----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:09:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.215159460000000 -2.914100879999999 0.000000000000000 b 7.215159460000000 2.914100879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.828969270000000 Atomic positions (fractional): *1 Ba 0.85922966149035 0.85922966149035 0.50000000000000 137.327 2 Ba 0.35922966149035 0.35922966149035 0.00000000000000 137.327 3 Ba 0.14077033850965 0.14077033850965 0.50000000000000 137.327 4 Ba 0.64077033850965 0.64077033850965 0.00000000000000 137.327 *5 H 0.49991026423904 0.00008973576097 0.75000000000000 1.008 6 H 0.00008973576097 0.49991026423903 0.25000000000000 1.008 7 H 0.50008973576097 0.99991026423903 0.25000000000000 1.008 8 H 0.99991026423903 0.50008973576097 0.75000000000000 1.008 *9 H 0.61539200365472 0.61539200365472 0.50000000000000 1.008 10 H 0.11539200365472 0.11539200365472 0.00000000000000 1.008 11 H 0.38460799634528 0.38460799634528 0.50000000000000 1.008 12 H 0.88460799634528 0.88460799634528 0.00000000000000 1.008 *13 H 0.29458642913129 0.70541357086871 0.70534346652654 1.008 14 H 0.70541357086871 0.29458642913129 0.29465653347346 1.008 15 H 0.20541357086871 0.79458642913129 0.20534346652654 1.008 16 H 0.79458642913129 0.20541357086871 0.79465653347346 1.008 *17 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 18 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.430318919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.828201759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.828969270000000 Atomic positions (fractional): *1 Ba 0.85922966149035 0.00000000000000 0.50000000000000 137.327 > 1 2 Ba 0.85922966149035 0.50000000000000 0.00000000000000 137.327 > 2 3 Ba 0.64077033850965 0.50000000000000 0.50000000000000 137.327 > 3 4 Ba 0.64077033850965 0.00000000000000 0.00000000000000 137.327 > 4 5 Ba 0.35922966149035 0.50000000000000 0.50000000000000 137.327 > 1 6 Ba 0.35922966149035 0.00000000000000 0.00000000000000 137.327 > 2 7 Ba 0.14077033850965 0.00000000000000 0.50000000000000 137.327 > 3 8 Ba 0.14077033850965 0.50000000000000 0.00000000000000 137.327 > 4 *9 H 0.75000000000000 0.25008973576096 0.75000000000000 1.008 > 5 10 H 0.75000000000000 0.74991026423903 0.25000000000000 1.008 > 6 11 H 0.75000000000000 0.24991026423904 0.25000000000000 1.008 > 7 12 H 0.75000000000000 0.75008973576097 0.75000000000000 1.008 > 8 *13 H 0.61539200365472 0.00000000000000 0.50000000000000 1.008 > 9 14 H 0.61539200365472 0.50000000000000 0.00000000000000 1.008 > 10 15 H 0.88460799634528 0.50000000000000 0.50000000000000 1.008 > 11 16 H 0.88460799634528 0.00000000000000 0.00000000000000 1.008 > 12 *17 H 0.00000000000000 0.70541357086871 0.70534346652654 1.008 > 13 18 H 0.00000000000000 0.29458642913129 0.29465653347346 1.008 > 14 19 H 0.00000000000000 0.79458642913129 0.20534346652654 1.008 > 15 20 H 0.00000000000000 0.20541357086871 0.79465653347346 1.008 > 16 21 H 0.25000000000000 0.75008973576097 0.75000000000000 1.008 > 5 22 H 0.25000000000000 0.24991026423904 0.25000000000000 1.008 > 6 23 H 0.25000000000000 0.74991026423903 0.25000000000000 1.008 > 7 24 H 0.25000000000000 0.25008973576096 0.75000000000000 1.008 > 8 25 H 0.11539200365472 0.50000000000000 0.50000000000000 1.008 > 9 26 H 0.11539200365472 0.00000000000000 0.00000000000000 1.008 > 10 27 H 0.38460799634528 0.00000000000000 0.50000000000000 1.008 > 11 28 H 0.38460799634528 0.50000000000000 0.00000000000000 1.008 > 12 29 H 0.50000000000000 0.20541357086871 0.70534346652654 1.008 > 13 30 H 0.50000000000000 0.79458642913129 0.29465653347346 1.008 > 14 31 H 0.50000000000000 0.29458642913129 0.20534346652654 1.008 > 15 32 H 0.50000000000000 0.70541357086871 0.79465653347346 1.008 > 16 *33 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 17 34 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 18 35 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 17 36 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.430318919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.656403519999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.657938540000000 Atomic positions (fractional): *1 Ba 0.85922966149035 0.00000000000000 0.25000000000000 137.327 > 1 2 Ba 0.85922966149035 0.50000000000000 0.25000000000000 137.327 > 1 3 Ba 0.85922966149035 0.00000000000000 0.75000000000000 137.327 > 1 4 Ba 0.85922966149035 0.50000000000000 0.75000000000000 137.327 > 1 5 Ba 0.85922966149035 0.25000000000000 0.00000000000000 137.327 > 2 6 Ba 0.85922966149035 0.75000000000000 0.00000000000000 137.327 > 2 7 Ba 0.85922966149035 0.25000000000000 0.50000000000000 137.327 > 2 8 Ba 0.85922966149035 0.75000000000000 0.50000000000000 137.327 > 2 9 Ba 0.64077033850965 0.25000000000000 0.25000000000000 137.327 > 3 10 Ba 0.64077033850965 0.75000000000000 0.25000000000000 137.327 > 3 11 Ba 0.64077033850965 0.25000000000000 0.75000000000000 137.327 > 3 12 Ba 0.64077033850965 0.75000000000000 0.75000000000000 137.327 > 3 13 Ba 0.64077033850965 0.00000000000000 0.00000000000000 137.327 > 4 14 Ba 0.64077033850965 0.50000000000000 0.00000000000000 137.327 > 4 15 Ba 0.64077033850965 0.00000000000000 0.50000000000000 137.327 > 4 16 Ba 0.64077033850965 0.50000000000000 0.50000000000000 137.327 > 4 17 Ba 0.35922966149035 0.25000000000000 0.25000000000000 137.327 > 1 18 Ba 0.35922966149035 0.75000000000000 0.25000000000000 137.327 > 1 19 Ba 0.35922966149035 0.25000000000000 0.75000000000000 137.327 > 1 20 Ba 0.35922966149035 0.75000000000000 0.75000000000000 137.327 > 1 21 Ba 0.35922966149035 0.00000000000000 0.00000000000000 137.327 > 2 22 Ba 0.35922966149035 0.50000000000000 0.00000000000000 137.327 > 2 23 Ba 0.35922966149035 0.00000000000000 0.50000000000000 137.327 > 2 24 Ba 0.35922966149035 0.50000000000000 0.50000000000000 137.327 > 2 25 Ba 0.14077033850965 0.00000000000000 0.25000000000000 137.327 > 3 26 Ba 0.14077033850965 0.50000000000000 0.25000000000000 137.327 > 3 27 Ba 0.14077033850965 0.00000000000000 0.75000000000000 137.327 > 3 28 Ba 0.14077033850965 0.50000000000000 0.75000000000000 137.327 > 3 29 Ba 0.14077033850965 0.25000000000000 0.00000000000000 137.327 > 4 30 Ba 0.14077033850965 0.75000000000000 0.00000000000000 137.327 > 4 31 Ba 0.14077033850965 0.25000000000000 0.50000000000000 137.327 > 4 32 Ba 0.14077033850965 0.75000000000000 0.50000000000000 137.327 > 4 *33 H 0.75000000000000 0.12504486788048 0.37500000000000 1.008 > 5 34 H 0.75000000000000 0.62504486788048 0.37500000000000 1.008 > 5 35 H 0.75000000000000 0.12504486788048 0.87500000000000 1.008 > 5 36 H 0.75000000000000 0.62504486788048 0.87500000000000 1.008 > 5 37 H 0.75000000000000 0.37495513211952 0.12500000000000 1.008 > 6 38 H 0.75000000000000 0.87495513211952 0.12500000000000 1.008 > 6 39 H 0.75000000000000 0.37495513211952 0.62500000000000 1.008 > 6 40 H 0.75000000000000 0.87495513211952 0.62500000000000 1.008 > 6 41 H 0.75000000000000 0.12495513211952 0.12500000000000 1.008 > 7 42 H 0.75000000000000 0.62495513211952 0.12500000000000 1.008 > 7 43 H 0.75000000000000 0.12495513211952 0.62500000000000 1.008 > 7 44 H 0.75000000000000 0.62495513211952 0.62500000000000 1.008 > 7 45 H 0.75000000000000 0.37504486788048 0.37500000000000 1.008 > 8 46 H 0.75000000000000 0.87504486788048 0.37500000000000 1.008 > 8 47 H 0.75000000000000 0.37504486788048 0.87500000000000 1.008 > 8 48 H 0.75000000000000 0.87504486788048 0.87500000000000 1.008 > 8 *49 H 0.61539200365472 0.00000000000000 0.25000000000000 1.008 > 9 50 H 0.61539200365472 0.50000000000000 0.25000000000000 1.008 > 9 51 H 0.61539200365472 0.00000000000000 0.75000000000000 1.008 > 9 52 H 0.61539200365472 0.50000000000000 0.75000000000000 1.008 > 9 53 H 0.61539200365472 0.25000000000000 0.00000000000000 1.008 > 10 54 H 0.61539200365472 0.75000000000000 0.00000000000000 1.008 > 10 55 H 0.61539200365472 0.25000000000000 0.50000000000000 1.008 > 10 56 H 0.61539200365472 0.75000000000000 0.50000000000000 1.008 > 10 57 H 0.88460799634528 0.25000000000000 0.25000000000000 1.008 > 11 58 H 0.88460799634528 0.75000000000000 0.25000000000000 1.008 > 11 59 H 0.88460799634528 0.25000000000000 0.75000000000000 1.008 > 11 60 H 0.88460799634528 0.75000000000000 0.75000000000000 1.008 > 11 61 H 0.88460799634528 0.00000000000000 0.00000000000000 1.008 > 12 62 H 0.88460799634528 0.50000000000000 0.00000000000000 1.008 > 12 63 H 0.88460799634528 0.00000000000000 0.50000000000000 1.008 > 12 64 H 0.88460799634528 0.50000000000000 0.50000000000000 1.008 > 12 *65 H 0.00000000000000 0.35270678543436 0.35267173326327 1.008 > 13 66 H 0.00000000000000 0.85270678543436 0.35267173326327 1.008 > 13 67 H 0.00000000000000 0.35270678543436 0.85267173326327 1.008 > 13 68 H 0.00000000000000 0.85270678543436 0.85267173326327 1.008 > 13 69 H 0.00000000000000 0.14729321456565 0.14732826673673 1.008 > 14 70 H 0.00000000000000 0.64729321456565 0.14732826673673 1.008 > 14 71 H 0.00000000000000 0.14729321456565 0.64732826673673 1.008 > 14 72 H 0.00000000000000 0.64729321456565 0.64732826673673 1.008 > 14 73 H 0.00000000000000 0.39729321456564 0.10267173326327 1.008 > 15 74 H 0.00000000000000 0.89729321456564 0.10267173326327 1.008 > 15 75 H 0.00000000000000 0.39729321456564 0.60267173326327 1.008 > 15 76 H 0.00000000000000 0.89729321456564 0.60267173326327 1.008 > 15 77 H 0.00000000000000 0.10270678543436 0.39732826673673 1.008 > 16 78 H 0.00000000000000 0.60270678543435 0.39732826673673 1.008 > 16 79 H 0.00000000000000 0.10270678543436 0.89732826673673 1.008 > 16 80 H 0.00000000000000 0.60270678543435 0.89732826673673 1.008 > 16 81 H 0.25000000000000 0.37504486788048 0.37500000000000 1.008 > 5 82 H 0.25000000000000 0.87504486788048 0.37500000000000 1.008 > 5 83 H 0.25000000000000 0.37504486788048 0.87500000000000 1.008 > 5 84 H 0.25000000000000 0.87504486788048 0.87500000000000 1.008 > 5 85 H 0.25000000000000 0.12495513211952 0.12500000000000 1.008 > 6 86 H 0.25000000000000 0.62495513211952 0.12500000000000 1.008 > 6 87 H 0.25000000000000 0.12495513211952 0.62500000000000 1.008 > 6 88 H 0.25000000000000 0.62495513211952 0.62500000000000 1.008 > 6 89 H 0.25000000000000 0.37495513211952 0.12500000000000 1.008 > 7 90 H 0.25000000000000 0.87495513211952 0.12500000000000 1.008 > 7 91 H 0.25000000000000 0.37495513211952 0.62500000000000 1.008 > 7 92 H 0.25000000000000 0.87495513211952 0.62500000000000 1.008 > 7 93 H 0.25000000000000 0.12504486788048 0.37500000000000 1.008 > 8 94 H 0.25000000000000 0.62504486788048 0.37500000000000 1.008 > 8 95 H 0.25000000000000 0.12504486788048 0.87500000000000 1.008 > 8 96 H 0.25000000000000 0.62504486788048 0.87500000000000 1.008 > 8 97 H 0.11539200365472 0.25000000000000 0.25000000000000 1.008 > 9 98 H 0.11539200365472 0.75000000000000 0.25000000000000 1.008 > 9 99 H 0.11539200365472 0.25000000000000 0.75000000000000 1.008 > 9 100 H 0.11539200365472 0.75000000000000 0.75000000000000 1.008 > 9 101 H 0.11539200365472 0.00000000000000 0.00000000000000 1.008 > 10 102 H 0.11539200365472 0.50000000000000 0.00000000000000 1.008 > 10 103 H 0.11539200365472 0.00000000000000 0.50000000000000 1.008 > 10 104 H 0.11539200365472 0.50000000000000 0.50000000000000 1.008 > 10 105 H 0.38460799634528 0.00000000000000 0.25000000000000 1.008 > 11 106 H 0.38460799634528 0.50000000000000 0.25000000000000 1.008 > 11 107 H 0.38460799634528 0.00000000000000 0.75000000000000 1.008 > 11 108 H 0.38460799634528 0.50000000000000 0.75000000000000 1.008 > 11 109 H 0.38460799634528 0.25000000000000 0.00000000000000 1.008 > 12 110 H 0.38460799634528 0.75000000000000 0.00000000000000 1.008 > 12 111 H 0.38460799634528 0.25000000000000 0.50000000000000 1.008 > 12 112 H 0.38460799634528 0.75000000000000 0.50000000000000 1.008 > 12 113 H 0.50000000000000 0.10270678543436 0.35267173326327 1.008 > 13 114 H 0.50000000000000 0.60270678543435 0.35267173326327 1.008 > 13 115 H 0.50000000000000 0.10270678543436 0.85267173326327 1.008 > 13 116 H 0.50000000000000 0.60270678543435 0.85267173326327 1.008 > 13 117 H 0.50000000000000 0.39729321456564 0.14732826673673 1.008 > 14 118 H 0.50000000000000 0.89729321456564 0.14732826673673 1.008 > 14 119 H 0.50000000000000 0.39729321456564 0.64732826673673 1.008 > 14 120 H 0.50000000000000 0.89729321456564 0.64732826673673 1.008 > 14 121 H 0.50000000000000 0.14729321456565 0.10267173326327 1.008 > 15 122 H 0.50000000000000 0.64729321456565 0.10267173326327 1.008 > 15 123 H 0.50000000000000 0.14729321456565 0.60267173326327 1.008 > 15 124 H 0.50000000000000 0.64729321456565 0.60267173326327 1.008 > 15 125 H 0.50000000000000 0.35270678543436 0.39732826673673 1.008 > 16 126 H 0.50000000000000 0.85270678543436 0.39732826673673 1.008 > 16 127 H 0.50000000000000 0.35270678543436 0.89732826673673 1.008 > 16 128 H 0.50000000000000 0.85270678543436 0.89732826673673 1.008 > 16 *129 Pt 0.00000000000000 0.25000000000000 0.25000000000000 195.084 > 17 130 Pt 0.00000000000000 0.75000000000000 0.25000000000000 195.084 > 17 131 Pt 0.00000000000000 0.25000000000000 0.75000000000000 195.084 > 17 132 Pt 0.00000000000000 0.75000000000000 0.75000000000000 195.084 > 17 133 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 18 134 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 18 135 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 18 136 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 18 137 Pt 0.50000000000000 0.00000000000000 0.25000000000000 195.084 > 17 138 Pt 0.50000000000000 0.50000000000000 0.25000000000000 195.084 > 17 139 Pt 0.50000000000000 0.00000000000000 0.75000000000000 195.084 > 17 140 Pt 0.50000000000000 0.50000000000000 0.75000000000000 195.084 > 17 141 Pt 0.50000000000000 0.25000000000000 0.00000000000000 195.084 > 18 142 Pt 0.50000000000000 0.75000000000000 0.00000000000000 195.084 > 18 143 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 18 144 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5834900 0.0000000 0.0000000 0.0000000 9.2536529 0.0000000 0.0000000 0.0000000 9.6053680 -------------------------- Born effective charges -------------------------- 1 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 0.0592390 0.0000000 -0.1081315 2.3821971 2 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 -0.0592390 0.0000000 0.1081315 2.3821971 3 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 0.0592390 0.0000000 -0.1081315 2.3821971 4 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 -0.0592390 0.0000000 0.1081315 2.3821971 5 H -1.3273015 0.0000000 0.0031389 0.0000000 -0.9916653 0.0000000 0.0424567 0.0000000 -1.0188178 6 H -1.3273015 0.0000000 -0.0031389 0.0000000 -0.9916653 0.0000000 -0.0424567 0.0000000 -1.0188178 7 H -1.3273015 0.0000000 0.0031389 0.0000000 -0.9916653 0.0000000 0.0424567 0.0000000 -1.0188178 8 H -1.3273015 0.0000000 -0.0031389 0.0000000 -0.9916653 0.0000000 -0.0424567 0.0000000 -1.0188178 9 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 0.2895672 0.0000000 0.2965245 0.0059571 10 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 -0.2895672 0.0000000 -0.2965245 0.0059571 11 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 0.2895672 0.0000000 0.2965245 0.0059571 12 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 -0.2895672 0.0000000 -0.2965245 0.0059571 13 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 -0.6591213 0.0000000 -0.6714964 -0.9841188 14 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 -0.6591213 0.0000000 -0.6714964 -0.9841188 15 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 0.6591213 0.0000000 0.6714964 -0.9841188 16 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 0.6591213 0.0000000 0.6714964 -0.9841188 17 Pt -0.6669970 0.0000000 0.0000000 0.0000000 -0.8464723 0.3350471 0.0000000 0.3963832 -0.7704352 18 Pt -0.6669970 0.0000000 0.0000000 0.0000000 -0.8464723 -0.3350471 0.0000000 -0.3963832 -0.7704352 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1605 Number of blocks in projector: 1605 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: 378 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 233 Use standard eigh solver. Tree of FC basis block matrices: - (1605, 1580), data: False |-- (233, 228), data: True |-- (233, 228), data: True |-- (233, 228), data: True |-- (256, 256), data: True |-- (272, 270), data: True |-- (378, 370), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.832 Solver_block: 200 / 320 - Time: 2.875 Solver_block: 300 / 320 - Time: 2.875 Solver_block: 320 / 320 - Time: 0.671 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.296 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1605 Number of blocks in projector: 1605 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: 378 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 233 Use standard eigh solver. Tree of FC basis block matrices: - (1605, 1580), data: False |-- (233, 228), data: True |-- (233, 228), data: True |-- (233, 228), data: True |-- (256, 256), data: True |-- (272, 270), data: True |-- (378, 370), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:09:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:09:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.215159460000000 -2.914100879999999 0.000000000000000 b 7.215159460000000 