) 2.905 13.740 ( -1.781 -1.286 2.482) 3.314 17.439 ( -0.481 0.155 -1.424) 1.511 17.572 ( -1.218 -1.199 2.442) 2.981 17.789 ( -1.792 2.831 -1.786) 3.796 17.844 ( -0.765 -2.942 -1.418) 3.354 18.518 ( 2.326 0.428 -0.812) 2.501 18.602 ( 0.984 -0.259 1.678) 1.963 28.211 ( -0.792 -0.024 -0.087) 0.797 28.236 ( 0.478 -0.052 0.664) 0.820 31.579 ( 4.178 0.614 -2.310) 4.814 31.816 ( -4.050 -1.530 -3.279) 5.431 32.050 ( -1.343 -1.201 -1.793) 2.541 32.237 ( 9.883 -0.487 13.958) 17.110 33.446 ( 4.075 14.173 -7.994) 16.774 34.058 ( -5.802 -10.997 0.629) 12.449 ======================= Grid point 385 (150/216) ======================= q-point: (-0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 9.055 -0.000 -10.533) 13.890 2.487 ( 8.017 -0.000 -12.050) 14.474 2.686 ( -7.600 0.000 11.452) 13.744 2.953 ( -8.549 0.000 19.761) 21.531 3.253 ( -7.626 -0.000 -9.401) 12.106 3.270 ( 16.951 -0.000 -0.239) 16.952 3.731 ( 0.137 -0.000 -3.833) 3.835 4.028 ( 6.422 0.000 2.016) 6.731 4.044 ( 6.986 -0.000 -1.204) 7.089 4.303 ( 2.425 0.000 3.594) 4.336 4.526 ( -16.781 0.000 13.061) 21.264 4.553 ( 6.558 0.000 5.019) 8.258 4.648 ( 0.217 -0.000 -3.489) 3.496 4.967 ( 11.667 -0.000 0.045) 11.667 5.355 ( -5.858 0.000 3.669) 6.912 5.501 ( 11.385 -0.000 -2.236) 11.603 5.690 ( 6.879 -0.000 -14.535) 16.081 5.836 ( -12.795 0.000 3.177) 13.183 5.908 ( -6.574 -0.000 -1.699) 6.790 6.141 ( -0.712 0.000 10.577) 10.600 6.978 ( 6.180 -0.000 -7.976) 10.091 7.167 ( -1.275 0.000 5.432) 5.580 7.253 ( -0.700 -0.000 -2.710) 2.799 7.428 ( 0.166 -0.000 -1.178) 1.190 12.771 ( 1.699 -0.000 0.050) 1.700 12.825 ( -0.159 0.000 0.590) 0.611 13.509 ( 0.658 -0.000 -3.288) 3.353 13.791 ( -2.589 0.000 3.032) 3.986 17.437 ( -0.484 -0.000 -1.352) 1.436 17.599 ( -0.429 0.000 3.029) 3.059 17.822 ( -1.643 -0.000 -2.233) 2.772 17.826 ( -1.263 -0.000 -1.525) 1.980 18.476 ( 2.370 -0.000 -1.077) 2.603 18.596 ( 0.864 0.000 1.037) 1.350 28.225 ( -0.797 0.000 0.134) 0.808 28.230 ( 0.670 0.000 0.252) 0.716 31.519 ( 2.119 -0.000 -0.539) 2.186 31.859 ( -4.389 -0.000 -1.409) 4.610 32.072 ( -3.268 -0.000 -1.610) 3.643 32.181 ( 9.402 0.000 12.885) 15.951 33.362 ( 5.764 -0.000 -10.653) 12.112 34.114 ( -5.934 0.000 2.586) 6.473 ======================= Grid point 392 (151/216) ======================= q-point: ( 0.36 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -0.000 21.101 10.020) 23.359 1.502 ( 0.000 20.052 22.567) 30.188 2.690 ( -0.000 28.384 6.818) 29.191 2.920 ( -0.000 2.412 0.776) 2.533 2.953 ( -0.000 13.908 2.147) 14.073 3.353 ( -0.000 6.801 4.650) 8.239 3.637 ( 0.000 -4.653 6.922) 8.340 3.643 ( 0.000 -8.905 -6.276) 10.894 3.984 ( -0.000 4.824 2.424) 5.399 4.158 ( 0.000 -9.681 -0.006) 9.681 4.163 ( -0.000 23.895 4.574) 24.329 4.450 ( 0.000 -7.066 3.290) 7.795 4.739 ( -0.000 1.641 -0.234) 1.658 4.941 ( 0.000 -5.071 1.468) 5.280 4.996 ( 0.000 -1.399 4.645) 4.851 5.333 ( 0.000 -5.283 -1.825) 5.590 5.568 ( 0.000 -1.329 1.547) 2.040 6.200 ( -0.000 5.649 -2.504) 6.180 6.318 ( -0.000 2.345 0.205) 2.354 6.849 ( -0.000 -3.714 -29.803) 30.033 6.906 ( -0.000 5.158 -2.306) 5.650 7.163 ( -0.000 -0.572 -6.534) 6.559 7.456 ( -0.000 -0.855 -6.385) 6.442 7.782 ( 0.000 -12.992 19.871) 23.742 12.771 ( -0.000 1.650 0.410) 1.700 12.958 ( 0.000 -1.637 -0.242) 1.655 13.446 ( -0.000 3.558 -0.135) 3.561 13.874 ( 0.000 -5.200 -0.936) 5.284 17.440 ( 0.000 -1.312 -1.328) 1.866 17.464 ( 0.000 0.916 2.750) 2.899 17.642 ( -0.000 0.541 -0.148) 0.561 17.962 ( 0.000 -1.412 -0.488) 1.494 18.596 ( -0.000 0.416 0.344) 0.540 18.599 ( -0.000 1.027 0.454) 1.123 28.183 ( 0.000 0.261 0.347) 0.434 28.250 ( 0.000 -0.578 -0.004) 0.578 31.451 ( -0.000 1.718 1.596) 2.345 31.961 ( -0.000 10.521 0.779) 10.549 32.221 ( 0.000 -7.353 -3.113) 7.985 32.662 ( -0.000 -3.267 -5.034) 6.001 33.000 ( -0.000 10.498 6.297) 12.242 34.235 ( 0.000 -7.849 -3.900) 8.764 ======================= Grid point 393 (152/216) ======================= q-point: ( 0.45 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -8.458 17.074 14.459) 23.919 1.889 ( -6.923 18.595 18.633) 27.219 2.771 ( 7.081 5.081 -4.412) 9.769 2.960 ( -0.939 -2.383 3.326) 4.198 3.164 ( -2.967 14.361 6.831) 16.178 3.447 ( -0.296 -3.996 4.491) 6.018 3.616 ( -0.745 -0.519 5.169) 5.248 3.668 ( -5.230 5.289 7.118) 10.295 3.950 ( 7.790 -8.532 1.597) 11.663 4.063 ( 2.992 7.205 2.362) 8.152 4.394 ( 0.092 12.816 1.980) 12.968 4.512 ( -5.303 8.339 7.112) 12.175 4.743 ( 2.918 5.544 -1.340) 6.407 4.993 ( -0.607 -4.769 4.998) 6.934 5.085 ( -14.950 -4.184 2.892) 15.791 5.250 ( 1.462 -5.714 -0.785) 5.950 5.574 ( -1.228 -2.904 1.386) 3.444 6.160 ( 11.868 1.972 -7.333) 14.089 6.254 ( 4.936 2.856 -0.272) 5.709 6.563 ( 5.580 -1.341 -12.212) 13.493 7.019 ( -7.546 1.943 -8.934) 11.854 7.108 ( -1.878 0.587 -9.068) 9.279 7.392 ( 0.617 -0.121 -7.191) 7.218 7.743 ( 3.842 -12.084 9.820) 16.038 12.786 ( 0.500 1.823 0.551) 1.969 12.932 ( 0.944 -1.691 -0.283) 1.957 13.476 ( 0.582 3.842 0.353) 3.901 13.817 ( 0.193 -4.927 -1.073) 5.046 17.428 ( -0.962 -0.610 -1.677) 2.028 17.501 ( -1.670 -0.610 2.620) 3.167 17.653 ( -0.803 1.277 -0.887) 1.750 17.937 ( 0.149 -2.464 -0.941) 2.642 18.588 ( 1.571 1.159 0.065) 1.954 18.619 ( -0.281 0.332 1.387) 1.454 28.191 ( -0.317 0.264 0.309) 0.516 28.243 ( 0.159 -0.540 0.197) 0.596 31.492 ( -1.954 2.231 0.401) 2.992 32.024 ( 4.365 5.578 -1.715) 7.287 32.130 ( -1.672 -6.000 -3.106) 6.960 32.556 ( 6.373 -1.861 0.175) 6.641 33.124 ( 2.786 13.289 3.796) 14.099 34.170 ( -5.038 -9.640 -4.309) 11.700 ======================= Grid point 394 (153/216) ======================= q-point: ( 0.55 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -2.467 12.780 15.948) 20.585 2.312 ( -12.686 13.388 10.054) 21.006 2.628 ( 5.441 -2.982 -6.807) 9.211 2.919 ( 2.379 -5.650 0.149) 6.132 3.337 ( 3.072 5.323 6.556) 8.986 3.442 ( -2.248 -0.825 6.645) 7.063 3.684 ( 2.158 4.834 9.398) 10.786 3.802 ( 0.476 -5.903 0.945) 5.997 3.859 ( -1.536 3.185 7.627) 8.407 4.211 ( -6.913 11.953 5.408) 14.829 4.494 ( -1.381 3.640 1.877) 4.322 4.652 ( 5.411 3.506 7.929) 10.220 4.730 ( 5.082 7.379 -3.172) 9.504 5.047 ( -4.934 -5.815 11.033) 13.412 5.203 ( -2.880 4.228 1.786) 5.418 5.309 ( -11.875 -4.266 -0.132) 12.619 5.571 ( -3.457 -4.821 -0.045) 5.933 5.867 ( 14.512 -2.557 -3.928) 15.250 6.195 ( 5.261 0.936 -5.094) 7.383 6.418 ( 6.529 0.770 -5.486) 8.562 6.993 ( -0.533 1.625 -11.766) 11.889 7.146 ( -6.507 1.811 -8.631) 10.960 7.342 ( -0.517 0.393 -5.780) 5.816 7.604 ( 6.793 -8.728 2.969) 11.451 12.797 ( 0.845 1.881 0.481) 2.118 12.896 ( 1.490 -1.481 -0.311) 2.123 13.505 ( 0.643 3.550 0.450) 3.635 13.767 ( -0.142 -4.127 -0.599) 4.173 17.426 ( -0.759 -0.366 -1.450) 1.677 17.540 ( -2.385 -1.757 2.327) 3.767 17.679 ( -1.546 2.347 -1.655) 3.262 17.899 ( 0.137 -3.318 -1.437) 3.618 18.571 ( 2.087 1.302 -0.325) 2.482 18.632 ( 0.337 -0.117 1.850) 1.884 28.197 ( -0.194 -0.021 -0.118) 0.228 28.243 ( -0.109 -0.192 0.766) 0.797 31.554 ( -3.036 2.423 -0.440) 3.909 31.900 ( 4.668 -4.689 -6.815) 9.498 32.100 ( 1.606 -0.798 -2.303) 2.919 32.489 ( 6.164 1.482 9.294) 11.250 33.224 ( 3.565 16.175 0.041) 16.563 34.124 ( -5.898 -12.078 -4.570) 14.197 ======================= Grid point 395 (154/216) ======================= q-point: ( 0.64 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 1.184 3.153 -6.526) 7.344 2.541 ( 1.188 0.429 10.182) 10.260 2.639 ( -8.862 5.709 8.336) 13.439 2.792 ( 5.601 -4.121 -3.883) 7.965 3.312 ( 9.278 0.048 14.979) 17.620 3.569 ( -4.007 5.150 -1.745) 6.754 3.682 ( 2.903 -0.366 2.033) 3.563 3.871 ( -0.790 7.108 1.916) 7.403 3.988 ( -7.557 0.813 13.092) 15.138 4.402 ( -1.042 -3.828 3.498) 5.289 4.486 ( 7.202 2.200 1.728) 7.726 4.634 ( 1.966 1.959 5.772) 6.405 4.704 ( 5.792 8.744 2.602) 10.806 5.133 ( -3.558 -6.270 9.861) 12.215 5.349 ( -2.202 1.996 -2.779) 4.069 5.422 ( -8.579 2.548 3.991) 9.798 5.602 ( -5.281 -4.465 -1.178) 7.015 5.717 ( 0.115 -2.760 5.506) 6.160 6.016 ( 9.296 -2.125 -10.077) 13.873 6.267 ( 8.220 0.629 -4.786) 9.533 6.953 ( -2.545 3.587 -11.129) 11.967 7.148 ( -0.413 -0.615 -8.581) 8.613 7.339 ( -3.397 1.036 -5.391) 6.455 7.450 ( 6.836 -3.621 2.189) 8.039 12.801 ( 1.122 1.593 0.278) 1.968 12.858 ( 1.468 -1.114 -0.177) 1.852 13.520 ( 0.980 2.096 -0.711) 2.421 13.746 ( -1.225 -2.323 0.850) 2.760 17.424 ( -0.497 -0.272 -1.035) 1.180 17.577 ( -2.199 -1.701 2.411) 3.680 17.717 ( -1.944 2.882 -2.110) 4.067 17.855 ( -0.281 -3.600 -1.808) 4.039 18.543 ( 2.426 1.047 -0.666) 2.724 18.633 ( 0.943 -0.357 1.759) 2.028 28.200 ( -0.545 -0.086 -0.179) 0.580 28.249 ( 0.223 -0.046 0.873) 0.902 31.605 ( 0.026 1.514 -0.207) 1.529 31.759 ( 0.068 -3.626 -6.047) 7.051 32.038 ( 0.442 -2.568 -3.944) 4.727 32.492 ( 8.528 1.930 15.021) 17.381 33.312 ( 4.232 17.734 -3.710) 18.606 34.064 ( -6.521 -13.540 -4.325) 15.639 ======================= Grid point 396 (155/216) ======================= q-point: (-0.27 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.230 -1.477 -13.469) 13.929 2.528 ( 8.196 -1.660 -11.293) 14.053 2.722 ( -0.227 2.537 17.119) 17.308 2.887 ( -10.479 -0.205 6.670) 12.423 3.299 ( 7.576 1.255 15.436) 17.241 3.536 ( 11.771 0.151 5.148) 12.848 3.685 ( -2.871 -1.311 -1.616) 3.546 3.964 ( 3.396 16.117 0.821) 16.492 4.245 ( 1.287 -3.430 4.718) 5.974 4.299 ( -8.864 -9.274 4.069) 13.459 4.434 ( 3.291 4.588 7.487) 9.378 4.623 ( 2.381 1.150 -1.731) 3.160 4.728 ( 6.740 1.636 5.634) 8.936 5.143 ( 6.411 -1.227 0.923) 6.592 5.330 ( -1.722 -3.081 2.818) 4.516 5.600 ( -3.319 1.479 -6.243) 7.224 5.663 ( -2.188 1.428 5.749) 6.315 5.726 ( 5.808 -3.827 -10.209) 12.353 5.785 ( -5.065 -2.080 -4.957) 7.386 6.202 ( -0.704 0.328 8.469) 8.504 6.974 ( -3.723 3.790 -8.041) 9.638 7.039 ( 1.828 -2.412 -8.997) 9.492 7.362 ( -0.599 1.271 -1.784) 2.271 7.378 ( 1.725 -0.519 1.808) 2.552 12.794 ( 1.441 0.712 0.132) 1.613 12.833 ( 0.665 -0.409 0.211) 0.808 13.502 ( 1.303 0.475 -1.972) 2.411 13.774 ( -2.346 -0.471 2.058) 3.156 17.422 ( -0.386 -0.084 -0.847) 0.935 17.612 ( -1.440 -0.954 2.864) 3.345 17.757 ( -1.925 2.693 -2.377) 4.076 17.818 ( -0.944 -3.138 -1.978) 3.827 18.506 ( 2.553 0.507 -0.834) 2.734 18.623 ( 1.334 -0.274 1.208) 1.820 28.211 ( -0.961 -0.008 -0.002) 0.962 28.246 ( 0.809 -0.042 0.580) 0.996 31.566 ( 3.851 0.245 0.589) 3.903 31.765 ( -6.086 -1.723 -3.248) 7.110 32.002 ( -2.846 -1.518 -4.648) 5.658 32.462 ( 11.794 0.729 15.934) 19.837 33.339 ( 6.656 12.286 -6.254) 15.308 34.040 ( -8.643 -9.364 -3.055) 13.104 ======================= Grid point 397 (156/216) ======================= q-point: (-0.18 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 5.742 -0.000 -10.177) 11.685 2.258 ( 11.640 -0.000 -15.617) 19.478 2.899 ( -5.189 0.000 14.243) 15.159 3.055 ( -8.477 -0.000 -4.240) 9.479 3.351 ( 18.097 0.000 10.836) 21.094 3.361 ( 0.843 0.000 19.943) 19.961 3.704 ( -0.224 0.000 1.695) 1.709 4.030 ( 6.887 -0.000 -0.332) 6.895 4.054 ( 7.203 -0.000 1.490) 7.355 4.334 ( 4.103 -0.000 -0.063) 4.103 4.584 ( 1.642 -0.000 -1.227) 2.050 4.619 ( 6.767 -0.000 0.244) 6.771 4.696 ( -13.151 0.000 9.873) 16.445 4.953 ( 10.703 -0.000 -2.225) 10.932 5.266 ( 9.394 -0.000 -15.209) 17.876 5.350 ( 15.321 -0.000 -15.734) 21.961 5.594 ( -5.519 0.000 2.494) 6.057 5.881 ( -6.868 -0.000 -2.117) 7.187 5.895 ( -13.330 0.000 3.182) 13.704 6.358 ( -2.980 0.000 16.539) 16.805 6.872 ( 6.190 -0.000 -5.047) 7.987 7.087 ( -11.476 -0.000 -8.707) 14.405 7.381 ( -2.744 -0.000 -5.495) 6.143 7.381 ( 1.775 0.000 11.898) 12.029 12.776 ( 1.403 0.000 0.551) 1.507 12.832 ( -0.375 0.000 0.366) 0.524 13.467 ( 1.298 -0.000 -2.338) 2.675 13.830 ( -2.909 0.000 2.187) 3.640 17.420 ( -0.236 -0.000 -1.005) 1.032 17.646 ( -0.588 0.000 3.198) 3.251 17.786 ( -1.828 -0.000 -2.578) 3.160 17.801 ( -1.198 -0.000 -1.925) 2.267 18.462 ( 2.535 -0.000 -0.796) 2.657 18.606 ( 1.438 0.000 0.354) 1.481 28.227 ( -0.890 0.000 0.120) 0.898 28.233 ( 1.017 -0.000 0.194) 1.036 31.530 ( 2.404 0.000 1.873) 3.047 31.834 ( -6.440 -0.000 -1.680) 6.655 32.031 ( -5.378 -0.000 -3.705) 6.530 32.380 ( 12.837 0.000 13.290) 18.477 33.230 ( 7.800 -0.000 -7.138) 10.573 34.122 ( -8.979 0.000 -1.279) 9.069 ======================= Grid point 404 (157/216) ======================= q-point: ( 0.45 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -0.000 18.874 15.737) 24.574 1.880 ( 0.000 17.435 26.019) 31.320 2.801 ( -0.000 10.134 5.538) 11.549 2.908 ( -0.000 4.003 -2.150) 4.544 3.030 ( -0.000 19.530 9.471) 21.705 3.475 ( 0.000 5.393 10.748) 12.026 3.547 ( -0.000 5.181 -4.674) 6.978 3.716 ( 0.000 -3.138 0.968) 3.284 4.066 ( 0.000 9.084 11.360) 14.545 4.171 ( 0.000 -13.660 2.176) 13.832 4.269 ( -0.000 15.985 8.750) 18.223 4.489 ( 0.000 -5.256 1.414) 5.443 4.749 ( 0.000 -1.225 2.186) 2.506 4.974 ( 0.000 -4.181 3.230) 5.283 5.099 ( 0.000 -2.004 8.994) 9.214 5.295 ( 0.000 -4.767 -3.324) 5.812 5.602 ( 0.000 -0.432 2.949) 2.981 6.116 ( -0.000 5.958 -9.984) 11.626 6.322 ( -0.000 2.399 0.298) 2.417 6.490 ( -0.000 1.836 -16.353) 16.456 6.854 ( -0.000 4.328 -4.763) 6.436 7.022 ( -0.000 0.273 -12.364) 12.367 7.322 ( -0.000 0.652 -11.227) 11.246 7.971 ( 0.000 -15.489 5.175) 16.331 12.782 ( -0.000 1.458 1.182) 1.877 12.952 ( 0.000 -1.435 -0.542) 1.534 13.453 ( -0.000 3.228 1.222) 3.452 13.853 ( 0.000 -4.779 -1.933) 5.155 17.415 ( -0.000 -1.323 -1.793) 2.228 17.502 ( 0.000 0.837 1.600) 1.806 17.650 ( 0.000 -1.686 1.744) 2.426 17.951 ( 0.000 -1.747 -0.935) 1.981 18.601 ( -0.000 1.562 0.142) 1.568 18.606 ( -0.000 1.229 0.415) 1.297 28.190 ( 0.000 0.215 0.636) 0.671 28.250 ( 0.000 -0.528 -0.060) 0.532 31.483 ( 0.000 -1.831 2.789) 3.336 31.984 ( -0.000 10.835 2.462) 11.111 32.153 ( 0.000 -9.198 -6.070) 11.021 32.580 ( -0.000 2.129 -5.730) 6.113 33.112 ( 0.000 6.516 8.474) 10.690 34.154 ( -0.000 -5.481 -6.994) 8.886 ======================= Grid point 405 (158/216) ======================= q-point: ( 0.55 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -10.242 15.284 13.995) 23.116 2.206 ( 0.795 15.443 20.476) 25.659 2.721 ( 8.165 -0.091 -2.262) 8.473 2.976 ( -2.790 -5.394 -0.669) 6.109 3.219 ( -2.923 10.509 0.032) 10.908 3.571 ( 2.532 3.114 11.525) 12.204 3.726 ( -1.025 8.770 6.792) 11.140 3.768 ( -2.875 10.580 6.180) 12.586 4.014 ( 4.147 -12.288 7.900) 15.185 4.137 ( 3.207 1.452 9.447) 10.082 4.434 ( 0.951 9.744 3.623) 10.439 4.591 ( -4.817 11.464 1.692) 12.550 4.767 ( 1.553 2.249 6.693) 7.230 5.039 ( -7.527 -6.042 1.618) 9.786 5.172 ( -3.031 -1.835 6.332) 7.256 5.245 ( -4.085 -5.280 1.555) 6.854 5.600 ( 1.049 -2.816 1.881) 3.546 6.006 ( 7.894 1.275 -11.904) 14.341 6.250 ( 7.236 2.064 -0.358) 7.533 6.433 ( 1.533 1.416 -5.527) 5.908 6.882 ( -1.866 1.705 -10.709) 11.003 6.951 ( -4.402 2.660 -11.276) 12.394 7.261 ( -1.018 1.856 -9.979) 10.201 7.810 ( 4.789 -12.888 -0.875) 13.777 12.799 ( 0.729 1.597 1.206) 2.130 12.926 ( 1.009 -1.413 -0.552) 1.822 13.490 ( 0.444 3.191 1.668) 3.628 13.796 ( -0.015 -4.270 -1.858) 4.657 17.403 ( -1.019 -0.492 -1.510) 1.887 17.531 ( -1.554 0.497 0.722) 1.784 17.650 ( -0.670 -1.591 1.130) 2.063 17.919 ( 0.142 -2.919 -1.533) 3.300 18.588 ( 2.213 1.730 -0.237) 2.819 18.638 ( -0.893 0.571 1.118) 1.540 28.197 ( 0.047 0.117 0.409) 0.429 28.247 ( -0.239 -0.382 0.234) 0.508 31.502 ( -2.372 -1.076 1.006) 2.793 31.972 ( 4.391 -5.128 -5.645) 8.801 32.099 ( 0.541 3.159 -0.530) 3.248 32.559 ( 1.307 3.612 0.182) 3.845 33.196 ( 5.058 9.481 5.969) 12.292 34.088 ( -5.011 -7.804 -6.776) 11.486 ======================= Grid point 406 (159/216) ======================= q-point: ( 0.64 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.407 0.307 0.141) 0.529 2.482 ( -6.847 14.717 11.258) 19.754 2.642 ( 2.891 1.136 7.977) 8.561 2.902 ( 4.497 -4.102 0.005) 6.087 3.346 ( -2.324 10.470 -3.429) 11.259 3.635 ( 4.842 0.930 14.806) 15.605 3.763 ( 0.896 -4.548 1.936) 5.024 3.856 ( 1.132 0.034 9.058) 9.128 4.009 ( 0.738 3.635 8.675) 9.435 4.345 ( -7.609 7.940 13.236) 17.209 4.521 ( 1.790 7.022 2.440) 7.646 4.660 ( 3.280 6.851 -4.050) 8.608 4.803 ( 7.292 1.972 10.554) 12.979 5.130 ( -9.221 -6.873 -0.295) 11.505 5.270 ( -7.615 7.098 4.895) 11.504 5.326 ( -3.460 -5.818 3.231) 7.500 5.567 ( -2.292 -5.030 -0.930) 5.605 5.827 ( 5.363 -1.819 -0.410) 5.678 6.122 ( 9.642 -0.226 -4.551) 10.664 6.339 ( 6.975 1.310 -5.260) 8.834 6.812 ( -1.271 1.728 -12.059) 12.249 7.008 ( -6.591 2.750 -9.938) 12.238 7.240 ( -1.842 2.198 -7.351) 7.891 7.606 ( 5.853 -8.466 -2.771) 10.659 12.807 ( 1.144 1.615 0.908) 2.178 12.890 ( 1.537 -1.136 -0.508) 1.978 13.517 ( 1.039 2.305 1.154) 2.779 13.756 ( -0.773 -2.965 -0.914) 3.198 17.408 ( -0.834 0.024 -0.851) 1.191 17.568 ( -2.431 -0.397 0.786) 2.586 17.662 ( -1.432 -0.234 0.057) 1.452 17.873 ( -0.008 -3.767 -2.102) 4.313 18.563 ( 2.501 1.650 -0.692) 3.075 18.657 ( 0.071 -0.085 1.423) 1.427 28.196 ( 0.033 -0.128 -0.039) 0.138 28.254 ( -0.352 -0.052 0.702) 0.787 31.551 ( -4.318 -0.498 0.176) 4.350 31.803 ( 3.858 -6.162 -6.287) 9.612 32.058 ( 4.015 -0.008 -3.140) 5.097 32.634 ( 1.274 6.414 9.840) 11.815 33.232 ( 6.648 12.891 1.162) 14.551 34.040 ( -6.215 -11.020 -6.708) 14.320 ======================= Grid point 407 (160/216) ======================= q-point: ( 0.73 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 2.650 -5.648 -10.441) 12.162 2.618 ( 7.598 -2.237 -3.603) 8.702 2.778 ( -6.679 7.740 9.318) 13.833 2.854 ( 3.885 2.580 13.345) 14.136 3.421 ( 1.623 9.166 -2.893) 9.748 3.667 ( 3.678 0.228 12.040) 12.592 3.758 ( 0.472 -5.837 11.366) 12.786 3.899 ( 1.949 6.976 3.292) 7.956 4.168 ( -7.008 2.769 10.475) 12.904 4.444 ( 2.695 -8.120 2.581) 8.937 4.534 ( 9.889 9.317 3.990) 14.161 4.637 ( 3.327 3.344 -0.963) 4.814 4.817 ( 3.341 4.350 8.413) 10.043 5.209 ( -0.734 2.310 -0.634) 2.506 5.289 ( -4.056 -5.102 -2.249) 6.894 5.485 ( -8.802 -2.958 2.187) 9.540 5.580 ( -9.240 -2.812 -1.863) 9.837 5.792 ( 5.890 -0.033 1.478) 6.072 5.871 ( 13.908 -2.576 -9.048) 16.791 6.240 ( 1.191 1.466 3.852) 4.290 6.798 ( -5.252 1.306 -9.376) 10.826 7.020 ( -0.614 1.394 -8.514) 8.650 7.243 ( -3.193 1.416 -7.122) 7.932 7.467 ( 3.279 -2.760 0.046) 4.286 12.807 ( 1.312 1.240 0.476) 1.867 12.855 ( 1.367 -0.677 -0.228) 1.543 13.512 ( 1.736 0.705 -0.374) 1.911 13.758 ( -1.966 -1.022 0.695) 2.322 17.414 ( -0.296 0.071 -0.262) 0.402 17.610 ( -2.506 -0.708 1.580) 3.046 17.690 ( -1.903 1.227 -1.024) 2.485 17.824 ( -0.552 -3.895 -2.361) 4.588 18.531 ( 2.583 1.223 -0.890) 2.993 18.655 ( 1.048 -0.392 1.209) 1.648 28.198 ( -0.593 -0.082 -0.076) 0.603 28.260 ( 0.331 0.001 0.666) 0.744 31.615 ( -1.560 -0.313 1.566) 2.233 31.680 ( -1.075 -3.103 -4.578) 5.634 31.967 ( 0.989 -2.935 -5.450) 6.268 32.721 ( 7.814 4.582 15.656) 18.088 33.259 ( 6.248 16.307 -3.432) 17.797 33.982 ( -7.950 -13.361 -6.551) 16.871 ======================= Grid point 408 (161/216) ======================= q-point: (-0.18 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 1.356 -3.934 -10.263) 11.075 2.374 ( 13.258 -1.939 -8.666) 15.957 2.950 ( -0.117 1.412 11.928) 12.012 2.959 ( -3.791 2.122 4.425) 6.201 3.449 ( 0.102 4.069 0.901) 4.169 3.675 ( 8.325 -1.037 12.692) 15.214 3.795 ( 4.351 -0.218 17.213) 17.756 3.983 ( 3.123 13.925 3.019) 14.586 4.274 ( 5.426 -13.512 0.627) 14.574 4.358 ( -2.634 0.671 3.231) 4.222 4.548 ( -0.875 9.327 5.324) 10.775 4.589 ( 3.953 2.031 -1.051) 4.567 4.785 ( 5.035 -4.376 1.434) 6.823 5.096 ( 9.404 -0.642 -7.017) 11.751 5.348 ( 2.692 -1.563 -1.663) 3.529 5.478 ( 12.314 -0.167 -10.009) 15.870 5.563 ( 7.901 -1.105 -6.675) 10.402 5.695 ( -12.420 -1.009 -0.144) 12.461 5.748 ( -9.873 -2.824 -2.128) 10.487 6.406 ( -5.807 1.751 16.711) 17.778 6.859 ( -9.115 0.537 -6.929) 11.462 6.934 ( 4.950 0.099 -4.737) 6.852 7.257 ( -4.900 0.565 -9.276) 10.506 7.452 ( 0.127 0.603 4.708) 4.748 12.797 ( 1.256 0.495 0.278) 1.379 12.836 ( 0.556 -0.119 0.134) 0.584 13.479 ( 1.884 -0.042 -1.204) 2.236 13.799 ( -2.726 -0.001 1.359) 3.046 17.414 ( 0.072 0.011 -0.228) 0.239 17.654 ( -1.741 -0.350 2.535) 3.095 17.724 ( -1.998 1.625 -1.827) 3.157 17.787 ( -1.102 -3.030 -2.244) 3.929 18.494 ( 2.517 0.554 -0.761) 2.687 18.637 ( 1.750 -0.279 0.643) 1.885 28.211 ( -1.064 0.009 0.022) 1.064 28.253 ( 1.063 -0.024 0.385) 1.131 31.592 ( 3.750 1.414 2.575) 4.764 31.728 ( -7.462 -3.088 -1.446) 8.204 31.918 ( -4.245 -1.956 -6.467) 7.979 32.690 ( 13.878 1.650 14.127) 19.871 33.263 ( 8.271 12.148 -3.953) 15.219 33.975 ( -11.531 -9.451 -5.235) 15.802 ======================= Grid point 409 (162/216) ======================= q-point: (-0.09 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 3.108 -0.000 -6.503) 7.207 2.069 ( 16.129 -0.000 -9.146) 18.542 3.002 ( -1.272 -0.000 -2.286) 2.616 3.054 ( -3.652 0.000 6.393) 7.363 3.539 ( -6.030 0.000 3.244) 6.847 3.586 ( 15.972 0.000 19.816) 25.451 3.845 ( 7.283 0.000 13.069) 14.961 4.065 ( 4.612 0.000 7.929) 9.173 4.071 ( 7.905 -0.000 0.728) 7.939 4.270 ( 10.645 -0.000 -9.536) 14.292 4.541 ( -0.532 -0.000 -4.473) 4.504 4.630 ( 7.742 -0.000 0.777) 7.781 4.815 ( -11.392 0.000 5.985) 12.869 4.888 ( 7.338 -0.000 -6.024) 9.494 5.069 ( 14.559 -0.000 -8.359) 16.788 5.088 ( 18.966 -0.000 -17.641) 25.902 5.665 ( -9.936 0.000 5.530) 11.372 5.843 ( -7.077 -0.000 -2.967) 7.674 5.926 ( -14.031 0.000 1.244) 14.086 6.542 ( 5.293 0.000 6.074) 8.056 6.887 ( -1.458 0.000 8.658) 8.780 6.973 ( -10.551 -0.000 -6.074) 12.175 7.262 ( -4.894 -0.000 -10.505) 11.589 7.532 ( -3.677 0.000 7.683) 8.518 12.785 ( 0.945 0.000 0.545) 1.091 12.836 ( -0.466 0.000 0.174) 0.498 13.441 ( 1.741 -0.000 -1.205) 2.117 13.855 ( -3.096 0.000 1.154) 3.304 17.408 ( 0.327 -0.000 -0.587) 0.672 17.692 ( -0.703 0.000 3.025) 3.105 17.752 ( -2.049 -0.000 -1.770) 2.708 17.770 ( -1.065 -0.000 -2.262) 2.500 18.453 ( 2.480 -0.000 -0.460) 2.522 18.608 ( 2.007 -0.000 0.018) 2.007 28.228 ( -0.938 0.000 0.068) 0.941 28.236 ( 1.256 -0.000 0.100) 1.260 31.565 ( 3.529 0.000 2.486) 4.317 31.814 ( -7.550 0.000 -0.946) 7.609 31.973 ( -7.882 -0.000 -3.684) 8.700 32.550 ( 15.460 0.000 8.861) 17.819 33.152 ( 9.265 -0.000 -3.403) 9.870 34.090 ( -11.728 0.000 -2.407) 11.972 ======================= Grid point 410 (163/216) ======================= q-point: ( 0.00 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 2.188 -0.000 0.000) 2.188 2.000 ( 17.964 -0.000 0.000) 17.964 2.986 ( 1.129 -0.000 0.000) 1.129 3.099 ( -2.588 0.000 -0.000) 2.588 3.553 ( -7.922 0.000 -0.000) 7.922 3.811 ( 9.407 -0.000 0.000) 9.407 3.924 ( 10.330 -0.000 0.000) 10.330 4.069 ( 10.972 -0.000 0.000) 10.972 4.132 ( 17.661 -0.000 0.000) 17.661 4.218 ( 3.526 -0.000 0.000) 3.526 4.468 ( -3.136 0.000 -0.000) 3.136 4.638 ( 6.468 -0.000 0.000) 6.468 4.830 ( 0.484 -0.000 0.000) 0.484 4.867 ( -8.798 0.000 -0.000) 8.798 4.930 ( 23.129 -0.000 0.000) 23.129 5.013 ( 17.132 -0.000 0.000) 17.132 5.720 ( -12.004 0.000 -0.000) 12.004 5.809 ( -6.321 0.000 -0.000) 6.321 5.935 ( -14.568 0.000 -0.000) 14.568 6.571 ( 10.453 -0.000 0.000) 10.453 6.925 ( -9.953 0.000 -0.000) 9.953 7.062 ( -8.388 0.000 -0.000) 8.388 7.090 ( -3.325 0.000 -0.000) 3.325 7.591 ( -5.578 0.000 -0.000) 5.578 12.789 ( 0.719 -0.000 0.000) 0.719 12.837 ( -0.489 0.000 -0.000) 0.489 13.432 ( 1.900 -0.000 0.000) 1.900 13.864 ( -3.157 0.000 -0.000) 3.157 17.404 ( 0.652 -0.000 0.000) 0.652 17.733 ( 0.272 -0.000 0.000) 0.272 17.734 ( -2.010 0.000 -0.000) 2.010 17.738 ( -2.169 0.000 -0.000) 2.169 18.449 ( 2.422 -0.000 0.000) 2.422 18.608 ( 2.243 -0.000 0.000) 2.243 28.228 ( -0.953 0.000 -0.000) 0.953 28.236 ( 1.340 -0.000 0.000) 1.340 31.587 ( 4.501 -0.000 0.000) 4.501 31.807 ( -7.928 0.000 -0.000) 7.928 31.941 ( -9.351 0.000 -0.000) 9.351 32.619 ( 16.619 -0.000 0.000) 16.619 33.127 ( 9.784 -0.000 0.000) 9.784 34.069 ( -12.970 0.000 -0.000) 12.970 ======================= Grid point 416 (164/216) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.000 16.887 17.395) 24.244 2.230 ( 0.000 16.833 21.113) 27.002 2.822 ( 0.000 5.790 -1.895) 6.092 2.872 ( -0.000 1.646 -2.287) 2.818 3.144 ( 0.000 2.351 1.287) 2.680 3.603 ( 0.000 23.526 13.857) 27.303 3.615 ( 0.000 13.806 1.197) 13.858 3.665 ( -0.000 0.640 -0.461) 0.789 4.241 ( 0.000 -13.236 8.515) 15.738 4.328 ( 0.000 -4.457 19.699) 20.197 4.387 ( 0.000 15.100 8.967) 17.562 4.491 ( -0.000 -3.284 -0.877) 3.399 4.813 ( 0.000 -3.535 6.032) 6.991 5.047 ( 0.000 -2.684 7.123) 7.612 5.225 ( 0.000 -3.235 1.052) 3.401 5.254 ( -0.000 -3.638 3.863) 5.306 5.645 ( 0.000 0.184 2.288) 2.296 5.929 ( 0.000 5.115 -12.707) 13.698 6.326 ( 0.000 2.522 0.208) 2.530 6.360 ( -0.000 3.113 -3.735) 4.863 6.766 ( 0.000 3.270 -7.105) 7.821 6.807 ( -0.000 1.363 -16.218) 16.275 7.146 ( 0.000 2.732 -11.345) 11.670 7.939 ( -0.000 -12.824 -8.884) 15.600 12.806 ( 0.000 1.040 1.961) 2.220 12.941 ( -0.000 -1.124 -0.925) 1.456 13.486 ( 0.000 2.179 3.257) 3.919 13.817 ( -0.000 -4.088 -3.005) 5.074 17.392 ( 0.000 -1.176 -1.157) 1.649 17.501 ( -0.000 1.409 -1.504) 2.061 17.697 ( 0.000 -4.178 4.250) 5.960 17.934 ( 0.000 -2.312 -1.397) 2.701 18.600 ( 0.000 2.649 -0.283) 2.664 18.609 ( -0.000 1.521 -0.064) 1.522 28.201 ( -0.000 0.140 0.820) 0.832 28.248 ( -0.000 -0.447 -0.195) 0.488 31.532 ( -0.000 -5.861 3.830) 7.002 32.036 ( -0.000 11.075 4.572) 11.982 32.046 ( -0.000 -11.020 -8.100) 13.677 32.496 ( -0.000 5.829 -5.775) 8.205 33.246 ( -0.000 4.135 9.725) 10.567 34.033 ( 0.000 -3.134 -9.156) 9.678 ======================= Grid point 417 (165/216) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -6.692 12.330 13.792) 19.674 2.445 ( 5.387 7.999 11.344) 14.889 2.704 ( 5.138 3.816 -0.173) 6.403 2.965 ( -4.331 -5.429 -0.534) 6.965 3.191 ( -1.911 8.869 -2.222) 9.340 3.696 ( -2.786 2.694 1.234) 4.067 3.778 ( -1.345 11.034 3.398) 11.623 3.847 ( 3.675 12.864 3.876) 13.929 4.197 ( 6.968 -7.685 15.137) 18.351 4.338 ( 0.847 5.120 15.563) 16.406 4.524 ( -1.621 -0.094 8.853) 9.001 4.587 ( -0.547 6.428 0.993) 6.527 4.917 ( -4.736 3.592 10.722) 12.259 5.074 ( 0.193 -4.095 4.681) 6.223 5.194 ( -2.470 -2.114 -0.645) 3.315 5.318 ( -5.584 -3.874 3.945) 7.858 5.614 ( 2.712 -2.559 -0.754) 3.804 5.859 ( 1.492 0.744 -6.986) 7.183 6.244 ( 8.923 1.850 -0.402) 9.122 6.374 ( 2.937 2.004 -3.066) 4.695 6.696 ( -0.152 1.444 -13.310) 13.389 6.795 ( -6.374 3.074 -10.248) 12.454 7.127 ( -1.943 3.760 -6.720) 7.942 7.724 ( 3.451 -10.342 -10.334) 15.022 12.821 ( 0.996 1.145 1.728) 2.300 12.916 ( 1.060 -1.013 -0.898) 1.719 13.525 ( 0.612 1.933 3.028) 3.644 13.763 ( -0.389 -3.255 -2.636) 4.207 17.388 ( -0.817 0.011 -0.434) 0.925 17.517 ( -1.691 1.890 -2.175) 3.341 17.690 ( -0.501 -4.504 3.773) 5.897 17.892 ( 0.109 -3.585 -2.140) 4.177 18.581 ( 2.713 2.118 -0.617) 3.496 18.650 ( -1.480 0.939 0.503) 1.824 28.203 ( 0.512 -0.055 0.387) 0.645 28.250 ( -0.712 -0.190 0.188) 0.760 31.525 ( -2.539 -4.524 2.251) 5.655 31.869 ( 1.388 -10.077 -7.745) 12.785 32.108 ( 6.490 6.528 1.419) 9.314 32.559 ( -4.306 8.875 -0.124) 9.865 33.297 ( 7.141 5.844 7.567) 11.933 33.975 ( -5.196 -6.022 -8.340) 11.525 ======================= Grid point 418 (166/216) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 6.266 -9.049 -3.279) 11.484 2.637 ( -5.169 12.806 8.433) 16.181 2.721 ( 3.513 3.713 2.879) 5.867 2.969 ( 2.158 1.684 7.015) 7.531 3.285 ( -1.419 9.217 -3.827) 10.081 3.750 ( 1.574 -1.046 2.731) 3.321 3.793 ( -3.528 -1.342 1.742) 4.157 4.052 ( -3.537 10.101 9.248) 14.145 4.111 ( 6.898 0.576 10.138) 12.276 4.542 ( 0.366 3.521 7.506) 8.299 4.571 ( 5.028 3.840 2.918) 6.967 4.656 ( 0.442 7.903 10.719) 13.325 4.966 ( 10.359 0.345 9.815) 14.274 5.095 ( -7.597 -4.396 -2.778) 9.207 5.306 ( -6.178 -0.324 0.995) 6.265 5.357 ( -6.721 -2.400 -0.657) 7.167 5.523 ( 0.074 -6.172 -5.681) 8.389 5.853 ( 0.668 2.016 1.968) 2.895 6.067 ( 13.861 -0.278 -2.476) 14.083 6.284 ( 5.055 1.698 -0.659) 5.374 6.654 ( -4.013 0.244 -8.831) 9.703 6.852 ( -7.075 3.034 -11.306) 13.678 7.156 ( -1.413 2.711 -2.929) 4.234 7.529 ( 2.353 -6.020 -7.124) 9.619 12.823 ( 1.479 1.116 1.141) 2.176 12.881 ( 1.523 -0.636 -0.702) 1.794 13.537 ( 1.792 0.657 1.431) 2.385 13.741 ( -1.621 -1.481 -1.007) 2.415 17.403 ( -0.490 0.813 0.153) 0.962 17.555 ( -2.876 1.937 -1.978) 3.992 17.689 ( -1.142 -3.716 3.144) 4.999 17.837 ( -0.232 -4.298 -2.682) 5.072 18.551 ( 2.746 1.832 -0.834) 3.405 18.673 ( -0.194 0.027 0.762) 0.786 28.196 ( 0.192 -0.181 0.002) 0.264 28.263 ( -0.499 0.048 0.475) 0.691 31.562 ( -5.154 -3.221 1.301) 6.215 31.716 ( 1.242 -7.137 -5.385) 9.026 32.015 ( 7.539 0.765 -2.461) 7.968 32.766 ( -3.771 12.629 7.509) 15.169 33.261 ( 10.297 8.081 2.601) 13.345 33.934 ( -6.505 -10.396 -7.187) 14.214 ======================= Grid point 419 (167/216) ======================= q-point: ( 0.82 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 3.647 -9.525 -5.804) 11.735 2.554 ( 11.957 -2.419 -3.520) 12.697 2.908 ( -2.725 9.369 7.933) 12.575 3.027 ( 1.984 3.413 7.802) 8.744 3.348 ( -2.073 6.392 -5.073) 8.420 3.780 ( -3.087 -1.472 5.799) 6.732 3.866 ( -0.728 6.194 0.731) 6.279 4.090 ( 6.264 0.806 18.279) 19.340 4.278 ( -6.428 2.173 3.870) 7.811 4.516 ( 8.551 -0.751 5.841) 10.383 4.533 ( 4.406 4.112 -1.003) 6.109 4.701 ( 10.139 1.839 