2.914100879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.828969270000000 Atomic positions (fractional): 1 Ba 0.85922966149035 0.85922966149035 0.50000000000000 137.327 2 Ba 0.35922966149035 0.35922966149035 0.00000000000000 137.327 3 Ba 0.14077033850965 0.14077033850965 0.50000000000000 137.327 4 Ba 0.64077033850965 0.64077033850965 0.00000000000000 137.327 5 H 0.49991026423904 0.00008973576097 0.75000000000000 1.008 6 H 0.00008973576097 0.49991026423903 0.25000000000000 1.008 7 H 0.50008973576097 0.99991026423903 0.25000000000000 1.008 8 H 0.99991026423903 0.50008973576097 0.75000000000000 1.008 9 H 0.61539200365472 0.61539200365472 0.50000000000000 1.008 10 H 0.11539200365472 0.11539200365472 0.00000000000000 1.008 11 H 0.38460799634528 0.38460799634528 0.50000000000000 1.008 12 H 0.88460799634528 0.88460799634528 0.00000000000000 1.008 13 H 0.29458642913129 0.70541357086871 0.70534346652654 1.008 14 H 0.70541357086871 0.29458642913129 0.29465653347346 1.008 15 H 0.20541357086871 0.79458642913129 0.20534346652654 1.008 16 H 0.79458642913129 0.20541357086871 0.79465653347346 1.008 17 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 18 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.430318919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.656403519999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.657938540000000 Atomic positions (fractional): 1 Ba 0.85922966149035 0.00000000000000 0.25000000000000 137.327 > 1 2 Ba 0.85922966149035 0.50000000000000 0.25000000000000 137.327 > 1 3 Ba 0.85922966149035 0.00000000000000 0.75000000000000 137.327 > 1 4 Ba 0.85922966149035 0.50000000000000 0.75000000000000 137.327 > 1 5 Ba 0.85922966149035 0.25000000000000 0.00000000000000 137.327 > 5 6 Ba 0.85922966149035 0.75000000000000 0.00000000000000 137.327 > 5 7 Ba 0.85922966149035 0.25000000000000 0.50000000000000 137.327 > 5 8 Ba 0.85922966149035 0.75000000000000 0.50000000000000 137.327 > 5 9 Ba 0.64077033850965 0.25000000000000 0.25000000000000 137.327 > 9 10 Ba 0.64077033850965 0.75000000000000 0.25000000000000 137.327 > 9 11 Ba 0.64077033850965 0.25000000000000 0.75000000000000 137.327 > 9 12 Ba 0.64077033850965 0.75000000000000 0.75000000000000 137.327 > 9 13 Ba 0.64077033850965 0.00000000000000 0.00000000000000 137.327 > 13 14 Ba 0.64077033850965 0.50000000000000 0.00000000000000 137.327 > 13 15 Ba 0.64077033850965 0.00000000000000 0.50000000000000 137.327 > 13 16 Ba 0.64077033850965 0.50000000000000 0.50000000000000 137.327 > 13 17 Ba 0.35922966149035 0.25000000000000 0.25000000000000 137.327 > 1 18 Ba 0.35922966149035 0.75000000000000 0.25000000000000 137.327 > 1 19 Ba 0.35922966149035 0.25000000000000 0.75000000000000 137.327 > 1 20 Ba 0.35922966149035 0.75000000000000 0.75000000000000 137.327 > 1 21 Ba 0.35922966149035 0.00000000000000 0.00000000000000 137.327 > 5 22 Ba 0.35922966149035 0.50000000000000 0.00000000000000 137.327 > 5 23 Ba 0.35922966149035 0.00000000000000 0.50000000000000 137.327 > 5 24 Ba 0.35922966149035 0.50000000000000 0.50000000000000 137.327 > 5 25 Ba 0.14077033850965 0.00000000000000 0.25000000000000 137.327 > 9 26 Ba 0.14077033850965 0.50000000000000 0.25000000000000 137.327 > 9 27 Ba 0.14077033850965 0.00000000000000 0.75000000000000 137.327 > 9 28 Ba 0.14077033850965 0.50000000000000 0.75000000000000 137.327 > 9 29 Ba 0.14077033850965 0.25000000000000 0.00000000000000 137.327 > 13 30 Ba 0.14077033850965 0.75000000000000 0.00000000000000 137.327 > 13 31 Ba 0.14077033850965 0.25000000000000 0.50000000000000 137.327 > 13 32 Ba 0.14077033850965 0.75000000000000 0.50000000000000 137.327 > 13 33 H 0.75000000000000 0.12504486788048 0.37500000000000 1.008 > 33 34 H 0.75000000000000 0.62504486788048 0.37500000000000 1.008 > 33 35 H 0.75000000000000 0.12504486788048 0.87500000000000 1.008 > 33 36 H 0.75000000000000 0.62504486788048 0.87500000000000 1.008 > 33 37 H 0.75000000000000 0.37495513211952 0.12500000000000 1.008 > 37 38 H 0.75000000000000 0.87495513211952 0.12500000000000 1.008 > 37 39 H 0.75000000000000 0.37495513211952 0.62500000000000 1.008 > 37 40 H 0.75000000000000 0.87495513211952 0.62500000000000 1.008 > 37 41 H 0.75000000000000 0.12495513211952 0.12500000000000 1.008 > 41 42 H 0.75000000000000 0.62495513211952 0.12500000000000 1.008 > 41 43 H 0.75000000000000 0.12495513211952 0.62500000000000 1.008 > 41 44 H 0.75000000000000 0.62495513211952 0.62500000000000 1.008 > 41 45 H 0.75000000000000 0.37504486788048 0.37500000000000 1.008 > 45 46 H 0.75000000000000 0.87504486788048 0.37500000000000 1.008 > 45 47 H 0.75000000000000 0.37504486788048 0.87500000000000 1.008 > 45 48 H 0.75000000000000 0.87504486788048 0.87500000000000 1.008 > 45 49 H 0.61539200365472 0.00000000000000 0.25000000000000 1.008 > 49 50 H 0.61539200365472 0.50000000000000 0.25000000000000 1.008 > 49 51 H 0.61539200365472 0.00000000000000 0.75000000000000 1.008 > 49 52 H 0.61539200365472 0.50000000000000 0.75000000000000 1.008 > 49 53 H 0.61539200365472 0.25000000000000 0.00000000000000 1.008 > 53 54 H 0.61539200365472 0.75000000000000 0.00000000000000 1.008 > 53 55 H 0.61539200365472 0.25000000000000 0.50000000000000 1.008 > 53 56 H 0.61539200365472 0.75000000000000 0.50000000000000 1.008 > 53 57 H 0.88460799634528 0.25000000000000 0.25000000000000 1.008 > 57 58 H 0.88460799634528 0.75000000000000 0.25000000000000 1.008 > 57 59 H 0.88460799634528 0.25000000000000 0.75000000000000 1.008 > 57 60 H 0.88460799634528 0.75000000000000 0.75000000000000 1.008 > 57 61 H 0.88460799634528 0.00000000000000 0.00000000000000 1.008 > 61 62 H 0.88460799634528 0.50000000000000 0.00000000000000 1.008 > 61 63 H 0.88460799634528 0.00000000000000 0.50000000000000 1.008 > 61 64 H 0.88460799634528 0.50000000000000 0.50000000000000 1.008 > 61 65 H 0.00000000000000 0.35270678543436 0.35267173326327 1.008 > 65 66 H 0.00000000000000 0.85270678543436 0.35267173326327 1.008 > 65 67 H 0.00000000000000 0.35270678543436 0.85267173326327 1.008 > 65 68 H 0.00000000000000 0.85270678543436 0.85267173326327 1.008 > 65 69 H 0.00000000000000 0.14729321456565 0.14732826673673 1.008 > 69 70 H 0.00000000000000 0.64729321456565 0.14732826673673 1.008 > 69 71 H 0.00000000000000 0.14729321456565 0.64732826673673 1.008 > 69 72 H 0.00000000000000 0.64729321456565 0.64732826673673 1.008 > 69 73 H 0.00000000000000 0.39729321456564 0.10267173326327 1.008 > 73 74 H 0.00000000000000 0.89729321456564 0.10267173326327 1.008 > 73 75 H 0.00000000000000 0.39729321456564 0.60267173326327 1.008 > 73 76 H 0.00000000000000 0.89729321456564 0.60267173326327 1.008 > 73 77 H 0.00000000000000 0.10270678543436 0.39732826673673 1.008 > 77 78 H 0.00000000000000 0.60270678543435 0.39732826673673 1.008 > 77 79 H 0.00000000000000 0.10270678543436 0.89732826673673 1.008 > 77 80 H 0.00000000000000 0.60270678543435 0.89732826673673 1.008 > 77 81 H 0.25000000000000 0.37504486788048 0.37500000000000 1.008 > 33 82 H 0.25000000000000 0.87504486788048 0.37500000000000 1.008 > 33 83 H 0.25000000000000 0.37504486788048 0.87500000000000 1.008 > 33 84 H 0.25000000000000 0.87504486788048 0.87500000000000 1.008 > 33 85 H 0.25000000000000 0.12495513211952 0.12500000000000 1.008 > 37 86 H 0.25000000000000 0.62495513211952 0.12500000000000 1.008 > 37 87 H 0.25000000000000 0.12495513211952 0.62500000000000 1.008 > 37 88 H 0.25000000000000 0.62495513211952 0.62500000000000 1.008 > 37 89 H 0.25000000000000 0.37495513211952 0.12500000000000 1.008 > 41 90 H 0.25000000000000 0.87495513211952 0.12500000000000 1.008 > 41 91 H 0.25000000000000 0.37495513211952 0.62500000000000 1.008 > 41 92 H 0.25000000000000 0.87495513211952 0.62500000000000 1.008 > 41 93 H 0.25000000000000 0.12504486788048 0.37500000000000 1.008 > 45 94 H 0.25000000000000 0.62504486788048 0.37500000000000 1.008 > 45 95 H 0.25000000000000 0.12504486788048 0.87500000000000 1.008 > 45 96 H 0.25000000000000 0.62504486788048 0.87500000000000 1.008 > 45 97 H 0.11539200365472 0.25000000000000 0.25000000000000 1.008 > 49 98 H 0.11539200365472 0.75000000000000 0.25000000000000 1.008 > 49 99 H 0.11539200365472 0.25000000000000 0.75000000000000 1.008 > 49 100 H 0.11539200365472 0.75000000000000 0.75000000000000 1.008 > 49 101 H 0.11539200365472 0.00000000000000 0.00000000000000 1.008 > 53 102 H 0.11539200365472 0.50000000000000 0.00000000000000 1.008 > 53 103 H 0.11539200365472 0.00000000000000 0.50000000000000 1.008 > 53 104 H 0.11539200365472 0.50000000000000 0.50000000000000 1.008 > 53 105 H 0.38460799634528 0.00000000000000 0.25000000000000 1.008 > 57 106 H 0.38460799634528 0.50000000000000 0.25000000000000 1.008 > 57 107 H 0.38460799634528 0.00000000000000 0.75000000000000 1.008 > 57 108 H 0.38460799634528 0.50000000000000 0.75000000000000 1.008 > 57 109 H 0.38460799634528 0.25000000000000 0.00000000000000 1.008 > 61 110 H 0.38460799634528 0.75000000000000 0.00000000000000 1.008 > 61 111 H 0.38460799634528 0.25000000000000 0.50000000000000 1.008 > 61 112 H 0.38460799634528 0.75000000000000 0.50000000000000 1.008 > 61 113 H 0.50000000000000 0.10270678543436 0.35267173326327 1.008 > 65 114 H 0.50000000000000 0.60270678543435 0.35267173326327 1.008 > 65 115 H 0.50000000000000 0.10270678543436 0.85267173326327 1.008 > 65 116 H 0.50000000000000 0.60270678543435 0.85267173326327 1.008 > 65 117 H 0.50000000000000 0.39729321456564 0.14732826673673 1.008 > 69 118 H 0.50000000000000 0.89729321456564 0.14732826673673 1.008 > 69 119 H 0.50000000000000 0.39729321456564 0.64732826673673 1.008 > 69 120 H 0.50000000000000 0.89729321456564 0.64732826673673 1.008 > 69 121 H 0.50000000000000 0.14729321456565 0.10267173326327 1.008 > 73 122 H 0.50000000000000 0.64729321456565 0.10267173326327 1.008 > 73 123 H 0.50000000000000 0.14729321456565 0.60267173326327 1.008 > 73 124 H 0.50000000000000 0.64729321456565 0.60267173326327 1.008 > 73 125 H 0.50000000000000 0.35270678543436 0.39732826673673 1.008 > 77 126 H 0.50000000000000 0.85270678543436 0.39732826673673 1.008 > 77 127 H 0.50000000000000 0.35270678543436 0.89732826673673 1.008 > 77 128 H 0.50000000000000 0.85270678543436 0.89732826673673 1.008 > 77 129 Pt 0.00000000000000 0.25000000000000 0.25000000000000 195.084 > 129 130 Pt 0.00000000000000 0.75000000000000 0.25000000000000 195.084 > 129 131 Pt 0.00000000000000 0.25000000000000 0.75000000000000 195.084 > 129 132 Pt 0.00000000000000 0.75000000000000 0.75000000000000 195.084 > 129 133 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 133 134 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 133 135 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 133 136 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 133 137 Pt 0.50000000000000 0.00000000000000 0.25000000000000 195.084 > 129 138 Pt 0.50000000000000 0.50000000000000 0.25000000000000 195.084 > 129 139 Pt 0.50000000000000 0.00000000000000 0.75000000000000 195.084 > 129 140 Pt 0.50000000000000 0.50000000000000 0.75000000000000 195.084 > 129 141 Pt 0.50000000000000 0.25000000000000 0.00000000000000 195.084 > 133 142 Pt 0.50000000000000 0.75000000000000 0.00000000000000 195.084 > 133 143 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 133 144 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5834900 0.0000000 0.0000000 0.0000000 9.2536529 0.0000000 0.0000000 0.0000000 9.6053680 -------------------------- Born effective charges -------------------------- 1 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 0.0592390 0.0000000 -0.1081315 2.3821971 2 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 -0.0592390 0.0000000 0.1081315 2.3821971 3 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 0.0592390 0.0000000 -0.1081315 2.3821971 4 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 -0.0592390 0.0000000 0.1081315 2.3821971 5 H -1.3273015 0.0000000 0.0031389 0.0000000 -0.9916653 0.0000000 0.0424567 0.0000000 -1.0188178 6 H -1.3273015 0.0000000 -0.0031389 0.0000000 -0.9916653 0.0000000 -0.0424567 0.0000000 -1.0188178 7 H -1.3273015 0.0000000 0.0031389 0.0000000 -0.9916653 0.0000000 0.0424567 0.0000000 -1.0188178 8 H -1.3273015 0.0000000 -0.0031389 0.0000000 -0.9916653 0.0000000 -0.0424567 0.0000000 -1.0188178 9 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 0.2895672 0.0000000 0.2965245 0.0059571 10 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 -0.2895672 0.0000000 -0.2965245 0.0059571 11 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 0.2895672 0.0000000 0.2965245 0.0059571 12 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 -0.2895672 0.0000000 -0.2965245 0.0059571 13 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 -0.6591213 0.0000000 -0.6714964 -0.9841188 14 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 -0.6591213 0.0000000 -0.6714964 -0.9841188 15 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 0.6591213 0.0000000 0.6714964 -0.9841188 16 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 0.6591213 0.0000000 0.6714964 -0.9841188 17 Pt -0.6669970 0.0000000 0.0000000 0.0000000 -0.8464723 0.3350471 0.0000000 0.3963832 -0.7704352 18 Pt -0.6669970 0.0000000 0.0000000 0.0000000 -0.8464723 -0.3350471 0.0000000 -0.3963832 -0.7704352 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 129, 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: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:09:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:09:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.215159460000000 -2.914100879999999 0.000000000000000 b 7.215159460000000 2.914100879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.828969270000000 Atomic positions (fractional): 1 Ba 0.85922966149035 0.85922966149035 0.50000000000000 137.327 2 Ba 0.35922966149035 0.35922966149035 0.00000000000000 137.327 3 Ba 0.14077033850965 0.14077033850965 0.50000000000000 137.327 4 Ba 0.64077033850965 0.64077033850965 0.00000000000000 137.327 5 H 0.49991026423904 0.00008973576097 0.75000000000000 1.008 6 H 0.00008973576097 0.49991026423903 0.25000000000000 1.008 7 H 0.50008973576097 0.99991026423903 0.25000000000000 1.008 8 H 0.99991026423903 0.50008973576097 0.75000000000000 1.008 9 H 0.61539200365472 0.61539200365472 0.50000000000000 1.008 10 H 0.11539200365472 0.11539200365472 0.00000000000000 1.008 11 H 0.38460799634528 0.38460799634528 0.50000000000000 1.008 12 H 0.88460799634528 0.88460799634528 0.00000000000000 1.008 13 H 0.29458642913129 0.70541357086871 0.70534346652654 1.008 14 H 0.70541357086871 0.29458642913129 0.29465653347346 1.008 15 H 0.20541357086871 0.79458642913129 0.20534346652654 1.008 16 H 0.79458642913129 0.20541357086871 0.79465653347346 1.008 17 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 18 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.430318919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.656403519999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.657938540000000 Atomic positions (fractional): 1 Ba 0.85922966149035 0.00000000000000 0.25000000000000 137.327 > 1 2 Ba 0.85922966149035 0.50000000000000 0.25000000000000 137.327 > 1 3 Ba 0.85922966149035 0.00000000000000 0.75000000000000 137.327 > 1 4 Ba 0.85922966149035 0.50000000000000 0.75000000000000 137.327 > 1 5 Ba 0.85922966149035 0.25000000000000 0.00000000000000 137.327 > 5 6 Ba 0.85922966149035 0.75000000000000 0.00000000000000 137.327 > 5 7 Ba 0.85922966149035 0.25000000000000 0.50000000000000 137.327 > 5 8 Ba 0.85922966149035 0.75000000000000 0.50000000000000 137.327 > 5 9 Ba 0.64077033850965 0.25000000000000 0.25000000000000 137.327 > 9 10 Ba 0.64077033850965 0.75000000000000 0.25000000000000 137.327 > 9 11 Ba 0.64077033850965 0.25000000000000 0.75000000000000 137.327 > 9 12 Ba 0.64077033850965 0.75000000000000 0.75000000000000 137.327 > 9 13 Ba 0.64077033850965 0.00000000000000 0.00000000000000 137.327 > 13 14 Ba 0.64077033850965 0.50000000000000 0.00000000000000 137.327 > 13 15 Ba 0.64077033850965 0.00000000000000 0.50000000000000 137.327 > 13 16 Ba 0.64077033850965 0.50000000000000 0.50000000000000 137.327 > 13 17 Ba 0.35922966149035 0.25000000000000 0.25000000000000 137.327 > 1 18 Ba 0.35922966149035 0.75000000000000 0.25000000000000 137.327 > 1 19 Ba 0.35922966149035 0.25000000000000 0.75000000000000 137.327 > 1 20 Ba 0.35922966149035 0.75000000000000 0.75000000000000 137.327 > 1 21 Ba 0.35922966149035 0.00000000000000 0.00000000000000 137.327 > 5 22 Ba 0.35922966149035 0.50000000000000 0.00000000000000 137.327 > 5 23 Ba 0.35922966149035 0.00000000000000 0.50000000000000 137.327 > 5 24 Ba 0.35922966149035 0.50000000000000 0.50000000000000 137.327 > 5 25 Ba 0.14077033850965 0.00000000000000 0.25000000000000 137.327 > 9 26 Ba 0.14077033850965 0.50000000000000 0.25000000000000 137.327 > 9 27 Ba 0.14077033850965 0.00000000000000 0.75000000000000 137.327 > 9 28 Ba 0.14077033850965 0.50000000000000 0.75000000000000 137.327 > 9 29 Ba 0.14077033850965 0.25000000000000 0.00000000000000 137.327 > 13 30 Ba 0.14077033850965 0.75000000000000 0.00000000000000 137.327 > 13 31 Ba 0.14077033850965 0.25000000000000 0.50000000000000 137.327 > 13 32 Ba 0.14077033850965 0.75000000000000 0.50000000000000 137.327 > 13 33 H 0.75000000000000 0.12504486788048 0.37500000000000 1.008 > 33 34 H 0.75000000000000 0.62504486788048 0.37500000000000 1.008 > 33 35 H 0.75000000000000 0.12504486788048 0.87500000000000 1.008 > 33 36 H 0.75000000000000 0.62504486788048 0.87500000000000 1.008 > 33 37 H 0.75000000000000 0.37495513211952 0.12500000000000 1.008 > 37 38 H 0.75000000000000 0.87495513211952 0.12500000000000 1.008 > 37 39 H 0.75000000000000 0.37495513211952 0.62500000000000 1.008 > 37 40 H 0.75000000000000 0.87495513211952 0.62500000000000 1.008 > 37 41 H 0.75000000000000 0.12495513211952 0.12500000000000 1.008 > 41 42 H 0.75000000000000 0.62495513211952 0.12500000000000 1.008 > 41 43 H 0.75000000000000 0.12495513211952 0.62500000000000 1.008 > 41 44 H 0.75000000000000 0.62495513211952 0.62500000000000 1.008 > 41 45 H 0.75000000000000 0.37504486788048 0.37500000000000 1.008 > 45 46 H 0.75000000000000 0.87504486788048 0.37500000000000 1.008 > 45 47 H 0.75000000000000 0.37504486788048 0.87500000000000 1.008 > 45 48 H 0.75000000000000 0.87504486788048 0.87500000000000 1.008 > 45 49 H 0.61539200365472 0.00000000000000 0.25000000000000 1.008 > 49 50 H 0.61539200365472 0.50000000000000 0.25000000000000 1.008 > 49 51 H 0.61539200365472 0.00000000000000 0.75000000000000 1.008 > 49 52 H 0.61539200365472 0.50000000000000 0.75000000000000 1.008 > 49 53 H 0.61539200365472 0.25000000000000 0.00000000000000 1.008 > 53 54 H 0.61539200365472 0.75000000000000 0.00000000000000 1.008 > 53 55 H 0.61539200365472 0.25000000000000 0.50000000000000 1.008 > 53 56 H 0.61539200365472 0.75000000000000 0.50000000000000 1.008 > 53 57 H 0.88460799634528 0.25000000000000 0.25000000000000 1.008 > 57 58 H 0.88460799634528 0.75000000000000 0.25000000000000 1.008 > 57 59 H 0.88460799634528 0.25000000000000 0.75000000000000 1.008 > 57 60 H 0.88460799634528 0.75000000000000 0.75000000000000 1.008 > 57 61 H 0.88460799634528 0.00000000000000 0.00000000000000 1.008 > 61 62 H 0.88460799634528 0.50000000000000 0.00000000000000 1.008 > 61 63 H 0.88460799634528 0.00000000000000 0.50000000000000 1.008 > 61 64 H 0.88460799634528 0.50000000000000 0.50000000000000 1.008 > 61 65 H 0.00000000000000 0.35270678543436 0.35267173326327 1.008 > 65 66 H 0.00000000000000 0.85270678543436 0.35267173326327 1.008 > 65 67 H 0.00000000000000 0.35270678543436 0.85267173326327 1.008 > 65 68 H 0.00000000000000 0.85270678543436 0.85267173326327 1.008 > 65 69 H 0.00000000000000 0.14729321456565 0.14732826673673 1.008 > 69 70 H 0.00000000000000 0.64729321456565 0.14732826673673 1.008 > 69 71 H 0.00000000000000 0.14729321456565 0.64732826673673 1.008 > 69 72 H 0.00000000000000 0.64729321456565 0.64732826673673 1.008 > 69 73 H 0.00000000000000 0.39729321456564 0.10267173326327 1.008 > 73 74 H 0.00000000000000 0.89729321456564 0.10267173326327 1.008 > 73 75 H 0.00000000000000 0.39729321456564 0.60267173326327 1.008 > 73 76 H 0.00000000000000 0.89729321456564 0.60267173326327 1.008 > 73 77 H 0.00000000000000 0.10270678543436 0.39732826673673 1.008 > 77 78 H 0.00000000000000 0.60270678543435 0.39732826673673 1.008 > 77 79 H 0.00000000000000 0.10270678543436 0.89732826673673 1.008 > 77 80 H 0.00000000000000 0.60270678543435 0.89732826673673 1.008 > 77 81 H 0.25000000000000 0.37504486788048 0.37500000000000 1.008 > 33 82 H 0.25000000000000 0.87504486788048 0.37500000000000 1.008 > 33 83 H 0.25000000000000 0.37504486788048 0.87500000000000 1.008 > 33 84 H 0.25000000000000 0.87504486788048 0.87500000000000 1.008 > 33 85 H 0.25000000000000 0.12495513211952 0.12500000000000 1.008 > 37 86 H 0.25000000000000 0.62495513211952 0.12500000000000 1.008 > 37 87 H 0.25000000000000 0.12495513211952 0.62500000000000 1.008 > 37 88 H 0.25000000000000 0.62495513211952 0.62500000000000 1.008 > 37 89 H 0.25000000000000 0.37495513211952 0.12500000000000 1.008 > 41 90 H 0.25000000000000 0.87495513211952 0.12500000000000 1.008 > 41 91 H 0.25000000000000 0.37495513211952 0.62500000000000 1.008 > 41 92 H 0.25000000000000 0.87495513211952 0.62500000000000 1.008 > 41 93 H 0.25000000000000 0.12504486788048 0.37500000000000 1.008 > 45 94 H 0.25000000000000 0.62504486788048 0.37500000000000 1.008 > 45 95 H 0.25000000000000 0.12504486788048 0.87500000000000 1.008 > 45 96 H 0.25000000000000 0.62504486788048 0.87500000000000 1.008 > 45 97 H 0.11539200365472 0.25000000000000 0.25000000000000 1.008 > 49 98 H 0.11539200365472 0.75000000000000 0.25000000000000 1.008 > 49 99 H 0.11539200365472 0.25000000000000 0.75000000000000 1.008 > 49 100 H 0.11539200365472 0.75000000000000 0.75000000000000 1.008 > 49 101 H 0.11539200365472 0.00000000000000 0.00000000000000 1.008 > 53 102 H 0.11539200365472 0.50000000000000 0.00000000000000 1.008 > 53 103 H 0.11539200365472 0.00000000000000 0.50000000000000 1.008 > 53 104 H 0.11539200365472 0.50000000000000 0.50000000000000 1.008 > 53 105 H 0.38460799634528 0.00000000000000 0.25000000000000 1.008 > 57 106 H 0.38460799634528 0.50000000000000 0.25000000000000 1.008 > 57 107 H 0.38460799634528 0.00000000000000 0.75000000000000 1.008 > 57 108 H 0.38460799634528 0.50000000000000 0.75000000000000 1.008 > 57 109 H 0.38460799634528 0.25000000000000 0.00000000000000 1.008 > 61 110 H 0.38460799634528 0.75000000000000 0.00000000000000 1.008 > 61 111 H 0.38460799634528 0.25000000000000 0.50000000000000 1.008 > 61 112 H 0.38460799634528 0.75000000000000 0.50000000000000 1.008 > 61 113 H 0.50000000000000 0.10270678543436 0.35267173326327 1.008 > 65 114 H 0.50000000000000 0.60270678543435 0.35267173326327 1.008 > 65 115 H 0.50000000000000 0.10270678543436 0.85267173326327 1.008 > 65 116 H 0.50000000000000 0.60270678543435 0.85267173326327 1.008 > 65 117 H 0.50000000000000 0.39729321456564 0.14732826673673 1.008 > 69 118 H 0.50000000000000 0.89729321456564 0.14732826673673 1.008 > 69 119 H 0.50000000000000 0.39729321456564 0.64732826673673 1.008 > 69 120 H 0.50000000000000 0.89729321456564 0.64732826673673 1.008 > 69 121 H 0.50000000000000 0.14729321456565 0.10267173326327 1.008 > 73 122 H 0.50000000000000 0.64729321456565 0.10267173326327 1.008 > 73 123 H 0.50000000000000 0.14729321456565 0.60267173326327 1.008 > 73 124 H 0.50000000000000 0.64729321456565 0.60267173326327 1.008 > 73 125 H 0.50000000000000 0.35270678543436 0.39732826673673 1.008 > 77 126 H 0.50000000000000 0.85270678543436 0.39732826673673 1.008 > 77 127 H 0.50000000000000 0.35270678543436 0.89732826673673 1.008 > 77 128 H 0.50000000000000 0.85270678543436 0.89732826673673 1.008 > 77 129 Pt 0.00000000000000 0.25000000000000 0.25000000000000 195.084 > 129 130 Pt 0.00000000000000 0.75000000000000 0.25000000000000 195.084 > 129 131 Pt 0.00000000000000 0.25000000000000 0.75000000000000 195.084 > 129 132 Pt 0.00000000000000 0.75000000000000 0.75000000000000 195.084 > 129 133 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 133 134 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 133 135 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 133 136 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 133 137 Pt 0.50000000000000 0.00000000000000 0.25000000000000 195.084 > 129 138 Pt 0.50000000000000 0.50000000000000 0.25000000000000 195.084 > 129 139 Pt 0.50000000000000 0.00000000000000 0.75000000000000 195.084 > 129 140 Pt 0.50000000000000 0.50000000000000 0.75000000000000 195.084 > 129 141 Pt 0.50000000000000 0.25000000000000 0.00000000000000 195.084 > 133 142 Pt 0.50000000000000 0.75000000000000 0.00000000000000 195.084 > 133 143 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 133 144 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5834900 0.0000000 0.0000000 0.0000000 9.2536529 0.0000000 0.0000000 0.0000000 9.6053680 -------------------------- Born effective charges -------------------------- 1 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 0.0592390 0.0000000 -0.1081315 2.3821971 2 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 -0.0592390 0.0000000 0.1081315 2.3821971 3 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 0.0592390 0.0000000 -0.1081315 2.3821971 4 Ba 2.5394494 0.0000000 0.0000000 0.0000000 2.3566300 -0.0592390 0.0000000 0.1081315 2.3821971 5 H -1.3273015 0.0000000 0.0031389 0.0000000 -0.9916653 0.0000000 0.0424567 0.0000000 -1.0188178 6 H -1.3273015 0.0000000 -0.0031389 0.0000000 -0.9916653 0.0000000 -0.0424567 0.0000000 -1.0188178 7 H -1.3273015 0.0000000 0.0031389 0.0000000 -0.9916653 0.0000000 0.0424567 0.0000000 -1.0188178 8 H -1.3273015 0.0000000 -0.0031389 0.0000000 -0.9916653 0.0000000 -0.0424567 0.0000000 -1.0188178 9 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 0.2895672 0.0000000 0.2965245 0.0059571 10 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 -0.2895672 0.0000000 -0.2965245 0.0059571 11 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 0.2895672 0.0000000 0.2965245 0.0059571 12 H -0.9284925 0.0000000 0.0000000 0.0000000 -0.0173693 -0.2895672 0.0000000 -0.2965245 0.0059571 13 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 -0.6591213 0.0000000 -0.6714964 -0.9841188 14 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 -0.6591213 0.0000000 -0.6714964 -0.9841188 15 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 0.6591213 0.0000000 0.6714964 -0.9841188 16 H 0.0498430 0.0000000 0.0000000 0.0000000 -0.9243593 0.6591213 0.0000000 0.6714964 -0.9841188 17 Pt -0.6669970 0.0000000 0.0000000 0.0000000 -0.8464723 0.3350471 0.0000000 0.3963832 -0.7704352 18 Pt -0.6669970 0.0000000 0.0000000 0.0000000 -0.8464723 -0.3350471 0.0000000 -0.3963832 -0.7704352 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 305, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.344 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 14.034 ( 0.000 0.000 0.000) 0.000 14.047 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 14.671 ( 0.000 0.000 0.000) 0.000 16.795 ( 0.000 0.000 0.000) 0.000 18.563 ( 0.000 0.000 0.000) 0.000 22.392 ( 0.000 0.000 0.000) 0.000 22.399 ( 0.000 0.000 0.000) 0.000 22.476 ( 0.000 0.000 0.000) 0.000 22.482 ( 0.000 0.000 0.000) 0.000 23.526 ( 0.000 0.000 0.000) 0.000 23.662 ( 0.000 0.000 0.000) 0.000 24.162 ( 0.000 0.000 0.000) 0.000 24.183 ( 0.000 0.000 0.000) 0.000 24.405 ( 0.000 0.000 0.000) 0.000 24.511 ( 0.000 0.000 0.000) 0.000 24.581 ( 0.000 0.000 0.000) 0.000 24.711 ( 0.000 0.000 0.000) 0.000 24.830 ( 0.000 0.000 0.000) 0.000 24.905 ( 0.000 0.000 0.000) 0.000 24.908 ( 0.000 0.000 0.000) 0.000 25.805 ( 0.000 0.000 0.000) 0.000 26.007 ( 0.000 0.000 0.000) 0.000 26.279 ( 0.000 0.000 0.000) 0.000 26.279 ( 0.000 0.000 0.000) 0.000 26.390 ( 0.000 0.000 0.000) 0.000 26.694 ( 0.000 0.000 0.000) 0.000 26.699 ( 0.000 0.000 0.000) 0.000 43.320 ( 0.000 0.000 0.000) 0.000 43.330 ( 0.000 0.000 0.000) 0.000 50.214 ( 0.000 0.000 0.000) 0.000 50.277 ( 0.000 0.000 0.000) 0.000 50.576 ( 0.000 0.000 0.000) 0.000 51.371 ( 0.000 0.000 0.000) 0.000 59.375 ( 0.000 0.000 0.000) 0.000 59.486 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 9.239 -15.716 0.000) 18.230 0.398 ( -0.159 -20.566 0.000) 20.566 0.716 ( 15.444 -30.201 0.000) 33.921 1.404 ( 0.474 -5.528 0.000) 5.549 1.549 ( -2.810 -1.958 0.000) 3.425 1.948 ( 1.774 3.101 0.000) 3.573 2.448 ( 4.279 5.543 0.000) 7.003 2.450 ( -5.537 -1.639 0.000) 5.774 2.456 ( -10.480 -2.658 0.000) 10.812 2.544 ( -8.184 -4.366 0.000) 9.275 2.615 ( 5.799 4.460 0.000) 7.316 2.629 ( 6.636 0.850 0.000) 6.690 2.767 ( 1.147 2.980 0.000) 3.193 2.933 ( 9.636 5.626 0.000) 11.158 3.072 ( -1.835 -6.398 0.000) 6.655 3.502 ( 1.216 1.890 0.000) 2.247 3.605 ( -0.737 2.366 0.000) 2.478 3.827 ( -1.396 1.955 0.000) 2.402 14.075 ( 0.205 -2.772 0.000) 2.779 14.096 ( 0.260 -6.096 0.000) 6.102 14.638 ( 0.522 1.762 0.000) 1.837 14.689 ( 0.645 -1.536 0.000) 1.666 16.856 ( -0.265 -6.332 0.000) 6.337 18.506 ( -0.145 5.794 0.000) 5.796 22.403 ( 0.308 -0.186 0.000) 0.359 22.461 ( -0.093 1.895 0.000) 1.897 22.556 ( 0.097 -8.117 0.000) 8.117 23.582 ( 0.048 -5.524 0.000) 5.525 23.688 ( -37.848 -34.152 0.000) 50.978 23.729 ( -1.571 -7.225 0.000) 7.394 24.165 ( 0.532 1.231 0.000) 1.341 24.178 ( 1.777 -0.217 0.000) 1.790 24.393 ( -1.054 0.796 0.000) 1.321 24.482 ( -0.404 2.697 0.000) 2.727 24.566 ( 0.109 1.244 0.000) 1.249 24.851 ( -0.388 -1.879 0.000) 1.919 24.912 ( -1.106 -1.302 0.000) 1.708 24.923 ( -0.271 -2.095 0.000) 2.113 24.964 ( -22.279 -10.943 0.000) 24.821 25.811 ( 3.355 0.815 0.000) 3.453 26.121 ( 14.745 5.839 0.000) 15.859 26.266 ( 0.304 1.632 0.000) 1.660 26.351 ( -7.140 -2.370 0.000) 7.523 26.367 ( -0.247 2.336 0.000) 2.349 26.644 ( -2.234 4.287 0.000) 4.834 27.140 ( 107.386 52.193 0.000) 119.398 43.417 ( 0.116 -9.796 0.000) 9.797 44.373 ( -21.898 -13.107 0.000) 25.521 50.290 ( -0.196 -1.427 0.000) 1.441 50.302 ( 23.156 9.369 0.000) 24.979 50.664 ( 0.400 -8.678 0.000) 8.687 51.415 ( 0.013 -4.250 0.000) 4.250 59.383 ( -0.021 -0.812 0.000) 0.812 59.469 ( -1.710 1.038 0.000) 2.000 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 9.467 -13.671 0.000) 16.629 0.775 ( -1.073 -19.417 0.000) 19.447 1.365 ( 13.436 -25.168 0.000) 28.530 1.526 ( -0.857 -6.364 0.000) 6.422 1.564 ( -3.136 -2.038 0.000) 3.740 1.893 ( 4.722 4.940 0.000) 6.834 2.341 ( -4.060 5.924 0.000) 7.182 2.354 ( -7.169 4.640 0.000) 8.540 2.433 ( -11.838 -3.740 0.000) 12.414 2.544 ( -5.415 -1.126 0.000) 5.531 2.605 ( 4.593 -1.733 0.000) 4.909 2.700 ( 3.028 5.620 0.000) 6.384 2.759 ( 7.977 -4.658 0.000) 9.237 2.918 ( 9.104 2.886 0.000) 9.550 3.162 ( -3.808 -4.940 0.000) 6.238 3.466 ( 2.353 3.247 0.000) 4.010 3.530 ( -1.502 4.536 0.000) 4.778 3.759 ( -3.183 3.190 0.000) 4.506 14.150 ( 0.058 -4.789 0.000) 4.790 14.255 ( 0.201 -9.935 0.000) 9.937 14.595 ( 1.019 3.264 0.000) 3.419 14.730 ( 1.202 -1.717 0.000) 2.096 17.023 ( -1.028 -11.354 0.000) 11.401 18.347 ( 0.215 10.692 0.000) 10.695 22.407 ( 0.286 0.069 0.000) 0.294 22.420 ( 0.176 2.156 0.000) 2.163 22.777 ( -0.220 -14.663 0.000) 14.665 23.713 ( -0.033 -7.517 0.000) 7.517 23.877 ( -3.441 -8.757 0.000) 9.409 24.116 ( 3.415 5.330 0.000) 6.330 24.140 ( -14.283 -31.032 0.000) 34.162 24.230 ( 0.189 -4.379 0.000) 4.383 24.363 ( -1.364 0.930 0.000) 1.651 24.421 ( 0.128 2.739 0.000) 2.742 24.565 ( 3.925 -0.658 0.000) 3.980 24.880 ( -0.550 -1.546 0.000) 1.641 24.930 ( -0.072 -0.954 0.000) 0.956 24.973 ( -2.145 -3.487 0.000) 4.094 25.018 ( -11.538 -8.559 0.000) 14.366 25.819 ( 6.763 2.678 0.000) 7.274 26.122 ( 8.313 3.434 0.000) 8.995 26.209 ( 0.412 5.180 0.000) 5.196 26.304 ( -0.611 3.370 0.000) 3.425 26.335 ( -3.671 -0.269 0.000) 3.681 26.538 ( -1.776 4.247 0.000) 4.603 26.917 ( 44.493 31.562 0.000) 54.551 43.674 ( -0.001 -16.270 0.000) 16.270 44.470 ( -9.024 -8.696 0.000) 12.532 50.308 ( 15.311 5.544 0.000) 16.284 50.322 ( -1.492 -2.350 0.000) 2.784 50.891 ( -0.207 -14.343 0.000) 14.345 51.514 ( -0.038 -5.456 0.000) 5.457 59.399 ( -0.127 -0.748 0.000) 0.758 59.428 ( -2.862 1.105 0.000) 3.067 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 9.562 -10.449 0.000) 14.164 1.115 ( -2.467 -17.504 0.000) 17.677 1.542 ( -4.594 0.095 0.000) 4.594 1.612 ( 0.143 -3.314 0.000) 3.317 1.825 ( 6.796 7.868 0.000) 10.397 1.848 ( 5.464 -12.393 0.000) 13.544 2.202 ( -4.827 1.002 0.000) 4.930 2.251 ( -6.676 -0.730 0.000) 6.716 2.426 ( -12.009 -5.161 0.000) 13.071 2.512 ( 0.299 1.957 0.000) 1.980 2.609 ( 5.341 6.887 0.000) 8.715 2.673 ( 2.515 -1.348 0.000) 2.853 2.919 ( 6.022 -6.411 0.000) 8.796 2.964 ( 8.560 -0.354 0.000) 8.568 3.196 ( -5.290 -2.238 0.000) 5.744 3.412 ( -2.320 6.247 0.000) 6.664 3.426 ( 3.650 2.751 0.000) 4.570 3.660 ( -5.024 3.791 0.000) 6.293 14.250 ( -0.489 -5.705 0.000) 5.726 14.453 ( -0.159 -9.980 0.000) 9.982 14.532 ( 1.287 3.980 0.000) 4.183 14.759 ( 1.518 0.189 0.000) 1.529 17.261 ( -2.010 -14.583 0.000) 14.721 18.111 ( 1.062 14.220 0.000) 14.260 22.389 ( 0.381 1.219 0.000) 1.278 22.402 ( -0.022 0.541 0.000) 0.542 23.090 ( -1.021 -18.078 0.000) 18.107 23.848 ( -1.476 -7.023 0.000) 7.176 23.922 ( 0.068 5.225 0.000) 5.226 24.041 ( 2.701 2.853 0.000) 3.928 24.294 ( -5.028 -2.088 0.000) 5.444 24.306 ( -1.090 1.390 0.000) 1.766 24.458 ( 0.862 -7.685 0.000) 7.733 24.518 ( 2.281 -8.406 0.000) 8.710 24.724 ( 3.529 -12.097 0.000) 12.601 24.902 ( -1.082 -1.296 0.000) 1.688 24.942 ( -0.393 -0.412 0.000) 0.570 24.998 ( -4.245 -1.364 0.000) 4.459 25.142 ( -12.317 -15.780 0.000) 20.018 25.805 ( 10.764 6.234 0.000) 12.439 26.084 ( -0.202 6.916 0.000) 6.919 26.113 ( 6.040 3.596 0.000) 7.029 26.248 ( 0.329 2.252 0.000) 2.276 26.301 ( -1.968 1.666 0.000) 2.579 26.472 ( -0.549 1.762 0.000) 1.846 26.663 ( 18.719 19.435 0.000) 26.983 44.003 ( -0.185 -17.431 0.000) 17.432 44.535 ( -3.920 -2.650 0.000) 4.732 50.325 ( 13.197 4.232 0.000) 13.859 50.350 ( -4.194 -2.719 0.000) 4.999 51.178 ( -0.474 -15.211 0.000) 15.218 51.594 ( -0.084 -2.305 0.000) 2.307 59.392 ( -2.911 0.113 0.000) 2.913 59.405 ( -0.038 0.184 0.000) 0.188 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 9.165 -6.437 0.000) 11.200 1.372 ( -5.909 -8.345 0.000) 10.226 1.498 ( -5.213 -3.808 0.000) 6.456 1.671 ( 4.552 10.470 0.000) 11.416 1.696 ( 6.202 -1.678 0.000) 6.425 1.835 ( -8.691 4.662 0.000) 9.862 2.274 ( -7.344 -6.033 0.000) 9.504 2.296 ( 8.277 -0.252 0.000) 8.281 2.447 ( -11.027 -6.388 0.000) 12.744 2.491 ( 6.946 4.372 0.000) 8.208 2.561 ( 2.009 -2.041 0.000) 2.864 2.662 ( 0.570 4.148 0.000) 4.187 3.054 ( 8.350 -2.017 0.000) 8.590 3.091 ( 4.106 -7.272 0.000) 8.351 