8.642) 13.449 4.867 ( 6.039 1.696 -3.493) 7.179 5.182 ( 2.533 0.485 -1.367) 2.919 5.248 ( -4.213 -1.117 -3.628) 5.671 5.498 ( -12.888 -7.033 0.447) 14.688 5.541 ( -8.889 -0.471 -3.822) 9.688 5.721 ( 13.551 -0.181 -7.395) 15.438 5.783 ( 16.894 -2.818 -3.026) 17.393 6.389 ( -6.936 4.298 13.316) 15.617 6.690 ( -7.440 -1.136 -4.591) 8.816 6.891 ( -4.189 2.626 -9.413) 10.632 7.149 ( 0.050 -0.172 -4.837) 4.841 7.457 ( -0.898 -0.756 -1.002) 1.544 12.814 ( 1.476 0.736 0.435) 1.706 12.852 ( 1.256 -0.133 -0.220) 1.282 13.508 ( 2.336 -0.312 -0.113) 2.359 13.766 ( -2.497 -0.094 0.387) 2.529 17.415 ( 0.210 0.686 0.295) 0.776 17.610 ( -3.213 2.056 -1.058) 3.959 17.702 ( -1.450 -2.357 2.361) 3.638 17.786 ( -0.898 -4.049 -2.692) 4.945 18.519 ( 2.582 1.288 -0.697) 2.968 18.668 ( 1.123 -0.385 0.570) 1.317 28.197 ( -0.615 -0.070 -0.025) 0.620 28.268 ( 0.410 0.043 0.355) 0.544 31.627 ( -2.307 -3.007 -2.454) 4.515 31.647 ( -4.080 -1.220 2.540) 4.959 31.887 ( 3.297 -3.312 -4.869) 6.749 32.941 ( 7.507 8.055 13.602) 17.500 33.203 ( 7.433 14.789 -4.589) 17.176 33.885 ( -9.144 -14.360 -5.814) 17.990 ======================= Grid point 420 (168/216) ======================= q-point: (-0.09 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.662 -5.605 -3.813) 6.812 2.286 ( 16.048 -1.622 -3.103) 16.425 3.005 ( 1.920 2.933 1.949) 4.011 3.070 ( 0.344 0.538 3.911) 3.963 3.424 ( -6.141 3.094 -1.762) 7.099 3.855 ( 0.837 -1.955 9.258) 9.499 3.935 ( 5.976 16.051 1.011) 17.157 4.166 ( 3.629 0.864 16.889) 17.296 4.272 ( 2.161 -11.566 -0.936) 11.803 4.393 ( 13.523 2.840 1.264) 13.876 4.497 ( 2.775 1.993 -6.470) 7.317 4.665 ( -1.478 2.791 5.562) 6.396 4.755 ( 3.830 -1.058 -4.397) 5.926 4.980 ( 9.041 -2.254 -6.236) 11.212 5.304 ( 16.483 0.509 -2.719) 16.713 5.340 ( 17.409 -3.953 -5.465) 18.670 5.540 ( -4.047 2.721 0.597) 4.913 5.692 ( -11.130 -0.755 0.087) 11.155 5.719 ( -13.906 -5.086 -1.582) 14.892 6.617 ( -1.939 3.344 8.929) 9.730 6.786 ( -9.226 -0.778 -2.575) 9.610 6.912 ( -2.952 0.729 2.012) 3.646 7.108 ( -2.661 -0.632 -9.310) 9.703 7.502 ( -3.403 1.229 1.869) 4.073 12.801 ( 1.073 0.334 0.146) 1.134 12.837 ( 0.522 0.086 0.043) 0.531 13.467 ( 2.211 -0.297 -0.399) 2.266 13.813 ( -2.916 0.224 0.476) 2.963 17.413 ( 0.599 0.191 0.026) 0.630 17.673 ( -2.695 2.318 0.042) 3.555 17.720 ( -1.326 -1.665 1.619) 2.674 17.753 ( -1.222 -2.729 -2.341) 3.798 18.485 ( 2.398 0.568 -0.325) 2.486 18.643 ( 2.020 -0.278 0.190) 2.048 28.211 ( -1.111 0.020 0.011) 1.112 28.257 ( 1.203 -0.008 0.133) 1.210 31.625 ( 2.770 4.143 1.316) 5.155 31.734 ( -5.665 -6.361 2.483) 8.872 31.823 ( -6.591 -1.739 -5.761) 8.925 32.850 ( 16.418 1.714 6.397) 17.704 33.221 ( 8.462 13.406 -1.640) 15.938 33.908 ( -13.976 -10.414 -2.917) 17.671 ======================= Grid point 428 (169/216) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -0.000 15.559 16.615) 22.763 2.504 ( 0.000 13.643 15.177) 20.408 2.766 ( 0.000 5.907 -4.792) 7.606 2.848 ( -0.000 -3.081 -0.923) 3.216 3.107 ( 0.000 6.101 -3.311) 6.942 3.465 ( 0.000 18.945 -13.644) 23.347 3.768 ( 0.000 3.482 7.083) 7.893 3.813 ( 0.000 12.057 9.878) 15.587 4.416 ( 0.000 1.793 1.554) 2.373 4.455 ( 0.000 -7.540 8.844) 11.622 4.487 ( 0.000 1.075 12.523) 12.569 4.713 ( 0.000 -3.130 24.433) 24.633 4.900 ( 0.000 -2.919 5.489) 6.217 5.176 ( 0.000 -3.160 -3.389) 4.633 5.193 ( 0.000 0.400 12.258) 12.264 5.329 ( -0.000 -3.770 1.108) 3.930 5.631 ( 0.000 0.334 -5.750) 5.760 5.786 ( 0.000 3.678 -6.864) 7.788 6.326 ( 0.000 2.642 -0.232) 2.653 6.330 ( 0.000 3.261 -0.998) 3.410 6.570 ( -0.000 2.258 -14.269) 14.447 6.646 ( 0.000 2.334 -8.965) 9.264 7.041 ( 0.000 3.859 -0.751) 3.932 7.732 ( -0.000 -8.165 -18.241) 19.984 12.838 ( 0.000 0.560 2.294) 2.361 12.925 ( -0.000 -0.740 -1.372) 1.559 13.546 ( 0.000 0.747 4.759) 4.817 13.765 ( -0.000 -3.156 -4.075) 5.154 17.384 ( 0.000 -0.792 0.189) 0.814 17.469 ( -0.000 1.112 -2.633) 2.858 17.764 ( -0.000 -4.964 4.487) 6.692 17.909 ( 0.000 -3.080 -1.996) 3.670 18.594 ( 0.000 3.131 -0.340) 3.150 18.605 ( -0.000 1.923 -0.510) 1.989 28.213 ( -0.000 0.037 0.872) 0.873 28.244 ( -0.000 -0.339 -0.396) 0.522 31.598 ( -0.000 -9.125 5.153) 10.479 31.921 ( -0.000 -12.071 -8.705) 14.883 32.116 ( -0.000 10.984 6.144) 12.586 32.408 ( -0.000 8.184 -6.166) 10.247 33.397 ( -0.000 2.505 10.668) 10.958 33.887 ( 0.000 -1.322 -10.532) 10.615 ======================= Grid point 429 (170/216) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 1.556 3.318 8.982) 9.701 2.560 ( 5.644 3.111 5.826) 8.688 2.701 ( 1.437 10.413 -0.811) 10.543 2.943 ( -8.986 -4.338 -2.897) 10.390 3.194 ( 2.916 13.208 2.907) 13.835 3.638 ( -11.302 12.184 -5.884) 17.630 3.831 ( 2.201 1.065 2.468) 3.475 3.886 ( 3.344 10.390 1.749) 11.054 4.326 ( 8.536 0.603 3.035) 9.080 4.509 ( -1.601 3.115 0.832) 3.600 4.679 ( -0.975 5.891 19.511) 20.404 4.752 ( 3.781 -6.468 15.655) 17.355 5.015 ( -7.465 -3.615 3.268) 8.915 5.197 ( -5.518 0.033 3.539) 6.556 5.217 ( 9.217 0.244 10.789) 14.193 5.300 ( -3.023 -5.090 -5.971) 8.408 5.541 ( 2.921 -1.702 -10.410) 10.945 5.804 ( -3.850 3.592 -0.939) 5.348 6.240 ( 9.971 1.757 -0.048) 10.125 6.337 ( 4.345 2.366 -1.999) 5.336 6.530 ( -3.246 1.356 -7.575) 8.352 6.639 ( -5.151 2.339 -10.483) 11.912 7.109 ( -1.561 2.656 5.045) 5.911 7.527 ( 0.414 -6.068 -15.278) 16.444 12.848 ( 1.244 0.578 1.813) 2.274 12.900 ( 1.036 -0.516 -1.244) 1.699 13.575 ( 1.320 0.253 3.430) 3.684 13.720 ( -1.169 -1.850 -2.992) 3.707 17.391 ( -0.239 0.778 0.762) 1.115 17.479 ( -2.170 1.670 -2.531) 3.728 17.750 ( -0.319 -5.259 4.118) 6.687 17.856 ( -0.007 -4.363 -2.829) 5.200 18.572 ( 3.032 2.295 -0.554) 3.843 18.654 ( -1.928 1.233 0.093) 2.290 28.207 ( 0.931 -0.205 0.239) 0.983 28.252 ( -1.118 -0.022 0.097) 1.123 31.571 ( -2.128 -7.241 3.944) 8.516 31.755 ( -0.786 -10.982 -7.349) 13.237 32.130 ( 11.201 6.227 1.315) 12.883 32.556 ( -9.018 12.740 -0.287) 15.611 33.411 ( 9.470 3.327 7.218) 12.363 33.852 ( -6.426 -4.737 -7.664) 11.067 ======================= Grid point 430 (171/216) ======================= q-point: ( 0.82 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 8.266 -12.780 -1.271) 15.274 2.676 ( 4.187 3.514 -0.237) 5.471 2.814 ( -1.619 14.644 6.553) 16.125 3.014 ( -3.391 2.727 -1.108) 4.491 3.260 ( 2.587 8.353 0.230) 8.747 3.778 ( -2.701 -5.173 1.457) 6.015 3.801 ( -4.023 -0.464 -0.420) 4.072 4.095 ( -7.326 18.289 0.753) 19.716 4.256 ( 7.652 5.381 5.072) 10.641 4.524 ( 3.561 4.227 -1.874) 5.836 4.715 ( 3.454 -4.789 9.805) 11.446 4.877 ( 5.409 6.831 11.247) 14.227 4.993 ( 8.511 -4.471 -0.635) 9.635 5.142 ( -0.157 -2.554 5.662) 6.213 5.265 ( 0.743 -1.689 -8.034) 8.243 5.336 ( -7.971 1.805 -1.021) 8.236 5.417 ( -7.512 -8.867 -5.329) 12.785 5.858 ( 7.227 3.545 -0.331) 8.057 6.046 ( 15.350 -0.613 -0.705) 15.378 6.326 ( -3.044 4.419 4.030) 6.711 6.578 ( -6.139 -0.895 -0.044) 6.204 6.681 ( -6.967 3.116 -10.742) 13.177 7.159 ( 1.028 -0.691 2.104) 2.441 7.423 ( -2.357 -2.024 -5.582) 6.388 12.838 ( 1.810 0.489 0.758) 2.022 12.871 ( 1.376 -0.034 -0.568) 1.489 13.554 ( 2.579 -0.759 0.703) 2.779 13.729 ( -2.421 -0.185 -0.496) 2.478 17.409 ( 0.161 1.616 0.423) 1.678 17.528 ( -3.494 2.006 -1.248) 4.218 17.740 ( -0.758 -4.502 3.468) 5.733 17.794 ( -0.626 -4.805 -3.089) 5.746 18.542 ( 2.854 1.889 -0.386) 3.444 18.680 ( -0.371 0.116 0.220) 0.446 28.196 ( 0.277 -0.202 0.005) 0.343 28.268 ( -0.566 0.103 0.167) 0.599 31.591 ( -4.637 -4.986 2.620) 7.296 31.645 ( -1.968 -7.463 -4.068) 8.724 31.989 ( 10.272 1.231 -0.898) 10.384 32.843 ( -7.184 17.715 2.710) 19.307 33.299 ( 13.259 4.001 1.917) 13.982 33.848 ( -7.036 -10.329 -3.598) 13.005 ======================= Grid point 431 (172/216) ======================= q-point: (-0.09 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 4.056 -10.930 0.000) 11.659 2.528 ( 13.181 -2.123 0.000) 13.351 2.980 ( 0.481 10.527 -0.000) 10.538 3.076 ( -0.064 3.867 -0.000) 3.867 3.306 ( -2.477 4.244 -0.000) 4.914 3.841 ( -9.555 -6.424 0.000) 11.514 3.853 ( 1.643 10.063 -0.000) 10.196 4.255 ( 5.472 9.860 -0.000) 11.276 4.299 ( -4.611 -0.003 -0.000) 4.611 4.476 ( 5.364 4.023 -0.000) 6.705 4.681 ( 0.758 -5.118 0.000) 5.174 4.711 ( 17.085 -1.628 0.000) 17.162 4.838 ( 9.654 3.009 0.000) 10.112 5.116 ( 9.524 -0.606 0.000) 9.544 5.260 ( -10.642 0.497 -0.000) 10.653 5.485 ( -4.006 5.040 -0.000) 6.438 5.509 ( -14.530 -9.978 0.000) 17.626 5.663 ( 12.815 -1.533 0.000) 12.907 5.763 ( 17.297 -3.113 0.000) 17.575 6.517 ( -8.572 6.051 -0.000) 10.493 6.679 ( -6.989 -2.080 -0.000) 7.292 6.776 ( -8.158 3.046 -0.000) 8.708 7.113 ( 2.801 -1.981 0.000) 3.430 7.448 ( -3.003 0.506 -0.000) 3.045 12.818 ( 1.556 0.427 0.000) 1.613 12.850 ( 1.191 0.186 0.000) 1.205 13.508 ( 2.566 -0.688 0.000) 2.657 13.769 ( -2.691 0.246 -0.000) 2.702 17.418 ( 0.550 1.025 -0.000) 1.163 17.600 ( -3.525 2.414 -0.000) 4.272 17.738 ( -0.723 -2.312 0.000) 2.423 17.749 ( -1.650 -4.905 0.000) 5.175 18.513 ( 2.558 1.297 -0.000) 2.868 18.673 ( 1.147 -0.375 0.000) 1.206 28.197 ( -0.621 -0.064 -0.000) 0.624 28.271 ( 0.439 0.061 0.000) 0.443 31.609 ( -2.336 -2.920 0.000) 3.739 31.672 ( -7.269 -1.484 -0.000) 7.419 31.844 ( 6.022 -3.561 0.000) 6.996 33.108 ( 15.758 2.917 0.000) 16.026 33.108 ( -0.387 21.148 -0.000) 21.151 33.837 ( -9.738 -15.245 0.000) 18.090 ======================= Grid point 440 (173/216) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -0.000 14.809 14.230) 20.538 2.562 ( 0.000 14.636 -8.194) 16.774 2.783 ( 0.000 -7.221 6.782) 9.907 2.838 ( -0.000 -9.245 -1.083) 9.309 3.104 ( 0.000 21.727 4.632) 22.215 3.254 ( 0.000 25.374 -13.868) 28.916 3.851 ( -0.000 2.332 4.053) 4.676 3.880 ( 0.000 3.052 0.451) 3.085 4.430 ( 0.000 0.366 0.796) 0.876 4.445 ( -0.000 -1.051 -1.281) 1.657 4.827 ( 0.000 -2.398 18.698) 18.851 4.923 ( 0.000 -7.811 2.287) 8.138 5.062 ( 0.000 -2.967 15.966) 16.239 5.162 ( -0.000 -0.436 3.018) 3.050 5.279 ( -0.000 -5.592 -5.579) 7.899 5.357 ( 0.000 1.483 0.196) 1.496 5.499 ( 0.000 4.125 -1.297) 4.324 5.666 ( 0.000 4.828 -11.686) 12.644 6.319 ( -0.000 3.184 -0.540) 3.230 6.320 ( 0.000 2.821 -0.474) 2.861 6.448 ( -0.000 1.904 -1.035) 2.167 6.513 ( 0.000 1.739 -8.138) 8.322 7.152 ( 0.000 1.543 14.948) 15.027 7.432 ( -0.000 -3.089 -21.143) 21.367 12.871 ( 0.000 0.109 2.182) 2.185 12.901 ( -0.000 -0.321 -1.824) 1.852 13.621 ( 0.000 -0.704 5.277) 5.324 13.698 ( -0.000 -2.018 -4.938) 5.334 17.398 ( 0.000 -0.202 1.599) 1.612 17.429 ( -0.000 0.484 -2.524) 2.570 17.825 ( -0.000 -4.711 3.764) 6.031 17.874 ( 0.000 -3.957 -2.817) 4.857 18.592 ( 0.000 2.962 0.066) 2.963 18.596 ( -0.000 2.449 -0.504) 2.500 28.226 ( 0.000 -0.084 0.794) 0.798 28.236 ( -0.000 -0.214 -0.617) 0.653 31.686 ( -0.000 -11.213 6.714) 13.070 31.795 ( -0.000 -12.160 -8.080) 14.600 32.213 ( -0.000 10.510 6.790) 12.513 32.313 ( -0.000 9.632 -6.665) 11.713 33.560 ( -0.000 1.231 11.213) 11.281 33.726 ( 0.000 0.045 -11.201) 11.201 ======================= Grid point 441 (174/216) ======================= q-point: ( 0.82 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 10.477 -8.459 0.000) 13.465 2.628 ( -0.266 11.910 -0.000) 11.913 2.679 ( 0.497 12.474 -0.000) 12.484 2.910 ( -10.774 -7.186 0.000) 12.951 3.231 ( 6.856 16.588 -0.000) 17.948 3.582 ( -16.025 15.081 -0.000) 22.005 3.848 ( 3.462 -2.810 0.000) 4.459 3.900 ( 2.273 10.559 -0.000) 10.801 4.343 ( 7.356 3.034 -0.000) 7.957 4.506 ( -1.492 2.432 -0.000) 2.853 4.808 ( 2.423 -1.101 0.000) 2.662 4.975 ( -4.592 -4.412 0.000) 6.367 5.052 ( 3.351 -3.627 0.000) 4.938 5.176 ( -3.593 -3.079 0.000) 4.732 5.291 ( -0.817 1.387 -0.000) 1.609 5.305 ( 0.264 -3.313 0.000) 3.323 5.392 ( 9.502 -0.473 0.000) 9.514 5.801 ( -8.280 6.121 -0.000) 10.297 6.240 ( 10.174 1.649 0.000) 10.307 6.317 ( 4.084 3.142 -0.000) 5.153 6.508 ( -3.605 3.378 -0.000) 4.940 6.520 ( -4.544 -0.454 -0.000) 4.567 7.216 ( 2.448 -1.571 0.000) 2.909 7.346 ( -4.792 -1.319 -0.000) 4.971 12.868 ( 1.655 0.058 0.000) 1.656 12.884 ( 0.702 -0.022 0.000) 0.703 13.609 ( 2.644 -1.226 0.000) 2.914 13.690 ( -2.504 -0.483 -0.000) 2.551 17.401 ( 0.641 1.444 -0.000) 1.580 17.456 ( -3.005 1.131 -0.000) 3.211 17.803 ( 0.189 -5.001 0.000) 5.005 17.813 ( -0.494 -5.063 0.000) 5.087 18.567 ( 3.145 2.336 -0.000) 3.917 18.655 ( -2.098 1.342 -0.000) 2.491 28.209 ( 1.106 -0.267 0.000) 1.138 28.253 ( -1.285 0.048 -0.000) 1.286 31.625 ( -0.481 -7.800 0.000) 7.815 31.674 ( -2.980 -11.540 0.000) 11.918 32.141 ( 13.114 5.810 -0.000) 14.344 32.553 ( -10.964 14.203 -0.000) 17.943 33.476 ( 12.006 2.527 0.000) 12.269 33.783 ( -8.623 -4.355 0.000) 9.661 ======================= Grid point 460 (175/216) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 10.601 0.000 8.999) 13.906 2.468 ( -2.837 0.000 -7.407) 7.931 2.668 ( 1.103 -0.000 1.083) 1.546 2.679 ( -8.138 0.000 -15.307) 17.335 3.394 ( 12.038 -0.000 16.921) 20.767 3.461 ( -15.865 0.000 17.105) 23.330 3.801 ( 1.112 0.000 5.457) 5.570 3.992 ( 5.529 0.000 -2.941) 6.263 4.059 ( 7.081 -0.000 0.497) 7.098 4.243 ( 2.280 -0.000 -4.081) 4.675 4.312 ( -19.574 0.000 -15.865) 25.196 4.431 ( 4.547 -0.000 -11.804) 12.649 4.713 ( -1.380 -0.000 5.237) 5.416 4.952 ( 9.447 -0.000 -2.136) 9.685 5.265 ( -6.405 0.000 -6.514) 9.135 5.399 ( 3.365 -0.000 -12.055) 12.516 5.850 ( -7.789 -0.000 3.569) 8.568 5.872 ( -1.056 0.000 6.179) 6.269 5.953 ( 0.431 0.000 6.094) 6.109 6.054 ( 4.768 0.000 -2.242) 5.268 7.059 ( 11.955 -0.000 -5.011) 12.962 7.073 ( 5.370 0.000 3.839) 6.601 7.345 ( -5.864 0.000 5.917) 8.331 7.429 ( 2.475 -0.000 -0.408) 2.509 12.775 ( 1.636 -0.000 0.554) 1.727 12.815 ( 0.217 0.000 -0.828) 0.856 13.563 ( -0.080 -0.000 3.925) 3.925 13.742 ( -2.127 0.000 -3.666) 4.239 17.460 ( -0.372 0.000 1.712) 1.752 17.557 ( -0.223 -0.000 -2.672) 2.682 17.846 ( -1.294 0.000 1.052) 1.668 17.849 ( -1.501 -0.000 1.257) 1.958 18.495 ( 1.905 -0.000 1.431) 2.382 18.575 ( 0.598 0.000 -1.717) 1.818 28.223 ( -0.644 -0.000 -0.089) 0.650 28.226 ( 0.277 0.000 -0.235) 0.364 31.549 ( 2.535 0.000 3.603) 4.405 31.849 ( 0.972 -0.000 -4.296) 4.404 32.035 ( 2.909 0.000 -5.127) 5.894 32.078 ( -1.989 -0.000 -0.680) 2.102 33.538 ( 3.638 -0.000 12.810) 13.317 34.042 ( -3.085 0.000 -7.126) 7.765 ======================= Grid point 472 (176/216) ======================= q-point: ( 0.36 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -5.732 10.064 -8.902) 14.608 2.449 ( -1.749 -6.153 -4.873) 8.041 2.629 ( 6.292 -1.843 2.519) 7.024 2.779 ( 6.838 -3.411 2.077) 7.918 3.299 ( -16.053 2.369 12.384) 20.412 3.656 ( 4.635 2.346 11.707) 12.808 3.786 ( -9.361 