3.155 ( -7.083 1.395 0.000) 7.219 3.261 ( -3.251 7.212 0.000) 7.910 3.446 ( 5.740 -1.247 0.000) 5.874 3.544 ( -6.173 3.601 0.000) 7.147 14.354 ( -1.133 -5.711 0.000) 5.823 14.448 ( 1.497 5.178 0.000) 5.390 14.631 ( -0.953 -7.850 0.000) 7.907 14.734 ( 1.432 3.856 0.000) 4.114 17.539 ( -2.431 -16.162 0.000) 16.344 17.832 ( 1.988 16.086 0.000) 16.209 22.380 ( 0.440 0.080 0.000) 0.448 22.389 ( -0.322 0.600 0.000) 0.681 23.427 ( -2.167 -17.983 0.000) 18.113 23.725 ( 2.818 14.826 0.000) 15.092 23.953 ( -2.612 -5.588 0.000) 6.169 24.017 ( 2.439 3.063 0.000) 3.915 24.279 ( -3.762 -0.814 0.000) 3.849 24.279 ( 1.458 1.364 0.000) 1.996 24.618 ( -7.085 -8.981 0.000) 11.439 24.638 ( 11.165 0.779 0.000) 11.192 24.876 ( 1.648 -1.920 0.000) 2.530 24.904 ( -2.672 -0.153 0.000) 2.676 24.947 ( -0.336 -0.842 0.000) 0.906 24.969 ( -1.831 1.003 0.000) 2.088 25.436 ( -14.569 -23.066 0.000) 27.281 25.707 ( 14.861 15.869 0.000) 21.741 26.005 ( -2.408 -1.226 0.000) 2.702 26.064 ( 4.402 5.763 0.000) 7.252 26.227 ( 0.943 0.448 0.000) 1.044 26.248 ( -1.009 1.987 0.000) 2.228 26.458 ( -0.837 -0.801 0.000) 1.158 26.502 ( 4.897 6.807 0.000) 8.385 44.302 ( 0.056 -13.269 0.000) 13.269 44.490 ( -1.254 5.599 0.000) 5.737 50.346 ( 10.871 3.415 0.000) 11.394 50.358 ( -7.660 -2.940 0.000) 8.205 51.433 ( -0.270 -11.117 0.000) 11.121 51.579 ( 0.007 4.169 0.000) 4.169 59.382 ( -1.911 -0.956 0.000) 2.136 59.394 ( 0.667 1.064 0.000) 1.256 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 21.201 0.000 0.000) 21.201 0.328 ( 21.222 0.000 0.000) 21.222 0.500 ( 32.097 0.000 0.000) 32.097 1.360 ( 1.929 0.000 0.000) 1.929 1.465 ( -2.057 -0.000 0.000) 2.057 1.993 ( 2.448 0.000 0.000) 2.448 2.332 ( -13.259 -0.000 0.000) 13.259 2.333 ( -13.154 -0.000 0.000) 13.154 2.403 ( -3.727 -0.000 0.000) 3.727 2.672 ( 8.286 0.000 0.000) 8.286 2.684 ( 8.674 0.000 0.000) 8.674 2.730 ( 1.372 0.000 0.000) 1.372 2.812 ( 2.611 0.000 0.000) 2.611 2.970 ( -2.942 -0.000 0.000) 2.942 3.184 ( -6.435 -0.000 0.000) 6.435 3.533 ( 2.065 0.000 0.000) 2.065 3.619 ( -1.405 -0.000 0.000) 1.405 3.852 ( 0.101 0.000 0.000) 0.101 14.039 ( 0.589 0.000 0.000) 0.589 14.044 ( -0.291 -0.000 0.000) 0.291 14.661 ( 0.967 0.000 0.000) 0.967 14.679 ( 1.069 0.000 0.000) 1.069 16.793 ( -0.263 -0.000 0.000) 0.263 18.559 ( -0.376 -0.000 0.000) 0.376 22.398 ( 0.702 0.000 0.000) 0.702 22.405 ( 0.700 0.000 0.000) 0.700 22.466 ( -0.698 -0.000 0.000) 0.698 22.493 ( 0.691 0.000 0.000) 0.691 23.540 ( 1.762 0.000 0.000) 1.762 23.643 ( -2.280 -0.000 0.000) 2.280 24.161 ( -0.111 -0.000 0.000) 0.111 24.215 ( 3.999 0.000 0.000) 3.999 24.382 ( -2.836 -0.000 0.000) 2.836 24.504 ( -0.882 -0.000 0.000) 0.882 24.555 ( -2.733 -0.000 0.000) 2.733 24.738 ( 2.768 0.000 0.000) 2.768 24.824 ( -0.803 -0.000 0.000) 0.803 24.905 ( 0.076 0.000 0.000) 0.076 24.910 ( 0.255 0.000 0.000) 0.255 25.851 ( 5.284 0.000 0.000) 5.284 26.243 ( 0.076 0.000 0.000) 0.076 26.282 ( 0.415 0.000 0.000) 0.415 26.283 ( 0.483 0.000 0.000) 0.483 26.388 ( -0.264 -0.000 0.000) 0.264 26.661 ( -4.376 -0.000 0.000) 4.376 30.736 ( 2.031 0.000 0.000) 2.031 43.323 ( 0.320 0.000 0.000) 0.320 43.330 ( -0.033 -0.000 0.000) 0.033 50.277 ( 0.029 0.000 0.000) 0.029 50.576 ( -0.030 -0.000 0.000) 0.030 51.186 ( 3.738 0.000 0.000) 3.738 51.372 ( 0.058 0.000 0.000) 0.058 59.375 ( 0.021 0.000 0.000) 0.021 59.474 ( -1.484 -0.000 0.000) 1.484 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 14.451 -8.485 0.000) 16.758 0.598 ( 17.325 -9.975 0.000) 19.991 1.035 ( 23.456 -22.517 0.000) 32.515 1.419 ( 1.520 -4.213 0.000) 4.479 1.492 ( -3.998 -2.897 0.000) 4.937 1.991 ( 3.056 2.209 0.000) 3.771 2.255 ( -13.985 -2.657 0.000) 14.235 2.278 ( -16.527 -3.104 0.000) 16.816 2.372 ( -4.925 0.920 0.000) 5.010 2.631 ( 8.800 8.301 0.000) 12.097 2.669 ( 2.862 4.407 0.000) 5.255 2.753 ( 7.060 -2.215 0.000) 7.399 2.809 ( 4.010 2.861 0.000) 4.926 3.022 ( -4.219 -5.915 0.000) 7.266 3.033 ( 1.638 4.385 0.000) 4.681 3.534 ( 2.619 1.788 0.000) 3.171 3.583 ( -2.029 2.404 0.000) 3.146 3.798 ( -1.896 3.613 0.000) 4.080 14.076 ( -0.178 -3.018 0.000) 3.023 14.103 ( 0.640 -5.934 0.000) 5.968 14.653 ( 1.335 1.736 0.000) 2.190 14.706 ( 1.494 -1.612 0.000) 2.198 16.849 ( -0.667 -5.989 0.000) 6.026 18.503 ( -0.150 5.545 0.000) 5.547 22.412 ( 0.781 -0.004 0.000) 0.781 22.459 ( -0.051 1.493 0.000) 1.494 22.558 ( 0.102 -7.745 0.000) 7.745 23.158 ( -23.079 -52.599 0.000) 57.439 23.604 ( 1.743 -4.761 0.000) 5.070 23.688 ( -3.343 -6.575 0.000) 7.376 24.167 ( 0.004 -0.546 0.000) 0.546 24.238 ( 5.335 1.308 0.000) 5.493 24.357 ( -3.336 0.094 0.000) 3.337 24.471 ( -0.964 2.436 0.000) 2.620 24.552 ( -1.603 -1.640 0.000) 2.293 24.818 ( -1.177 -5.575 0.000) 5.698 24.837 ( -1.474 -1.920 0.000) 2.421 24.918 ( -0.309 -1.266 0.000) 1.303 24.918 ( 0.229 -0.625 0.000) 0.666 25.891 ( 5.504 0.375 0.000) 5.517 26.217 ( 2.335 2.181 0.000) 3.196 26.277 ( 1.085 1.359 0.000) 1.739 26.301 ( -1.204 -0.939 0.000) 1.527 26.359 ( -0.779 2.736 0.000) 2.845 26.594 ( -3.150 3.081 0.000) 4.406 28.741 ( 80.131 112.892 0.000) 138.440 43.420 ( 0.295 -9.648 0.000) 9.653 43.986 ( -21.769 -33.442 0.000) 39.903 50.285 ( -0.508 -0.803 0.000) 0.950 50.634 ( 4.289 -1.793 0.000) 4.649 50.765 ( 21.491 18.101 0.000) 28.098 51.415 ( 0.034 -4.203 0.000) 4.203 59.383 ( -0.053 -0.730 0.000) 0.732 59.430 ( -2.909 1.837 0.000) 3.441 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 6.808 -13.486 0.000) 15.107 0.924 ( 14.641 -10.681 0.000) 18.123 1.499 ( -3.999 -1.199 0.000) 4.175 1.520 ( 0.208 -5.292 0.000) 5.297 1.605 ( 15.334 -19.539 0.000) 24.837 1.971 ( 4.304 2.642 0.000) 5.050 2.159 ( -15.468 1.337 0.000) 15.526 2.213 ( -12.505 -3.082 0.000) 12.879 2.272 ( -6.681 3.568 0.000) 7.575 2.573 ( 4.922 3.447 0.000) 6.009 2.669 ( 3.632 -0.991 0.000) 3.765 2.768 ( 5.352 5.059 0.000) 7.365 2.864 ( 5.508 -4.237 0.000) 6.949 3.022 ( 4.468 0.201 0.000) 4.473 3.088 ( -5.447 -4.551 0.000) 7.099 3.498 ( -2.625 4.655 0.000) 5.344 3.509 ( 2.985 2.920 0.000) 4.176 3.696 ( -4.718 4.314 0.000) 6.393 14.148 ( -0.268 -4.606 0.000) 4.613 14.259 ( 0.274 -9.567 0.000) 9.571 14.616 ( 1.575 3.239 0.000) 3.601 14.754 ( 1.737 -1.733 0.000) 2.454 17.002 ( -1.561 -10.756 0.000) 10.869 18.353 ( 0.568 10.191 0.000) 10.207 22.413 ( 0.450 0.415 0.000) 0.612 22.424 ( 0.331 2.003 0.000) 2.031 22.771 ( -0.505 -14.246 0.000) 14.255 23.711 ( -0.326 -7.041 0.000) 7.049 23.816 ( -4.214 -9.027 0.000) 9.963 23.911 ( -13.944 -39.755 0.000) 42.130 24.164 ( 2.214 2.616 0.000) 3.427 24.242 ( 1.532 1.480 0.000) 2.130 24.332 ( -2.328 -0.221 0.000) 2.338 24.426 ( 0.601 0.892 0.000) 1.075 24.616 ( 2.560 -5.212 0.000) 5.807 24.861 ( -2.029 -1.876 0.000) 2.763 24.906 ( -3.392 -5.417 0.000) 6.392 24.933 ( 0.239 -0.602 0.000) 0.648 24.942 ( -1.426 -1.734 0.000) 2.245 25.913 ( 3.252 1.005 0.000) 3.404 26.198 ( 2.602 2.017 0.000) 3.292 26.237 ( 3.854 5.481 0.000) 6.701 26.290 ( -1.098 2.564 0.000) 2.789 26.298 ( -1.497 0.072 0.000) 1.498 26.523 ( 0.628 3.111 0.000) 3.174 27.653 ( 45.734 61.040 0.000) 76.272 43.674 ( 0.005 -16.041 0.000) 16.041 44.312 ( -10.263 -16.287 0.000) 19.251 50.292 ( -2.298 -0.847 0.000) 2.449 50.588 ( 19.009 10.608 0.000) 21.769 50.888 ( -0.043 -13.428 0.000) 13.428 51.513 ( -0.060 -5.397 0.000) 5.397 59.374 ( -3.819 1.000 0.000) 3.948 59.397 ( -0.196 -0.711 0.000) 0.738 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 2.241 -13.318 0.000) 13.505 1.214 ( 12.770 -8.277 0.000) 15.217 1.463 ( -5.105 1.180 0.000) 5.239 1.628 ( 1.794 -5.680 0.000) 5.957 1.824 ( -9.658 1.371 0.000) 9.755 1.929 ( 6.240 7.854 0.000) 10.031 2.144 ( -6.873 -0.656 0.000) 6.904 2.202 ( 6.302 -12.448 0.000) 13.952 2.231 ( -12.909 -6.079 0.000) 14.268 2.552 ( 3.605 2.702 0.000) 4.505 2.706 ( 6.563 6.106 0.000) 8.964 2.713 ( 2.804 0.039 0.000) 2.804 2.994 ( 3.141 -5.749 0.000) 6.551 3.078 ( 6.056 -1.600 0.000) 6.264 3.103 ( -6.115 -1.548 0.000) 6.308 3.368 ( -3.205 6.493 0.000) 7.241 3.486 ( 3.809 1.533 0.000) 4.106 3.568 ( -6.574 4.309 0.000) 7.860 14.241 ( -0.702 -5.309 0.000) 5.355 14.450 ( -0.303 -9.803 0.000) 9.808 14.555 ( 1.547 4.326 0.000) 4.594 14.784 ( 1.650 0.305 0.000) 1.678 17.227 ( -2.233 -14.208 0.000) 14.383 18.131 ( 1.385 13.628 0.000) 13.699 22.395 ( 0.458 1.180 0.000) 1.266 22.402 ( -0.004 0.861 0.000) 0.861 23.072 ( -1.326 -17.397 0.000) 17.447 23.823 ( -1.628 -5.923 0.000) 6.143 23.921 ( -0.451 -1.432 0.000) 1.501 24.081 ( 1.977 6.069 0.000) 6.383 24.214 ( -4.549 -0.321 0.000) 4.560 24.281 ( -2.384 -2.449 0.000) 3.418 24.462 ( -0.396 -3.468 0.000) 3.491 24.518 ( -2.207 -22.397 0.000) 22.505 24.793 ( 4.598 -9.425 0.000) 10.487 24.874 ( -2.169 -1.160 0.000) 2.460 24.937 ( -0.686 -0.518 0.000) 0.860 24.956 ( -1.260 -0.835 0.000) 1.512 24.986 ( -6.409 -7.824 0.000) 10.114 25.912 ( 1.440 0.418 0.000) 1.499 26.128 ( 6.192 9.810 0.000) 11.601 26.176 ( 2.559 2.521 0.000) 3.592 26.254 ( 0.632 1.461 0.000) 1.592 26.275 ( -1.499 1.299 0.000) 1.983 26.483 ( 2.348 2.483 0.000) 3.417 26.985 ( 21.043 36.706 0.000) 42.310 44.000 ( -0.200 -17.404 0.000) 17.405 44.472 ( -3.960 -6.042 0.000) 7.224 50.278 ( -4.773 -0.561 0.000) 4.806 50.547 ( 14.389 7.621 0.000) 16.283 51.170 ( -0.532 -15.326 0.000) 15.335 51.593 ( -0.103 -2.325 0.000) 2.327 59.343 ( -3.201 -0.774 0.000) 3.294 59.404 ( -0.052 -0.134 0.000) 0.144 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -4.300 -0.960 0.000) 4.406 1.426 ( 10.180 -4.468 0.000) 11.117 1.433 ( -2.783 -6.770 0.000) 7.320 1.688 ( -9.684 2.152 0.000) 9.920 1.741 ( 4.344 8.768 0.000) 9.785 1.790 ( 5.286 -2.063 0.000) 5.674 2.165 ( -6.457 -5.246 0.000) 8.320 2.277 ( -10.552 -8.298 0.000) 13.424 2.428 ( 8.170 0.556 0.000) 8.189 2.554 ( 2.009 -4.001 0.000) 4.477 2.645 ( 7.297 5.661 0.000) 9.236 2.682 ( 2.234 5.617 0.000) 6.045 3.025 ( -8.596 1.419 0.000) 8.713 3.152 ( 2.844 -6.391 0.000) 6.995 3.167 ( 5.979 -2.489 0.000) 6.476 3.205 ( -3.788 7.704 0.000) 8.585 3.441 ( -6.708 3.229 0.000) 7.444 3.526 ( 4.420 -2.283 0.000) 4.975 14.336 ( -1.041 -5.372 0.000) 5.472 14.470 ( 1.292 5.366 0.000) 5.520 14.616 ( -0.865 -7.417 0.000) 7.468 14.755 ( 1.213 4.139 0.000) 4.313 17.503 ( -2.055 -16.281 0.000) 16.411 17.862 ( 1.861 15.631 0.000) 15.741 22.384 ( -0.265 0.766 0.000) 0.811 22.387 ( 0.404 0.126 0.000) 0.423 23.394 ( -1.941 -17.316 0.000) 17.425 23.770 ( 2.928 15.311 0.000) 15.589 23.915 ( -2.143 -5.236 0.000) 5.657 24.052 ( 1.784 1.659 0.000) 2.437 24.201 ( -5.653 -3.190 0.000) 6.491 24.295 ( 0.411 -0.684 0.000) 0.798 24.503 ( -6.684 -3.074 0.000) 7.357 24.787 ( 6.910 -1.234 0.000) 7.019 24.877 ( -0.898 -0.425 0.000) 0.993 24.911 ( 2.958 -3.376 0.000) 4.488 24.952 ( 1.268 -0.069 0.000) 1.270 24.959 ( -0.053 -0.031 0.000) 0.061 25.217 ( -12.862 -21.813 0.000) 25.323 25.909 ( 9.022 9.852 0.000) 13.359 25.969 ( -0.759 3.803 0.000) 3.878 26.121 ( 2.903 6.232 0.000) 6.874 26.228 ( -1.565 1.620 0.000) 2.253 26.240 ( 0.817 0.477 0.000) 0.946 26.460 ( 1.193 1.326 0.000) 1.784 26.593 ( 6.172 14.825 0.000) 16.059 44.303 ( 0.069 -13.770 0.000) 13.770 44.471 ( -1.031 4.168 0.000) 4.294 50.242 ( -6.741 -0.538 0.000) 6.762 50.510 ( 9.493 6.062 0.000) 11.264 51.429 ( -0.223 -11.355 0.000) 11.357 51.579 ( 0.006 4.014 0.000) 4.014 59.353 ( -1.699 -2.061 0.000) 2.671 59.404 ( 0.566 0.258 0.000) 0.622 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -5.406 7.808 0.000) 9.497 1.462 ( 5.136 13.975 0.000) 14.889 1.574 ( 3.971 1.071 0.000) 4.113 1.599 ( -4.176 -9.198 0.000) 10.102 1.626 ( -2.764 -1.484 0.000) 3.137 1.933 ( 3.575 -2.531 0.000) 4.380 2.194 ( -4.394 -1.866 0.000) 4.774 2.376 ( 5.304 6.460 0.000) 8.359 2.383 ( -5.868 -9.211 0.000) 10.921 2.566 ( 2.109 5.398 0.000) 5.795 2.602 ( 8.485 4.812 0.000) 9.754 2.657 ( -0.204 -2.445 0.000) 2.454 2.924 ( -7.868 1.948 0.000) 8.106 3.018 ( -4.717 8.243 0.000) 9.497 3.246 ( 4.247 -0.949 0.000) 4.351 3.300 ( 1.783 -6.955 0.000) 7.180 3.363 ( -4.377 -0.204 0.000) 4.382 3.620 ( 3.536 -3.844 0.000) 5.223 14.368 ( 0.704 6.045 0.000) 6.085 14.428 ( -0.992 -5.016 0.000) 5.114 14.643 ( 0.603 8.214 0.000) 8.237 14.715 ( -0.963 -3.594 0.000) 3.721 17.572 ( 1.644 16.082 0.000) 16.166 17.806 ( -1.221 -16.510 0.000) 16.555 22.374 ( -0.278 -0.038 0.000) 0.281 22.393 ( 0.225 -0.455 0.000) 0.507 23.456 ( 1.426 18.735 0.000) 18.789 23.689 ( -1.728 -14.785 0.000) 14.885 23.985 ( -1.546 -3.387 0.000) 3.723 23.988 ( 1.707 5.971 0.000) 6.210 24.251 ( -1.804 -4.325 0.000) 4.687 24.317 ( 1.250 -1.014 0.000) 1.610 24.484 ( -7.665 -1.512 0.000) 7.812 24.693 ( 2.527 11.672 0.000) 11.942 24.856 ( -0.880 2.980 0.000) 3.107 24.936 ( 0.992 1.627 0.000) 1.905 24.956 ( 0.601 0.494 0.000) 0.778 25.040 ( 6.856 -2.034 0.000) 7.151 25.493 ( -11.807 -16.320 0.000) 20.143 25.631 ( 9.789 21.955 0.000) 24.038 25.995 ( -4.133 -3.425 0.000) 5.367 26.034 ( 1.265 1.793 0.000) 2.194 26.212 ( -0.880 -0.813 0.000) 1.198 26.258 ( 0.345 -2.323 0.000) 2.349 26.452 ( -1.725 -0.681 0.000) 1.854 26.477 ( 1.322 2.254 0.000) 2.613 44.302 ( -0.024 12.843 0.000) 12.843 44.507 ( 0.869 -6.946 0.000) 7.000 50.202 ( -7.145 -0.967 0.000) 7.211 50.460 ( 5.000 5.041 0.000) 7.100 51.436 ( 0.186 10.899 0.000) 10.901 51.579 ( -0.006 -4.296 0.000) 4.296 59.385 ( -0.450 -1.783 0.000) 1.838 59.407 ( 1.237 -0.042 0.000) 1.238 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -3.632 11.931 0.000) 12.471 1.161 ( 2.344 18.628 0.000) 18.774 1.589 ( 1.281 1.731 0.000) 2.153 1.624 ( 1.340 1.687 0.000) 2.154 1.736 ( -4.027 -7.571 0.000) 8.575 1.761 ( -3.589 18.460 0.000) 18.806 2.249 ( 0.788 -4.832 0.000) 4.896 2.333 ( 3.268 0.204 0.000) 3.274 2.522 ( -1.090 -7.869 0.000) 7.944 2.586 ( 7.711 3.456 0.000) 8.450 2.598 ( 5.178 -4.854 0.000) 7.098 2.638 ( -1.680 2.971 0.000) 3.413 2.823 ( -5.528 7.973 0.000) 9.702 2.828 ( -7.883 1.939 0.000) 8.118 3.256 ( 2.191 2.320 0.000) 3.191 3.383 ( -1.699 -3.481 0.000) 3.874 3.436 ( 0.830 -6.134 0.000) 6.190 3.714 ( 1.843 -3.651 0.000) 4.090 14.255 ( 0.151 6.029 0.000) 6.031 14.455 ( 0.009 9.706 0.000) 9.706 14.519 ( -0.463 -3.370 0.000) 3.402 14.742 ( -0.617 -0.099 0.000) 0.625 17.284 ( 0.808 14.848 0.000) 14.870 18.100 ( -0.376 -14.634 0.000) 14.639 22.384 ( -0.146 -1.254 0.000) 1.262 22.403 ( 0.014 -0.330 0.000) 0.330 23.101 ( 0.372 18.559 0.000) 18.563 23.865 ( 0.574 7.729 0.000) 7.750 23.922 ( 0.039 -10.029 0.000) 10.029 24.009 ( -1.255 0.214 0.000) 1.273 24.317 ( 0.356 -2.957 0.000) 2.978 24.353 ( 2.266 -0.931 0.000) 2.450 24.441 ( -0.970 13.121 0.000) 13.157 24.474 ( -2.239 -1.803 0.000) 2.874 24.691 ( -0.929 15.150 0.000) 15.178 24.910 ( 0.195 1.466 0.000) 1.479 24.948 ( 0.267 0.778 0.000) 0.823 25.062 ( 2.940 3.231 0.000) 4.368 25.314 ( 7.696 15.728 0.000) 17.510 25.664 ( -5.663 -9.049 0.000) 10.675 26.002 ( -6.177 -1.717 0.000) 6.411 26.095 ( 0.578 -5.946 0.000) 5.974 26.243 ( -0.247 -2.859 0.000) 2.870 26.336 ( 2.330 -4.322 0.000) 4.909 26.456 ( -7.604 -3.407 0.000) 8.332 26.484 ( 0.604 -1.891 0.000) 1.986 44.005 ( 0.075 17.450 0.000) 17.450 44.581 ( 1.680 -0.008 0.000) 1.680 50.175 ( -5.381 -1.454 0.000) 5.574 50.397 ( 1.656 4.134 0.000) 4.453 51.183 ( 0.193 15.143 0.000) 15.144 51.595 ( 0.031 2.291 0.000) 2.291 59.405 ( 0.013 -0.398 0.000) 0.398 59.425 ( 1.179 -0.809 0.000) 1.430 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -0.000 15.338 0.000) 15.338 0.800 ( -0.000 20.159 0.000) 20.159 1.245 ( -0.000 28.725 0.000) 28.725 1.536 ( -0.000 7.214 0.000) 7.214 1.590 ( -0.000 1.862 0.000) 1.862 1.852 ( 0.000 -5.980 0.000) 5.980 2.339 ( 0.000 -4.444 0.000) 4.444 2.428 ( 0.000 -7.674 0.000) 7.674 2.547 ( -0.000 4.688 0.000) 4.688 2.583 ( -0.000 1.480 0.000) 1.480 2.639 ( 0.000 -2.676 0.000) 2.676 2.644 ( -0.000 7.071 0.000) 7.071 2.724 ( -0.000 1.591 0.000) 1.591 2.773 ( 0.000 -7.444 0.000) 7.444 3.193 ( -0.000 5.098 0.000) 5.098 3.446 ( 0.000 -3.417 0.000) 3.417 3.542 ( 0.000 -4.498 0.000) 4.498 3.785 ( 0.000 -2.992 0.000) 2.992 14.149 ( -0.000 4.938 0.000) 4.938 14.254 ( -0.000 10.078 0.000) 10.078 14.587 ( 0.000 -3.274 0.000) 3.274 14.720 ( -0.000 1.723 0.000) 1.723 17.031 ( -0.000 11.595 0.000) 11.595 18.345 ( 0.000 -10.908 0.000) 10.908 22.405 ( -0.000 0.070 0.000) 0.070 22.418 ( 0.000 -2.231 0.000) 2.231 22.779 ( -0.000 14.827 0.000) 14.827 23.713 ( -0.000 7.983 0.000) 7.983 23.908 ( -0.000 9.006 0.000) 9.006 24.084 ( 0.000 -6.058 0.000) 6.058 24.230 ( -0.000 5.872 0.000) 5.872 24.278 ( -0.000 24.566 0.000) 24.566 24.367 ( 0.000 -2.086 0.000) 2.086 24.420 ( 0.000 -3.530 0.000) 3.530 24.522 ( 0.000 -2.726 0.000) 2.726 24.884 ( -0.000 1.435 0.000) 1.435 24.931 ( -0.000 1.013 0.000) 1.013 24.992 ( -0.000 4.472 0.000) 4.472 25.172 ( -0.000 4.551 0.000) 4.551 25.760 ( 0.000 -3.559 0.000) 3.559 25.989 ( 0.000 -0.706 0.000) 0.706 26.207 ( 0.000 -4.675 0.000) 4.675 26.308 ( 0.000 -3.679 0.000) 3.679 26.420 ( -0.000 0.123 0.000) 0.123 26.492 ( 0.000 -8.173 0.000) 8.173 26.555 ( 0.000 -4.994 0.000) 4.994 43.674 ( -0.000 16.361 0.000) 16.361 44.547 ( -0.000 3.947 0.000) 3.947 50.179 ( 0.000 -1.449 0.000) 1.449 50.334 ( -0.000 2.946 0.000) 2.946 50.892 ( -0.000 14.536 0.000) 14.536 51.514 ( -0.000 5.479 0.000) 5.479 59.400 ( -0.000 0.761 0.000) 0.761 59.452 ( 0.000 -1.315 0.000) 1.315 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 20.882 0.000 0.000) 20.882 0.652 ( 20.890 0.000 0.000) 20.890 0.982 ( 30.274 0.000 0.000) 30.274 1.399 ( 3.026 0.000 0.000) 3.026 1.424 ( -3.027 -0.000 0.000) 3.027 2.026 ( 0.932 0.000 0.000) 0.932 2.111 ( -15.356 -0.000 0.000) 15.356 2.114 ( -15.275 -0.000 0.000) 15.275 2.355 ( -1.395 -0.000 0.000) 1.395 2.745 ( 0.385 0.000 0.000) 0.385 2.779 ( 5.270 0.000 0.000) 5.270 2.797 ( 5.780 0.000 0.000) 5.780 2.869 ( 4.686 0.000 0.000) 4.686 2.916 ( -3.554 -0.000 0.000) 3.554 3.041 ( -11.966 -0.000 0.000) 11.966 3.572 ( 2.667 0.000 0.000) 2.667 3.589 ( -2.426 -0.000 0.000) 2.426 3.854 ( 0.117 0.000 0.000) 0.117 14.038 ( -0.452 -0.000 0.000) 0.452 14.051 ( 0.875 0.000 0.000) 0.875 14.680 ( 1.504 0.000 0.000) 1.504 14.701 ( 1.644 0.000 0.000) 1.644 16.788 ( -0.416 -0.000 0.000) 0.416 18.554 ( -0.199 -0.000 0.000) 0.199 22.412 ( 1.077 0.000 0.000) 1.077 22.419 ( 1.074 0.000 0.000) 1.074 22.459 ( -0.162 -0.000 0.000) 0.162 22.500 ( 0.161 0.000 0.000) 0.161 23.577 ( 2.846 0.000 0.000) 2.846 23.601 ( -2.925 -0.000 0.000) 2.925 24.159 ( -0.169 -0.000 0.000) 0.169 24.295 ( 6.036 0.000 0.000) 6.036 24.326 ( -4.189 -0.000 0.000) 4.189 24.487 ( -1.247 -0.000 0.000) 1.247 24.512 ( -2.670 -0.000 0.000) 2.670 24.780 ( 2.439 0.000 0.000) 2.439 24.804 ( -1.877 -0.000 0.000) 1.877 24.907 ( 0.183 0.000 0.000) 0.183 24.915 ( 0.369 0.000 0.000) 0.369 25.927 ( 2.705 0.000 0.000) 2.705 26.245 ( 0.116 0.000 0.000) 0.116 26.291 ( 0.633 0.000 0.000) 0.633 26.293 ( 0.735 0.000 0.000) 0.735 26.383 ( -0.273 -0.000 0.000) 0.273 26.602 ( -1.859 -0.000 0.000) 1.859 30.778 ( 3.108 0.000 0.000) 3.108 43.329 ( -0.050 -0.000 0.000) 0.050 43.329 ( 0.490 0.000 0.000) 0.490 50.277 ( 0.029 0.000 0.000) 0.029 50.575 ( -0.045 -0.000 0.000) 0.045 51.262 ( 5.770 0.000 0.000) 5.770 51.373 ( 0.090 0.000 0.000) 0.090 59.375 ( 0.033 0.000 0.000) 0.033 59.444 ( -2.320 -0.000 0.000) 2.320 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 19.411 -0.520 0.000) 19.418 0.882 ( 18.999 -6.774 0.000) 20.171 1.398 ( 21.350 -15.511 0.000) 26.390 1.434 ( -1.991 -2.974 0.000) 3.578 1.449 ( 2.190 -2.727 0.000) 3.498 1.997 ( -7.851 -0.012 0.000) 7.851 2.015 ( -17.295 -1.942 0.000) 17.404 2.043 ( -8.477 -2.309 0.000) 8.786 2.331 ( 0.103 2.997 0.000) 2.999 2.702 ( 1.538 2.154 0.000) 2.647 2.718 ( 1.563 7.756 0.000) 7.912 2.838 ( 3.612 -2.380 0.000) 4.326 2.880 ( 4.676 2.560 0.000) 5.331 2.955 ( -3.911 -4.902 0.000) 6.271 3.004 ( -3.607 -3.269 0.000) 4.868 3.546 ( -2.700 2.481 0.000) 3.667 3.575 ( 2.519 1.688 0.000) 3.032 3.775 ( -1.095 6.433 0.000) 6.525 14.070 ( -0.471 -3.237 0.000) 3.271 14.114 ( 0.697 -5.682 0.000) 5.725 14.676 ( 1.538 1.701 0.000) 2.293 14.731 ( 1.644 -1.673 0.000) 2.345 16.837 ( -0.770 -5.472 0.000) 5.526 18.503 ( 0.204 5.224 0.000) 5.228 22.425 ( 0.892 0.270 0.000) 0.932 22.460 ( 0.218 1.235 0.000) 1.254 22.557 ( -0.271 -7.458 0.000) 7.463 22.931 ( -8.626 -44.309 0.000) 45.141 23.635 ( 2.076 -3.481 0.000) 4.053 23.635 ( -3.228 -5.782 0.000) 6.622 24.167 ( -0.041 -0.837 0.000) 0.838 24.301 ( -3.674 -0.621 0.000) 3.726 24.327 ( 5.736 1.928 0.000) 6.052 24.457 ( -0.715 1.857 0.000) 1.990 24.529 ( -1.277 -3.787 0.000) 3.997 24.805 ( -2.552 -1.743 0.000) 3.091 24.824 ( 1.047 -2.712 0.000) 2.908 24.915 ( 0.010 -0.674 0.000) 0.674 24.923 ( 0.367 -0.552 0.000) 0.663 25.929 ( -1.504 0.283 0.000) 1.530 26.237 ( 0.583 0.909 0.000) 1.080 26.294 ( 0.063 0.175 0.000) 0.186 26.294 ( 0.704 0.497 0.000) 0.862 26.356 ( 0.989 2.799 0.000) 2.968 26.583 ( 2.337 1.714 0.000) 2.899 29.599 ( 36.141 95.202 0.000) 101.831 43.426 ( 0.338 -9.424 0.000) 9.430 43.746 ( -10.202 -31.250 0.000) 32.874 50.276 ( -0.597 0.152 0.000) 0.616 50.649 ( 0.131 -7.632 0.000) 7.633 51.063 ( 15.217 18.669 0.000) 24.084 51.416 ( 0.040 -4.131 0.000) 4.131 59.382 ( -0.060 -0.603 0.000) 0.606 59.386 ( -2.658 2.931 0.000) 3.957 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 13.819 -5.749 0.000) 14.967 1.167 ( 16.424 -8.065 0.000) 18.297 1.437 ( -3.553 -0.638 0.000) 3.610 1.532 ( 1.107 -4.743 0.000) 4.870 1.740 ( -5.748 -3.408 0.000) 6.682 1.957 ( -10.610 -3.836 0.000) 11.282 2.004 ( 2.731 -11.432 0.000) 11.754 2.037 ( -5.269 -2.488 0.000) 5.827 2.225 ( 0.202 7.864 0.000) 7.866 2.625 ( 1.115 2.838 0.000) 3.049 2.721 ( 3.397 -1.342 0.000) 3.653 2.850 ( 4.786 4.301 0.000) 6.435 2.918 ( 0.521 -3.967 0.000) 4.001 3.011 ( -3.353 -3.840 0.000) 5.098 3.065 ( 1.577 -3.406 0.000) 3.754 3.454 ( -2.814 4.855 0.000) 5.612 3.551 ( 2.380 2.494 0.000) 3.447 3.626 ( -3.913 6.678 0.000) 7.740 14.142 ( -0.441 -4.520 0.000) 4.541 14.263 ( 0.210 -9.139 0.000) 9.142 14.640 ( 1.394 3.212 0.000) 3.501 14.779 ( 1.456 -1.758 0.000) 2.283 16.978 ( -1.369 -10.101 0.000) 10.194 18.363 ( 0.728 9.701 0.000) 9.728 22.420 ( 0.405 0.801 0.000) 0.898 22.429 ( 0.355 1.892 0.000) 1.925 22.762 ( -0.679 -13.815 0.000) 13.832 23.689 ( -4.072 -23.852 0.000) 24.197 23.748 ( -5.351 -23.058 0.000) 23.670 23.754 ( -3.557 -8.965 0.000) 9.645 24.181 ( 0.320 -0.148 0.000) 0.352 24.272 ( 1.855 7.176 0.000) 7.412 24.299 ( -1.756 -1.891 0.000) 2.580 24.441 ( 1.365 -0.064 0.000) 1.366 24.645 ( 1.340 -8.284 0.000) 8.392 24.824 ( -2.494 -2.145 0.000) 3.289 24.880 ( -0.688 -2.457 0.000) 2.551 24.931 ( -0.229 -0.978 0.000) 1.004 24.941 ( 0.780 -0.995 0.000) 1.265 25.903 ( -3.333 0.013 0.000) 3.333 26.221 ( 0.775 1.251 0.000) 1.471 26.276 ( -0.678 2.040 0.000) 2.150 26.283 ( -0.508 0.751 0.000) 0.907 26.307 ( 3.742 3.680 0.000) 5.248 26.573 ( 5.605 2.882 0.000) 6.302 28.239 ( 29.285 72.955 0.000) 78.613 43.674 ( 0.010 -15.783 0.000) 15.783 44.178 ( -6.778 -20.587 0.000) 21.674 50.257 ( -2.034 0.857 0.000) 2.207 50.830 ( 8.633 -0.171 0.000) 8.635 50.908 ( 5.421 -0.506 0.000) 5.444 51.512 ( -0.055 -5.325 0.000) 5.325 59.320 ( -2.986 1.277 0.000) 3.248 59.394 ( -0.174 -0.667 0.000) 0.689 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 7.772 -6.710 0.000) 10.268 1.394 ( -3.738 1.864 0.000) 4.177 1.414 ( 12.433 -5.585 0.000) 13.630 1.628 ( -13.457 0.937 0.000) 13.489 1.659 ( 1.900 -7.609 0.000) 7.842 1.977 ( -4.952 -2.279 0.000) 5.451 2.046 ( -2.600 2.056 0.000) 3.314 2.072 ( -5.333 -0.062 0.000) 5.333 2.326 ( 7.559 -12.655 0.000) 14.740 2.598 ( 1.969 2.264 0.000) 3.001 2.766 ( 4.294 0.580 0.000) 4.333 2.796 ( 4.685 4.989 0.000) 6.844 2.962 ( -6.582 -1.846 0.000) 6.836 3.069 ( 1.174 -4.091 0.000) 4.256 3.149 ( 3.114 -3.362 0.000) 4.583 3.320 ( -2.698 6.879 0.000) 7.390 3.473 ( -5.069 5.400 0.000) 7.407 3.535 ( 2.369 0.574 0.000) 2.438 14.231 ( -0.522 -5.031 0.000) 5.058 14.445 ( -0.236 -9.448 0.000) 9.451 14.576 ( 1.026 4.441 0.000) 4.557 14.806 ( 1.035 0.393 0.000) 1.108 17.197 ( -1.433 -13.911 0.000) 13.985 18.150 ( 0.999 13.149 0.000) 13.187 22.402 ( 0.315 1.159 0.000) 1.201 22.402 ( 0.007 1.138 0.000) 1.138 23.053 ( -0.985 -16.860 0.000) 16.889 23.803 ( -0.961 -4.963 0.000) 5.055 23.904 ( -1.562 -8.011 0.000) 8.162 24.094 ( 0.029 10.795 0.000) 10.795 24.175 ( -0.707 1.502 0.000) 1.660 24.234 ( -3.233 -9.193 0.000) 9.745 24.450 ( -0.854 -0.139 0.000) 0.865 24.477 ( -2.200 -25.351 0.000) 25.446 24.844 ( 1.863 -9.970 0.000) 10.142 24.848 ( -1.052 -1.828 0.000) 2.109 24.898 ( -2.173 -1.289 0.000) 2.527 24.948 ( -0.096 -0.880 0.000) 0.885 24.971 ( 1.402 -0.805 0.000) 1.616 25.893 ( -2.124 -1.470 0.000) 2.583 26.199 ( 1.881 6.504 0.000) 6.771 26.202 ( 1.041 1.496 0.000) 1.823 26.255 ( -0.956 1.816 0.000) 2.052 26.276 ( 1.943 2.236 0.000) 2.962 26.545 ( 4.809 4.512 0.000) 6.594 27.258 ( 13.106 47.173 0.000) 48.960 43.997 ( -0.124 -17.384 0.000) 17.384 44.422 ( -2.345 -8.487 0.000) 8.805 50.214 ( -3.119 1.332 0.000) 3.391 50.735 ( 9.128 9.973 0.000) 13.519 51.163 ( -0.375 -15.501 0.000) 15.506 51.591 ( -0.070 -2.342 0.000) 2.343 59.301 ( -2.040 -1.405 0.000) 2.477 59.403 ( -0.039 -0.407 0.000) 0.408 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -1.582 4.246 0.000) 4.531 1.418 ( 0.574 -6.957 0.000) 6.981 1.560 ( 5.756 -2.356 0.000) 6.219 1.563 ( -5.456 -1.942 0.000) 5.791 1.793 ( 1.890 12.584 0.000) 12.725 1.843 ( 1.617 -7.321 0.000) 7.498 2.089 ( -2.875 -4.817 0.000) 5.609 2.147 ( -5.091 -10.082 0.000) 11.294 2.527 ( 4.113 3.222 0.000) 5.224 2.571 ( 0.146 -5.179 0.000) 5.181 2.730 ( 3.406 7.122 0.000) 7.895 2.737 ( 3.713 4.517 0.000) 5.847 2.904 ( -6.014 1.173 0.000) 6.127 3.154 ( -2.129 8.455 0.000) 8.719 3.182 ( 1.002 -6.354 0.000) 6.433 3.233 ( 2.326 -2.895 0.000) 3.714 3.357 ( -3.355 2.889 0.000) 4.428 3.574 ( 1.627 -2.774 0.000) 3.216 14.324 ( -0.421 -5.168 0.000) 5.185 14.485 ( 0.503 5.489 0.000) 5.512 14.606 ( -0.347 -7.122 0.000) 7.130 14.769 ( 0.467 4.314 0.000) 4.339 17.480 ( -0.791 -16.378 0.000) 16.397 17.884 ( 0.763 15.344 0.000) 15.363 22.381 ( -0.101 0.876 0.000) 0.882 22.391 ( 0.165 0.155 0.000) 0.226 23.372 ( -0.790 -16.962 0.000) 16.980 23.807 ( 1.435 16.421 0.000) 16.484 23.892 ( -0.782 -5.031 0.000) 5.092 24.062 ( -0.451 -3.672 0.000) 3.699 24.136 ( -1.933 -0.731 0.000) 2.067 24.295 ( -0.194 -1.846 0.000) 1.856 24.432 ( -2.344 0.333 0.000) 2.368 24.845 ( 1.415 2.570 0.000) 2.933 24.869 ( -0.220 -0.568 0.000) 0.609 24.953 ( 2.563 -11.035 0.000) 11.329 24.961 ( 0.172 -0.384 0.000) 0.420 24.982 ( 0.848 -5.449 0.000) 5.515 25.069 ( -5.385 -13.588 0.000) 14.616 25.922 ( -1.098 -2.517 0.000) 2.746 26.034 ( 3.207 13.752 0.000) 14.121 26.155 ( 1.485 6.707 0.000) 6.870 26.204 ( -1.262 0.866 0.000) 1.531 26.251 ( 0.485 1.088 0.000) 1.192 26.485 ( 1.331 3.686 0.000) 3.919 26.667 ( 2.798 20.183 0.000) 20.376 44.304 ( 0.032 -14.107 0.000) 14.107 44.460 ( -0.390 3.286 0.000) 3.309 50.167 ( -2.664 1.038 0.000) 2.859 50.616 ( 3.734 7.721 0.000) 8.576 51.426 ( -0.085 -11.504 0.000) 11.504 51.579 ( 0.002 3.907 0.000) 3.907 59.334 ( -0.676 -2.768 0.000) 2.849 59.410 ( 0.218 -0.263 0.000) 0.342 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.000 8.320 0.000) 8.320 1.507 ( -0.000 16.594 0.000) 16.594 1.564 ( 0.000 -8.109 0.000) 8.109 1.605 ( 0.000 -3.339 0.000) 3.339 1.605 ( 0.000 -0.390 0.000) 0.390 1.955 ( -0.000 0.878 0.000) 0.878 2.163 ( 0.000 -4.537 0.000) 4.537 2.334 ( 0.000 -10.542 0.000) 10.542 2.420 ( -0.000 6.498 0.000) 6.498 2.595 ( -0.000 5.037 0.000) 5.037 2.654 ( 0.000 -1.336 0.000) 1.336 2.678 ( -0.000 3.491 0.000) 3.491 2.850 ( -0.000 2.281 0.000) 2.281 2.973 ( -0.000 9.302 0.000) 9.302 3.279 ( 0.000 -0.713 0.000) 0.713 3.314 ( 0.000 -6.878 0.000) 6.878 3.327 ( 0.000 -1.087 0.000) 1.087 3.648 ( 0.000 -3.927 0.000) 3.927 14.374 ( -0.000 6.187 0.000) 6.187 14.420 ( 0.000 -4.954 0.000) 4.954 14.648 ( -0.000 8.355 0.000) 8.355 14.707 ( 0.000 -3.487 0.000) 3.487 17.585 ( -0.000 16.056 0.000) 16.056 17.796 ( 0.000 -16.685 0.000) 16.685 22.372 ( 0.000 -0.021 0.000) 0.021 22.395 ( 0.000 -0.398 0.000) 0.398 23.467 ( -0.000 19.086 0.000) 19.086 23.675 ( 0.000 -14.811 0.000) 14.811 23.973 ( 0.000 -3.440 0.000) 3.440 24.002 ( -0.000 6.135 0.000) 6.135 24.234 ( 0.000 -6.022 0.000) 6.022 24.325 ( 0.000 -1.590 0.000) 1.590 24.423 ( 0.000 -0.996 0.000) 0.996 24.710 ( -0.000 11.686 0.000) 11.686 24.849 ( -0.000 3.301 0.000) 3.301 24.942 ( -0.000 1.836 0.000) 1.836 24.961 ( -0.000 0.415 0.000) 0.415 25.114 ( 0.000 -0.213 0.000) 0.213 25.386 ( 0.000 -17.404 0.000) 17.404 25.712 ( -0.000 20.609 0.000) 20.609 25.958 ( 0.000 -1.527 0.000) 1.527 26.043 ( -0.000 1.965 0.000) 1.965 26.204 ( 0.000 -1.015 0.000) 1.015 26.261 ( 0.000 -2.391 0.000) 2.391 26.440 ( -0.000 1.411 0.000) 1.411 26.489 ( -0.000 2.821 0.000) 2.821 44.301 ( -0.000 12.678 0.000) 12.678 44.514 ( 0.000 -7.503 0.000) 7.503 50.144 ( -0.000 0.033 0.000) 0.033 50.500 ( -0.000 5.869 0.000) 5.869 51.438 ( -0.000 10.810 0.000) 10.810 51.579 ( 0.000 -4.344 0.000) 4.344 59.381 ( 0.000 -2.069 0.000) 2.069 59.417 ( 0.000 -0.443 0.000) 0.443 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 20.144 0.000 0.000) 20.144 0.969 ( 20.194 0.000 0.000) 20.194 1.380 ( -2.430 -0.000 0.000) 2.430 1.420 ( 26.038 0.000 0.000) 26.038 1.446 ( 2.739 0.000 0.000) 2.739 1.861 ( -17.015 -0.000 0.000) 17.015 1.865 ( -16.869 -0.000 0.000) 16.869 2.009 ( -2.611 -0.000 0.000) 2.611 2.375 ( 3.420 0.000 0.000) 3.420 2.739 ( -1.097 -0.000 0.000) 1.097 2.814 ( -1.062 -0.000 0.000) 1.062 2.827 ( -15.112 -0.000 0.000) 15.112 2.864 ( 3.167 0.000 0.000) 3.167 2.891 ( 1.069 0.000 0.000) 1.069 2.945 ( 4.592 0.000 0.000) 4.592 3.549 ( -2.541 -0.000 0.000) 2.541 3.609 ( 2.022 0.000 0.000) 2.022 3.856 ( 0.076 0.000 0.000) 0.076 14.032 ( -0.403 -0.000 0.000) 0.403 14.064 ( 0.744 0.000 0.000) 0.744 14.703 ( 1.344 0.000 0.000) 1.344 14.726 ( 1.451 0.000 0.000) 1.451 16.781 ( -0.378 -0.000 0.000) 0.378 18.554 ( 0.200 0.000 0.000) 0.200 22.429 ( 0.950 0.000 0.000) 0.950 22.435 ( 0.945 0.000 0.000) 0.945 22.461 ( 0.452 0.000 0.000) 0.452 22.497 ( -0.443 -0.000 0.000) 0.443 23.560 ( -2.221 -0.000 0.000) 2.221 23.622 ( 2.696 0.000 0.000) 2.696 24.156 ( -0.153 -0.000 0.000) 0.153 24.264 ( -3.533 -0.000 0.000) 3.533 24.389 ( 5.625 0.000 0.000) 5.625 24.470 ( -0.701 -0.000 0.000) 0.701 24.475 ( -1.966 -0.000 0.000) 1.966 24.767 ( -2.738 -0.000 0.000) 2.738 24.810 ( 1.430 0.000 0.000) 1.430 24.911 ( 0.187 0.000 0.000) 0.187 24.920 ( 0.309 0.000 0.000) 0.309 25.907 ( -4.489 -0.000 0.000) 4.489 26.247 ( 0.102 0.000 0.000) 0.102 26.300 ( 0.553 0.000 0.000) 0.553 26.304 ( 0.641 0.000 0.000) 0.641 26.387 ( 0.731 0.000 0.000) 0.731 26.622 ( 3.854 0.000 0.000) 3.854 30.824 ( 2.729 0.000 0.000) 2.729 43.329 ( -0.044 -0.000 0.000) 0.044 43.337 ( 0.431 0.000 0.000) 0.431 50.278 ( 0.009 0.000 0.000) 0.009 50.574 ( -0.039 -0.000 0.000) 0.039 51.349 ( 5.120 0.000 0.000) 5.120 51.374 ( 0.079 0.000 0.000) 0.079 59.376 ( 0.029 0.000 0.000) 0.029 59.408 ( -2.089 -0.000 0.000) 2.089 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 20.087 1.836 0.000) 20.171 1.174 ( 18.611 -5.040 0.000) 19.282 1.386 ( -2.138 -1.937 0.000) 2.885 1.481 ( 1.774 -1.828 0.000) 2.548 1.647 ( -3.637 -1.422 0.000) 3.905 1.763 ( -16.908 -3.151 0.000) 17.199 1.817 ( 3.015 -10.144 0.000) 10.582 1.993 ( -2.460 -0.511 0.000) 2.513 2.360 ( 2.619 4.569 0.000) 5.266 2.663 ( -7.541 3.121 0.000) 8.161 2.723 ( 1.427 -0.361 0.000) 1.472 2.841 ( -2.801 -3.094 0.000) 4.174 2.930 ( 1.463 -0.236 0.000) 1.482 2.932 ( 0.770 -2.865 0.000) 2.967 2.985 ( 1.472 -3.325 0.000) 3.637 3.507 ( -2.119 2.587 0.000) 3.344 3.607 ( 1.483 1.578 0.000) 2.165 3.763 ( -0.471 8.268 0.000) 8.281 14.063 ( -0.356 -3.253 0.000) 3.272 14.123 ( 0.438 -5.460 0.000) 5.477 14.696 ( 1.014 1.677 0.000) 1.960 14.753 ( 1.063 -1.674 0.000) 1.983 16.827 ( -0.511 -5.022 0.000) 5.048 18.508 ( 0.346 5.005 0.000) 5.017 22.437 ( 0.584 0.507 0.000) 0.774 22.465 ( 0.322 1.322 0.000) 1.361 22.550 ( -0.505 -7.526 0.000) 7.543 22.848 ( -2.953 -37.926 0.000) 38.041 23.595 ( -1.928 -5.095 0.000) 5.448 23.663 ( 1.406 -2.243 0.000) 2.647 24.166 ( -0.036 -0.990 0.000) 0.991 24.253 ( -2.289 -1.282 0.000) 2.623 24.394 ( 2.236 3.599 0.000) 4.237 24.461 ( 1.640 0.591 0.000) 1.743 24.513 ( -0.677 -5.259 0.000) 5.302 24.764 ( -2.500 -1.779 0.000) 3.068 24.838 ( 0.629 -1.844 0.000) 1.949 24.917 ( 0.097 -0.493 0.000) 0.502 24.929 ( 0.289 -0.663 0.000) 0.723 25.870 ( -4.455 -0.103 0.000) 4.456 26.242 ( 0.125 0.598 0.000) 0.611 26.297 ( 0.243 0.670 0.000) 0.713 26.299 ( 0.122 0.981 0.000) 0.989 26.376 ( 0.955 1.761 0.000) 2.004 26.649 ( 4.755 0.690 0.000) 4.805 29.969 ( 14.193 77.783 0.000) 79.067 43.430 ( 0.222 -9.229 0.000) 9.232 43.643 ( -3.877 -26.863 0.000) 27.142 50.268 ( -0.400 0.992 0.000) 1.070 50.649 ( 0.001 -7.873 0.000) 7.873 51.236 ( 7.451 13.305 0.000) 15.250 51.416 ( 0.026 -4.068 0.000) 4.068 59.352 ( -1.626 3.462 0.000) 3.825 59.381 ( -0.039 -0.492 0.000) 0.493 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 16.698 -0.082 0.000) 16.698 1.396 ( -1.973 0.277 0.000) 1.992 1.412 ( 13.903 -5.358 0.000) 14.900 1.519 ( -16.646 0.085 0.000) 16.646 1.547 ( 0.693 -4.438 0.000) 4.492 1.743 ( -13.339 -7.830 0.000) 15.467 1.996 ( -1.442 -1.483 0.000) 2.068 2.132 ( 6.993 -13.256 0.000) 14.987 2.244 ( 1.113 8.712 0.000) 8.783 2.611 ( -1.853 -0.664 0.000) 1.968 2.779 ( 3.981 -2.408 0.000) 4.652 2.870 ( -4.622 -2.724 0.000) 5.365 2.904 ( 1.924 3.539 0.000) 4.029 3.001 ( 0.503 -3.745 0.000) 3.778 3.081 ( 0.586 -5.047 0.000) 5.081 3.420 ( -1.333 5.065 0.000) 5.237 3.578 ( 0.907 2.172 0.000) 2.354 3.584 ( -1.464 8.795 0.000) 8.916 14.137 ( -0.209 -4.477 0.000) 4.482 14.265 ( 0.076 -8.857 0.000) 8.857 14.656 ( 0.552 3.197 0.000) 3.244 14.796 ( 0.561 -1.763 0.000) 1.850 16.963 ( -0.541 -9.687 0.000) 9.702 18.372 ( 0.345 9.430 0.000) 9.436 22.425 ( 0.162 1.050 0.000) 1.062 22.433 ( 0.158 1.856 0.000) 1.863 22.753 ( -0.346 -13.583 0.000) 13.587 23.616 ( -2.934 -40.987 0.000) 41.091 23.714 ( -1.428 -8.556 0.000) 8.674 23.722 ( -0.320 -3.822 0.000) 3.836 24.183 ( 0.043 -0.417 0.000) 0.419 24.281 ( -0.616 -3.033 0.000) 3.095 24.290 ( 0.513 8.123 0.000) 8.140 24.461 ( 0.886 0.849 0.000) 1.227 24.659 ( 0.437 -9.561 0.000) 9.571 24.794 ( -1.072 -2.718 0.000) 2.922 24.875 ( -0.135 -1.389 0.000) 1.396 24.930 ( 0.019 -0.841 0.000) 0.841 24.952 ( 0.421 -1.512 0.000) 1.570 25.853 ( -2.093 -0.948 0.000) 2.297 26.227 ( 0.126 0.938 0.000) 0.946 26.269 ( -0.180 2.076 0.000) 2.083 26.280 ( -0.078 1.222 0.000) 1.224 26.340 ( 0.848 2.618 0.000) 2.752 26.654 ( 3.409 2.615 0.000) 4.296 28.541 ( 9.800 75.572 0.000) 76.205 43.674 ( 0.005 -15.616 0.000) 15.616 44.108 ( -2.270 -22.061 0.000) 22.178 50.234 ( -0.807 1.965 0.000) 2.125 50.865 ( 0.225 -14.011 0.000) 14.013 51.024 ( 4.853 13.365 0.000) 14.219 51.511 ( -0.022 -5.276 0.000) 5.276 59.287 ( -1.112 1.558 0.000) 1.914 59.392 ( -0.069 -0.636 0.000) 0.640 ======================= Grid point 33 (23/125) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.000 3.297 0.000) 3.297 1.331 ( 0.000 -2.747 0.000) 2.747 1.490 ( 0.000 -2.543 0.000) 2.543 1.537 ( 0.000 -2.738 0.000) 2.738 1.677 ( 0.000 -8.430 0.000) 8.430 1.880 ( 0.000 -10.662 0.000) 10.662 2.029 ( 0.000 -2.322 0.000) 2.322 2.058 ( -0.000 10.435 0.000) 10.435 2.391 ( 0.000 -11.145 0.000) 11.145 2.611 ( -0.000 1.216 0.000) 1.216 2.833 ( -0.000 0.807 0.000) 0.807 2.835 ( -0.000 4.354 0.000) 4.354 2.874 ( 0.000 -0.897 0.000) 0.897 3.081 ( 0.000 -4.581 0.000) 4.581 3.173 ( 0.000 -4.179 0.000) 4.179 3.297 ( -0.000 7.151 0.000) 7.151 3.431 ( -0.000 6.182 0.000) 6.182 3.554 ( -0.000 0.234 0.000) 0.234 14.226 ( 0.000 -4.934 0.000) 4.934 14.443 ( 0.000 -9.289 0.000) 9.289 14.584 ( -0.000 4.469 0.000) 4.469 14.814 ( -0.000 0.426 0.000) 0.426 17.186 ( 0.000 -13.802 0.000) 13.802 18.158 ( -0.000 12.970 0.000) 12.970 22.402 ( -0.000 1.246 0.000) 1.246 22.404 ( -0.000 1.154 0.000) 1.154 23.045 ( 0.000 -16.666 0.000) 16.666 23.795 ( 0.000 -4.574 0.000) 4.574 23.888 ( 0.000 -9.927 0.000) 9.927 24.094 ( -0.000 12.659 0.000) 12.659 24.172 ( -0.000 1.688 0.000) 1.688 24.204 ( 0.000 -12.705 0.000) 12.705 24.443 ( -0.000 1.162 0.000) 1.162 24.460 ( 0.000 -23.906 0.000) 23.906 24.841 ( 0.000 -2.216 0.000) 2.216 24.856 ( 0.000 -9.993 0.000) 9.993 24.884 ( -0.000 0.269 0.000) 0.269 24.947 ( 0.000 -0.926 0.000) 0.926 24.985 ( 0.000 -1.462 0.000) 1.462 25.874 ( 0.000 -1.983 0.000) 1.983 26.209 ( -0.000 4.832 0.000) 4.832 26.210 ( -0.000 0.853 0.000) 0.853 26.247 ( -0.000 2.388 0.000) 2.388 26.292 ( -0.000 2.598 0.000) 2.598 26.589 ( -0.000 5.415 0.000) 5.415 27.362 ( -0.000 50.460 0.000) 50.460 43.996 ( 0.000 -17.377 0.000) 17.377 44.403 ( 0.000 -9.339 0.000) 9.339 50.189 ( -0.000 2.077 0.000) 2.077 50.808 ( -0.000 10.821 0.000) 10.821 51.159 ( 0.000 -15.640 0.000) 15.640 51.591 ( 0.000 -2.348 0.000) 2.348 59.285 ( 0.000 -1.621 0.000) 1.621 59.403 ( 0.000 -0.512 0.000) 0.512 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 14.393 0.000 0.000) 14.393 1.267 ( 17.502 0.000 0.000) 17.502 1.368 ( 3.431 0.000 0.000) 3.431 1.476 ( 0.792 0.000 0.000) 0.792 1.591 ( -17.739 -0.000 0.000) 17.739 1.603 ( -16.084 -0.000 0.000) 16.084 1.744 ( 13.458 0.000 0.000) 13.458 1.972 ( -1.544 -0.000 0.000) 1.544 2.428 ( 2.384 0.000 0.000) 2.384 2.616 ( -9.831 -0.000 0.000) 9.831 2.720 ( -1.012 -0.000 0.000) 1.012 2.789 ( -1.153 -0.000 0.000) 1.153 2.897 ( 1.068 0.000 0.000) 1.068 2.913 ( 0.954 0.000 0.000) 0.954 2.998 ( 1.903 0.000 0.000) 1.903 3.519 ( -1.167 -0.000 0.000) 1.167 3.631 ( 0.737 0.000 0.000) 0.737 3.857 ( 0.025 0.000 0.000) 0.025 14.027 ( -0.160 -0.000 0.000) 0.160 14.072 ( 0.288 0.000 0.000) 0.288 14.718 ( 0.536 0.000 0.000) 0.536 14.742 ( 0.574 0.000 0.000) 0.574 16.777 ( -0.152 -0.000 0.000) 0.152 18.558 ( 0.176 0.000 0.000) 0.176 22.439 ( 0.376 0.000 0.000) 0.376 22.446 ( 0.373 0.000 0.000) 0.373 22.471 ( 0.748 0.000 0.000) 0.748 22.487 ( -0.742 -0.000 0.000) 0.742 23.536 ( -0.813 -0.000 0.000) 0.813 23.653 ( 1.131 0.000 0.000) 1.131 24.154 ( -0.063 -0.000 0.000) 0.063 24.225 ( -1.377 -0.000 0.000) 1.377 24.440 ( 0.660 0.000 0.000) 0.660 24.454 ( -0.747 -0.000 0.000) 0.747 24.481 ( 1.914 0.000 0.000) 1.914 24.728 ( -1.775 -0.000 0.000) 1.775 24.824 ( 0.451 0.000 0.000) 0.451 24.913 ( 0.075 0.000 0.000) 0.075 24.924 ( 0.119 0.000 0.000) 0.119 25.838 ( -2.945 -0.000 0.000) 2.945 26.248 ( 0.040 0.000 0.000) 0.040 26.307 ( 0.218 0.000 0.000) 0.218 26.311 ( 0.252 0.000 0.000) 0.252 26.396 ( 0.314 0.000 0.000) 0.314 26.681 ( 2.565 0.000 0.000) 2.565 30.855 ( 1.077 0.000 0.000) 1.077 43.328 ( -0.017 -0.000 0.000) 0.017 43.342 ( 0.170 0.000 0.000) 0.170 50.278 ( -0.001 -0.000 0.000) 0.001 50.574 ( -0.015 -0.000 0.000) 0.015 51.375 ( 0.031 0.000 0.000) 0.031 51.407 ( 2.034 0.000 0.000) 2.034 59.376 ( 0.012 0.000 0.000) 0.012 59.385 ( -0.838 -0.000 0.000) 0.838 ======================= Grid point 42 (25/125) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 -3.833 0.000) 3.833 1.396 ( 0.000 -3.723 0.000) 3.723 1.401 ( -0.000 5.401 0.000) 5.401 1.416 ( -0.000 1.520 0.000) 1.520 1.520 ( 0.000 -0.095 0.000) 0.095 1.529 ( 0.000 -5.667 0.000) 5.667 1.928 ( 0.000 -11.024 0.000) 11.024 1.971 ( 0.000 -0.595 0.000) 0.595 2.384 ( -0.000 5.270 0.000) 5.270 2.579 ( 0.000 -0.661 0.000) 0.661 2.741 ( 0.000 -2.530 0.000) 2.530 2.807 ( 0.000 -1.958 0.000) 1.958 2.940 ( 0.000 -1.845 0.000) 1.845 2.941 ( 0.000 -2.480 0.000) 2.480 3.003 ( 0.000 -1.301 0.000) 1.301 3.489 ( -0.000 2.647 0.000) 2.647 3.619 ( -0.000 1.523 0.000) 1.523 3.760 ( -0.000 8.851 0.000) 8.851 14.060 ( 0.000 -3.233 0.000) 3.233 14.126 ( 0.000 -5.371 0.000) 5.371 14.704 ( -0.000 1.669 0.000) 1.669 14.762 ( 0.000 -1.666 0.000) 1.666 16.823 ( 0.000 -4.845 0.000) 4.845 18.511 ( -0.000 4.936 0.000) 4.936 22.442 ( -0.000 0.601 0.000) 0.601 22.468 ( -0.000 1.493 0.000) 1.493 22.546 ( 0.000 -7.694 0.000) 7.694 22.827 ( 0.000 -35.780 0.000) 35.780 23.579 ( 0.000 -4.810 0.000) 4.810 23.674 ( 0.000 -1.706 0.000) 1.706 24.166 ( 0.000 -1.046 0.000) 1.046 24.235 ( 0.000 -1.573 0.000) 1.573 24.406 ( -0.000 3.874 0.000) 3.874 24.483 ( -0.000 0.713 0.000) 0.713 24.508 ( 0.000 -5.822 0.000) 5.822 24.741 ( 0.000 -2.021 0.000) 2.021 24.843 ( 0.000 -1.608 0.000) 1.608 24.917 ( 0.000 -0.465 0.000) 0.465 24.931 ( 0.000 -0.748 0.000) 0.748 25.831 ( 0.000 -0.437 0.000) 0.437 26.242 ( -0.000 0.570 0.000) 0.570 26.299 ( -0.000 0.794 0.000) 0.794 26.300 ( -0.000 1.225 0.000) 1.225 26.383 ( -0.000 1.522 0.000) 1.522 26.691 ( -0.000 0.248 0.000) 0.248 30.074 ( -0.000 72.011 0.000) 72.011 43.432 ( 0.000 -9.153 0.000) 9.153 43.614 ( 0.000 -25.291 0.000) 25.291 50.265 ( -0.000 1.323 0.000) 1.323 50.649 ( 0.000 -7.898 0.000) 7.898 51.294 ( -0.000 11.426 0.000) 11.426 51.417 ( 0.000 -4.043 0.000) 4.043 59.339 ( -0.000 3.597 0.000) 3.597 59.381 ( 0.000 -0.448 0.000) 0.448 ======================= Grid point 85 (26/125) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 0.000 0.000 17.529) 17.529 0.407 ( 0.000 0.000 21.134) 21.134 0.647 ( 0.000 0.000 33.077) 33.077 1.411 ( 0.000 0.000 0.200) 0.200 1.495 ( 0.000 0.000 1.531) 1.531 1.976 ( 0.000 0.000 0.465) 0.465 2.384 ( 0.000 0.000 -5.282) 5.282 2.422 ( 0.000 0.000 -4.213) 4.213 2.533 ( 0.000 0.000 4.014) 4.014 2.548 ( 0.000 0.000 -0.538) 0.538 2.597 ( 0.000 0.000 5.109) 5.109 2.761 ( 0.000 0.000 3.976) 3.976 2.812 ( 0.000 0.000 1.865) 1.865 2.856 ( 0.000 0.000 -3.555) 3.555 2.981 ( 0.000 0.000 -2.372) 2.372 3.491 ( 0.000 0.000 -2.645) 2.645 3.616 ( 0.000 0.000 -1.457) 1.457 3.832 ( 0.000 0.000 -1.999) 1.999 14.057 ( 0.000 0.000 2.359) 2.359 14.100 ( 0.000 0.000 5.442) 5.442 14.654 ( 0.000 0.000 -1.749) 1.749 14.668 ( 0.000 0.000 1.507) 1.507 16.853 ( 0.000 0.000 5.965) 5.965 18.512 ( 0.000 0.000 -5.268) 5.268 22.394 ( 0.000 0.000 0.150) 0.150 22.461 ( 0.000 0.000 -1.526) 1.526 22.556 ( 0.000 0.000 7.619) 7.619 23.590 ( 0.000 0.000 6.313) 6.313 23.620 ( 0.000 0.000 4.936) 4.936 23.985 ( 0.000 0.000 14.408) 14.408 24.146 ( 0.000 0.000 -1.642) 1.642 24.204 ( 0.000 0.000 2.077) 2.077 24.363 ( 0.000 0.000 -4.514) 4.514 24.506 ( 0.000 0.000 -0.645) 0.645 24.577 ( 0.000 0.000 -0.347) 0.347 24.732 ( 0.000 0.000 2.100) 2.100 24.906 ( 0.000 0.000 0.743) 0.743 24.914 ( 0.000 0.000 0.650) 0.650 25.201 ( 0.000 0.000 0.533) 0.533 25.811 ( 0.000 0.000 0.623) 0.623 26.001 ( 0.000 0.000 -0.654) 0.654 26.276 ( 0.000 0.000 -0.374) 0.374 26.377 ( 0.000 0.000 -1.330) 1.330 26.451 ( 0.000 0.000 -0.180) 0.180 26.629 ( 0.000 0.000 -6.397) 6.397 26.692 ( 0.000 0.000 -0.950) 0.950 43.420 ( 0.000 0.000 9.193) 9.193 44.512 ( 0.000 0.000 3.457) 3.457 50.204 ( 0.000 0.000 -1.031) 1.031 50.264 ( 0.000 0.000 -1.318) 1.318 50.662 ( 0.000 0.000 8.785) 8.785 51.412 ( 0.000 0.000 3.970) 3.970 59.380 ( 0.000 0.000 0.479) 0.479 59.475 ( 0.000 0.000 -1.086) 1.086 ======================= Grid point 86 (27/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 7.354 -10.752 10.882) 16.974 0.564 ( -1.141 -14.489 14.557) 20.571 0.970 ( 11.354 -21.326 21.251) 32.177 1.421 ( 0.144 -2.861 0.975) 3.026 1.546 ( -1.336 -3.420 0.348) 3.688 1.952 ( 1.669 3.013 0.514) 3.482 2.404 ( -3.220 -2.410 -4.466) 6.010 2.421 ( -9.670 0.584 -0.542) 9.702 2.432 ( 4.972 3.003 -3.820) 6.952 2.575 ( 7.665 1.978 -1.418) 8.042 2.626 ( -13.723 -5.267 5.497) 15.693 2.653 ( 0.391 6.988 2.717) 7.508 2.788 ( 2.239 3.712 1.688) 4.651 2.913 ( 10.825 0.584 -1.380) 10.929 3.037 ( -1.330 -4.494 -3.478) 5.837 3.483 ( 0.998 1.324 -2.005) 2.602 3.610 ( -0.644 0.319 0.374) 0.810 3.811 ( -1.580 1.456 -1.580) 2.667 14.088 ( 0.068 -2.865 1.944) 3.463 14.156 ( 0.490 -5.707 5.592) 8.005 14.636 ( 0.610 1.837 -0.752) 2.077 14.692 ( 0.536 -1.858 0.754) 2.076 16.909 ( -0.318 -5.875 5.487) 8.045 18.456 ( -0.142 5.690 -5.153) 7.678 22.503 ( 0.037 -6.148 3.556) 7.102 22.537 ( -0.683 -0.574 6.637) 6.696 22.555 ( 0.567 -6.337 2.006) 6.671 23.642 ( 0.804 -4.751 5.946) 7.653 23.722 ( -3.461 -11.776 3.005) 12.637 23.863 ( -16.349 -7.788 13.318) 22.479 24.181 ( -1.103 -0.012 1.664) 1.996 24.215 ( 0.222 -1.858 3.360) 3.846 24.355 ( -0.465 0.464 -4.133) 4.185 24.476 ( 0.135 3.231 -0.609) 3.291 24.560 ( -0.304 1.156 -0.469) 1.284 24.776 ( -0.098 -3.433 -2.271) 4.118 24.913 ( -0.158 -0.828 0.488) 0.974 24.920 ( 0.016 -0.579 0.378) 0.691 25.086 ( -15.616 -2.742 5.532) 16.792 25.815 ( 3.130 1.029 0.337) 3.312 26.077 ( 14.095 2.975 -3.299) 14.778 26.248 ( 0.327 2.365 -1.168) 2.658 26.354 ( -0.791 2.161 -1.213) 2.601 26.382 ( -7.515 -0.915 1.540) 7.726 26.635 ( -2.353 4.367 -1.090) 5.079 26.849 ( 58.973 18.623 -18.495) 64.550 43.481 ( 0.092 -6.823 6.767) 9.610 44.430 ( -10.903 -1.618 3.860) 11.678 50.249 ( 13.577 3.189 -3.261) 14.322 50.277 ( 0.019 -1.293 -1.367) 1.882 50.733 ( 0.109 -7.078 7.029) 9.975 51.478 ( -0.221 -4.507 4.172) 6.145 59.387 ( 0.009 -0.704 0.378) 0.799 59.459 ( -1.724 0.910 -0.966) 2.176 ======================= Grid point 87 (28/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 8.655 -13.503 5.314) 16.896 0.862 ( -1.959 -17.044 8.509) 19.150 1.470 ( 3.996 -8.586 2.647) 9.833 1.484 ( 6.631 -13.776 4.668) 15.985 1.612 ( -1.854 -5.106 3.066) 6.238 1.899 ( 4.531 4.688 0.627) 6.550 2.319 ( -6.249 4.021 -1.416) 7.565 2.366 ( -6.049 2.598 -0.465) 6.600 2.405 ( -7.507 0.062 -1.820) 7.725 2.546 ( 2.324 0.371 -3.142) 3.926 2.592 ( -7.759 -1.469 1.973) 8.140 2.659 ( 6.079 -1.014 -6.311) 8.821 2.713 ( 3.964 6.265 0.482) 7.429 3.011 ( 10.436 -2.324 6.436) 12.479 3.087 ( -2.022 -1.759 -6.573) 7.098 3.453 ( 1.097 2.487 -0.482) 2.760 3.596 ( -0.994 0.570 4.987) 5.117 3.754 ( -3.414 2.375 -0.447) 4.183 14.162 ( -0.210 -4.787 1.480) 5.015 14.310 ( 0.617 -9.399 5.314) 10.815 14.594 ( 1.114 3.214 -0.373) 3.422 14.739 ( 1.042 -2.130 1.054) 2.594 17.062 ( -1.151 -10.503 4.104) 11.335 18.300 ( 0.191 10.418 -4.770) 11.459 22.509 ( 0.164 1.519 9.155) 9.282 22.559 ( -0.561 -0.380 12.809) 12.827 22.774 ( -0.248 -15.034 -0.108) 15.036 23.759 ( -0.080 -6.529 4.492) 7.925 23.897 ( -1.940 -8.420 2.164) 8.908 24.111 ( -5.498 -15.382 -0.029) 16.335 24.147 ( 2.126 -0.349 2.058) 2.979 24.289 ( -4.421 -7.890 4.211) 9.977 24.348 ( -1.201 -1.518 -1.107) 2.230 24.407 ( 0.139 2.728 -1.584) 3.158 24.553 ( 3.194 -0.497 -0.793) 3.328 24.838 ( -1.682 -3.541 -3.489) 5.248 24.930 ( -0.102 -0.494 -0.165) 0.530 24.937 ( -1.251 -2.132 -0.918) 2.637 25.074 ( -8.566 -4.715 2.822) 10.177 25.812 ( 6.221 3.258 -0.713) 7.059 26.100 ( 8.731 3.323 -2.207) 9.599 26.184 ( 0.708 5.331 -2.275) 5.839 26.289 ( -1.687 3.004 -1.210) 3.651 26.347 ( -3.390 0.673 0.512) 3.493 26.527 ( -1.758 4.284 -1.169) 4.776 26.792 ( 33.901 21.987 -10.837) 41.835 43.672 ( 0.114 -12.495 0.208) 12.498 44.427 ( -6.529 -3.704 -4.053) 8.531 50.281 ( 13.346 4.024 -2.419) 14.148 50.307 ( -1.084 -2.130 -1.473) 2.808 50.917 ( -0.261 -11.847 2.776) 12.170 51.550 ( -0.403 -3.165 2.434) 4.013 59.401 ( -0.089 -0.603 0.150) 0.628 59.421 ( -2.763 0.947 -0.655) 2.993 ======================= Grid point 88 (29/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 8.211 -10.655 4.313) 14.126 1.167 ( -2.810 -16.620 5.202) 17.641 1.477 ( -1.172 0.123 -4.619) 4.767 1.666 ( -2.067 -2.297 3.856) 4.941 1.839 ( 5.863 1.774 1.150) 6.233 1.852 ( 3.340 -2.589 0.049) 4.226 2.208 ( -2.656 -0.329 0.817) 2.798 2.267 ( -7.096 0.292 1.492) 7.257 2.375 ( -7.953 -2.790 -3.974) 9.318 2.540 ( -0.476 1.449 0.472) 1.596 2.586 ( 1.630 2.526 -1.152) 3.219 2.644 ( 2.851 0.856 -3.041) 4.255 2.733 ( 5.420 -1.830 -9.882) 11.419 3.062 ( -2.815 2.086 -9.541) 10.164 3.159 ( 9.090 -4.425 10.347) 14.466 3.420 ( 1.413 1.476 2.149) 2.965 3.564 ( -1.486 1.883 9.053) 9.366 3.671 ( -5.342 2.716 1.240) 6.119 14.260 ( -0.692 -5.641 1.058) 5.781 14.500 ( 0.425 -8.739 4.482) 9.831 14.534 ( 1.167 3.286 0.089) 3.488 14.775 ( 1.314 -0.346 1.747) 2.213 17.280 ( -2.176 -13.452 1.998) 13.772 18.073 ( 1.033 13.660 -3.962) 14.261 22.490 ( 0.405 0.669 10.313) 10.343 22.542 ( -0.778 1.153 13.416) 13.488 23.096 ( -0.942 -18.485 0.615) 18.519 23.863 ( -0.631 -3.220 1.833) 3.759 23.978 ( -0.338 1.391 5.136) 5.332 24.048 ( 2.649 3.605 0.928) 4.568 24.285 ( -2.705 -1.114 -0.276) 2.939 24.316 ( -1.539 -0.197 -0.056) 1.553 24.435 ( 0.706 -8.482 -2.385) 8.839 24.512 ( 3.081 -5.272 -0.605) 6.136 24.720 ( 2.402 -12.665 -0.146) 12.892 24.882 ( -2.299 -2.516 -2.136) 4.022 24.934 ( -1.228 -0.606 -1.324) 1.905 24.968 ( -3.142 -2.364 -2.013) 4.417 25.136 ( -9.867 -10.996 -0.739) 14.793 25.777 ( 9.834 7.114 -2.754) 12.446 26.053 ( 0.036 6.901 -3.179) 7.598 26.092 ( 6.161 4.491 -2.298) 7.963 26.237 ( -0.216 1.615 -0.955) 1.888 26.300 ( -1.676 2.148 -0.283) 2.739 26.461 ( -0.274 1.918 -1.107) 2.231 26.613 ( 14.432 14.844 -4.600) 21.208 43.933 ( -0.015 -14.030 -6.893) 15.632 44.431 ( -3.121 0.108 -10.280) 10.744 50.306 ( 12.346 3.645 -1.848) 13.005 50.334 ( -3.655 -2.469 -1.557) 4.678 51.158 ( -0.411 -12.985 -2.010) 13.146 51.581 ( -0.339 0.043 -1.910) 1.940 59.389 ( -2.757 0.022 -0.349) 2.779 59.404 ( -0.012 0.272 -0.019) 0.273 ======================= Grid point 89 (30/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 6.179 -6.426 2.571) 9.278 1.394 ( -4.037 -3.639 1.328) 5.595 1.502 ( -1.347 -8.928 1.034) 9.088 1.694 ( 3.279 -1.575 0.377) 3.657 1.711 ( 3.960 11.613 3.710) 12.818 1.798 ( -8.173 3.927 -3.611) 9.760 2.267 ( -6.823 -5.671 -0.841) 8.912 2.300 ( 7.898 0.590 0.254) 7.924 2.373 ( -7.179 -4.648 -5.173) 9.995 2.461 ( 5.644 7.815 -3.527) 10.264 2.607 ( -1.861 -4.670 3.424) 6.082 2.659 ( 1.243 1.178 -1.351) 2.181 2.825 ( 4.835 -4.078 -12.370) 13.893 2.959 ( -4.116 5.433 -11.446) 13.322 3.311 ( 7.910 -4.220 11.158) 14.314 3.411 ( -2.840 0.730 6.245) 6.899 3.519 ( 2.778 1.558 8.377) 8.962 3.575 ( -6.503 2.213 3.550) 7.733 14.360 ( -1.273 -5.627 0.675) 5.809 14.452 ( 1.614 5.132 0.346) 5.390 14.666 ( -0.658 -7.234 3.625) 8.118 14.760 ( 1.182 3.236 2.651) 4.347 17.535 ( -2.560 -15.011 -0.403) 15.233 17.807 ( 2.023 15.178 -2.513) 15.517 22.491 ( 0.585 -0.413 11.311) 11.334 22.512 ( -0.735 1.162 12.336) 12.412 23.440 ( -2.044 -18.236 1.340) 18.399 23.739 ( 2.812 14.513 1.618) 14.871 23.987 ( -2.149 -3.836 3.222) 5.451 24.032 ( 1.625 2.069 1.605) 3.082 24.281 ( 0.636 -0.156 0.756) 1.001 24.298 ( -1.877 0.414 1.229) 2.281 24.597 ( -6.329 -8.324 -2.141) 10.673 24.613 ( 10.134 0.335 -2.410) 10.422 24.851 ( 1.280 -1.232 -2.447) 3.023 24.881 ( -2.487 0.505 -2.093) 3.289 24.949 ( -0.401 -1.205 -0.031) 1.271 24.965 ( -1.526 0.243 -0.467) 1.614 25.389 ( -13.322 -21.986 -4.571) 26.110 25.660 ( 13.511 15.840 -4.636) 21.329 25.971 ( -2.082 -0.727 -3.578) 4.203 26.029 ( 4.229 6.192 -3.729) 8.375 26.225 ( 0.979 0.030 -0.183) 0.997 26.249 ( -1.146 1.683 0.049) 2.037 26.446 ( -0.364 -0.614 -1.124) 1.331 26.486 ( 3.483 5.494 -1.568) 6.692 44.182 ( 0.152 -11.501 -11.966) 16.598 44.357 ( -1.088 6.128 -13.215) 14.607 50.330 ( 10.228 3.089 -1.641) 10.810 50.342 ( -7.060 -2.679 -1.592) 7.717 51.382 ( -0.182 -10.269 -5.143) 11.486 51.531 ( -0.127 5.154 -5.099) 7.251 59.380 ( -1.800 -0.974 -0.163) 2.053 59.393 ( 0.640 1.083 -0.100) 1.262 ======================= Grid point 95 (31/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 7.798 0.000 15.383) 17.247 0.475 ( 14.621 0.000 12.689) 19.360 0.860 ( 21.332 0.000 26.028) 33.653 1.409 ( 0.581 0.000 1.952) 2.036 1.481 ( -1.617 -0.000 1.828) 2.441 1.996 ( 2.186 0.000 0.294) 2.206 2.351 ( -9.435 -0.000 -0.057) 9.435 2.365 ( -6.329 -0.000 -2.155) 6.686 2.401 ( -14.343 -0.000 2.400) 14.542 2.555 ( 8.891 0.000 -5.836) 10.635 2.675 ( 5.771 0.000 0.192) 5.774 2.753 ( 1.046 0.000 2.217) 2.452 2.861 ( 4.788 0.000 3.978) 6.225 2.927 ( -0.820 -0.000 -3.749) 3.837 3.004 ( 4.971 0.000 -5.247) 7.229 3.509 ( 2.132 0.000 -2.587) 3.352 3.604 ( -1.470 -0.000 -1.520) 2.114 3.811 ( -2.082 -0.000 -2.563) 3.302 14.067 ( 1.062 0.000 2.504) 2.719 14.099 ( -0.204 -0.000 5.516) 5.520 14.662 ( 1.055 0.000 -1.762) 2.054 14.677 ( 1.041 0.000 1.543) 1.862 16.850 ( -0.377 -0.000 5.876) 5.888 18.509 ( -0.364 -0.000 -5.256) 5.269 22.399 ( 0.589 0.000 0.060) 0.592 22.458 ( -0.295 -0.000 -1.412) 1.443 22.559 ( 0.318 0.000 7.537) 7.544 23.393 ( -31.128 -0.000 46.083) 55.611 23.608 ( 2.336 0.000 6.773) 7.164 23.697 ( -7.427 -0.000 8.239) 11.093 24.145 ( -0.065 -0.000 -1.592) 1.593 24.240 ( 3.540 0.000 2.246) 4.193 24.348 ( -1.814 -0.000 -3.755) 4.170 24.516 ( 0.289 0.000 1.000) 1.041 24.548 ( -3.194 -0.000 -0.510) 3.235 24.756 ( 2.547 0.000 1.780) 3.107 24.900 ( -1.971 -0.000 2.445) 3.141 24.916 ( 0.264 0.000 0.659) 0.710 24.936 ( -7.798 -0.000 6.173) 9.945 25.855 ( 4.999 0.000 0.331) 5.010 26.185 ( 5.503 0.000 -3.832) 6.705 26.278 ( 0.284 0.000 -0.470) 0.549 26.321 ( -3.308 -0.000 1.810) 3.771 26.373 ( -0.672 -0.000 -1.628) 1.762 26.650 ( -4.751 -0.000 -1.236) 4.909 27.993 ( 106.554 0.000 -99.299) 145.651 43.420 ( -0.008 -0.000 9.212) 9.212 44.216 ( -27.496 -0.000 27.747) 39.063 50.267 ( 0.433 0.000 -0.986) 1.076 50.503 ( 26.644 0.000 -18.923) 32.680 50.672 ( 2.805 0.000 6.550) 7.125 51.413 ( 0.100 0.000 4.002) 4.003 59.380 ( 0.078 0.000 0.520) 0.526 59.451 ( -2.654 -0.000 -1.338) 2.972 ======================= Grid point 96 (32/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 8.656 -9.502 9.472) 15.967 0.655 ( 15.571 -7.505 7.608) 18.885 1.228 ( 19.841 -16.974 16.924) 31.116 1.427 ( 0.619 -1.716 0.665) 1.941 1.517 ( -1.997 -3.686 2.257) 4.761 1.991 ( 2.592 2.104 0.100) 3.340 2.232 ( -13.263 -0.311 0.269) 13.269 2.338 ( -17.358 -2.123 1.935) 17.594 2.353 ( -3.529 -0.753 -2.658) 4.481 2.589 ( 8.139 3.788 -3.995) 9.826 2.635 ( 0.733 5.220 -1.888) 5.599 2.707 ( 5.719 2.229 -1.347) 6.284 2.843 ( 3.872 3.867 1.906) 5.794 2.994 ( -2.299 -4.700 -1.748) 5.516 3.052 ( 4.729 -1.596 1.083) 5.107 3.507 ( 1.712 1.943 -2.418) 3.543 3.593 ( -1.273 -0.077 0.571) 1.397 3.771 ( -3.204 2.185 -2.358) 4.539 14.089 ( 0.063 -2.413 2.243) 3.295 14.167 ( 0.784 -6.019 5.599) 8.258 14.653 ( 1.490 1.825 -0.645) 2.443 14.707 ( 1.355 -1.887 0.637) 2.409 16.900 ( -0.817 -5.527 5.313) 7.710 18.453 ( -0.170 5.460 -5.165) 7.518 22.505 ( 0.163 -5.394 3.763) 6.579 22.525 ( -0.814 -3.373 4.061) 5.342 22.564 ( 0.438 -3.678 3.824) 5.324 23.470 ( -20.705 -27.429 28.577) 44.696 23.665 ( 1.544 -3.933 5.613) 7.025 23.727 ( -2.282 -6.410 4.762) 8.305 24.164 ( -0.650 -1.698 -0.259) 1.836 24.260 ( 4.561 1.159 2.033) 5.126 24.335 ( -2.033 -0.254 -2.690) 3.382 24.470 ( -0.958 3.353 -0.164) 3.491 24.545 ( -1.349 -1.198 -0.193) 1.815 24.784 ( 1.059 -1.238 -0.621) 1.743 24.903 ( -1.756 -1.737 2.315) 3.385 24.922 ( 0.292 -0.407 0.503) 0.710 24.936 ( -3.831 -3.203 3.058) 5.856 25.890 ( 5.266 0.667 -0.172) 5.311 26.198 ( 3.564 1.699 -1.914) 4.387 26.258 ( 1.005 1.835 -1.248) 2.437 26.313 ( -2.210 0.226 0.128) 2.225 26.342 ( -1.492 1.867 -1.378) 2.759 26.581 ( -3.501 3.005 -1.423) 4.828 27.970 ( 70.685 55.695 -56.907) 106.474 43.484 ( 0.235 -6.904 6.738) 9.650 44.189 ( -16.815 -12.065 14.155) 25.073 50.277 ( 0.036 -0.670 -0.741) 1.000 50.554 ( 21.052 9.537 -9.843) 25.120 50.742 ( 2.111 -5.302 5.267) 7.766 51.472 ( -0.472 -4.279 4.066) 5.921 59.387 ( 0.016 -0.615 0.452) 0.764 59.415 ( -3.434 1.084 -1.161) 3.784 ======================= Grid point 97 (33/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 4.586 -12.436 6.080) 14.582 0.954 ( 13.799 -10.706 3.867) 17.888 1.456 ( -1.159 -1.190 -2.225) 2.777 1.580 ( -1.565 -4.219 3.917) 5.965 1.684 ( 12.195 -14.545 6.809) 20.165 1.970 ( 3.564 2.282 -0.102) 4.234 2.147 ( -13.186 -0.443 -0.275) 13.197 2.226 ( -12.517 -1.759 0.457) 12.649 2.287 ( -5.498 4.151 1.386) 7.027 2.569 ( 3.925 2.086 -0.915) 4.538 2.604 ( 3.206 -0.364 -4.573) 5.597 2.744 ( 4.602 -0.392 -7.140) 8.503 2.781 ( 4.128 5.561 -0.766) 6.969 3.036 ( -3.565 -1.932 -4.071) 5.746 3.147 ( 6.494 -3.752 8.036) 10.992 3.465 ( 0.005 2.722 -0.612) 2.790 3.584 ( -0.084 0.680 4.601) 4.652 3.684 ( -5.396 3.250 -1.054) 6.387 14.157 ( -0.417 -4.543 1.374) 4.765 14.321 ( 0.644 -9.036 5.701) 10.703 14.617 ( 1.716 3.225 -0.223) 3.660 14.760 ( 1.560 -2.131 0.818) 2.765 17.039 ( -1.766 -9.890 3.846) 10.758 18.305 ( 0.500 9.924 -4.849) 11.057 22.513 ( 0.361 1.344 9.145) 9.251 22.547 ( -0.888 -0.202 11.509) 11.545 22.768 ( -0.526 -14.711 -0.195) 14.722 23.756 ( -0.357 -5.947 4.143) 7.256 23.861 ( -2.524 -8.431 5.034) 10.138 23.969 ( -10.714 -31.331 6.388) 33.723 24.184 ( 1.143 0.269 2.013) 2.330 24.260 ( 0.845 1.080 1.815) 2.275 24.327 ( -1.427 -0.450 -0.651) 1.632 24.411 ( 0.449 1.178 -1.758) 2.163 24.595 ( 2.164 -4.465 -1.703) 5.246 24.816 ( -0.984 -1.944 -2.576) 3.374 24.918 ( -0.870 -0.548 -0.374) 1.094 24.937 ( 0.567 -0.819 0.470) 1.102 24.974 ( -4.501 -3.721 2.731) 6.447 25.900 ( 3.204 1.767 -1.381) 3.911 26.185 ( 3.128 2.587 -1.524) 4.335 26.212 ( 3.172 5.735 -2.522) 7.022 26.257 ( -1.865 1.463 -2.157) 3.205 26.313 ( -1.504 0.767 0.356) 1.725 26.509 ( 0.205 2.913 -1.328) 3.208 27.391 ( 39.328 46.057 -23.742) 65.051 43.675 ( 0.182 -12.332 0.396) 12.339 44.308 ( -8.042 -9.051 -0.781) 12.133 50.285 ( -1.682 -0.624 -0.631) 1.902 50.534 ( 17.932 8.145 -4.801) 20.272 50.913 ( -0.307 -11.430 2.645) 11.736 51.542 ( -0.599 -3.279 1.984) 3.879 59.367 ( -3.836 0.649 -0.555) 3.930 59.399 ( -0.124 -0.556 0.260) 0.626 ======================= Grid point 98 (34/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.292 -11.939 2.748) 12.319 1.248 ( 11.482 -9.247 3.694) 15.198 1.455 ( -1.690 0.128 -1.181) 2.065 1.647 ( -0.298 -3.958 2.290) 4.582 1.788 ( -10.076 2.324 -3.639) 10.962 1.944 ( 5.912 6.113 1.319) 8.606 2.141 ( -7.518 -2.741 -0.403) 8.012 2.171 ( -7.563 -2.797 -1.079) 8.136 2.302 ( 3.313 -9.323 5.340) 11.243 2.560 ( 2.910 1.990 0.462) 3.555 2.647 ( 4.508 1.163 -5.072) 6.885 2.689 ( 3.154 4.478 -3.203) 6.345 2.804 ( 3.674 -1.881 -10.959) 11.710 3.004 ( -4.495 2.179 -7.272) 8.823 3.284 ( 6.858 -4.765 11.717) 14.388 3.413 ( -2.498 1.960 3.664) 4.848 3.563 ( -1.560 2.142 4.039) 4.831 3.576 ( -3.696 2.425 3.559) 5.676 14.247 ( -0.859 -5.280 0.898) 5.424 14.502 ( -0.026 -9.242 5.057) 10.536 14.557 ( 1.689 4.380 0.065) 4.695 14.798 ( 1.465 -0.209 1.460) 2.079 17.243 ( -2.445 -13.104 1.711) 13.440 18.091 ( 1.328 13.025 -4.048) 13.704 22.497 ( 0.517 0.599 10.387) 10.417 22.529 ( -0.873 1.057 12.215) 12.291 23.078 ( -1.265 -17.872 0.727) 17.931 23.855 ( -0.348 -4.421 2.945) 5.324 23.965 ( -1.506 -2.375 4.574) 5.370 24.087 ( 2.020 7.161 0.880) 7.492 24.222 ( -4.317 -1.998 1.075) 4.877 24.302 ( -0.801 -0.795 1.610) 1.966 24.438 ( -0.343 -4.082 -2.416) 4.755 24.525 ( -1.874 -19.660 0.764) 19.764 24.764 ( 2.532 -11.057 -2.806) 11.686 24.841 ( -1.488 -1.781 -2.842) 3.669 24.910 ( -1.083 0.297 -2.072) 2.357 24.955 ( 0.360 -0.507 0.081) 0.627 25.010 ( -5.722 -5.007 1.325) 7.719 25.883 ( 2.045 1.592 -3.164) 4.090 26.082 ( 4.379 9.567 -4.526) 11.454 26.164 ( 3.243 3.433 -1.537) 4.966 26.237 ( 0.643 0.676 -1.204) 1.523 26.277 ( -1.366 1.856 -0.170) 2.311 26.470 ( 1.800 2.223 -1.244) 3.119 26.874 ( 17.738 30.204 -10.490) 36.565 43.932 ( -0.007 -13.966 -6.630) 15.460 44.380 ( -3.235 -2.510 -9.189) 10.060 50.272 ( -4.169 -0.302 -0.615) 4.225 50.515 ( 13.652 6.760 -3.117) 15.550 51.151 ( -0.468 -13.139 -1.906) 13.284 51.575 ( -0.391 -0.151 -2.238) 2.277 59.342 ( -3.076 -0.887 -0.112) 3.204 59.404 ( -0.007 -0.007 0.040) 0.042 ======================= Grid point 99 (35/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -2.697 -3.404 1.342) 4.546 1.397 ( 1.823 -0.910 0.096) 2.040 1.499 ( 1.587 -7.104 4.017) 8.315 1.672 ( -6.222 0.356 -1.259) 6.359 1.739 ( 3.880 -0.710 -1.232) 4.132 1.801 ( 5.046 8.374 2.475) 10.085 2.153 ( -6.995 -5.246 -1.243) 8.832 2.230 ( -9.509 -8.422 -3.823) 13.265 2.437 ( 7.880 3.550 0.286) 8.648 2.555 ( 5.374 4.402 -3.800) 7.918 2.603 ( 1.039 -1.574 0.973) 2.122 2.693 ( 3.254 1.321 -1.659) 3.884 2.876 ( -2.246 1.114 -10.667) 10.958 2.902 ( 0.959 0.185 -11.131) 11.174 3.327 ( -6.099 3.397 7.965) 10.591 3.413 ( 3.239 -1.932 8.585) 9.377 3.471 ( -4.962 -0.024 6.338) 8.049 3.587 ( 4.328 -0.950 5.960) 7.427 14.341 ( -1.152 -5.312 0.556) 5.464 14.476 ( 1.390 5.314 0.429) 5.509 14.655 ( -0.682 -6.745 3.984) 7.864 14.778 ( 1.060 3.525 2.357) 4.371 17.496 ( -2.207 -15.196 -0.608) 15.367 17.838 ( 1.887 14.630 -2.485) 14.959 22.499 ( 0.045 0.054 11.540) 11.540 22.503 ( -0.125 0.486 11.738) 11.749 23.408 ( -1.884 -17.547 1.494) 17.711 23.785 ( 2.864 15.074 1.523) 15.419 23.956 ( -1.722 -3.679 3.979) 5.686 24.054 ( 0.742 0.342 0.208) 0.843 24.225 ( -4.947 -2.309 2.512) 6.010 24.310 ( 0.841 -0.326 1.197) 1.499 24.480 ( -6.623 -3.010 -2.236) 7.611 24.765 ( 7.374 -1.173 -2.225) 7.791 24.852 ( -1.368 0.891 -2.388) 2.893 24.886 ( 3.408 -2.975 -2.356) 5.100 24.948 ( 0.608 -1.525 -0.620) 1.755 24.961 ( 0.388 -0.227 0.204) 0.494 25.188 ( -11.898 -20.606 -2.753) 23.953 25.846 ( 9.304 12.228 -6.335) 16.620 25.937 ( -1.743 1.750 -3.319) 4.137 26.086 ( 3.108 7.498 -3.820) 8.971 26.224 ( -1.353 1.100 -0.237) 1.760 26.242 ( 0.716 0.226 0.153) 0.767 26.450 ( 1.008 0.983 -0.990) 1.721 26.554 ( 4.782 11.853 -3.613) 13.282 44.184 ( 0.141 -11.871 -11.836) 16.764 44.341 ( -0.900 4.987 -13.005) 13.957 50.236 ( -6.215 -0.283 -0.665) 6.257 50.484 ( 8.958 5.687 -2.605) 10.926 51.380 ( -0.156 -10.518 -5.026) 11.658 51.529 ( -0.108 4.924 -5.264) 7.209 59.353 ( -1.606 -2.025 0.007) 2.585 59.402 ( 0.548 0.343 -0.139) 0.661 ======================= Grid point 100 (36/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -4.508 7.639 5.010) 10.187 1.450 ( 1.954 0.239 -4.414) 4.833 1.525 ( 2.169 13.686 2.233) 14.035 1.615 ( -4.296 -7.204 1.567) 8.533 1.720 ( 2.142 -2.705 5.829) 6.773 1.894 ( 3.689 -2.777 -3.945) 6.073 2.185 ( -5.360 -2.635 -1.056) 6.065 2.337 ( -2.429 -6.144 -3.368) 7.415 2.387 ( 2.721 2.246 -0.263) 3.538 2.494 ( 5.586 3.918 -4.444) 8.143 2.646 ( -0.358 0.098 -1.506) 1.551 2.665 ( 4.770 4.296 3.227) 7.185 2.745 ( -5.223 4.116 -10.713) 12.609 3.011 ( 2.612 -4.738 -12.447) 13.572 3.189 ( -7.244 5.327 10.021) 13.464 3.382 ( -4.068 -0.327 2.193) 4.633 3.537 ( 2.819 -2.835 12.651) 13.268 3.656 ( 3.746 -2.532 3.721) 5.856 14.377 ( 0.805 5.913 0.798) 6.020 14.431 ( -1.070 -4.949 0.250) 5.069 14.674 ( 0.300 7.444 3.204) 8.110 14.745 ( -0.697 -2.765 3.019) 4.153 17.569 ( 1.688 14.811 -0.288) 14.910 17.781 ( -1.233 -15.623 -2.531) 15.875 22.484 ( -0.370 0.319 11.123) 11.134 22.522 ( 0.504 -1.251 12.872) 12.943 23.467 ( 1.306 18.976 1.127) 19.054 23.703 ( -1.783 -14.433 1.577) 14.627 24.005 ( -0.566 -1.114 2.254) 2.577 24.022 ( 0.947 2.877 2.938) 4.219 24.249 ( -2.226 -3.220 0.279) 3.924 24.326 ( 0.915 -0.533 0.079) 1.062 24.463 ( -7.147 -1.664 -1.678) 7.528 24.671 ( 2.175 11.514 -2.209) 11.924 24.841 ( -0.247 2.170 -1.565) 2.686 24.919 ( 1.702 1.358 -1.737) 2.785 24.954 ( 0.257 0.606 -0.323) 0.733 25.026 ( 5.983 -1.527 -1.343) 6.319 25.466 ( -10.727 -16.465 -2.682) 19.834 25.566 ( 8.765 21.171 -6.382) 23.786 25.965 ( -3.541 -3.541 -3.082) 5.880 25.996 ( 1.080 1.257 -3.879) 4.218 26.208 ( -0.969 -0.672 -0.249) 1.205 26.263 ( 0.616 -1.865 0.365) 1.998 26.441 ( -0.965 0.271 -1.059) 1.458 26.467 ( 0.680 0.675 -0.999) 1.384 44.180 ( -0.093 11.173 -12.096) 16.467 44.372 ( 0.748 -7.176 -13.418) 15.235 50.194 ( -6.712 -0.732 -0.760) 6.794 50.436 ( 4.612 4.786 -2.407) 7.069 51.385 ( 0.121 10.035 -5.256) 11.328 51.533 ( 0.086 -5.340 -4.948) 7.280 59.384 ( -0.431 -1.742 -0.063) 1.795 59.404 ( 1.165 0.031 -0.311) 1.206 ======================= Grid point 101 (37/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -3.253 12.273 5.407) 13.800 1.220 ( 2.659 17.532 6.003) 18.721 1.492 ( 0.605 -0.935 -5.948) 6.051 1.700 ( 2.106 1.791 4.045) 4.900 1.751 ( -4.397 -2.660 2.022) 5.523 1.787 ( -3.260 11.645 1.707) 12.212 2.236 ( 0.470 -4.854 -1.411) 5.077 2.360 ( 4.002 -0.906 2.324) 4.716 2.483 ( 4.484 -3.222 -3.990) 6.812 2.525 ( 0.950 -3.689 -2.988) 4.842 2.603 ( -1.948 2.247 -3.529) 4.615 2.638 ( -5.541 2.242 -8.198) 10.146 2.655 ( 5.177 0.053 2.100) 5.587 3.022 ( -6.619 6.209 9.959) 13.474 3.093 ( 0.884 -2.104 -11.101) 11.333 3.395 ( -1.140 -2.694 1.512) 3.294 3.589 ( 1.065 -1.088 9.902) 10.018 3.729 ( 1.943 -2.569 1.501) 3.554 14.267 ( 0.252 5.898 1.210) 6.026 14.491 ( -0.411 5.948 3.151) 6.743 14.523 ( -0.257 -0.083 0.995) 1.031 14.760 ( -0.523 0.453 1.965) 2.083 17.305 ( 0.867 13.693 2.167) 13.890 18.061 ( -0.371 -14.097 -3.926) 14.639 22.485 ( -0.149 -0.732 10.290) 10.317 22.551 ( 0.315 -1.208 14.186) 14.241 23.106 ( 0.334 18.908 0.519) 18.918 23.871 ( 0.349 1.468 1.321) 2.006 23.979 ( -0.005 -4.208 5.036) 6.563 24.016 ( -1.292 0.611 0.850) 1.663 24.300 ( 0.188 -2.388 -1.325) 2.737 24.345 ( 1.212 -0.710 -1.903) 2.365 24.422 ( -0.547 13.212 -1.895) 13.358 24.465 ( -2.055 -2.221 -0.384) 3.050 24.697 ( -0.690 13.770 0.680) 13.804 24.900 ( 0.441 1.743 -1.048) 2.081 24.942 ( 0.239 0.641 -0.614) 0.919 25.029 ( 2.955 4.695 -3.171) 6.390 25.272 ( 6.015 12.584 -3.657) 14.419 25.650 ( -5.062 -9.564 -1.315) 10.901 25.984 ( -5.284 -1.995 -1.916) 5.965 26.064 ( 0.336 -6.238 -3.132) 6.988 26.238 ( -0.032 -2.770 -0.459) 2.808 26.328 ( 1.702 -4.071 -0.777) 4.481 26.443 ( -3.962 -2.379 -1.028) 4.734 26.485 ( -0.990 -2.202 -0.331) 2.437 43.933 ( 0.008 14.071 -7.067) 15.746 44.467 ( 1.314 -2.080 -11.120) 11.389 50.166 ( -4.986 -1.261 -0.857) 5.214 50.375 ( 1.444 3.893 -2.175) 4.688 51.162 ( 0.165 12.892 -2.084) 13.061 51.584 ( 0.135 -0.171 -1.693) 1.707 59.404 ( 0.003 -0.453 -0.069) 0.458 59.420 ( 1.108 -0.708 -0.519) 1.414 ======================= Grid point 102 (38/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.000 14.913 6.043) 16.091 0.891 ( -0.000 17.820 8.995) 19.961 1.372 ( -0.000 22.880 11.651) 25.676 1.487 ( -0.000 2.585 -3.181) 4.099 1.629 ( -0.000 5.471 2.501) 6.016 1.859 ( 0.000 -5.833 0.788) 5.886 2.330 ( 0.000 -4.757 -1.119) 4.887 2.458 ( 0.000 -6.171 2.333) 6.598 2.492 ( -0.000 4.347 -5.131) 6.725 2.518 ( -0.000 3.612 -6.094) 7.084 2.556 ( 0.000 -0.935 -1.499) 1.767 2.670 ( 0.000 -6.307 0.163) 6.309 2.767 ( 0.000 -5.778 -1.071) 5.876 2.853 ( -0.000 7.468 9.075) 11.752 3.104 ( -0.000 1.488 -7.771) 7.912 3.443 ( 0.000 -2.428 -0.258) 2.442 3.605 ( 0.000 -0.421 5.097) 5.114 3.782 ( 0.000 -2.194 -0.300) 2.215 14.163 ( -0.000 4.879 1.574) 5.127 14.305 ( -0.000 9.594 5.113) 10.872 14.585 ( 0.000 -3.195 -0.423) 3.223 14.731 ( -0.000 2.129 1.163) 2.426 17.071 ( -0.000 10.750 4.202) 11.542 18.299 ( 0.000 -10.628 -4.750) 11.642 22.508 ( 0.000 -1.617 9.185) 9.326 22.563 ( -0.000 0.487 13.259) 13.268 22.776 ( -0.000 15.140 -0.048) 15.140 23.759 ( -0.000 7.119 4.631) 8.492 23.914 ( -0.000 8.177 0.707) 8.207 24.112 ( 0.000 -5.685 2.855) 6.362 24.162 ( -0.000 14.065 -3.039) 14.390 24.336 ( 0.000 -1.395 -3.439) 3.711 24.367 ( -0.000 14.589 6.335) 15.905 24.405 ( 0.000 -3.749 -1.571) 4.065 24.516 ( 0.000 -2.850 -0.296) 2.866 24.853 ( -0.000 3.566 -3.214) 4.800 24.931 ( -0.000 0.717 -0.012) 0.717 24.952 ( -0.000 3.223 -2.081) 3.836 25.177 ( -0.000 2.285 0.077) 2.286 25.758 ( 0.000 -3.986 -0.175) 3.990 25.980 ( 0.000 -0.882 -0.909) 1.267 26.180 ( 0.000 -4.936 -2.419) 5.497 26.301 ( 0.000 -3.414 -0.714) 3.488 26.438 ( 0.000 -0.712 1.195) 1.391 26.456 ( 0.000 -6.926 -3.441) 7.733 26.548 ( 0.000 -4.871 -0.894) 4.953 43.672 ( -0.000 12.561 0.134) 12.562 44.482 ( -0.000 0.763 -5.835) 5.885 50.170 ( 0.000 -1.379 -0.899) 1.646 50.316 ( -0.000 2.728 -1.807) 3.272 50.920 ( -0.000 11.951 2.802) 12.275 51.553 ( -0.000 3.109 2.614) 4.062 59.402 ( -0.000 0.627 0.118) 0.638 59.444 ( 0.000 -1.187 -0.766) 1.412 ======================= Grid point 105 (39/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 17.865 0.000 3.493) 18.204 0.737 ( 18.468 0.000 8.159) 20.191 1.218 ( 23.931 0.000 19.221) 30.694 1.435 ( 2.607 0.000 2.554) 3.649 1.451 ( -2.126 -0.000 2.768) 3.490 2.020 ( 0.100 0.000 -0.553) 0.562 2.138 ( -15.074 -0.000 2.773) 15.327 2.150 ( -17.128 -0.000 2.379) 17.292 2.331 ( -0.052 -0.000 -3.009) 3.010 2.684 ( 5.984 0.000 -7.755) 9.795 2.697 ( -1.001 -0.000 -2.392) 2.593 2.818 ( 5.285 0.000 2.114) 5.692 2.873 ( -4.605 -0.000 -3.185) 5.599 2.942 ( 5.506 0.000 5.338) 7.669 3.029 ( -2.102 -0.000 -0.592) 2.184 3.548 ( 2.730 0.000 -2.476) 3.685 3.573 ( -2.499 -0.000 -1.648) 2.993 3.782 ( -1.555 -0.000 -5.205) 5.432 14.085 ( 1.103 0.000 3.014) 3.210 14.095 ( -0.325 -0.000 5.696) 5.705 14.684 ( 1.622 0.000 -1.794) 2.418 14.698 ( 1.550 0.000 1.641) 2.257 16.842 ( -0.578 -0.000 5.655) 5.684 18.503 ( -0.228 -0.000 -5.269) 5.274 22.411 ( 0.905 0.000 -0.168) 0.920 22.454 ( -0.192 -0.000 -1.368) 1.382 22.564 ( 0.217 0.000 7.557) 7.560 23.041 ( -14.269 -0.000 49.418) 51.437 23.639 ( -2.561 -0.000 4.005) 4.753 23.657 ( 3.795 0.000 7.983) 8.839 24.143 ( -0.247 -0.000 -1.525) 1.545 24.309 ( 5.282 0.000 1.171) 5.411 24.311 ( -2.852 -0.000 -1.884) 3.418 24.494 ( -3.491 -0.000 -1.531) 3.812 24.514 ( -0.342 -0.000 2.931) 2.950 24.797 ( 2.551 0.000 1.669) 3.049 24.838 ( -3.614 -0.000 3.318) 4.906 24.913 ( 0.019 0.000 0.517) 0.517 24.921 ( 0.394 0.000 0.688) 0.793 25.927 ( 2.639 0.000 -0.021) 2.639 26.229 ( 1.336 0.000 -1.462) 1.980 26.282 ( 0.191 0.000 -0.879) 0.899 26.297 ( -0.446 -0.000 0.219) 0.497 26.356 ( -1.049 -0.000 -2.749) 2.942 26.584 ( -2.412 -0.000 -1.816) 3.019 29.225 ( 54.515 0.000 -107.090) 120.167 43.420 ( -0.010 -0.000 9.261) 9.261 43.875 ( -15.731 -0.000 34.830) 38.218 50.276 ( 0.647 0.000 -0.142) 0.663 50.646 ( 0.608 0.000 6.816) 6.843 50.923 ( 19.682 0.000 -21.512) 29.157 51.415 ( 0.152 0.000 4.083) 4.085 59.382 ( 0.120 0.000 0.626) 0.637 59.406 ( -2.924 -0.000 -2.523) 3.862 ======================= Grid point 106 (40/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 