8.705 -4.716) 13.625 3.898 ( -7.332 -2.084 -1.834) 7.839 3.940 ( -1.699 8.756 -4.009) 9.779 4.250 ( 5.552 -10.664 -1.562) 12.124 4.307 ( 7.047 -4.363 -3.026) 8.823 4.369 ( 2.801 2.533 -16.212) 16.646 4.714 ( -0.497 3.379 3.612) 4.971 4.932 ( -5.603 -1.352 -9.543) 11.149 5.270 ( 7.143 1.967 -1.904) 7.650 5.382 ( 5.596 -2.965 -4.716) 7.896 5.713 ( -11.481 -0.283 2.203) 11.693 5.766 ( -10.618 -1.799 -0.660) 10.789 6.106 ( 7.216 -0.396 7.815) 10.644 6.192 ( 10.338 -0.217 1.251) 10.415 7.168 ( 4.458 1.363 3.697) 5.949 7.226 ( 10.772 -0.414 -2.036) 10.970 7.315 ( -3.779 -0.427 6.278) 7.340 7.438 ( -0.568 0.341 -0.328) 0.739 12.797 ( 1.236 1.241 0.216) 1.765 12.826 ( 1.247 -1.087 -0.216) 1.668 13.574 ( -0.277 2.860 2.395) 3.740 13.703 ( -1.038 -2.791 -2.319) 3.775 17.462 ( -0.299 0.989 1.519) 1.837 17.541 ( -1.047 -1.885 -1.797) 2.807 17.809 ( -1.724 2.692 0.917) 3.326 17.859 ( -0.619 -2.664 0.684) 2.819 18.531 ( 1.865 0.384 0.975) 2.140 18.576 ( 0.893 -0.279 -1.728) 1.965 28.214 ( -0.549 -0.035 0.244) 0.602 28.227 ( 0.115 -0.050 -0.608) 0.620 31.632 ( 4.164 2.620 4.585) 6.725 31.844 ( 0.270 -3.117 -0.417) 3.156 32.057 ( 1.050 -0.993 -0.820) 1.661 32.074 ( 4.957 -1.331 -6.903) 8.602 33.561 ( 1.258 18.340 6.861) 19.621 34.029 ( -3.081 -15.021 -2.765) 15.581 ======================= Grid point 473 (177/216) ======================= q-point: ( 0.45 0.73 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -6.234 0.000 -1.126) 6.335 2.412 ( 1.501 -0.000 0.714) 1.662 2.549 ( -0.335 0.000 0.235) 0.409 2.623 ( 5.971 -0.000 -5.921) 8.409 3.713 ( 5.785 -0.000 23.002) 23.718 3.729 ( -17.024 0.000 17.865) 24.678 3.885 ( 0.774 -0.000 5.585) 5.638 3.932 ( 3.572 0.000 -5.777) 6.792 4.024 ( 6.119 -0.000 -8.327) 10.334 4.066 ( -19.843 -0.000 -16.077) 25.539 4.196 ( 3.013 -0.000 -1.908) 3.566 4.235 ( 1.723 0.000 -10.316) 10.458 4.801 ( -1.287 -0.000 6.597) 6.722 4.896 ( 2.852 0.000 -5.564) 6.253 5.203 ( -0.534 -0.000 -0.964) 1.103 5.247 ( 2.690 0.000 -7.021) 7.518 5.893 ( -8.820 -0.000 1.677) 8.978 5.902 ( -8.101 0.000 0.230) 8.104 6.036 ( 6.817 -0.000 3.048) 7.467 6.048 ( 8.307 0.000 0.446) 8.319 7.039 ( 12.520 0.000 1.845) 12.655 7.080 ( 8.165 -0.000 -2.315) 8.487 7.408 ( -2.677 0.000 2.570) 3.710 7.426 ( 1.158 -0.000 -0.222) 1.179 12.786 ( 1.256 -0.000 0.929) 1.563 12.801 ( 0.726 0.000 -0.989) 1.227 13.623 ( -0.833 -0.000 4.177) 4.260 13.684 ( -1.532 0.000 -4.067) 4.346 17.488 ( -0.161 0.000 2.045) 2.051 17.520 ( -0.093 -0.000 -2.338) 2.340 17.857 ( -1.333 0.000 0.503) 1.425 17.859 ( -1.398 -0.000 0.249) 1.420 18.519 ( 1.281 -0.000 1.819) 2.224 18.547 ( 0.767 0.000 -1.996) 2.138 28.222 ( -0.413 -0.000 0.015) 0.413 28.223 ( -0.099 0.000 -0.143) 0.174 31.625 ( 3.438 0.000 6.638) 7.475 31.740 ( 4.237 -0.000 -8.609) 9.595 32.024 ( -1.346 -0.000 1.762) 2.217 32.056 ( -1.583 0.000 -2.101) 2.631 33.730 ( 1.577 -0.000 12.890) 12.986 33.908 ( -0.595 0.000 -10.851) 10.868 ======================= Grid point 484 (178/216) ======================= q-point: ( 0.36 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -3.344 12.773 -6.197) 14.586 2.408 ( -6.618 -2.897 -3.374) 7.974 2.746 ( 6.974 3.649 -0.338) 7.878 2.936 ( -0.116 -3.557 13.567) 14.026 3.148 ( -6.567 -3.294 -1.798) 7.563 3.382 ( -14.842 0.972 -12.906) 19.692 3.711 ( -0.209 9.820 4.613) 10.851 3.762 ( -3.976 6.687 -2.090) 8.056 3.948 ( 0.011 4.448 6.293) 7.706 4.282 ( 0.917 -3.315 -7.544) 8.292 4.346 ( -1.900 -1.521 -4.380) 5.011 4.477 ( 7.507 -3.818 -0.155) 8.423 4.700 ( 4.422 2.702 -0.759) 5.238 4.833 ( -0.153 -0.856 -3.628) 3.731 5.264 ( 1.942 10.864 -1.268) 11.109 5.514 ( -6.081 -3.095 2.393) 7.230 5.605 ( -7.093 -5.150 -0.727) 8.796 5.643 ( 4.947 -5.476 -0.519) 7.397 6.248 ( 5.521 2.482 3.498) 6.991 6.364 ( 10.089 -1.738 1.069) 10.293 7.220 ( -0.288 2.069 4.353) 4.828 7.308 ( 1.356 -1.820 0.722) 2.382 7.366 ( 4.463 0.143 -0.588) 4.504 7.427 ( -0.812 -2.480 0.357) 2.634 12.798 ( 0.849 1.783 0.001) 1.975 12.861 ( 1.586 -1.508 0.043) 2.189 13.541 ( -0.155 4.552 0.378) 4.570 13.726 ( 0.065 -4.733 -0.322) 4.745 17.458 ( -0.058 0.866 0.677) 1.101 17.527 ( -2.301 -2.303 -0.706) 3.331 17.760 ( -1.712 3.128 0.523) 3.604 17.886 ( 0.074 -3.137 0.344) 3.156 18.560 ( 1.629 0.536 0.616) 1.822 18.581 ( 0.981 -0.137 -1.243) 1.589 28.210 ( -0.455 0.015 0.456) 0.645 28.223 ( 0.074 -0.176 -0.676) 0.702 31.638 ( -0.066 6.282 0.925) 6.350 31.953 ( 2.740 -8.108 6.079) 10.498 32.076 ( 1.819 -0.777 -2.617) 3.280 32.145 ( 9.458 -0.480 -5.255) 10.830 33.407 ( 0.059 20.710 1.549) 20.768 34.122 ( -3.835 -15.875 0.312) 16.334 ======================= Grid point 485 (179/216) ======================= q-point: ( 0.45 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -6.793 11.180 -0.000) 13.081 2.396 ( -4.779 -9.895 0.000) 10.989 2.669 ( 8.628 4.478 -0.000) 9.721 2.784 ( 10.188 -7.671 0.000) 12.753 3.484 ( -20.322 7.509 -0.000) 21.665 3.582 ( -19.288 -0.806 -0.000) 19.305 3.837 ( 1.153 13.788 -0.000) 13.836 3.882 ( -2.276 5.807 -0.000) 6.237 4.020 ( 0.792 -0.585 0.000) 0.985 4.091 ( 5.098 -9.546 0.000) 10.822 4.259 ( 5.649 -4.120 0.000) 6.992 4.301 ( 7.167 -5.338 0.000) 8.937 4.764 ( -4.036 5.631 -0.000) 6.928 4.835 ( -3.439 -1.717 0.000) 3.844 5.253 ( 6.758 4.536 -0.000) 8.139 5.353 ( 8.897 -5.927 0.000) 10.691 5.734 ( -11.170 -0.235 -0.000) 11.172 5.757 ( -11.780 -2.120 -0.000) 11.969 6.174 ( 8.057 1.036 0.000) 8.123 6.192 ( 9.966 -1.127 0.000) 10.030 7.192 ( 7.233 0.817 0.000) 7.279 7.212 ( 7.611 -1.317 0.000) 7.724 7.375 ( -1.440 3.209 -0.000) 3.518 7.426 ( -1.250 -2.149 0.000) 2.486 12.798 ( 1.060 1.439 -0.000) 1.787 12.824 ( 1.468 -1.311 0.000) 1.968 13.595 ( -0.904 4.673 -0.000) 4.760 13.682 ( -0.440 -4.598 0.000) 4.619 17.476 ( -0.080 2.194 -0.000) 2.196 17.525 ( -1.081 -3.011 0.000) 3.199 17.815 ( -1.709 2.618 -0.000) 3.127 17.864 ( -0.560 -2.554 0.000) 2.614 18.544 ( 1.571 0.759 -0.000) 1.745 18.557 ( 0.956 -0.682 0.000) 1.174 28.219 ( -0.311 -0.042 -0.000) 0.314 28.219 ( -0.168 -0.045 -0.000) 0.174 31.683 ( 3.069 6.627 -0.000) 7.303 31.818 ( 5.905 -7.666 0.000) 9.677 32.031 ( 0.795 0.016 0.000) 0.795 32.047 ( 1.356 -1.870 0.000) 2.310 33.619 ( -0.319 22.131 -0.000) 22.133 34.002 ( -1.568 -18.769 0.000) 18.834 ======================= Grid point 495 (180/216) ======================= q-point: ( 0.36 -0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -4.081 17.202 -0.000) 17.679 2.160 ( -17.342 12.717 -0.000) 21.505 2.812 ( 4.469 -1.745 0.000) 4.798 2.962 ( -3.225 4.685 -0.000) 5.688 3.093 ( -2.148 1.315 -0.000) 2.519 3.286 ( 1.604 -12.140 0.000) 12.246 3.617 ( -5.907 -1.439 -0.000) 6.080 3.684 ( 0.513 7.014 -0.000) 7.033 3.901 ( 0.865 7.702 -0.000) 7.750 4.156 ( -5.716 12.400 -0.000) 13.654 4.351 ( -0.705 -8.552 0.000) 8.581 4.544 ( 2.919 8.061 -0.000) 8.574 4.815 ( 6.663 -3.714 0.000) 7.628 4.827 ( 2.885 9.035 -0.000) 9.485 5.186 ( 0.760 2.160 -0.000) 2.290 5.319 ( -19.194 -5.415 -0.000) 19.943 5.572 ( -3.448 -4.656 0.000) 5.793 5.934 ( 19.964 -2.715 0.000) 20.148 6.281 ( 2.165 4.357 -0.000) 4.865 6.549 ( 9.869 -3.309 0.000) 10.409 7.207 ( -1.234 0.319 -0.000) 1.274 7.317 ( -5.230 -4.363 0.000) 6.811 7.426 ( 3.758 -0.412 0.000) 3.781 7.453 ( 0.703 -2.574 0.000) 2.669 12.792 ( 0.580 1.940 -0.000) 2.025 12.900 ( 1.408 -1.738 0.000) 2.237 13.503 ( 0.560 4.424 -0.000) 4.460 13.775 ( 0.380 -5.096 0.000) 5.110 17.455 ( 0.151 0.574 -0.000) 0.593 17.500 ( -3.302 -1.924 0.000) 3.822 17.708 ( -1.407 2.996 -0.000) 3.310 17.920 ( 0.288 -2.952 0.000) 2.966 18.579 ( 1.118 0.493 -0.000) 1.222 18.591 ( 0.916 0.239 0.000) 0.947 28.201 ( -0.694 0.279 -0.000) 0.748 28.228 ( 0.438 -0.501 0.000) 0.665 31.565 ( -1.885 5.753 -0.000) 6.054 32.075 ( 3.494 6.458 -0.000) 7.342 32.090 ( -0.677 -10.437 0.000) 10.459 32.323 ( 12.950 -3.495 0.000) 13.413 33.230 ( 0.500 18.593 -0.000) 18.599 34.190 ( -5.343 -13.531 0.000) 14.548 ======================= Grid point 506 (181/216) ======================= q-point: ( 0.36 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -0.000 21.755 -0.000) 21.755 1.796 ( -0.000 22.589 -0.000) 22.589 2.804 ( 0.000 -10.432 0.000) 10.432 3.031 ( 0.000 -5.999 0.000) 5.999 3.073 ( -0.000 11.628 -0.000) 11.628 3.394 ( 0.000 -11.119 0.000) 11.119 3.490 ( 0.000 -2.691 0.000) 2.691 3.522 ( -0.000 9.577 -0.000) 9.577 4.014 ( -0.000 3.783 -0.000) 3.783 4.207 ( -0.000 12.556 -0.000) 12.556 4.286 ( 0.000 -6.395 0.000) 6.395 4.595 ( -0.000 16.038 -0.000) 16.038 4.857 ( 0.000 -1.502 0.000) 1.502 4.883 ( -0.000 10.756 -0.000) 10.756 4.925 ( 0.000 -2.618 0.000) 2.618 5.217 ( 0.000 -8.362 0.000) 8.362 5.537 ( -0.000 3.438 -0.000) 3.438 6.305 ( -0.000 3.976 -0.000) 3.976 6.356 ( -0.000 1.762 -0.000) 1.762 6.836 ( 0.000 -23.160 0.000) 23.160 7.021 ( -0.000 4.979 -0.000) 4.979 7.186 ( 0.000 -1.267 0.000) 1.267 7.479 ( 0.000 -1.137 0.000) 1.137 7.484 ( 0.000 -1.005 0.000) 1.005 12.802 ( -0.000 1.948 -0.000) 1.948 12.923 ( 0.000 -2.154 0.000) 2.154 13.520 ( -0.000 4.144 -0.000) 4.144 13.782 ( 0.000 -5.227 0.000) 5.227 17.434 ( 0.000 -0.414 0.000) 0.414 17.456 ( -0.000 0.039 -0.000) 0.039 17.686 ( -0.000 3.414 -0.000) 3.414 17.925 ( 0.000 -3.095 0.000) 3.095 18.595 ( -0.000 0.237 -0.000) 0.237 18.607 ( -0.000 0.320 -0.000) 0.320 28.188 ( -0.000 0.613 -0.000) 0.613 28.237 ( 0.000 -0.845 0.000) 0.845 31.526 ( -0.000 6.281 -0.000) 6.281 32.077 ( 0.000 -10.843 0.000) 10.843 32.147 ( -0.000 9.989 -0.000) 9.989 32.578 ( 0.000 -6.188 0.000) 6.188 33.236 ( -0.000 16.234 -0.000) 16.234 34.071 ( 0.000 -11.937 0.000) 11.937 ======================= Grid point 507 (182/216) ======================= q-point: ( 0.45 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -1.166 18.848 7.783) 20.425 2.098 ( -9.571 18.115 3.302) 20.752 2.726 ( -2.707 -11.325 2.262) 11.861 2.911 ( -2.278 -9.309 -10.463) 14.189 3.144 ( 3.077 -1.150 11.576) 12.033 3.259 ( 5.113 -6.717 5.115) 9.870 3.557 ( -4.903 5.016 -0.021) 7.014 3.670 ( -6.984 4.415 1.633) 8.423 4.000 ( 5.028 4.375 -3.899) 7.722 4.255 ( -4.245 -1.653 1.831) 4.910 4.319 ( 5.421 13.972 4.284) 15.587 4.678 ( 4.157 6.315 1.925) 7.802 4.857 ( 2.884 -2.986 0.686) 4.207 4.914 ( 3.155 -2.082 0.171) 3.784 5.023 ( -14.837 0.791 0.729) 14.876 5.179 ( -5.024 -1.784 -0.072) 5.332 5.590 ( 3.947 11.394 -0.731) 12.081 6.194 ( 18.066 -5.508 -1.956) 18.989 6.333 ( 0.408 3.502 -1.375) 3.784 6.578 ( 2.346 -11.416 -3.973) 12.314 7.136 ( -7.392 -0.059 -3.983) 8.397 7.179 ( -2.573 -1.012 -1.613) 3.201 7.447 ( 1.906 -0.674 -2.012) 2.852 7.484 ( 1.200 -2.072 4.282) 4.906 12.818 ( 0.349 2.054 0.116) 2.086 12.898 ( 0.638 -2.135 0.004) 2.228 13.554 ( 0.598 4.468 -0.120) 4.509 13.732 ( 0.211 -5.030 -0.142) 5.036 17.442 ( -1.206 -0.278 -1.129) 1.675 17.461 ( -0.852 -0.502 1.069) 1.456 17.724 ( -0.568 4.152 -0.656) 4.242 17.890 ( 0.081 -3.850 -0.464) 3.879 18.596 ( 0.581 0.364 0.337) 0.764 18.607 ( 0.490 0.026 0.594) 0.770 28.197 ( -0.267 0.632 0.027) 0.686 28.228 ( 0.136 -0.794 0.165) 0.823 31.598 ( -1.273 7.475 -1.040) 7.654 31.968 ( -0.423 -11.332 -2.485) 11.609 32.208 ( 3.892 8.172 0.182) 9.054 32.461 ( 7.564 -4.883 1.781) 9.178 33.394 ( -0.513 16.916 0.178) 16.924 33.983 ( -3.778 -13.875 -0.804) 14.403 ======================= Grid point 508 (183/216) ======================= q-point: ( 0.55 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.390 12.828 11.453) 17.201 2.349 ( -3.954 0.562 8.094) 9.025 2.720 ( -6.746 -3.198 -14.122) 15.974 2.838 ( -1.928 0.960 -2.050) 2.973 3.079 ( 2.931 -9.251 6.748) 11.820 3.337 ( -5.544 -0.709 20.724) 21.464 3.692 ( -5.279 6.489 -2.585) 8.755 3.798 ( -3.553 2.745 -1.465) 4.723 3.919 ( 0.745 0.196 -6.192) 6.240 4.367 ( -3.759 -1.625 15.136) 15.681 4.390 ( 5.246 10.825 0.566) 12.042 4.593 ( 10.093 -3.534 3.358) 11.209 4.789 ( 3.962 -0.127 1.810) 4.358 4.837 ( 0.869 -4.206 2.824) 5.140 5.272 ( -14.598 0.775 -1.510) 14.697 5.334 ( -12.147 2.611 1.457) 12.510 5.574 ( 9.307 9.492 -1.344) 13.361 5.800 ( 17.558 -10.112 -2.300) 20.392 6.305 ( 4.000 1.555 -6.378) 7.687 6.457 ( 4.756 -2.089 -0.817) 5.258 7.160 ( -3.626 0.877 -7.202) 8.111 7.236 ( -4.712 -1.227 -2.969) 5.703 7.395 ( 1.303 -0.171 -2.012) 2.403 7.454 ( 3.573 -1.854 2.360) 4.666 12.829 ( 0.793 1.979 0.100) 2.135 12.866 ( 1.046 -1.901 0.009) 2.170 13.582 ( 0.747 4.043 -0.874) 4.203 13.687 ( -0.128 -4.186 0.673) 4.242 17.443 ( -0.776 -0.187 -1.605) 1.793 17.490 ( -1.984 -0.571 1.398) 2.493 17.768 ( -0.857 4.185 -1.135) 4.420 17.847 ( -0.185 -4.125 -0.950) 4.237 18.585 ( 1.405 0.266 0.062) 1.431 18.605 ( 0.734 -0.072 1.437) 1.615 28.203 ( -0.108 0.151 -0.447) 0.484 28.227 ( -0.166 -0.237 0.851) 0.899 31.678 ( -1.231 7.730 -2.611) 8.251 31.846 ( -0.121 -9.777 -4.600) 10.806 32.157 ( 7.279 2.306 -2.395) 8.002 32.345 ( 8.251 -0.934 9.049) 12.282 33.564 ( -0.905 17.562 -1.775) 17.675 33.901 ( -4.427 -15.748 -0.983) 16.388 ======================= Grid point 509 (184/216) ======================= q-point: ( 0.64 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -0.874 0.000 12.198) 12.229 2.434 ( -0.789 0.000 11.786) 11.812 2.625 ( -0.743 -0.000 -15.009) 15.027 2.831 ( 4.045 -0.000 -4.479) 6.035 3.099 ( -3.555 0.000 6.625) 7.519 3.669 ( -13.764 0.000 19.512) 23.878 3.724 ( 3.296 -0.000 -8.377) 9.002 3.757 ( -3.719 -0.000 -6.380) 7.385 3.993 ( -5.266 0.000 3.907) 6.557 4.307 ( 8.536 -0.000 -1.429) 8.654 4.437 ( 9.715 0.000 4.070) 10.533 4.532 ( -0.341 0.000 16.306) 16.309 4.750 ( 3.716 0.000 2.272) 4.356 4.895 ( -5.442 0.000 7.798) 9.509 5.431 ( -5.759 -0.000 -3.460) 6.718 5.462 ( 12.876 -0.000 -0.931) 12.910 5.555 ( -1.528 0.000 5.055) 5.281 5.577 ( -12.776 0.000 1.081) 12.822 6.152 ( 7.693 -0.000 -9.950) 12.577 6.333 ( 9.141 -0.000 -2.653) 9.518 7.172 ( -4.709 -0.000 -10.398) 11.414 7.210 ( 2.668 -0.000 -4.105) 4.896 7.379 ( 6.817 0.000 2.425) 7.235 7.402 ( -3.179 -0.000 -1.953) 3.731 12.826 ( 1.486 -0.000 -0.230) 1.503 12.837 ( 0.961 0.000 0.259) 0.995 13.575 ( 0.950 -0.000 -2.434) 2.613 13.689 ( -1.222 0.000 2.376) 2.671 17.441 ( -0.790 -0.000 -1.793) 1.959 17.528 ( -1.704 0.000 1.973) 2.607 17.808 ( -0.992 -0.000 -1.638) 1.914 17.811 ( -0.863 -0.000 -1.122) 1.415 18.558 ( 2.023 -0.000 -0.322) 2.048 18.603 ( 0.970 0.000 1.789) 2.035 28.203 ( -0.433 -0.000 -0.371) 0.570 28.234 ( 0.068 0.000 0.944) 0.947 31.681 ( 4.034 -0.000 -4.560) 6.089 31.778 ( -3.096 -0.000 -3.831) 4.926 32.062 ( 2.696 -0.000 -1.967) 3.337 32.289 ( 9.700 0.000 13.113) 16.311 33.635 ( 2.335 -0.000 -6.889) 7.274 33.885 ( -6.439 0.000 1.458) 6.602 ======================= Grid point 519 (185/216) ======================= q-point: ( 0.45 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -0.000 21.469 7.498) 22.740 1.872 ( -0.000 19.607 17.604) 26.350 2.841 ( 0.000 -9.844 3.525) 10.456 2.903 ( -0.000 -3.644 -8.143) 8.921 3.229 ( -0.000 11.118 10.867) 15.547 3.393 ( 0.000 -5.134 2.636) 5.771 3.510 ( 0.000 -4.165 4.075) 5.827 3.589 ( 0.000 3.790 7.084) 8.034 4.033 ( -0.000 2.746 2.458) 3.685 4.133 ( -0.000 6.635 -6.139) 9.039 4.365 ( 0.000 0.117 6.586) 6.587 4.625 ( -0.000 16.396 4.237) 16.935 4.835 ( -0.000 6.152 -2.710) 6.723 4.895 ( -0.000 3.372 1.332) 3.625 4.955 ( 0.000 -2.853 4.130) 5.019 5.209 ( 0.000 -7.997 -1.130) 8.076 5.545 ( -0.000 2.090 1.109) 2.366 6.286 ( -0.000 3.347 -3.137) 4.587 6.358 ( -0.000 1.823 0.268) 1.843 6.671 ( -0.000 -15.001 -17.339) 22.928 6.998 ( -0.000 4.625 -3.125) 5.581 7.147 ( -0.000 -1.118 -5.512) 5.624 7.444 ( -0.000 -0.297 -4.730) 4.739 7.591 ( 0.000 -7.588 10.453) 12.917 12.804 ( -0.000 1.930 0.336) 1.959 12.923 ( 0.000 -2.078 -0.056) 2.079 13.519 ( -0.000 4.182 -0.109) 4.183 13.778 ( 0.000 -5.098 -0.584) 5.131 17.424 ( -0.000 -0.283 -1.197) 1.230 17.469 ( 0.000 -0.548 1.671) 1.759 17.677 ( -0.000 3.257 -1.206) 3.473 17.919 ( 0.000 -3.223 -0.798) 3.321 18.603 ( 0.000 0.320 0.950) 1.002 18.613 ( 0.000 0.392 0.630) 0.742 28.190 ( -0.000 0.587 0.295) 0.657 28.237 ( 0.000 -0.817 0.052) 0.819 31.517 ( -0.000 5.396 -1.129) 5.513 32.045 ( 0.000 -11.018 -4.278) 11.820 32.156 ( -0.000 10.178 1.185) 10.247 32.578 ( 0.000 -5.093 0.057) 5.093 33.251 ( -0.000 15.196 2.018) 15.329 34.055 ( 0.000 -11.391 -2.102) 11.583 ======================= Grid point 520 (186/216) ======================= q-point: ( 0.55 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -3.123 17.006 11.431) 20.727 2.213 ( -5.554 15.926 14.661) 22.348 2.711 ( 3.306 -9.309 -6.275) 11.703 2.827 ( -3.572 -9.320 0.653) 10.002 3.303 ( 6.096 -6.275 12.678) 15.404 3.412 ( -0.474 6.697 9.096) 11.305 3.590 ( -4.608 -1.592 8.302) 9.627 3.710 ( -5.931 0.973 3.378) 6.894 3.931 ( 8.596 2.098 -4.274) 9.826 4.274 ( -6.681 9.012 0.957) 11.259 4.424 ( 2.450 6.692 8.089) 10.781 4.738 ( 4.689 6.165 6.237) 9.945 4.862 ( 3.351 0.894 -0.725) 3.543 4.930 ( 0.608 -2.980 2.142) 3.720 5.053 ( -11.766 0.146 4.020) 12.434 5.177 ( -5.985 -1.036 -0.141) 6.076 5.572 ( 3.379 7.310 -1.479) 8.188 6.118 ( 15.261 -7.588 -9.013) 19.280 6.303 ( 3.366 2.050 -2.093) 4.462 6.502 ( -0.361 -3.919 -4.852) 6.248 7.047 ( -3.567 1.142 -7.790) 8.644 7.116 ( -4.419 0.202 -6.699) 8.028 7.398 ( 1.443 0.904 -4.727) 5.024 7.560 ( 1.877 -7.424 4.583) 8.924 12.822 ( 0.438 1.994 0.412) 2.083 12.898 ( 0.698 -1.996 -0.010) 2.114 13.552 ( 0.696 4.258 -0.058) 4.315 13.728 ( -0.045 -4.664 -0.428) 4.684 17.422 ( -0.696 0.062 -1.366) 1.534 17.481 ( -1.351 -1.395 1.662) 2.556 17.705 ( -0.653 4.095 -1.820) 4.529 17.876 ( 0.022 -4.075 -1.376) 4.302 18.603 ( 1.145 0.494 0.585) 1.377 18.622 ( 0.055 0.036 1.401) 1.402 28.198 ( 0.055 0.446 0.097) 0.460 28.232 ( -0.218 -0.608 0.415) 0.767 31.569 ( -1.552 6.024 -2.658) 6.765 31.902 ( 0.125 -10.741 -6.114) 12.360 32.211 ( 5.610 7.025 0.212) 8.993 32.511 ( 3.656 -2.845 4.797) 6.669 33.399 ( 0.515 15.708 0.597) 15.728 33.958 ( -3.553 -13.052 -2.593) 13.774 ======================= Grid point 521 (187/216) ======================= q-point: ( 0.64 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -1.025 10.084 5.283) 11.430 2.491 ( -4.045 3.850 8.496) 10.167 2.542 ( 2.740 -4.568 0.307) 5.336 2.827 ( -2.027 -2.877 -0.822) 3.614 3.261 ( 5.724 -5.181 18.031) 19.614 3.576 ( -4.697 7.293 4.284) 9.675 3.682 ( -3.342 -3.889 4.474) 6.805 3.760 ( 2.571 1.856 0.510) 3.211 3.910 ( -6.310 0.633 4.368) 7.700 4.391 ( 3.031 4.452 0.201) 5.390 4.560 ( -1.265 6.125 9.640) 11.491 4.671 ( 9.970 -2.152 6.627) 12.164 4.822 ( 3.139 3.215 2.738) 5.262 4.919 ( -2.661 -5.925 8.271) 10.517 5.250 ( -10.183 -0.692 -1.623) 10.334 5.356 ( -12.533 2.915 1.548) 12.960 5.554 ( 5.409 7.665 -1.202) 9.458 5.754 ( 12.015 -9.614 -3.253) 15.728 6.203 ( 7.188 0.137 -6.700) 9.827 6.424 ( 5.524 0.065 -3.670) 6.633 7.021 ( -2.749 1.105 -11.253) 11.636 7.162 ( -5.090 0.117 -6.906) 8.580 7.354 ( 0.751 0.740 -3.720) 3.866 7.481 ( 3.275 -3.912 0.950) 5.190 12.832 ( 0.962 1.825 0.245) 2.077 12.866 ( 1.118 -1.693 0.041) 2.030 13.568 ( 1.395 2.661 -0.998) 3.166 13.699 ( -0.958 -2.766 0.873) 3.055 17.421 ( -0.469 -0.131 -1.150) 1.249 17.513 ( -2.407 -0.902 1.758) 3.114 17.743 ( -1.032 4.233 -2.170) 4.868 17.826 ( -0.358 -4.347 -1.856) 4.740 18.586 ( 1.884 0.394 0.040) 1.925 18.629 ( 0.546 -0.117 1.772) 1.858 28.197 ( 0.032 0.023 -0.267) 0.270 28.240 ( -0.343 -0.105 0.933) 1.000 31.630 ( -1.836 5.738 -3.616) 7.026 31.763 ( 0.089 -8.072 -6.194) 10.176 32.119 ( 7.571 1.159 -2.812) 8.159 32.508 ( 5.138 0.500 12.715) 13.723 33.532 ( 1.192 15.839 -2.356) 16.057 33.872 ( -4.963 -14.223 -3.188) 15.398 ======================= Grid point 522 (188/216) ======================= q-point: ( 0.73 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 1.683 -0.000 -16.632) 16.717 2.562 ( -0.236 0.000 12.564) 12.566 2.684 ( -5.435 0.000 13.174) 14.251 2.760 ( 7.113 -0.000 -2.668) 7.597 3.291 ( 6.652 0.000 19.116) 20.241 3.654 ( 4.259 -0.000 -1.024) 4.380 3.658 ( -3.631 -0.000 -6.887) 7.785 3.926 ( -13.689 0.000 12.452) 18.505 4.064 ( -4.263 0.000 7.531) 8.654 4.287 ( 8.290 -0.000 -1.140) 8.368 4.511 ( 10.505 0.000 6.126) 12.160 4.662 ( 1.917 0.000 2.575) 3.210 4.843 ( 7.076 0.000 7.830) 10.554 5.025 ( -7.206 0.000 9.398) 11.843 5.382 ( -13.636 0.000 -2.820) 13.925 5.434 ( 10.823 -0.000 -3.198) 11.286 5.585 ( -12.725 0.000 0.077) 12.725 5.673 ( -0.245 0.000 10.371) 10.374 5.993 ( 10.783 -0.000 -11.035) 15.429 6.273 ( 8.493 -0.000 -4.673) 9.694 6.995 ( -4.541 -0.000 -12.796) 13.578 7.133 ( 2.158 -0.000 -6.328) 6.686 7.351 ( -3.607 -0.000 -4.913) 6.095 7.415 ( 4.414 0.000 2.163) 4.915 12.823 ( 1.586 -0.000 -0.143) 1.593 12.841 ( 0.939 0.000 0.314) 0.990 13.543 ( 1.576 -0.000 -1.913) 2.479 13.722 ( -1.886 0.000 2.011) 2.757 17.420 ( -0.536 -0.000 -0.966) 1.105 17.560 ( -2.159 0.000 2.387) 3.219 17.775 ( -1.232 -0.000 -2.766) 3.028 17.791 ( -1.046 -0.000 -1.661) 1.962 18.553 ( 2.426 -0.000 -0.503) 2.478 18.629 ( 1.009 0.000 1.703) 1.979 28.199 ( -0.552 -0.000 -0.182) 0.581 28.248 ( 0.221 0.000 0.901) 0.928 31.630 ( 3.224 -0.000 -2.152) 3.877 31.710 ( -4.232 -0.000 -4.963) 6.523 32.017 ( 2.001 -0.000 -4.160) 4.616 32.510 ( 9.251 0.000 16.395) 18.825 33.544 ( 5.282 -0.000 -5.231) 7.434 33.872 ( -8.640 -0.000 -3.253) 9.232 ======================= Grid point 532 (189/216) ======================= q-point: ( 0.55 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.000 18.780 12.444) 22.529 2.186 ( 0.000 15.505 22.470) 27.300 2.814 ( 0.000 -6.744 -3.581) 7.636 2.859 ( -0.000 -7.864 -1.598) 8.024 3.316 ( 0.000 13.092 0.610) 13.107 3.513 ( 0.000 -0.980 12.200) 12.240 3.672 ( 0.000 -2.446 18.163) 18.327 3.702 ( 0.000 1.017 8.225) 8.287 4.054 ( -0.000 5.527 -4.349) 7.033 4.084 ( 0.000 -0.576 4.684) 4.720 4.449 ( 0.000 3.127 4.593) 5.556 4.722 ( 0.000 17.662 8.458) 19.583 4.781 ( -0.000 9.287 -4.419) 10.285 4.927 ( 0.000 -0.699 3.537) 3.606 5.048 ( -0.000 -3.372 8.199) 8.865 5.185 ( 0.000 -6.954 -2.121) 7.270 5.569 ( 0.000 -1.059 2.177) 2.421 6.174 ( 0.000 -0.837 -13.129) 13.155 6.363 ( 0.000 1.939 0.398) 1.980 6.459 ( -0.000 -4.034 -8.672) 9.564 6.929 ( 0.000 3.656 -6.155) 7.159 7.024 ( 0.000 -0.111 -10.943) 10.943 7.344 ( 0.000 1.899 -8.409) 8.621 7.708 ( 0.000 -12.529 4.131) 13.192 12.812 ( 0.000 1.794 0.839) 1.981 12.921 ( -0.000 -1.849 -0.179) 1.857 13.521 ( -0.000 4.024 0.561) 4.062 13.765 ( -0.000 -4.675 -1.195) 4.825 17.403 ( 0.000 0.111 -1.440) 1.444 17.501 ( 0.000 -1.470 2.429) 2.839 17.653 ( 0.000 2.447 -1.750) 3.008 17.901 ( 0.000 -3.607 -1.561) 3.931 18.619 ( 0.000 0.566 1.062) 1.203 18.623 ( 0.000 0.570 0.700) 0.902 28.197 ( -0.000 0.509 0.532) 0.736 28.238 ( -0.000 -0.735 0.051) 0.737 31.496 ( -0.000 3.005 -1.594) 3.401 31.957 ( 0.000 -11.282 -7.407) 13.496 32.185 ( -0.000 10.537 2.897) 10.927 32.577 ( -0.000 -2.295 -0.284) 2.313 33.294 ( -0.000 12.385 3.844) 12.967 34.008 ( -0.000 -9.908 -4.309) 10.804 ======================= Grid point 533 (190/216) ======================= q-point: ( 0.64 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -2.526 11.411 7.077) 13.663 2.464 ( -1.653 12.133 14.036) 18.627 2.656 ( 5.349 -4.717 2.480) 7.551 2.838 ( -4.318 -8.360 0.443) 9.420 3.435 ( -1.616 11.213 -2.618) 11.628 3.545 ( 4.521 -3.463 17.568) 18.468 3.764 ( -1.202 -2.134 5.124) 5.679 3.824 ( 1.769 -7.463 14.783) 16.654 3.906 ( 3.798 2.463 5.328) 6.992 4.292 ( -8.106 8.096 1.966) 11.624 4.535 ( 0.793 9.372 7.120) 11.796 4.817 ( 0.372 5.385 -1.856) 5.708 4.872 ( 8.834 6.398 8.168) 13.627 4.961 ( -2.998 -2.816 1.896) 4.529 5.146 ( -7.770 -3.785 5.443) 10.214 5.185 ( -7.132 2.328 3.730) 8.379 5.553 ( 2.710 1.214 -1.014) 3.138 5.949 ( 8.047 -7.718 -12.140) 16.484 6.281 ( 7.601 1.248 -0.952) 7.761 6.446 ( 0.515 0.273 -3.058) 3.113 6.906 ( -0.391 0.953 -11.323) 11.370 6.991 ( -6.170 1.503 -9.766) 11.649 7.310 ( 0.395 3.528 -6.941) 7.796 7.590 ( 2.054 -10.369 -0.897) 10.608 12.831 ( 0.606 1.773 0.782) 2.030 12.897 ( 0.788 -1.698 -0.090) 1.874 13.555 ( 0.956 3.601 0.504) 3.759 13.719 ( -0.511 -3.882 -0.710) 3.979 17.406 ( -0.479 0.728 -0.754) 1.152 17.510 ( -1.512 -2.386 2.196) 3.578 17.673 ( -0.779 3.651 -2.452) 4.467 17.849 ( -0.079 -4.493 -2.226) 5.015 18.610 ( 1.721 0.709 0.210) 1.873 18.643 ( -0.390 0.064 1.336) 1.393 28.200 ( 0.477 0.218 0.162) 0.548 28.239 ( -0.682 -0.372 0.500) 0.924 31.525 ( -2.073 3.547 -3.010) 5.093 31.797 ( -0.064 -10.114 -7.730) 12.730 32.215 ( 9.045 5.812 0.346) 10.757 32.595 ( -2.466 0.579 6.407) 6.889 33.412 ( 2.242 13.203 1.227) 13.448 33.905 ( -2.989 -11.598 -4.549) 12.812 ======================= Grid point 534 (191/216) ======================= q-point: ( 0.73 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 3.782 -1.584 -11.251) 11.975 2.662 ( 2.719 0.908 9.408) 9.835 2.698 ( -2.734 7.673 12.032) 14.530 2.839 ( 0.015 -2.821 5.184) 5.902 3.523 ( -3.629 4.645 -3.899) 7.067 3.598 ( 7.842 0.291 22.969) 24.272 3.688 ( 3.752 -2.915 -0.592) 4.788 3.832 ( -7.030 -2.059 3.241) 8.010 4.076 ( -2.656 2.401 16.259) 16.648 4.398 ( 2.467 -0.392 0.963) 2.678 4.673 ( 0.812 5.548 5.831) 8.090 4.756 ( 12.125 1.729 4.875) 13.182 4.882 ( 0.686 8.330 5.742) 10.140 5.041 ( -8.612 -4.873 6.621) 11.906 5.219 ( -1.869 -3.795 -2.715) 5.027 5.378 ( -12.913 0.684 1.059) 12.974 5.514 ( 4.821 2.300 -5.473) 7.648 5.759 ( 0.488 -4.396 5.716) 7.227 6.118 ( 11.990 -0.106 -4.739) 12.893 6.355 ( 7.102 0.431 -5.198) 8.811 6.839 ( -2.242 0.927 -12.899) 13.126 7.039 ( -6.359 0.726 -9.439) 11.405 7.285 ( 0.695 2.161 -5.503) 5.952 7.476 ( 1.347 -4.696 -1.769) 5.196 12.836 ( 1.214 1.433 0.363) 1.913 12.867 ( 1.177 -1.260 0.085) 1.727 13.555 ( 2.041 1.409 -0.654) 2.565 13.711 ( -1.759 -1.513 0.806) 2.456 17.412 ( -0.080 0.254 -0.024) 0.267 17.543 ( -2.766 -1.278 2.297) 3.815 17.705 ( -1.240 3.911 -2.845) 4.992 17.793 ( -0.630 -4.511 -2.546) 5.218 18.583 ( 2.294 0.529 -0.437) 2.394 18.654 ( 0.360 -0.153 1.439) 1.491 28.194 ( 0.131 -0.029 -0.112) 0.175 28.253 ( -0.475 -0.041 0.815) 0.944 31.578 ( -3.392 3.325 -3.358) 5.817 31.673 ( -0.785 -6.562 -5.725) 8.744 32.075 ( 9.378 0.878 -2.974) 9.877 32.712 ( 1.364 2.030 14.597) 14.800 33.497 ( 3.040 14.483 -2.440) 14.999 33.805 ( -4.562 -13.513 -5.863) 15.421 ======================= Grid point 535 (192/216) ======================= q-point: ( 0.82 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 2.404 -0.000 -13.441) 13.654 2.593 ( 8.663 -0.000 -4.547) 9.783 2.859 ( -3.081 0.000 10.579) 11.019 2.876 ( 2.625 0.000 14.039) 14.283 3.515 ( 3.062 -0.000 -4.119) 5.132 3.675 ( -0.073 0.000 3.339) 3.340 3.678 ( 3.401 0.000 23.653) 23.896 4.009 ( -11.434 0.000 1.464) 11.528 4.243 ( -1.740 0.000 14.305) 14.411 4.275 ( 8.429 -0.000 -0.557) 8.447 4.616 ( 11.084 0.000 7.697) 13.494 4.672 ( 3.540 -0.000 -0.769) 3.623 4.910 ( 9.820 -0.000 1.098) 9.881 5.153 ( -5.142 0.000 7.010) 8.693 5.354 ( -17.568 0.000 -0.890) 17.590 5.360 ( 5.268 -0.000 -6.556) 8.410 5.579 ( -11.794 0.000 -0.997) 11.836 5.793 ( 6.525 0.000 2.077) 6.847 5.843 ( 16.137 -0.000 -8.580) 18.276 6.254 ( 0.604 0.000 5.303) 5.337 6.812 ( -5.723 -0.000 -11.357) 12.717 7.030 ( 0.342 -0.000 -7.322) 7.330 7.259 ( -2.774 -0.000 -7.416) 7.918 7.440 ( 0.858 0.000 1.154) 1.438 12.822 ( 1.574 -0.000 -0.032) 1.575 12.846 ( 1.010 0.000 0.322) 1.060 13.519 ( 2.111 -0.000 -1.239) 2.447 13.748 ( -2.392 0.000 1.500) 2.823 17.414 ( -0.047 0.000 0.136) 0.144 17.598 ( -2.498 0.000 2.770) 3.730 17.729 ( -1.567 -0.000 -3.325) 3.676 17.763 ( -1.277 -0.000 -1.972) 2.349 18.543 ( 2.611 -0.000 -0.805) 2.732 18.651 ( 1.114 0.000 1.191) 1.631 28.197 ( -0.626 0.000 -0.068) 0.629 28.260 ( 0.345 0.000 0.697) 0.778 31.618 ( 0.729 0.000 0.399) 0.831 31.641 ( -5.256 -0.000 -4.164) 6.706 31.942 ( 3.118 -0.000 -5.627) 6.433 32.762 ( 9.095 0.000 17.346) 19.586 33.482 ( 7.463 -0.000 -3.181) 8.113 33.790 ( -10.818 -0.000 -7.729) 13.295 ======================= Grid point 545 (193/216) ======================= q-point: ( 0.64 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.000 15.412 14.378) 21.077 2.467 ( 0.000 8.425 13.606) 16.004 2.810 ( 0.000 -3.999 3.314) 5.194 2.811 ( -0.000 -5.719 -4.115) 7.045 3.293 ( 0.000 11.727 -2.257) 11.942 3.654 ( 0.000 -1.486 4.521) 4.759 3.836 ( 0.000 8.654 8.545) 12.161 4.002 ( 0.000 -10.558 19.191) 21.904 4.005 ( -0.000 14.228 3.320) 14.610 4.206 ( 0.000 -7.717 13.456) 15.511 4.507 ( 0.000 7.415 4.039) 8.443 4.705 ( 0.000 12.310 -5.215) 13.369 4.846 ( 0.000 9.141 6.660) 11.309 5.030 ( 0.000 2.149 11.514) 11.713 5.148 ( 0.000 -5.702 -2.601) 6.267 5.179 ( 0.000 -3.425 8.326) 9.003 5.601 ( 0.000 -4.117 1.471) 4.372 5.953 ( 0.000 -2.981 -14.173) 14.483 6.369 ( 0.000 1.986 0.272) 2.005 6.394 ( 0.000 0.882 -1.958) 2.148 6.819 ( 0.000 2.338 -8.614) 8.926 6.832 ( 0.000 1.276 -14.588) 14.643 7.211 ( 0.000 4.362 -8.844) 9.861 7.699 ( -0.000 -12.755 -5.359) 13.835 12.829 ( 0.000 1.435 1.358) 1.976 12.917 ( -0.000 -1.469 -0.415) 1.527 13.538 ( -0.000 3.301 1.791) 3.755 13.743 ( -0.000 -3.895 -1.859) 4.316 17.388 ( 0.000 0.744 -0.530) 0.913 17.528 ( -0.000 0.030 0.478) 0.479 17.637 ( 0.000 -0.870 0.225) 0.899 17.873 ( 0.000 -4.215 -2.297) 4.801 18.630 ( 0.000 0.905 0.467) 1.018 18.631 ( 0.000 0.786 0.285) 0.836 28.206 ( -0.000 0.381 0.668) 0.769 28.238 ( -0.000 -0.600 -0.034) 0.601 31.476 ( -0.000 -0.248 -0.781) 0.820 31.835 ( -0.000 -11.207 -8.761) 14.225 32.241 ( -0.000 10.668 4.610) 11.622 32.566 ( -0.000 1.284 -1.366) 1.875 33.364 ( -0.000 8.490 5.582) 10.161 33.929 ( -0.000 -7.820 -6.378) 10.092 ======================= Grid point 546 (194/216) ======================= q-point: ( 0.73 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 7.871 -1.257 -0.492) 7.986 2.608 ( -5.218 10.548 9.595) 15.184 2.749 ( 1.242 0.231 3.084) 3.332 2.893 ( -3.215 -1.810 8.656) 9.410 3.383 ( -0.622 9.895 -3.479) 10.508 3.687 ( -5.013 -2.241 1.775) 5.771 3.814 ( 10.093 -1.359 0.084) 10.184 4.024 ( 8.350 -2.206 19.900) 21.694 4.120 ( -2.894 3.473 12.373) 13.173 4.369 ( -8.301 -1.775 10.357) 13.391 4.652 ( 0.176 10.917 9.402) 14.409 4.753 ( 1.352 10.424 -5.359) 11.799 4.965 ( -3.692 1.156 2.009) 4.360 5.052 ( 10.002 0.995 11.595) 15.345 5.157 ( -8.914 -2.695 -0.753) 9.343 5.284 ( -3.334 0.574 3.900) 5.163 5.537 ( 2.501 -3.571 -1.718) 4.686 5.817 ( -0.433 -5.140 -3.694) 6.345 6.271 ( 9.994 1.024 -0.537) 10.061 6.403 ( 3.265 1.076 -2.794) 4.430 6.722 ( 0.399 1.172 -12.990) 13.048 6.837 ( -7.130 1.432 -10.929) 13.127 7.209 ( -0.509 5.181 -5.996) 7.941 7.531 ( 0.746 -9.905 -6.827) 12.053 12.844 ( 0.826 1.320 1.041) 1.873 12.895 ( 0.851 -1.229 -0.262) 1.518 13.567 ( 1.484 2.344 1.131) 2.996 13.707 ( -1.187 -2.631 -0.940) 3.035 17.404 ( -0.246 1.601 0.576) 1.719 17.538 ( -1.553 -1.235 1.034) 2.237 17.642 ( -0.936 1.098 -1.069) 1.795 17.811 ( -0.241 -4.999 -2.965) 5.817 18.609 ( 2.235 0.906 -0.325) 2.434 18.659 ( -0.858 0.133 0.759) 1.154 28.203 ( 0.844 0.032 0.173) 0.862 28.246 ( -1.080 -0.172 0.428) 1.174 31.488 ( -2.560 0.542 -1.798) 3.175 31.682 ( -0.900 -9.126 -7.616) 11.921 32.222 ( 12.887 4.768 0.566) 13.752 32.690 ( -9.241 4.835 6.125) 12.095 33.437 ( 4.497 9.227 2.248) 10.508 33.826 ( -2.159 -9.675 -6.028) 11.602 ======================= Grid point 547 (195/216) ======================= q-point: ( 0.82 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 7.958 -3.978 -7.636) 11.724 2.705 ( 6.524 -0.583 -0.565) 6.574 2.869 ( -3.112 8.656 11.343) 14.604 2.989 ( -1.273 -1.453 10.905) 11.074 3.427 ( -1.171 4.620 -7.355) 8.764 3.681 ( 1.419 -2.739 0.236) 3.093 3.815 ( -10.028 1.604 0.786) 10.186 4.022 ( 8.467 -3.139 25.172) 26.743 4.286 ( 1.847 9.259 9.305) 13.256 4.446 ( 1.644 -7.069 7.421) 10.380 4.701 ( 3.095 2.908 -2.112) 4.743 4.849 ( 9.373 9.950 7.723) 15.700 4.984 ( 3.654 1.567 7.084) 8.123 5.094 ( -8.357 3.517 -0.323) 9.073 5.176 ( -2.692 -8.142 -1.655) 8.734 5.374 ( -9.344 -4.370 -2.691) 10.660 5.411 ( 2.400 -0.582 -6.232) 6.704 5.877 ( -0.452 0.609 6.475) 6.519 6.063 ( 15.898 -0.116 -2.740) 16.132 6.308 ( 4.058 0.712 1.049) 4.252 6.659 ( -3.199 0.197 -10.829) 11.293 6.889 ( -7.762 0.925 -10.810) 13.341 7.202 ( 1.096 1.851 -5.223) 5.648 7.435 ( -1.777 -3.360 -3.382) 5.088 12.842 ( 1.483 0.795 0.332) 1.715 12.868 ( 1.188 -0.609 0.099) 1.338 13.548 ( 2.573 0.411 -0.270) 2.619 13.722 ( -2.359 -0.548 0.577) 2.490 17.421 ( 0.471 0.793 1.135) 1.463 17.576 ( -2.929 -0.325 1.819) 3.463 17.666 ( -1.490 1.893 -2.018) 3.142 17.753 ( -1.046 -4.330 -2.895) 5.312 18.574 ( 2.575 0.613 -0.718) 2.743 18.670 ( 0.154 -0.159 0.818) 0.847 28.194 ( 0.205 -0.050 -0.027) 0.213 28.263 ( -0.564 0.000 0.549) 0.787 31.535 ( -4.563 0.263 -2.345) 5.137 31.600 ( -2.891 -4.429 -3.968) 6.612 32.036 ( 12.047 0.844 -2.209) 12.277 32.931 ( -3.303 4.511 14.687) 15.715 33.454 ( 4.354 12.690 -3.699) 13.916 33.707 ( -2.560 -13.544 -6.753) 15.349 ======================= Grid point 548 (196/216) ======================= q-point: (-0.09 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 3.855 -0.000 -7.488) 8.422 2.530 ( 12.962 -0.000 -3.177) 13.346 3.001 ( 0.066 0.000 8.346) 8.347 3.053 ( 1.859 0.000 8.619) 8.817 3.409 ( -2.176 -0.000 -7.411) 7.723 3.736 ( -6.128 0.000 4.254) 7.460 4.010 ( -11.174 0.000 -0.799) 11.202 4.071 ( 7.954 0.000 24.912) 26.151 4.275 ( 8.345 -0.000 1.231) 8.436 4.454 ( 1.994 0.000 13.962) 14.104 4.630 ( 4.529 -0.000 -5.762) 7.328 4.711 ( 12.630 0.000 3.769) 13.180 4.894 ( 9.250 -0.000 -2.331) 9.539 5.172 ( 8.309 -0.000 -5.666) 10.057 5.296 ( -7.773 0.000 0.109) 7.773 5.356 ( -18.942 0.000 1.027) 18.970 5.557 ( -10.780 0.000 -1.676) 10.909 5.720 ( 16.382 -0.000 -8.538) 18.474 5.754 ( 19.314 -0.000 -3.457) 19.621 6.434 ( -7.461 0.000 15.828) 17.498 6.677 ( -7.549 -0.000 -6.518) 9.974 6.915 ( -3.967 -0.000 -8.672) 9.536 7.147 ( 0.412 -0.000 -6.685) 6.698 7.451 ( -2.606 0.000 0.378) 2.633 12.822 ( 1.501 -0.000 0.021) 1.501 12.850 ( 1.102 -0.000 0.212) 1.123 13.506 ( 2.484 -0.000 -0.582) 2.552 13.765 ( -2.698 0.000 0.813) 2.818 17.422 ( 0.655 0.000 0.713) 0.968 17.639 ( -2.671 0.000 2.514) 3.668 17.683 ( -2.033 -0.000 -2.559) 3.268 17.734 ( -1.472 -0.000 -1.914) 2.415 18.531 ( 2.627 -0.000 -0.674) 2.712 18.664 ( 1.195 0.000 0.573) 1.325 28.197 ( -0.661 0.000 -0.017) 0.662 28.268 ( 0.429 0.000 0.376) 0.571 31.592 ( -6.020 -0.000 -2.324) 6.453 31.637 ( -3.720 0.000 1.979) 4.213 31.861 ( 6.706 -0.000 -4.965) 8.344 33.006 ( 11.091 0.000 14.643) 18.369 33.449 ( 8.693 -0.000 -1.428) 8.810 33.655 ( -14.374 -0.000 -9.600) 17.285 ======================= Grid point 549 (197/216) ======================= q-point: ( 0.00 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 4.501 -0.000 0.000) 4.501 2.506 ( 14.238 -0.000 0.000) 14.238 3.076 ( 2.592 -0.000 0.000) 2.592 3.117 ( 2.166 -0.000 0.000) 2.166 3.341 ( -4.315 0.000 -0.000) 4.315 3.774 ( -9.675 0.000 -0.000) 9.675 4.001 ( -10.866 0.000 -0.000) 10.866 4.238 ( 9.243 -0.000 0.000) 9.243 4.387 ( 7.255 -0.000 0.000) 7.255 4.514 ( 4.789 -0.000 0.000) 4.789 4.602 ( -2.223 0.000 -0.000) 2.223 4.708 ( 19.365 -0.000 0.000) 19.365 4.871 ( 8.384 -0.000 0.000) 8.384 5.109 ( 10.945 -0.000 0.000) 10.945 5.304 ( -8.548 0.000 -0.000) 8.548 5.370 ( -20.667 0.000 -0.000) 20.667 5.543 ( -10.764 0.000 -0.000) 10.764 5.639 ( 20.593 -0.000 0.000) 20.593 5.731 ( 19.739 -0.000 0.000) 19.739 6.605 ( -8.140 0.000 -0.000) 8.140 6.628 ( -8.434 0.000 -0.000) 8.434 6.806 ( -7.823 0.000 -0.000) 7.823 7.093 ( 3.127 -0.000 0.000) 3.127 7.453 ( -4.088 0.000 -0.000) 4.088 12.822 ( 1.460 -0.000 0.000) 1.460 12.851 ( 1.143 -0.000 0.000) 1.143 13.502 ( 2.620 -0.000 0.000) 2.620 13.771 ( -2.799 0.000 -0.000) 2.799 17.429 ( 1.077 -0.000 0.000) 1.077 17.662 ( -2.811 0.000 -0.000) 2.811 17.662 ( -2.339 0.000 -0.000) 2.339 17.715 ( -1.455 0.000 -0.000) 1.455 18.526 ( 2.609 -0.000 0.000) 2.609 18.668 ( 1.221 -0.000 0.000) 1.221 28.197 ( -0.671 0.000 -0.000) 0.671 28.271 ( 0.459 -0.000 0.000) 0.459 31.575 ( -6.303 0.000 -0.000) 6.303 31.658 ( -8.109 0.000 -0.000) 8.109 31.818 ( 10.816 -0.000 0.000) 10.816 33.136 ( 15.579 -0.000 0.000) 15.579 33.438 ( 9.075 -0.000 0.000) 9.075 33.563 ( -19.412 0.000 -0.000) 19.412 ======================= Grid point 557 (198/216) ======================= q-point: ( 0.73 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 10.833 13.621) 17.403 2.582 ( 0.000 -3.584 3.628) 5.100 2.755 ( -0.000 -2.994 -3.150) 4.346 2.871 ( 0.000 7.677 1.832) 7.892 3.293 ( 0.000 9.954 3.725) 10.628 3.652 ( 0.000 -0.288 -4.055) 4.065 3.917 ( 0.000 11.489 3.029) 11.882 3.979 ( -0.000 4.873 -1.256) 5.032 4.332 ( 0.000 -5.111 15.650) 16.464 4.453 ( 0.000 -3.324 15.336) 15.692 4.616 ( 0.000 12.573 13.400) 18.375 4.648 ( -0.000 3.094 -0.241) 3.104 4.923 ( 0.000 2.925 4.732) 5.563 5.114 ( -0.000 -3.945 -1.296) 4.152 5.247 ( 0.000 5.800 16.181) 17.189 5.248 ( 0.000 -4.000 -0.599) 4.044 5.588 ( 0.000 -4.629 -3.961) 6.093 5.801 ( 0.000 -2.399 -6.037) 6.496 6.370 ( 0.000 1.969 -0.162) 1.975 6.376 ( 0.000 1.776 -0.658) 1.894 6.615 ( -0.000 2.500 -13.625) 13.853 6.680 ( 0.000 1.184 -9.940) 10.010 7.119 ( 0.000 4.649 -2.256) 5.167 7.561 ( -0.000 -9.932 -12.571) 16.021 12.851 ( 0.000 0.885 1.604) 1.832 12.909 ( -0.000 -0.965 -0.763) 1.230 13.573 ( -0.000 2.012 2.862) 3.498 13.710 ( -0.000 -2.734 -2.552) 3.740 17.391 ( 0.000 1.515 1.027) 1.830 17.507 ( -0.000 2.631 -2.732) 3.793 17.668 ( 0.000 -4.818 3.433) 5.916 17.833 ( 0.000 -4.942 -3.034) 5.798 18.632 ( 0.000 0.997 -0.096) 1.001 18.633 ( 0.000 1.177 -0.087) 1.180 28.216 ( -0.000 0.209 0.681) 0.712 28.237 ( -0.000 -0.420 -0.197) 0.464 31.479 ( -0.000 -3.657 1.273) 3.872 31.707 ( -0.000 -10.505 -8.347) 13.418 32.318 ( -0.000 10.309 5.599) 11.731 32.534 ( -0.000 4.759 -3.006) 5.629 33.459 ( -0.000 4.337 7.185) 8.393 33.822 ( -0.000 -5.381 -7.901) 9.560 ======================= Grid point 558 (199/216) ======================= q-point: ( 0.82 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 13.389 -6.761 -1.577) 15.082 2.743 ( -8.607 -2.445 2.672) 9.338 2.778 ( 0.210 12.511 7.794) 14.741 2.988 ( -3.470 6.035 1.258) 7.075 3.360 ( 2.854 4.328 0.915) 5.264 3.674 ( -8.457 -3.239 -2.304) 9.345 3.809 ( 11.289 -0.876 -0.388) 11.330 4.180 ( -5.860 13.856 2.307) 15.220 4.334 ( 7.117 0.580 14.873) 16.498 4.581 ( -2.082 -5.388 15.909) 16.925 4.657 ( 2.059 7.473 -5.933) 9.761 4.819 ( -2.424 3.887 9.432) 10.486 5.006 ( -2.086 5.533 4.523) 7.445 5.131 ( -6.883 -7.648 -2.934) 10.699 5.200 ( 1.982 -0.711 4.567) 5.029 5.288 ( 7.592 1.441 1.495) 7.871 5.475 ( 4.805 -4.618 -6.989) 9.657 5.846 ( -7.905 1.002 4.984) 9.399 6.265 ( 11.301 0.907 -0.234) 11.340 6.373 ( 4.375 1.409 -0.757) 4.658 6.551 ( -0.903 0.894 -8.732) 8.824 6.675 ( -6.706 1.338 -10.657) 12.663 7.159 ( -0.406 2.838 -0.216) 2.875 7.406 ( -2.030 -6.481 -9.248) 11.474 12.860 ( 1.087 0.669 0.987) 1.613 12.889 ( 0.804 -0.600 -0.468) 1.107 13.585 ( 2.347 0.666 1.138) 2.692 13.693 ( -2.118 -1.023 -0.869) 2.508 17.422 ( 0.236 2.412 1.792) 3.014 17.526 ( -1.741 2.716 -2.224) 3.919 17.657 ( -1.032 -3.917 2.784) 4.915 17.762 ( -0.500 -5.392 -3.540) 6.470 18.602 ( 2.616 1.026 -0.427) 2.843 18.666 ( -1.256 0.209 0.254) 1.298 28.205 ( 1.089 -0.085 0.111) 1.098 28.251 ( -1.338 -0.041 0.242) 1.360 31.478 ( -2.726 -2.579 0.601) 3.801 31.580 ( -1.842 -7.488 -6.034) 9.791 32.230 ( 15.786 4.022 0.456) 16.297 32.766 ( -14.991 8.975 3.777) 17.876 33.479 ( 7.216 4.228 3.131) 8.930 33.735 ( -1.795 -7.300 -5.706) 9.437 ======================= Grid point 559 (200/216) ======================= q-point: ( 0.91 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 10.175 -5.008 -2.676) 11.652 2.694 ( 8.281 -0.285 -0.513) 8.301 3.022 ( -2.453 7.839 8.686) 11.955 3.090 ( -2.969 2.240 1.452) 3.993 3.330 ( 0.505 0.410 -4.427) 4.474 3.687 ( -0.248 -2.719 0.282) 2.745 3.808 ( -11.687 0.141 -0.615) 11.704 4.316 ( 3.924 3.932 6.118) 8.264 4.384 ( 6.496 8.158 11.864) 15.795 4.592 ( 2.906 -3.739 5.732) 7.435 4.635 ( 4.068 2.204 -3.259) 5.659 4.950 ( 1.510 2.311 4.066) 4.914 4.988 ( 9.082 2.462 -6.215) 11.277 5.104 ( -0.754 -2.001 4.731) 5.192 5.202 ( -7.769 -4.861 3.122) 9.681 5.282 ( 5.009 -3.514 -6.601) 9.001 5.366 ( -10.540 1.058 -1.881) 10.759 5.902 ( 9.681 1.169 -0.995) 9.802 6.037 ( 17.548 -0.307 -0.900) 17.573 6.402 ( -5.889 3.041 8.046) 10.424 6.548 ( -5.115 -1.765 -3.012) 6.193 6.727 ( -7.640 1.432 -9.846) 12.544 7.146 ( 1.756 -0.512 -2.015) 2.721 7.392 ( -4.551 -1.030 -1.824) 5.010 12.845 ( 1.660 0.231 0.133) 1.682 12.870 ( 1.170 -0.046 0.046) 1.172 13.546 ( 2.881 -0.165 -0.057) 2.886 13.728 ( -2.679 -0.003 0.212) 2.687 17.439 ( 1.156 1.182 0.960) 1.912 17.583 ( -2.889 3.612 -0.568) 4.660 17.664 ( -1.806 -3.630 1.595) 4.357 17.710 ( -1.565 -3.299 -2.620) 4.494 18.565 ( 2.719 0.645 -0.359) 2.817 18.678 ( 0.007 -0.152 0.248) 0.291 28.193 ( 0.246 -0.057 -0.002) 0.252 28.269 ( -0.607 0.023 0.193) 0.637 31.511 ( -4.333 -2.778 -0.833) 5.214 31.560 ( -5.401 -1.947 -1.427) 5.916 32.013 ( 13.989 0.856 -0.799) 14.038 33.126 ( -11.329 10.265 10.308) 18.438 33.378 ( 8.646 5.382 -5.945) 11.793 33.630 ( 0.352 -11.638 -2.877) 11.994 ======================= Grid point 569 (201/216) ======================= q-point: ( 0.82 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -0.000 -1.121 7.130) 7.218 2.613 ( 0.000 -8.685 0.950) 8.737 2.739 ( -0.000 7.184 2.444) 7.589 2.827 ( 0.000 13.652 -6.672) 15.195 3.404 ( 0.000 7.594 10.000) 12.557 3.551 ( -0.000 4.172 -9.019) 9.938 3.947 ( -0.000 8.219 1.395) 8.336 3.963 ( 0.000 5.843 -0.949) 5.919 4.456 ( 0.000 2.159 4.434) 4.932 4.510 ( 0.000 8.407 -2.856) 8.879 4.779 ( 0.000 -7.563 11.013) 13.360 4.825 ( 0.000 2.554 7.146) 7.588 5.011 ( 0.000 -2.305 8.037) 8.362 5.149 ( -0.000 -8.258 -3.138) 8.834 5.177 ( -0.000 1.995 4.529) 4.949 5.374 ( 0.000 -0.175 -8.600) 8.602 5.565 ( 0.000 3.364 9.677) 10.245 5.723 ( 0.000 1.126 -7.458) 7.543 6.366 ( 0.000 2.069 -0.183) 2.077 6.369 ( -0.000 2.120 -0.509) 2.180 6.484 ( -0.000 2.011 -2.393) 3.126 6.539 ( 0.000 0.979 -8.212) 8.270 7.169 ( 0.000 0.556 8.955) 8.973 7.353 ( -0.000 -5.189 -14.552) 15.450 12.875 ( 0.000 0.257 1.496) 1.518 12.894 ( -0.000 -0.375 -1.162) 1.221 13.620 ( 0.000 0.403 3.312) 3.336 13.668 ( -0.000 -1.252 -3.126) 3.367 17.417 ( 0.000 2.269 2.492) 3.370 17.461 ( -0.000 2.803 -3.259) 4.298 17.725 ( -0.000 -5.764 4.072) 7.057 17.783 ( 0.000 -5.574 -3.716) 6.699 18.630 ( -0.000 1.176 -0.083) 1.179 18.630 ( 0.000 1.264 -0.146) 1.272 28.225 ( 0.000 0.006 0.578) 0.578 28.232 ( -0.000 -0.212 -0.398) 0.451 31.517 ( -0.000 -6.686 3.966) 7.774 31.595 ( 0.000 -9.011 -6.555) 11.143 32.402 ( -0.000 9.305 5.573) 10.847 32.478 ( -0.000 7.494 -4.599) 8.793 33.574 ( -0.000 0.569 8.296) 8.315 33.699 ( 0.000 -2.630 -8.574) 8.969 ======================= Grid point 570 (202/216) ======================= q-point: ( 0.91 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 14.813 -7.964 0.000) 16.819 2.746 ( -4.032 -2.816 0.000) 4.918 2.896 ( -6.775 9.414 -0.000) 11.599 2.948 ( -2.594 13.146 -0.000) 13.400 3.380 ( 5.862 -0.268 0.000) 5.868 3.649 ( -10.847 -2.785 -0.000) 11.199 3.806 ( 11.367 -0.881 0.000) 11.401 4.193 ( -7.046 14.284 -0.000) 15.927 4.463 ( 6.659 8.879 -0.000) 11.098 4.580 ( 0.233 5.962 -0.000) 5.966 4.762 ( 3.614 -4.580 0.000) 5.834 4.875 ( -6.270 -4.506 0.000) 7.721 5.010 ( 0.875 -2.929 0.000) 3.057 5.149 ( -10.153 0.117 -0.000) 10.154 5.218 ( 1.074 -4.549 0.000) 4.674 5.315 ( 0.085 1.161 -0.000) 1.164 5.392 ( 18.772 -0.009 0.000) 18.772 5.891 ( -8.930 3.429 -0.000) 9.565 6.263 ( 11.730 0.839 0.000) 11.760 6.372 ( 2.704 2.651 -0.000) 3.787 6.500 ( -2.270 -1.428 0.000) 2.682 6.565 ( -5.218 2.538 -0.000) 5.803 7.179 ( 2.016 -2.054 0.000) 2.878 7.312 ( -5.689 -1.881 -0.000) 5.992 12.869 ( 1.405 0.075 0.000) 1.407 12.884 ( 0.563 -0.020 0.000) 0.564 13.595 ( 2.992 -0.364 0.000) 3.014 13.686 ( -2.779 -0.030 -0.000) 2.779 17.443 ( 1.189 2.742 -0.000) 2.988 17.500 ( -2.606 3.556 -0.000) 4.409 17.707 ( -0.819 -5.967 0.000) 6.022 17.709 ( -0.818 -4.725 0.000) 4.796 18.599 ( 2.761 1.064 -0.000) 2.959 18.668 ( -1.415 0.241 -0.000) 1.435 28.206 ( 1.175 -0.125 0.000) 1.181 28.253 ( -1.426 0.006 -0.000) 1.426 31.505 ( -2.194 -6.371 0.000) 6.738 31.512 ( -2.789 -4.236 0.000) 5.071 32.234 ( 16.857 3.747 0.000) 17.268 32.795 ( -17.339 10.835 -0.000) 20.446 33.510 ( 9.458 1.146 0.000) 9.527 33.684 ( -2.669 -5.539 0.000) 6.149 ======================= Grid point 616 (203/216) ======================= q-point: ( 0.45 -0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -1.741 0.000 -3.294) 3.726 2.271 ( -2.181 -0.000 -7.501) 7.812 2.829 ( 9.319 -0.000 8.204) 12.416 2.870 ( 5.706 -0.000 0.604) 5.738 3.115 ( -18.731 -0.000 10.438) 21.443 3.366 ( -18.575 -0.000 -20.409) 27.596 3.845 ( -4.689 -0.000 5.425) 7.171 3.893 ( -2.211 -0.000 5.883) 6.284 3.958 ( 0.802 -0.000 6.898) 6.945 4.221 ( 2.989 0.000 -19.884) 20.107 4.352 ( 6.350 0.000 0.897) 6.413 4.386 ( 8.619 -0.000 -2.932) 9.104 4.753 ( 0.861 0.000 1.876) 2.064 4.802 ( -2.266 -0.000 -4.777) 5.287 5.468 ( 10.151 0.000 0.923) 10.193 5.469 ( 13.388 0.000 0.258) 13.390 5.524 ( -12.472 -0.000 0.839) 12.501 5.553 ( -13.431 -0.000 -2.123) 13.597 6.276 ( 7.284 -0.000 6.588) 9.821 6.340 ( 8.230 -0.000 -1.895) 8.446 7.258 ( 2.206 -0.000 2.458) 3.303 7.273 ( -2.595 -0.000 1.972) 3.260 7.366 ( 4.581 -0.000 1.882) 4.952 7.405 ( -1.488 -0.000 -1.656) 2.227 12.829 ( 1.296 0.000 0.250) 1.320 12.833 ( 1.094 -0.000 -0.238) 1.120 13.613 ( 0.261 -0.000 2.665) 2.678 13.652 ( -0.478 0.000 -2.613) 2.656 17.470 ( -0.979 -0.000 2.034) 2.258 17.500 ( -1.274 -0.000 -1.919) 2.303 17.823 ( -0.805 -3.561 0.455) 3.679 17.823 ( -0.805 3.561 0.455) 3.679 18.565 ( 1.518 -0.000 0.651) 1.652 18.579 ( 1.125 -0.000 -1.322) 1.736 28.210 ( -0.277 -0.000 0.608) 0.668 28.221 ( -0.103 -0.000 -0.827) 0.834 31.756 ( 2.642 -0.000 5.126) 5.767 31.806 ( -0.965 -0.000 -0.749) 1.222 32.083 ( 5.055 -0.000 1.593) 5.300 32.138 ( 8.614 -0.000 -6.840) 11.000 33.740 ( -0.867 -0.000 7.079) 7.132 33.834 ( -3.857 0.000 -5.187) 6.464 ======================= Grid point 628 (204/216) ======================= q-point: ( 0.45 -0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -0.100 14.184 -0.000) 14.184 2.285 ( -3.190 -2.252 0.000) 3.905 2.789 ( -10.432 5.689 -0.000) 11.883 3.008 ( -14.616 -13.916 0.000) 20.182 3.026 ( 2.592 1.470 -0.000) 2.979 3.065 ( 6.925 -4.227 0.000) 8.113 3.715 ( -6.705 8.190 -0.000) 10.584 3.800 ( -6.244 1.658 -0.000) 6.460 4.030 ( 1.947 7.290 -0.000) 7.545 4.188 ( 0.186 -8.957 0.000) 8.959 4.388 ( 4.473 12.270 -0.000) 13.060 4.569 ( 9.298 -5.042 0.000) 10.577 4.774 ( 3.934 0.101 0.000) 3.935 4.819 ( 1.901 -4.573 0.000) 4.952 5.288 ( -16.493 1.450 -0.000) 16.556 5.319 ( -11.247 1.946 -0.000) 11.414 5.585 ( 10.770 10.438 -0.000) 14.998 5.817 ( 19.035 -10.291 0.000) 21.639 6.362 ( 2.713 4.536 -0.000) 5.286 6.457 ( 5.121 -5.685 0.000) 7.652 7.220 ( -3.248 1.126 -0.000) 3.438 7.252 ( -5.701 -2.493 0.000) 6.222 7.420 ( 2.984 -0.158 0.000) 2.988 7.424 ( 2.242 -0.743 0.000) 2.362 12.829 ( 0.736 2.012 -0.000) 2.142 12.866 ( 1.015 -1.959 0.000) 2.206 13.590 ( 0.410 4.844 -0.000) 4.861 13.681 ( 0.292 -5.012 0.000) 5.020 17.462 ( -0.713 0.351 -0.000) 0.795 17.473 ( -1.983 -0.963 0.000) 2.204 17.776 ( -0.785 4.137 -0.000) 4.211 17.854 ( -0.119 -4.035 0.000) 4.036 18.586 ( 0.999 0.333 0.000) 1.053 18.591 ( 1.001 -0.173 0.000) 1.016 28.208 ( -0.327 0.491 -0.000) 0.590 28.218 ( 0.069 -0.577 0.000) 0.581 31.699 ( -1.277 8.657 -0.000) 8.751 31.883 ( -0.666 -10.967 0.000) 10.987 32.184 ( 7.129 5.154 -0.000) 8.797 32.264 ( 10.202 -3.491 0.000) 10.783 33.578 ( -1.920 18.518 -0.000) 18.617 33.907 ( -4.004 -16.666 0.000) 17.140 ======================= Grid point 640 (205/216) ======================= q-point: ( 0.45 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.000 17.850 -0.000) 17.850 2.189 ( -0.000 16.114 -0.000) 16.114 2.582 ( 0.000 -9.394 0.000) 9.394 2.745 ( 0.000 -19.515 0.000) 19.515 3.162 ( -0.000 1.804 -0.000) 1.804 3.228 ( 0.000 -6.182 0.000) 6.182 3.570 ( -0.000 6.560 -0.000) 6.560 3.632 ( -0.000 1.245 -0.000) 1.245 4.086 ( -0.000 4.073 -0.000) 4.073 4.175 ( 0.000 -5.527 0.000) 5.527 4.548 ( -0.000 20.402 -0.000) 20.402 4.761 ( -0.000 4.176 -0.000) 4.176 4.867 ( 0.000 -3.562 0.000) 3.562 4.891 ( 0.000 -10.136 0.000) 10.136 4.897 ( -0.000 5.805 -0.000) 5.805 5.047 ( 0.000 -9.406 0.000) 9.406 5.838 ( -0.000 26.406 -0.000) 26.406 6.360 ( 0.000 -26.205 0.000) 26.205 6.360 ( -0.000 0.343 0.000) 0.343 6.376 ( -0.000 0.199 -0.000) 0.199 7.102 ( -0.000 3.630 -0.000) 3.630 7.155 ( 0.000 -2.133 0.000) 2.133 7.465 ( 0.000 -0.315 0.000) 0.315 7.468 ( 0.000 -0.621 0.000) 0.621 12.840 ( -0.000 2.167 -0.000) 2.167 12.882 ( 0.000 -2.285 0.000) 2.285 13.601 ( -0.000 4.541 -0.000) 4.541 13.689 ( 0.000 -4.874 0.000) 4.874 17.435 ( -0.000 0.450 -0.000) 0.450 17.447 ( 0.000 -0.773 0.000) 0.773 17.765 ( -0.000 4.773 -0.000) 4.773 17.853 ( 0.000 -4.487 0.000) 4.487 18.601 ( -0.000 0.408 -0.000) 0.408 18.608 ( 0.000 -0.224 0.000) 0.224 28.202 ( -0.000 0.883 -0.000) 0.883 28.220 ( 0.000 -0.967 0.000) 0.967 31.671 ( -0.000 9.311 -0.000) 9.311 31.866 ( 0.000 -11.359 0.000) 11.359 32.320 ( -0.000 8.493 -0.000) 8.493 32.461 ( 0.000 -6.726 0.000) 6.726 33.538 ( -0.000 16.079 -0.000) 16.079 33.824 ( 0.000 -14.486 0.000) 14.486 ======================= Grid point 641 (206/216) ======================= q-point: ( 0.55 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 1.061 0.000 4.894) 5.008 2.260 ( 0.276 0.000 6.465) 6.471 2.639 ( -8.606 -0.000 -5.507) 10.217 2.686 ( -10.851 0.000 1.256) 10.924 3.113 ( 7.755 -0.000 0.705) 7.787 3.203 ( 2.648 0.000 12.084) 12.371 3.665 ( -5.092 0.000 -0.988) 5.187 3.678 ( -6.740 0.000 0.844) 6.793 4.053 ( 4.273 -0.000 -8.621) 9.622 4.192 ( -3.581 0.000 9.503) 10.156 4.617 ( 9.630 -0.000 -0.872) 9.670 4.660 ( 8.036 0.000 4.730) 9.325 4.823 ( 1.789 0.000 0.802) 1.960 4.823 ( 2.036 0.000 0.809) 2.191 5.083 ( -12.028 0.000 -0.579) 12.042 5.099 ( -13.382 0.000 1.400) 13.455 5.931 ( 14.305 -0.000 -4.568) 15.017 5.959 ( 14.319 -0.000 -1.214) 14.371 6.382 ( -1.203 -0.000 -4.643) 4.796 6.441 ( -2.841 0.000 2.925) 4.077 7.145 ( -3.105 -0.000 -3.658) 4.798 7.165 ( -4.398 0.000 -0.907) 4.491 7.441 ( 2.082 -0.000 -1.476) 2.552 7.465 ( 0.962 0.000 1.579) 1.849 12.857 ( 0.452 -0.000 0.053) 0.455 12.858 ( 0.418 -0.000 0.099) 0.429 13.634 ( 0.796 -0.000 -1.045) 1.314 13.648 ( -0.094 0.000 0.850) 0.855 17.441 ( -0.546 -0.000 -1.003) 1.142 17.453 ( -1.308 0.000 0.715) 1.490 17.808 ( -0.177 -0.000 -0.629) 0.653 17.809 ( -0.194 -0.000 -0.560) 0.593 18.601 ( 0.681 0.000 0.189) 0.707 18.605 ( 0.399 0.000 0.780) 0.876 28.208 ( 0.129 -0.000 -0.385) 0.406 28.215 ( -0.260 0.000 0.577) 0.633 31.763 ( -0.710 -0.000 -1.868) 1.998 31.764 ( -0.936 -0.000 -1.879) 2.100 32.322 ( 7.238 -0.000 -2.873) 7.787 32.380 ( 4.304 0.000 5.040) 6.628 33.694 ( -1.430 -0.000 -1.470) 2.051 33.711 ( -2.965 0.000 0.749) 3.058 ======================= Grid point 653 (207/216) ======================= q-point: ( 0.55 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.000 15.973 13.221) 20.735 2.234 ( 0.000 17.315 5.733) 18.239 2.618 ( -0.000 -11.439 4.107) 12.154 2.694 ( 0.000 -15.295 -5.351) 16.204 3.274 ( 0.000 -2.029 13.664) 13.814 3.286 ( 0.000 -3.969 8.434) 9.321 3.564 ( 0.000 7.095 -0.875) 7.149 3.646 ( 0.000 -0.333 1.822) 1.852 4.088 ( 0.000 3.342 0.296) 3.355 4.158 ( -0.000 -3.471 -2.013) 4.013 4.588 ( 0.000 19.112 4.816) 19.709 4.793 ( -0.000 5.314 3.979) 6.639 4.891 ( -0.000 -4.019 3.459) 5.303 4.898 ( 0.000 -9.275 1.144) 9.346 4.907 ( 0.000 4.987 1.323) 5.160 5.047 ( 0.000 -8.901 -0.021) 8.901 5.798 ( 0.000 23.534 -5.148) 24.091 6.235 ( 0.000 -17.425 -11.932) 21.119 6.381 ( 0.000 0.552 0.607) 0.821 6.398 ( -0.000 -4.919 1.033) 5.026 7.072 ( 0.000 3.283 -4.009) 5.182 7.120 ( 0.000 -1.906 -4.785) 5.150 7.450 ( 0.000 1.118 -2.103) 2.382 7.491 ( 0.000 -3.510 2.445) 4.278 12.842 ( -0.000 2.131 0.255) 2.146 12.883 ( -0.000 -2.223 0.124) 2.227 13.600 ( -0.000 4.520 -0.135) 4.522 13.686 ( -0.000 -4.790 -0.296) 4.799 17.429 ( 0.000 0.769 -0.647) 1.005 17.450 ( 0.000 -1.283 0.354) 1.331 17.755 ( 0.000 4.825 -1.306) 4.998 17.845 ( 0.000 -4.597 -1.102) 4.727 18.609 ( 0.000 0.357 0.965) 1.029 18.614 ( 0.000 -0.149 0.805) 0.818 28.204 ( -0.000 0.849 0.219) 0.877 28.221 ( -0.000 -0.933 0.131) 0.942 31.649 ( -0.000 8.724 -2.914) 9.197 31.835 ( -0.000 -11.052 -4.026) 11.762 32.331 ( -0.000 8.595 1.523) 8.728 32.472 ( -0.000 -6.544 1.429) 6.698 33.540 ( -0.000 15.555 0.214) 15.556 33.817 ( -0.000 -14.060 -0.943) 14.092 ======================= Grid point 654 (208/216) ======================= q-point: ( 0.64 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 1.478 0.000 13.053) 13.137 2.411 ( -0.813 0.000 11.586) 11.614 2.538 ( -0.707 -0.000 -6.227) 6.267 2.694 ( -10.093 0.000 0.217) 10.095 3.223 ( 8.642 0.000 13.558) 16.078 3.441 ( -1.796 0.000 19.234) 19.318 3.647 ( -2.672 -0.000 -1.393) 3.014 3.689 ( -8.088 0.000 0.554) 8.107 3.950 ( 8.643 -0.000 -5.140) 10.056 4.306 ( -11.181 0.000 5.067) 12.276 4.642 ( 10.957 0.000 4.181) 11.728 4.752 ( 8.046 0.000 7.553) 11.036 4.848 ( 1.522 0.000 2.735) 3.130 4.849 ( 2.030 0.000 2.744) 3.413 5.091 ( -9.862 0.000 2.050) 10.073 5.121 ( -14.276 0.000 1.527) 14.358 5.838 ( 10.951 -0.000 -7.451) 13.245 5.887 ( 10.408 -0.000 -8.321) 13.325 6.322 ( 3.397 -0.000 -2.975) 4.516 6.463 ( -2.149 0.000 0.055) 2.150 7.059 ( -1.650 -0.000 -7.901) 8.072 7.117 ( -5.477 -0.000 -5.540) 7.790 7.418 ( 3.106 -0.000 -1.968) 3.677 7.480 ( -0.034 0.000 0.128) 0.132 12.859 ( 0.577 0.000 0.166) 0.600 12.861 ( 0.442 0.000 0.300) 0.534 13.618 ( 1.586 -0.000 -1.035) 1.893 13.659 ( -0.994 0.000 0.667) 1.197 17.426 ( 0.166 -0.000 -0.854) 0.870 17.463 ( -2.063 0.000 0.710) 2.182 17.790 ( -0.189 -0.000 -1.885) 1.894 17.793 ( -0.349 -0.000 -1.578) 1.616 18.608 ( 1.065 0.000 0.651) 1.248 18.622 ( 0.136 0.000 1.443) 1.449 28.204 ( 0.485 -0.000 -0.178) 0.516 28.225 ( -0.646 0.000 0.692) 0.947 31.711 ( -1.006 -0.000 -5.060) 5.159 31.714 ( -0.721 -0.000 -4.583) 4.639 32.290 ( 9.663 -0.000 -1.563) 9.789 32.472 ( 0.097 0.000 7.487) 7.488 33.672 ( 0.273 -0.000 -1.463) 1.488 33.711 ( -3.505 -0.000 -0.915) 3.622 ======================= Grid point 666 (209/216) ======================= q-point: ( 0.64 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.000 16.878 7.951) 18.657 2.450 ( 0.000 12.521 16.159) 20.442 2.626 ( 0.000 -12.381 -2.241) 12.582 2.677 ( -0.000 -10.865 3.466) 11.405 3.478 ( 0.000 -0.898 15.723) 15.749 3.532 ( 0.000 -7.015 17.469) 18.825 3.543 ( 0.000 10.833 1.073) 10.886 3.689 ( 0.000 -4.090 5.279) 6.678 4.092 ( 0.000 1.694 0.147) 1.700 4.127 ( -0.000 -0.700 -1.817) 1.947 4.670 ( 0.000 17.279 5.852) 18.243 4.848 ( -0.000 5.953 2.210) 6.350 4.919 ( 0.000 -3.945 1.328) 4.163 4.970 ( 0.000 2.215 8.570) 8.852 4.972 ( -0.000 -5.138 6.855) 8.567 5.051 ( 0.000 -6.621 1.108) 6.713 5.700 ( 0.000 16.362 -7.495) 17.997 6.027 ( 0.000 -14.948 -15.282) 21.377 6.390 ( 0.000 0.927 0.578) 1.092 6.405 ( 0.000 -1.190 0.025) 1.191 6.985 ( 0.000 2.290 -7.731) 8.063 7.015 ( 0.000 -0.974 -9.337) 9.387 7.400 ( 0.000 4.356 -4.639) 6.364 7.515 ( 0.000 -8.189 0.033) 8.189 12.848 ( -0.000 1.975 0.541) 2.048 12.885 ( -0.000 -2.017 0.203) 2.027 13.599 ( -0.000 4.309 0.074) 4.310 13.680 ( -0.000 -4.458 -0.495) 4.485 17.420 ( 0.000 1.607 -0.472) 1.675 17.459 ( 0.000 -2.503 1.044) 2.712 17.727 ( 0.000 4.905 -2.409) 5.465 17.821 ( 0.000 -4.895 -2.127) 5.337 18.626 ( 0.000 0.255 1.153) 1.181 18.628 ( 0.000 0.028 0.951) 0.952 28.208 ( -0.000 0.749 0.381) 0.840 28.223 ( -0.000 -0.830 0.208) 0.856 31.591 ( -0.000 7.103 -4.721) 8.529 31.753 ( -0.000 -10.186 -6.735) 12.211 32.366 ( -0.000 8.667 3.080) 9.198 32.501 ( -0.000 -5.805 2.403) 6.283 33.544 ( -0.000 13.920 0.305) 13.923 33.795 ( -0.000 -12.769 -2.119) 12.944 ======================= Grid point 667 (210/216) ======================= q-point: ( 0.73 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 5.117 -0.000 -7.205) 8.838 2.602 ( 0.639 0.000 15.074) 15.088 2.641 ( 0.420 0.000 13.611) 13.618 2.697 ( -9.402 0.000 0.284) 9.406 3.467 ( 5.007 0.000 13.914) 14.787 3.651 ( 3.477 0.000 6.560) 7.425 3.678 ( -5.018 0.000 1.097) 5.137 3.737 ( -0.054 0.000 13.411) 13.411 3.928 ( 3.978 0.000 5.429) 6.731 4.344 ( -12.534 0.000 0.800) 12.559 4.711 ( 8.126 0.000 4.209) 9.152 4.872 ( 3.102 0.000 7.486) 8.103 4.892 ( 0.493 0.000 2.307) 2.359 4.915 ( 6.527 0.000 7.385) 9.856 5.142 ( -14.582 0.000 1.271) 14.638 5.158 ( -4.849 0.000 6.798) 8.350 5.731 ( 6.476 -0.000 -12.057) 13.686 5.734 ( 4.343 -0.000 -5.420) 6.945 6.293 ( 7.814 -0.000 -1.233) 7.910 6.448 ( 0.182 -0.000 -1.857) 1.865 6.915 ( -0.261 -0.000 -11.323) 11.326 7.005 ( -6.370 -0.000 -9.407) 11.361 7.374 ( 3.389 -0.000 -4.230) 5.420 7.461 ( -1.346 -0.000 -2.793) 3.101 12.862 ( 0.788 0.000 0.243) 0.825 12.866 ( 0.482 0.000 0.487) 0.685 13.604 ( 2.232 -0.000 -0.751) 2.355 13.668 ( -1.789 0.000 0.597) 1.886 17.419 ( 0.803 -0.000 0.074) 0.806 17.478 ( -2.721 0.000 1.332) 3.030 17.753 ( -0.131 -0.000 -3.013) 3.016 17.763 ( -0.676 -0.000 -2.387) 2.481 18.616 ( 1.539 -0.000 0.343) 1.576 18.644 ( -0.204 0.000 1.353) 1.368 28.203 ( 0.782 -0.000 -0.016) 0.782 28.235 ( -0.989 0.000 0.686) 1.203 31.624 ( -1.134 -0.000 -6.321) 6.422 31.636 ( -1.411 -0.000 -5.671) 5.844 32.274 ( 12.427 -0.000 -0.704) 12.447 32.597 ( -5.249 0.000 9.147) 10.546 33.652 ( 1.442 -0.000 -1.208) 1.881 33.682 ( -2.444 -0.000 -3.068) 3.923 ======================= Grid point 679 (211/216) ======================= q-point: ( 0.73 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 0.000 9.089 5.396) 10.570 2.531 ( 0.000 -0.935 -1.772) 2.004 2.734 ( -0.000 -1.272 5.046) 5.204 2.756 ( 0.000 -2.073 15.446) 15.584 3.496 ( 0.000 8.587 -3.770) 9.378 3.602 ( 0.000 -3.882 0.762) 3.956 3.865 ( 0.000 -1.600 22.516) 22.573 3.912 ( 0.000 -1.980 23.207) 23.292 4.094 ( -0.000 -1.513 0.739) 1.684 4.113 ( -0.000 -0.503 0.745) 0.899 4.758 ( 0.000 14.846 6.284) 16.121 4.856 ( -0.000 6.542 -1.012) 6.619 4.938 ( 0.000 -0.719 1.256) 1.447 5.020 ( -0.000 -7.606 -0.103) 7.607 5.138 ( 0.000 -0.652 9.203) 9.226 5.143 ( 0.000 2.683 13.777) 14.036 5.594 ( 0.000 7.514 -6.305) 9.809 5.813 ( 0.000 -11.612 -12.672) 17.188 6.396 ( 0.000 0.903 0.198) 0.924 6.402 ( 0.000 0.135 -0.261) 0.294 6.849 ( 0.000 0.804 -10.507) 10.538 6.850 ( 0.000 0.537 -12.604) 12.615 7.316 ( 0.000 7.125 -6.517) 9.656 7.480 ( 0.000 -10.494 -4.888) 11.576 12.858 ( -0.000 1.619 0.771) 1.793 12.888 ( -0.000 -1.632 0.175) 1.641 13.604 ( -0.000 3.647 0.570) 3.691 13.672 ( -0.000 -3.725 -0.626) 3.777 17.420 ( 0.000 2.671 0.613) 2.741 17.481 ( 0.000 -3.676 1.922) 4.148 17.686 ( 0.000 4.751 -3.079) 5.661 17.783 ( 0.000 -5.287 -3.006) 6.082 18.639 ( 0.000 0.204 0.508) 0.548 18.640 ( 0.000 0.191 0.631) 0.659 28.215 ( -0.000 0.584 0.447) 0.735 28.227 ( -0.000 -0.662 0.195) 0.690 31.519 ( -0.000 4.718 -4.655) 6.628 31.646 ( -0.000 -8.783 -7.432) 11.506 32.420 ( -0.000 8.280 4.160) 9.267 32.538 ( -0.000 -4.168 2.417) 4.818 33.550 ( -0.000 11.022 0.550) 11.036 33.755 ( -0.000 -10.578 -3.314) 11.085 ======================= Grid point 680 (212/216) ======================= q-point: ( 0.82 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 10.961 -0.000 -5.642) 12.328 2.701 ( -9.318 0.000 0.295) 9.323 2.812 ( -0.465 0.000 12.827) 12.835 2.834 ( 0.214 0.000 12.395) 12.397 3.489 ( 0.647 -0.000 -4.815) 4.859 3.658 ( -9.530 -0.000 -2.349) 9.815 3.809 ( 14.327 -0.000 0.224) 14.328 3.951 ( 9.280 0.000 26.758) 28.322 4.173 ( -4.341 0.000 21.636) 22.067 4.347 ( -12.332 0.000 -0.052) 12.332 4.760 ( 6.763 0.000 2.428) 7.185 4.904 ( -1.182 -0.000 -0.688) 1.368 4.958 ( -4.480 0.000 4.676) 6.476 5.062 ( 10.660 0.000 10.541) 14.991 5.161 ( -11.792 0.000 1.770) 11.924 5.235 ( 3.603 0.000 1.373) 3.856 5.554 ( 5.272 -0.000 -11.030) 12.225 5.725 ( -6.437 0.000 5.371) 8.383 6.280 ( 10.366 -0.000 -0.614) 10.384 6.413 ( 3.370 -0.000 -2.636) 4.278 6.734 ( 0.587 -0.000 -12.754) 12.767 6.849 ( -7.345 -0.000 -11.258) 13.442 7.293 ( 2.927 -0.000 -6.425) 7.061 7.400 ( -3.233 -0.000 -5.072) 6.014 12.866 ( 1.033 0.000 0.250) 1.063 12.874 ( 0.510 0.000 0.528) 0.734 13.596 ( 2.713 -0.000 -0.369) 2.738 13.676 ( -2.382 0.000 0.537) 2.442 17.430 ( 1.362 0.000 1.413) 1.962 17.504 ( -3.156 0.000 2.228) 3.864 17.703 ( -0.008 -0.000 -3.722) 3.722 17.724 ( -1.166 -0.000 -2.902) 3.127 18.617 ( 2.023 -0.000 -0.223) 2.035 18.660 ( -0.622 0.000 0.796) 1.010 28.203 ( 1.005 -0.000 0.063) 1.007 28.244 ( -1.252 0.000 0.548) 1.366 31.534 ( -1.413 -0.000 -5.513) 5.692 31.555 ( -2.449 -0.000 -5.041) 5.604 32.268 ( 15.282 -0.000 -0.106) 15.283 32.735 ( -11.520 0.000 9.209) 14.748 33.623 ( 0.580 -0.000 -4.674) 4.710 33.636 ( 1.890 -0.000 -0.912) 2.098 ======================= Grid point 692 (213/216) ======================= q-point: ( 0.82 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 0.000 -0.454 1.187) 1.271 2.506 ( 0.000 -2.856 -1.225) 3.108 2.836 ( 0.000 9.245 8.404) 12.494 2.953 ( 0.000 -1.044 10.191) 10.245 3.440 ( 0.000 6.932 -3.144) 7.612 3.572 ( 0.000 -6.720 -3.969) 7.804 4.052 ( -0.000 4.157 1.906) 4.573 4.069 ( -0.000 4.088 -0.016) 4.088 4.265 ( 0.000 -1.970 19.405) 19.505 4.312 ( 0.000 -7.553 25.099) 26.211 4.814 ( 0.000 10.590 -4.823) 11.636 4.860 ( 0.000 9.921 7.055) 12.174 4.956 ( 0.000 0.017 1.272) 1.272 5.005 ( -0.000 -7.716 -1.839) 7.932 5.231 ( 0.000 3.325 1.668) 3.720 5.332 ( 0.000 -2.351 8.778) 9.088 5.538 ( 0.000 4.436 0.549) 4.470 5.696 ( 0.000 -8.519 -2.035) 8.759 6.396 ( 0.000 0.796 -0.170) 0.814 6.398 ( 0.000 0.552 -0.289) 0.623 6.659 ( 0.000 2.062 -12.458) 12.628 6.686 ( 0.000 -0.663 -11.051) 11.071 7.224 ( -0.000 6.942 -5.101) 8.615 7.378 ( -0.000 -9.417 -8.370) 12.600 12.870 ( 0.000 1.054 0.808) 1.328 12.889 ( -0.000 -1.070 -0.005) 1.070 13.615 ( -0.000 2.442 1.014) 2.644 13.662 ( -0.000 -2.518 -0.795) 2.640 17.439 ( 0.000 3.592 2.034) 4.128 17.512 ( 0.000 -3.287 1.823) 3.758 17.642 ( 0.000 3.236 -2.425) 4.043 17.733 ( 0.000 -5.578 -3.630) 6.656 18.643 ( 0.000 0.304 0.051) 0.308 18.644 ( 0.000 0.204 0.058) 0.212 28.221 ( -0.000 0.363 0.403) 0.542 28.229 ( -0.000 -0.437 0.088) 0.446 31.462 ( -0.000 1.829 -2.775) 3.324 31.544 ( -0.000 -6.792 -6.178) 9.181 32.483 ( -0.000 7.097 4.219) 8.256 32.566 ( -0.000 -1.495 1.190) 1.911 33.563 ( -0.000 6.819 1.363) 6.954 33.700 ( -0.000 -7.423 -4.004) 8.434 ======================= Grid point 693 (214/216) ======================= q-point: ( 0.91 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 14.577 -0.000 -2.999) 14.883 2.705 ( -8.915 0.000 0.172) 8.917 2.968 ( -1.393 0.000 7.764) 7.888 3.002 ( -0.331 0.000 9.884) 9.890 3.399 ( 2.448 -0.000 -6.679) 7.113 3.621 ( -11.451 0.000 -2.358) 11.692 3.806 ( 14.716 -0.000 -0.294) 14.719 4.295 ( -1.226 0.000 9.746) 9.823 4.390 ( -3.051 0.000 14.624) 14.939 4.470 ( -0.896 0.000 17.129) 17.152 4.778 ( 7.449 -0.000 -0.820) 7.494 4.869 ( -2.478 -0.000 -4.006) 4.711 4.988 ( -7.382 0.000 -1.621) 7.558 5.143 ( -11.416 0.000 1.525) 11.518 5.205 ( 7.669 -0.000 -3.531) 8.443 5.252 ( 9.577 0.000 8.731) 12.960 5.429 ( 8.188 -0.000 -5.395) 9.805 5.852 ( -10.892 0.000 8.851) 14.035 6.273 ( 11.802 -0.000 -0.324) 11.807 6.386 ( 4.245 -0.000 -0.162) 4.248 6.560 ( 0.446 -0.000 -9.743) 9.754 6.687 ( -7.530 -0.000 -10.174) 12.657 7.200 ( 2.153 -0.000 -5.374) 5.789 7.326 ( -5.250 -0.000 -4.279) 6.773 12.869 ( 1.229 -0.000 0.159) 1.240 12.881 ( 0.520 0.000 0.345) 0.624 13.593 ( 3.012 -0.000 -0.107) 3.014 13.683 ( -2.733 0.000 0.340) 2.755 17.458 ( 1.866 0.000 2.097) 2.807 17.541 ( -3.275 0.000 2.522) 4.134 17.649 ( 0.024 -0.000 -3.323) 3.323 17.680 ( -1.730 -0.000 -2.763) 3.260 18.611 ( 2.403 -0.000 -0.379) 2.433 18.667 ( -0.991 0.000 0.286) 1.032 28.204 ( 1.144 -0.000 0.058) 1.145 28.251 ( -1.414 0.000 0.304) 1.446 31.469 ( -1.692 -0.000 -3.159) 3.584 31.494 ( -3.277 -0.000 -2.939) 4.402 32.269 ( 17.425 -0.000 0.106) 17.426 32.855 ( -18.243 0.000 6.505) 19.368 33.554 ( 5.314 -0.000 -4.112) 6.719 33.625 ( 1.889 -0.000 -0.516) 1.958 ======================= Grid point 695 (215/216) ======================= q-point: ( 1.00 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 15.825 -0.000 0.000) 15.825 2.706 ( -8.776 0.000 -0.000) 8.776 3.028 ( -1.479 0.000 -0.000) 1.479 3.091 ( -1.601 0.000 -0.000) 1.601 3.332 ( 4.214 -0.000 0.000) 4.214 3.601 ( -12.415 0.000 -0.000) 12.415 3.804 ( 14.668 -0.000 0.000) 14.668 4.322 ( -10.380 0.000 -0.000) 10.380 4.619 ( 1.946 -0.000 0.000) 1.946 4.650 ( 9.426 -0.000 0.000) 9.426 4.678 ( 1.635 -0.000 0.000) 1.635 4.835 ( -1.048 0.000 -0.000) 1.048 4.949 ( -9.060 0.000 -0.000) 9.060 5.156 ( -13.118 0.000 -0.000) 13.118 5.174 ( 8.376 -0.000 0.000) 8.376 5.328 ( 0.466 -0.000 0.000) 0.466 5.391 ( 19.646 -0.000 0.000) 19.646 5.923 ( -9.183 0.000 -0.000) 9.183 6.271 ( 12.340 -0.000 0.000) 12.340 6.402 ( 0.849 -0.000 0.000) 0.849 6.481 ( -0.048 0.000 -0.000) 0.048 6.591 ( -5.868 0.000 -0.000) 5.868 7.157 ( 1.713 -0.000 0.000) 1.713 7.292 ( -6.193 0.000 -0.000) 6.193 12.870 ( 1.304 -0.000 0.000) 1.304 12.884 ( 0.521 -0.000 0.000) 0.521 13.592 ( 3.113 -0.000 0.000) 3.113 13.686 ( -2.848 0.000 -0.000) 2.848 17.478 ( 2.210 -0.000 0.000) 2.210 17.565 ( -3.225 0.000 -0.000) 3.225 17.620 ( -0.113 0.000 -0.000) 0.113 17.655 ( -2.037 0.000 -0.000) 2.037 18.608 ( 2.551 -0.000 0.000) 2.551 18.669 ( -1.141 0.000 -0.000) 1.141 28.205 ( 1.191 -0.000 0.000) 1.191 28.253 ( -1.468 0.000 -0.000) 1.468 31.445 ( -1.806 0.000 -0.000) 1.806 31.472 ( -3.582 0.000 -0.000) 3.582 32.270 ( 18.217 -0.000 0.000) 18.217 32.907 ( -21.950 0.000 -0.000) 21.950 33.520 ( 8.353 -0.000 0.000) 8.353 33.621 ( 1.830 -0.000 0.000) 1.830 ======================= Grid point 708 (216/216) ======================= q-point: ( 0.91 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 0.000 -3.418 -0.227) 3.426 2.496 ( 0.000 -3.369 -0.113) 3.371 2.960 ( 0.000 11.044 7.582) 13.396 3.029 ( -0.000 5.599 -0.449) 5.617 3.430 ( 0.000 -0.631 2.491) 2.570 3.498 ( 0.000 -6.384 -5.591) 8.486 4.059 ( -0.000 3.232 0.147) 3.235 4.063 ( -0.000 3.005 -0.414) 3.033 4.525 ( 0.000 5.193 14.552) 15.451 4.639 ( 0.000 -6.357 13.039) 14.506 4.727 ( 0.000 12.343 -1.900) 12.488 4.892 ( 0.000 1.653 -7.658) 7.834 4.974 ( 0.000 -2.021 0.943) 2.230 4.978 ( 0.000 -8.432 0.095) 8.433 5.242 ( 0.000 4.806 3.736) 6.087 5.334 ( 0.000 -4.138 -5.912) 7.216 5.637 ( 0.000 4.245 8.772) 9.745 5.707 ( 0.000 -2.726 -0.061) 2.726 6.394 ( 0.000 0.824 -0.047) 0.825 6.395 ( 0.000 0.683 -0.147) 0.699 6.521 ( -0.000 1.849 -4.608) 4.965 6.545 ( 0.000 -0.518 -6.941) 6.961 7.190 ( 0.000 2.104 1.040) 2.347 7.255 ( -0.000 -4.813 -7.259) 8.709 12.880 ( 0.000 0.354 0.622) 0.716 12.887 ( -0.000 -0.383 -0.307) 0.490 13.632 ( -0.000 0.828 1.157) 1.423 13.648 ( -0.000 -0.924 -1.021) 1.377 17.477 ( 0.000 3.848 2.924) 4.833 17.516 ( -0.000 1.645 -1.668) 2.343 17.634 ( 0.000 -2.499 1.705) 3.025 17.678 ( 0.000 -5.286 -3.669) 6.435 18.643 ( 0.000 0.314 -0.028) 0.315 18.643 ( 0.000 0.264 -0.095) 0.280 28.226 ( -0.000 0.102 0.267) 0.286 28.229 ( -0.000 -0.174 -0.084) 0.193 31.443 ( -0.000 -1.263 0.244) 1.287 31.471 ( 0.000 -4.231 -3.521) 5.505 32.539 ( -0.000 4.910 3.047) 5.779 32.569 ( -0.000 1.822 -0.949) 2.055 33.593 ( -0.000 1.751 2.672) 3.194 33.641 ( -0.000 -3.246 -3.770) 4.975 =================== 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 3/55902 10.0 955.567 949.399 1502.216 0.000 0.000 -0.000 3/55902 20.0 161.136 153.805 213.954 0.000 0.000 -0.000 3/55902 30.0 45.482 47.089 64.795 0.000 0.000 -0.000 3/55902 40.0 21.229 22.707 31.121 0.000 0.000 -0.000 3/55902 50.0 13.052 14.062 19.234 0.000 0.000 -0.000 3/55902 60.0 9.366 10.037 13.733 0.000 0.000 -0.000 3/55902 70.0 7.355 7.797 10.696 0.000 0.000 -0.000 3/55902 80.0 6.103 6.391 8.801 0.000 0.000 -0.000 3/55902 90.0 5.247 5.431 7.511 0.000 0.000 -0.000 3/55902 100.0 4.621 4.733 6.575 0.000 0.000 -0.000 3/55902 110.0 4.141 4.202 5.861 0.000 0.000 -0.000 3/55902 120.0 3.758 3.784 5.296 0.000 0.000 -0.000 3/55902 130.0 3.444 3.445 4.837 0.000 0.000 -0.000 3/55902 140.0 3.181 3.166 4.456 0.000 0.000 -0.000 3/55902 150.0 2.958 2.931 4.133 0.000 0.000 -0.000 3/55902 160.0 2.765 2.730 3.856 0.000 0.000 -0.000 3/55902 170.0 2.597 2.558 3.615 0.000 0.000 -0.000 3/55902 180.0 2.450 2.408 3.404 0.000 0.000 -0.000 3/55902 190.0 2.319 2.277 3.218 0.000 0.000 -0.000 3/55902 200.0 2.203 2.161 3.052 0.000 0.000 -0.000 3/55902 210.0 2.098 2.059 2.903 0.000 0.000 -0.000 3/55902 220.0 2.004 1.967 2.769 0.000 0.000 -0.000 3/55902 230.0 1.919 1.886 2.647 0.000 0.000 -0.000 3/55902 240.0 1.841 1.813 2.537 0.000 0.000 -0.000 3/55902 250.0 1.771 1.747 2.436 0.000 0.000 -0.000 3/55902 260.0 1.706 1.687 2.344 0.000 0.000 -0.000 3/55902 270.0 1.647 1.633 2.259 0.000 0.000 -0.000 3/55902 280.0 1.592 1.584 2.181 0.000 0.000 -0.000 3/55902 290.0 1.542 1.539 2.108 0.000 0.000 -0.000 3/55902 300.0 1.495 1.497 2.041 0.000 0.000 -0.000 3/55902 310.0 1.451 1.459 1.978 0.000 0.000 -0.000 3/55902 320.0 1.410 1.424 1.920 0.000 0.000 -0.000 3/55902 330.0 1.372 1.392 1.865 0.000 0.000 -0.000 3/55902 340.0 1.337 1.361 1.814 0.000 0.000 -0.000 3/55902 350.0 1.303 1.333 1.765 0.000 0.000 -0.000 3/55902 360.0 1.272 1.306 1.720 0.000 0.000 -0.000 3/55902 370.0 1.242 1.281 1.677 0.000 0.000 -0.000 3/55902 380.0 1.214 1.258 1.636 0.000 0.000 -0.000 3/55902 390.0 1.187 1.236 1.598 0.000 0.000 -0.000 3/55902 400.0 1.162 1.215 1.561 0.000 0.000 -0.000 3/55902 410.0 1.138 1.195 1.527 0.000 0.000 -0.000 3/55902 420.0 1.115 1.175 1.494 0.000 0.000 -0.000 3/55902 430.0 1.093 1.157 1.462 0.000 0.000 -0.000 3/55902 440.0 1.072 1.140 1.432 0.000 0.000 -0.000 3/55902 450.0 1.052 1.123 1.403 0.000 0.000 -0.000 3/55902 460.0 1.033 1.107 1.376 0.000 0.000 -0.000 3/55902 470.0 1.015 1.091 1.349 0.000 0.000 -0.000 3/55902 480.0 0.997 1.076 1.324 0.000 0.000 -0.000 3/55902 490.0 0.980 1.062 1.300 0.000 0.000 -0.000 3/55902 500.0 0.964 1.048 1.276 0.000 0.000 -0.000 3/55902 510.0 0.948 1.034 1.254 0.000 0.000 -0.000 3/55902 520.0 0.933 1.021 1.232 0.000 0.000 -0.000 3/55902 530.0 0.918 1.008 1.211 0.000 0.000 -0.000 3/55902 540.0 0.904 0.996 1.191 0.000 0.000 -0.000 3/55902 550.0 0.890 0.984 1.172 0.000 0.000 -0.000 3/55902 560.0 0.877 0.972 1.153 0.000 0.000 -0.000 3/55902 570.0 0.864 0.960 1.135 0.000 0.000 -0.000 3/55902 580.0 0.851 0.949 1.117 0.000 0.000 -0.000 3/55902 590.0 0.839 0.938 1.100 0.000 0.000 -0.000 3/55902 600.0 0.828 0.928 1.084 0.000 0.000 -0.000 3/55902 610.0 0.816 0.917 1.068 0.000 0.000 -0.000 3/55902 620.0 0.805 0.907 1.052 0.000 0.000 -0.000 3/55902 630.0 0.794 0.897 1.037 0.000 0.000 -0.000 3/55902 640.0 0.784 0.887 1.022 0.000 0.000 -0.000 3/55902 650.0 0.774 0.878 1.008 0.000 0.000 -0.000 3/55902 660.0 0.764 0.868 0.994 0.000 0.000 -0.000 3/55902 670.0 0.754 0.859 0.981 0.000 0.000 -0.000 3/55902 680.0 0.745 0.850 0.968 0.000 0.000 -0.000 3/55902 690.0 0.735 0.841 0.955 0.000 0.000 -0.000 3/55902 700.0 0.726 0.833 0.943 0.000 0.000 -0.000 3/55902 710.0 0.718 0.824 0.931 0.000 0.000 -0.000 3/55902 720.0 0.709 0.816 0.919 0.000 0.000 -0.000 3/55902 730.0 0.701 0.808 0.907 0.000 0.000 -0.000 3/55902 740.0 0.693 0.800 0.896 0.000 0.000 -0.000 3/55902 750.0 0.685 0.792 0.885 0.000 0.000 -0.000 3/55902 760.0 0.677 0.784 0.875 0.000 0.000 -0.000 3/55902 770.0 0.669 0.777 0.864 0.000 0.000 -0.000 3/55902 780.0 0.662 0.769 0.854 0.000 0.000 -0.000 3/55902 790.0 0.655 0.762 0.844 0.000 0.000 -0.000 3/55902 800.0 0.647 0.755 0.835 0.000 0.000 -0.000 3/55902 810.0 0.641 0.748 0.825 0.000 0.000 -0.000 3/55902 820.0 0.634 0.741 0.816 0.000 0.000 -0.000 3/55902 830.0 0.627 0.734 0.807 0.000 0.000 -0.000 3/55902 840.0 0.620 0.727 0.798 0.000 0.000 -0.000 3/55902 850.0 0.614 0.721 0.789 0.000 0.000 -0.000 3/55902 860.0 0.608 0.714 0.781 0.000 0.000 -0.000 3/55902 870.0 0.602 0.708 0.773 0.000 0.000 -0.000 3/55902 880.0 0.596 0.702 0.764 0.000 0.000 -0.000 3/55902 890.0 0.590 0.695 0.757 0.000 0.000 -0.000 3/55902 900.0 0.584 0.689 0.749 0.000 0.000 -0.000 3/55902 910.0 0.578 0.683 0.741 0.000 0.000 -0.000 3/55902 920.0 0.573 0.678 0.734 0.000 0.000 -0.000 3/55902 930.0 0.567 0.672 0.726 0.000 0.000 -0.000 3/55902 940.0 0.562 0.666 0.719 0.000 0.000 -0.000 3/55902 950.0 0.557 0.660 0.712 0.000 0.000 -0.000 3/55902 960.0 0.551 0.655 0.705 0.000 0.000 -0.000 3/55902 970.0 0.546 0.650 0.698 0.000 0.000 -0.000 3/55902 980.0 0.541 0.644 0.692 0.000 0.000 -0.000 3/55902 990.0 0.536 0.639 0.685 0.000 0.000 -0.000 3/55902 1000.0 0.532 0.634 0.679 0.000 0.000 -0.000 3/55902 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:28:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|