16.380 -3.047 3.026) 16.933 0.918 ( 18.048 -5.181 5.194) 19.483 1.432 ( -0.300 -0.454 0.969) 1.111 1.499 ( 0.258 -3.479 4.002) 5.309 1.537 ( 18.595 -11.831 11.751) 24.976 1.993 ( -6.585 0.536 -0.247) 6.611 2.019 ( -11.593 -0.707 0.480) 11.624 2.068 ( -15.689 -2.816 2.028) 16.068 2.333 ( 1.519 1.535 -0.365) 2.190 2.638 ( -0.076 3.091 -4.381) 5.362 2.680 ( 2.440 3.960 -4.153) 6.235 2.783 ( 3.726 2.049 -2.264) 4.817 2.869 ( -1.483 0.273 -2.608) 3.012 2.980 ( 1.858 -0.505 3.408) 3.914 3.088 ( 0.608 -5.668 5.549) 7.955 3.516 ( -0.921 2.655 -2.392) 3.690 3.586 ( 0.773 -0.689 0.476) 1.139 3.724 ( -2.656 4.163 -4.395) 6.611 14.089 ( -0.060 -1.975 2.625) 3.286 14.178 ( 0.607 -6.299 5.743) 8.546 14.678 ( 1.661 1.775 -0.478) 2.478 14.730 ( 1.541 -1.895 0.492) 2.492 16.885 ( -0.947 -4.991 5.047) 7.161 18.453 ( 0.136 5.160 -5.239) 7.355 22.503 ( -0.576 -4.454 3.659) 5.793 22.519 ( 0.357 -4.241 2.480) 4.926 22.567 ( -0.086 -2.759 4.650) 5.407 23.230 ( -10.789 -28.468 30.190) 42.875 23.664 ( -1.670 -4.251 3.609) 5.821 23.728 ( 2.072 -4.197 8.637) 9.824 24.156 ( -0.584 -1.438 -1.001) 1.847 24.297 ( -2.333 -0.723 -0.683) 2.537 24.340 ( 5.307 1.343 1.011) 5.566 24.450 ( -1.332 2.210 -1.307) 2.893 24.528 ( -0.765 -2.493 1.158) 2.853 24.793 ( -0.493 -0.022 0.044) 0.496 24.869 ( -1.331 -3.311 3.085) 4.717 24.917 ( -0.201 -0.486 0.231) 0.574 24.929 ( 0.500 -0.507 0.642) 0.959 25.925 ( -1.679 0.581 -0.432) 1.829 26.229 ( 0.998 0.820 -0.839) 1.540 26.268 ( -0.247 1.082 -1.819) 2.131 26.300 ( 0.417 0.343 -0.701) 0.885 26.328 ( 0.432 2.317 -2.594) 3.505 26.561 ( 1.393 1.610 -2.168) 3.039 28.843 ( 42.326 62.327 -64.079) 98.906 43.488 ( 0.269 -7.031 6.698) 9.714 43.972 ( -10.839 -16.156 18.070) 26.552 50.278 ( 0.022 0.286 0.219) 0.361 50.705 ( 1.227 -5.476 5.402) 7.789 50.914 ( 16.502 11.011 -11.299) 22.830 51.464 ( -0.484 -3.879 3.847) 5.485 59.363 ( -3.146 1.698 -1.821) 4.012 59.388 ( 0.018 -0.491 0.575) 0.756 ======================= Grid point 107 (41/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 11.829 -5.677 2.669) 13.390 1.186 ( 15.861 -8.103 2.644) 18.006 1.440 ( -0.956 -0.618 0.033) 1.139 1.565 ( -0.290 -3.719 3.489) 5.108 1.732 ( -9.694 0.026 -1.320) 9.783 1.941 ( -12.236 -4.008 -0.393) 12.882 1.999 ( -1.989 -2.235 -1.636) 3.410 2.118 ( 3.357 -11.230 8.010) 14.197 2.254 ( 0.834 7.568 2.862) 8.134 2.622 ( 2.328 1.352 -1.678) 3.172 2.652 ( 2.751 -0.913 -4.616) 5.450 2.799 ( 2.482 -0.374 -7.584) 7.989 2.826 ( 1.224 3.845 -3.745) 5.505 2.982 ( -2.813 0.065 -1.075) 3.012 3.222 ( 3.416 -6.287 10.098) 12.375 3.449 ( -1.730 3.235 0.039) 3.668 3.595 ( -0.397 1.910 1.751) 2.621 3.603 ( -3.144 3.631 -0.228) 4.808 14.150 ( -0.435 -4.253 1.388) 4.495 14.329 ( 0.377 -8.723 5.989) 10.588 14.643 ( 1.507 3.201 -0.039) 3.538 14.783 ( 1.340 -2.122 0.605) 2.581 17.012 ( -1.558 -9.215 3.539) 9.994 18.315 ( 0.640 9.436 -4.985) 10.692 22.520 ( 0.410 1.209 9.222) 9.310 22.533 ( -0.795 -0.060 9.856) 9.888 22.759 ( -0.669 -14.311 -0.218) 14.328 23.744 ( -1.283 -9.932 4.415) 10.944 23.812 ( -5.672 -22.217 7.992) 24.283 23.836 ( -3.754 -15.118 8.638) 17.812 24.182 ( -0.758 -1.850 0.165) 2.007 24.288 ( 1.586 5.876 1.004) 6.169 24.310 ( -0.529 -0.191 1.245) 1.366 24.424 ( 1.251 0.127 -1.946) 2.317 24.622 ( 1.411 -7.064 -1.810) 7.427 24.802 ( -1.036 -1.519 -1.314) 2.260 24.904 ( -0.939 -0.802 0.793) 1.467 24.932 ( -1.086 -1.666 0.777) 2.135 24.949 ( 0.918 -1.042 0.797) 1.602 25.889 ( -3.506 0.549 -1.525) 3.862 26.215 ( 1.076 1.706 -1.056) 2.277 26.230 ( -0.594 2.576 -3.456) 4.351 26.284 ( 3.803 2.716 -2.138) 5.139 26.295 ( -0.850 1.108 -0.058) 1.398 26.545 ( 4.223 2.591 -2.675) 5.631 27.914 ( 27.011 58.564 -30.462) 71.325 43.678 ( 0.167 -12.149 0.610) 12.165 44.199 ( -5.697 -12.761 1.523) 14.058 50.260 ( -1.494 1.085 0.325) 1.875 50.787 ( 13.486 8.346 -5.195) 16.689 50.911 ( 0.353 -9.159 1.778) 9.336 51.533 ( -0.557 -3.397 1.466) 3.741 59.312 ( -3.084 0.640 -0.596) 3.206 59.398 ( -0.104 -0.500 0.370) 0.631 ======================= Grid point 108 (42/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 6.860 -6.423 0.834) 9.435 1.409 ( 3.330 -0.841 1.578) 3.780 1.441 ( 3.667 -2.593 2.431) 5.106 1.605 ( -9.491 -0.690 -2.229) 9.773 1.658 ( 0.635 -5.785 0.344) 5.830 1.961 ( -8.829 -6.085 -1.502) 10.828 2.025 ( -2.658 -2.527 -2.374) 4.369 2.085 ( -1.271 8.524 2.693) 9.030 2.403 ( 6.732 -10.733 6.684) 14.325 2.603 ( 2.210 2.698 0.208) 3.494 2.712 ( 3.934 -0.772 -6.148) 7.340 2.742 ( 3.498 5.471 -4.721) 8.028 2.842 ( 0.749 -2.210 -10.390) 10.649 2.932 ( -4.225 2.051 -5.217) 7.019 3.357 ( 0.080 0.370 7.327) 7.337 3.374 ( 0.727 -2.001 9.065) 9.312 3.465 ( -5.843 4.154 -0.359) 7.179 3.604 ( 2.048 0.050 6.265) 6.592 14.235 ( -0.594 -4.983 0.810) 5.084 14.501 ( -0.116 -8.780 5.196) 10.203 14.580 ( 1.132 4.408 0.330) 4.563 14.817 ( 0.935 -0.103 1.247) 1.562 17.211 ( -1.581 -12.823 1.438) 13.000 18.110 ( 0.949 12.501 -4.153) 13.207 22.505 ( 0.400 0.573 10.503) 10.526 22.517 ( -0.599 0.946 11.125) 11.181 23.060 ( -0.957 -17.375 0.794) 17.420 23.855 ( 0.455 -4.506 4.623) 6.472 23.929 ( -2.829 -6.619 3.231) 7.890 24.107 ( 0.660 11.055 1.286) 11.150 24.174 ( -1.798 -1.445 1.003) 2.515 24.282 ( -1.758 -4.610 3.497) 6.047 24.429 ( -0.641 -0.638 -2.108) 2.294 24.480 ( -2.580 -24.712 0.642) 24.855 24.783 ( 0.418 -6.515 -4.007) 7.660 24.846 ( 0.906 -3.683 -1.521) 4.086 24.901 ( -0.266 -0.673 -0.750) 1.042 24.952 ( -1.051 -1.293 0.517) 1.744 24.974 ( 0.751 -0.516 0.507) 1.043 25.870 ( -1.984 -0.987 -2.601) 3.417 26.138 ( 1.918 7.043 -5.667) 9.241 26.199 ( 1.449 2.019 -0.741) 2.593 26.252 ( -0.677 2.518 -0.695) 2.698 26.267 ( 1.487 1.627 -0.873) 2.371 26.517 ( 3.659 3.698 -2.649) 5.838 27.109 ( 11.475 40.141 -14.354) 44.148 43.932 ( 0.001 -13.911 -6.400) 15.312 44.338 ( -1.955 -4.479 -8.394) 9.713 50.216 ( -2.726 1.599 0.211) 3.167 50.695 ( 8.751 9.108 -4.028) 13.258 51.144 ( -0.330 -13.333 -1.814) 13.460 51.569 ( -0.267 -0.332 -2.531) 2.567 59.301 ( -1.976 -1.574 0.056) 2.527 59.404 ( -0.008 -0.245 0.097) 0.263 ======================= Grid point 109 (43/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.872 2.418 2.857) 3.843 1.414 ( 1.903 -3.236 -1.264) 3.961 1.471 ( -4.822 -2.774 -1.547) 5.774 1.671 ( 3.627 -4.049 5.367) 7.639 1.801 ( 3.442 -3.356 -2.056) 5.229 1.842 ( 0.027 9.240 2.863) 9.674 2.070 ( -3.208 -4.999 -1.996) 6.266 2.107 ( -5.058 -10.115 -3.447) 11.822 2.525 ( 3.090 5.547 -1.118) 6.447 2.600 ( 0.769 -4.611 2.188) 5.161 2.645 ( 3.315 6.341 -5.528) 9.042 2.745 ( 2.731 1.607 -5.340) 6.209 2.807 ( -4.061 4.201 -3.687) 6.909 2.942 ( 1.909 -4.017 -11.936) 12.737 3.250 ( -3.059 5.346 7.140) 9.430 3.361 ( -3.697 1.894 0.515) 4.186 3.490 ( 1.909 -4.281 14.138) 14.894 3.635 ( 1.663 -1.740 5.838) 6.315 14.328 ( -0.463 -5.112 0.485) 5.156 14.492 ( 0.541 5.421 0.469) 5.468 14.647 ( -0.287 -6.386 4.185) 7.641 14.790 ( 0.415 3.680 2.204) 4.310 17.472 ( -0.858 -15.321 -0.770) 15.365 17.860 ( 0.771 14.271 -2.474) 14.505 22.494 ( -0.239 0.916 11.303) 11.342 22.507 ( 0.221 -0.514 11.750) 11.764 23.387 ( -0.778 -17.162 1.549) 17.249 23.820 ( 1.390 16.406 1.372) 16.522 23.939 ( -0.491 -3.690 4.707) 6.001 24.050 ( -0.877 -4.049 -1.008) 4.264 24.166 ( -1.935 -0.686 3.015) 3.647 24.315 ( 0.001 -1.100 1.362) 1.751 24.413 ( -2.092 0.324 -1.604) 2.656 24.825 ( 0.964 3.181 -2.011) 3.885 24.840 ( 0.100 -1.230 -2.699) 2.967 24.942 ( 3.034 -11.821 -1.062) 12.251 24.967 ( 0.479 -5.316 -0.267) 5.344 24.969 ( 0.932 1.653 -0.798) 2.059 25.047 ( -5.659 -13.532 -1.991) 14.802 25.894 ( -0.654 -2.235 -3.098) 3.875 25.961 ( 2.676 14.018 -7.109) 15.944 26.122 ( 1.398 8.307 -3.768) 9.228 26.203 ( -1.030 0.800 -0.027) 1.305 26.254 ( 0.516 0.473 0.224) 0.735 26.470 ( 1.031 2.710 -1.460) 3.246 26.613 ( 2.228 16.351 -5.141) 17.284 44.186 ( 0.057 -12.107 -11.762) 16.880 44.331 ( -0.341 4.264 -12.876) 13.568 50.166 ( -2.456 1.287 -0.058) 2.773 50.584 ( 3.530 7.337 -3.215) 8.753 51.378 ( -0.060 -10.671 -4.957) 11.766 51.528 ( -0.042 4.762 -5.371) 7.178 59.335 ( -0.640 -2.702 0.116) 2.779 59.408 ( 0.212 -0.135 -0.162) 0.299 ======================= Grid point 110 (44/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.000 8.185 5.663) 9.953 1.459 ( 0.000 -2.070 -7.352) 7.638 1.549 ( -0.000 13.172 3.974) 13.759 1.582 ( 0.000 -5.046 2.167) 5.491 1.741 ( 0.000 -1.392 6.560) 6.706 1.917 ( 0.000 -0.240 -3.950) 3.958 2.144 ( 0.000 -4.696 -1.940) 5.081 2.303 ( 0.000 -11.167 -2.900) 11.538 2.422 ( -0.000 5.145 -0.219) 5.150 2.550 ( -0.000 3.793 -3.646) 5.261 2.642 ( -0.000 0.707 -1.836) 1.968 2.690 ( -0.000 4.172 -10.279) 11.093 2.714 ( -0.000 3.833 2.824) 4.761 3.033 ( 0.000 -4.202 -12.531) 13.217 3.123 ( -0.000 6.382 9.486) 11.433 3.345 ( 0.000 -1.518 1.820) 2.370 3.562 ( 0.000 -2.455 12.902) 13.134 3.686 ( 0.000 -2.626 3.836) 4.649 14.384 ( -0.000 6.016 0.853) 6.076 14.422 ( 0.000 -4.858 0.206) 4.862 14.676 ( -0.000 7.366 2.996) 7.951 14.739 ( 0.000 -2.418 3.205) 4.015 17.582 ( -0.000 14.696 -0.269) 14.698 17.771 ( 0.000 -15.763 -2.527) 15.965 22.481 ( -0.000 0.280 11.052) 11.055 22.526 ( 0.000 -1.286 13.088) 13.151 23.477 ( -0.000 19.312 1.020) 19.339 23.689 ( 0.000 -14.425 1.518) 14.504 23.999 ( 0.000 -2.356 2.667) 3.559 24.032 ( -0.000 4.352 2.687) 5.115 24.228 ( 0.000 -4.954 -0.057) 4.954 24.331 ( 0.000 -0.579 -0.798) 0.986 24.409 ( 0.000 -1.397 -0.572) 1.510 24.684 ( -0.000 11.394 -2.582) 11.683 24.839 ( -0.000 2.667 -1.021) 2.856 24.931 ( -0.000 1.921 -1.260) 2.297 24.956 ( -0.000 0.562 -0.488) 0.745 25.091 ( 0.000 -0.278 -2.255) 2.272 25.369 ( 0.000 -17.500 -1.592) 17.572 25.637 ( -0.000 20.141 -7.271) 21.413 25.934 ( 0.000 -1.956 -2.500) 3.174 26.005 ( -0.000 1.569 -4.000) 4.297 26.200 ( 0.000 -0.928 -0.273) 0.967 26.267 ( 0.000 -1.981 0.556) 2.058 26.434 ( -0.000 1.421 -0.719) 1.593 26.475 ( -0.000 1.612 -1.347) 2.101 44.179 ( -0.000 11.043 -12.151) 16.419 44.378 ( 0.000 -7.604 -13.505) 15.498 50.140 ( -0.000 0.222 -0.404) 0.461 50.473 ( -0.000 5.617 -2.729) 6.245 51.386 ( -0.000 9.938 -5.303) 11.264 51.533 ( 0.000 -5.410 -4.887) 7.290 59.380 ( 0.000 -2.007 -0.046) 2.007 59.414 ( 0.000 -0.344 -0.372) 0.506 ======================= Grid point 115 (45/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 20.018 0.000 -1.147) 20.051 1.028 ( 18.993 0.000 5.817) 19.864 1.422 ( -1.384 -0.000 4.221) 4.442 1.478 ( 2.682 0.000 2.970) 4.002 1.566 ( 19.155 0.000 11.842) 22.520 1.888 ( -15.707 -0.000 2.380) 15.886 1.893 ( -16.654 -0.000 3.263) 16.971 1.990 ( -3.399 -0.000 -2.001) 3.945 2.373 ( 4.931 0.000 -0.947) 5.021 2.668 ( -2.782 -0.000 -4.469) 5.264 2.709 ( -3.538 -0.000 -5.956) 6.927 2.802 ( -4.109 -0.000 -2.841) 4.995 2.886 ( 3.377 0.000 2.104) 3.979 2.983 ( -2.178 -0.000 5.279) 5.710 3.023 ( 4.698 0.000 5.924) 7.560 3.532 ( -2.608 -0.000 -1.767) 3.150 3.586 ( 2.058 0.000 -2.390) 3.154 3.764 ( -0.748 -0.000 -7.728) 7.764 14.090 ( -0.295 -0.000 5.891) 5.899 14.100 ( 0.824 0.000 3.348) 3.448 14.708 ( 1.430 0.000 -1.829) 2.322 14.721 ( 1.365 0.000 1.708) 2.187 16.833 ( -0.519 -0.000 5.412) 5.437 18.503 ( 0.132 0.000 -5.351) 5.353 22.424 ( 0.796 0.000 -0.429) 0.904 22.453 ( 0.049 0.000 -1.604) 1.605 22.565 ( -0.036 -0.000 7.847) 7.847 22.899 ( -5.545 -0.000 41.582) 41.950 23.606 ( -1.726 -0.000 4.646) 4.956 23.717 ( 3.708 0.000 9.572) 10.265 24.136 ( -0.657 -0.000 -1.723) 1.844 24.268 ( -2.384 -0.000 0.055) 2.385 24.393 ( 5.325 0.000 -0.081) 5.326 24.446 ( -2.579 -0.000 -2.878) 3.864 24.508 ( -0.428 -0.000 4.335) 4.356 24.787 ( -3.149 -0.000 1.981) 3.720 24.831 ( 1.743 0.000 2.029) 2.675 24.914 ( 0.113 0.000 0.336) 0.354 24.927 ( 0.346 0.000 0.745) 0.821 25.904 ( -4.934 -0.000 -0.420) 4.952 26.240 ( 0.320 0.000 -0.674) 0.746 26.284 ( 0.224 0.000 -1.804) 1.818 26.297 ( 0.294 0.000 -0.677) 0.738 26.357 ( 0.938 0.000 -3.094) 3.234 26.591 ( 2.789 0.000 -2.960) 4.067 29.800 ( 23.760 0.000 -86.600) 89.801 43.420 ( -0.006 -0.000 9.320) 9.320 43.711 ( -6.577 -0.000 30.026) 30.738 50.286 ( 0.553 0.000 0.818) 0.987 50.649 ( 0.052 0.000 7.782) 7.782 51.160 ( 11.303 0.000 -15.895) 19.504 51.417 ( 0.133 0.000 4.173) 4.175 59.365 ( -2.267 -0.000 -3.395) 4.082 59.384 ( 0.106 0.000 0.745) 0.753 ======================= Grid point 116 (46/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 19.080 0.291 -0.318) 19.085 1.199 ( 18.263 -3.822 3.788) 19.040 1.422 ( -0.614 -0.633 3.254) 3.372 1.513 ( 0.973 -1.867 3.314) 3.926 1.656 ( -10.607 0.388 -0.201) 10.616 1.762 ( -16.699 -1.690 1.761) 16.876 1.929 ( 5.880 -8.421 7.945) 12.985 1.975 ( -1.563 -2.482 -0.151) 2.937 2.383 ( 3.708 3.743 1.900) 5.601 2.634 ( -0.819 0.066 -5.750) 5.809 2.656 ( -4.190 0.519 -1.975) 4.661 2.799 ( -2.268 -1.328 -3.604) 4.460 2.848 ( 0.641 1.880 -2.729) 3.375 3.024 ( 2.646 2.698 4.616) 5.965 3.096 ( 0.722 -7.922 7.934) 11.235 3.491 ( -1.689 2.184 -1.537) 3.160 3.605 ( 1.187 -0.375 -0.200) 1.261 3.693 ( -1.363 6.128 -6.379) 8.950 14.088 ( -0.099 -1.711 2.959) 3.420 14.186 ( 0.341 -6.353 5.796) 8.606 14.700 ( 1.079 1.731 -0.348) 2.069 14.751 ( 1.005 -1.879 0.382) 2.165 16.873 ( -0.629 -4.518 4.813) 6.631 18.456 ( 0.279 4.954 -5.356) 7.301 22.493 ( -0.553 -4.021 2.121) 4.579 22.530 ( 0.917 -4.617 2.381) 5.275 22.561 ( -0.619 -1.861 5.578) 5.913 23.117 ( -4.378 -26.698 28.173) 39.060 23.638 ( -1.370 -4.397 4.370) 6.349 23.762 ( 1.921 -1.952 10.022) 10.390 24.145 ( -0.755 -1.359 -1.689) 2.295 24.267 ( -1.335 -1.401 0.921) 2.144 24.409 ( 2.197 2.842 0.272) 3.602 24.441 ( 1.117 0.015 -2.563) 2.796 24.519 ( -0.463 -3.128 2.302) 3.912 24.769 ( -2.028 -0.695 0.716) 2.260 24.866 ( 0.351 -2.038 2.443) 3.201 24.917 ( 0.019 -0.210 0.020) 0.211 24.937 ( 0.407 -0.735 0.849) 1.194 25.861 ( -4.867 0.110 -1.048) 4.979 26.237 ( 0.215 0.513 -0.481) 0.736 26.265 ( -0.009 1.716 -2.623) 3.135 26.303 ( 0.059 0.186 -0.475) 0.513 26.349 ( 1.293 1.593 -2.708) 3.398 26.610 ( 3.772 0.741 -3.787) 5.396 29.304 ( 18.709 58.688 -60.440) 86.298 43.492 ( 0.176 -7.146 6.667) 9.775 43.854 ( -4.797 -16.234 18.093) 24.777 50.278 ( 0.003 1.127 1.064) 1.549 50.712 ( 0.090 -6.509 6.491) 9.193 51.118 ( 9.275 10.326 -10.606) 17.468 51.458 ( -0.400 -3.495 3.620) 5.048 59.323 ( -1.853 2.195 -2.360) 3.718 59.388 ( 0.018 -0.382 0.685) 0.785 ======================= Grid point 117 (47/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 16.027 -0.266 0.210) 16.031 1.420 ( 8.156 -2.165 1.542) 8.578 1.429 ( 2.178 -1.453 2.448) 3.585 1.507 ( -13.267 -0.351 -1.500) 13.356 1.566 ( 0.148 -3.583 2.515) 4.380 1.722 ( -14.043 -6.970 -0.723) 15.694 1.967 ( -1.531 -1.576 -2.855) 3.603 2.230 ( 6.056 -11.680 8.564) 15.699 2.278 ( 1.259 8.195 3.478) 8.992 2.628 ( -1.000 -0.743 1.557) 1.994 2.698 ( 2.895 -3.185 -7.008) 8.224 2.805 ( -2.112 -0.783 -5.719) 6.147 2.828 ( 0.490 0.770 -7.293) 7.350 2.962 ( -0.168 4.277 0.320) 4.293 3.257 ( 1.222 -7.738 11.279) 13.733 3.426 ( -0.957 3.635 0.549) 3.799 3.544 ( -2.037 7.194 -3.718) 8.350 3.616 ( 0.726 -0.008 3.613) 3.685 14.145 ( -0.186 -4.061 1.442) 4.314 14.332 ( 0.116 -8.537 6.116) 10.502 14.660 ( 0.594 3.176 0.080) 3.232 14.798 ( 0.521 -2.106 0.489) 2.224 16.995 ( -0.617 -8.785 3.334) 9.417 18.323 ( 0.303 9.162 -5.099) 10.490 22.522 ( -0.178 0.060 8.574) 8.576 22.527 ( 0.047 1.119 9.466) 9.532 22.750 ( -0.331 -14.059 -0.210) 14.065 23.712 ( -2.052 -29.350 9.191) 30.824 23.751 ( -1.398 -13.135 5.044) 14.139 23.812 ( -0.549 -2.890 9.028) 9.495 24.171 ( -0.417 -1.799 -0.838) 2.028 24.297 ( 0.099 -1.512 1.198) 1.932 24.311 ( 0.166 7.180 1.650) 7.369 24.443 ( 0.890 0.883 -1.807) 2.199 24.637 ( 0.514 -8.278 -1.619) 8.450 24.787 ( -0.650 -2.342 -0.507) 2.483 24.894 ( -0.287 -0.627 1.307) 1.478 24.926 ( -0.071 -0.931 -0.113) 0.941 24.961 ( 0.469 -1.330 0.914) 1.681 25.837 ( -2.231 -0.628 -1.847) 2.964 26.223 ( 0.035 2.524 -3.444) 4.269 26.226 ( 0.081 0.940 -0.598) 1.117 26.286 ( -0.255 1.439 -0.406) 1.517 26.321 ( 1.020 2.222 -1.921) 3.109 26.609 ( 2.789 2.447 -4.362) 5.727 28.197 ( 9.337 62.672 -32.745) 71.325 43.680 ( 0.068 -12.031 0.749) 12.055 44.139 ( -1.982 -14.333 2.511) 14.686 50.243 ( -0.594 2.198 0.948) 2.466 50.890 ( 0.828 -10.931 2.467) 11.236 50.958 ( 4.341 10.832 -6.112) 13.173 51.526 ( -0.251 -3.509 1.098) 3.685 59.278 ( -1.161 0.744 -0.682) 1.539 59.397 ( -0.041 -0.461 0.443) 0.641 ======================= Grid point 118 (48/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.000 1.981 -0.891) 2.172 1.349 ( 0.000 -2.731 1.766) 3.252 1.437 ( -0.000 0.102 -1.050) 1.055 1.605 ( 0.000 -4.614 4.272) 6.288 1.668 ( 0.000 -6.996 -0.501) 7.014 1.844 ( 0.000 -11.020 -2.781) 11.365 2.002 ( 0.000 -2.765 -2.745) 3.896 2.091 ( -0.000 11.123 3.492) 11.658 2.461 ( 0.000 -9.503 6.132) 11.309 2.620 ( -0.000 2.242 0.511) 2.300 2.749 ( -0.000 1.417 -7.374) 7.509 2.793 ( -0.000 0.906 -7.578) 7.632 2.815 ( -0.000 0.897 -3.781) 3.886 2.903 ( -0.000 0.047 -7.315) 7.315 3.339 ( -0.000 4.894 3.553) 6.047 3.398 ( 0.000 -6.212 13.593) 14.945 3.413 ( -0.000 5.131 -1.563) 5.364 3.621 ( 0.000 -0.391 6.170) 6.183 14.231 ( 0.000 -4.870 0.785) 4.933 14.500 ( 0.000 -8.587 5.242) 10.060 14.589 ( -0.000 4.404 0.427) 4.424 14.824 ( 0.000 -0.063 1.171) 1.173 17.198 ( 0.000 -12.718 1.325) 12.787 18.118 ( -0.000 12.304 -4.201) 13.001 22.508 ( -0.000 0.559 10.618) 10.632 22.512 ( -0.000 0.906 10.631) 10.669 23.052 ( 0.000 -17.190 0.814) 17.210 23.864 ( 0.000 -3.417 7.053) 7.837 23.898 ( 0.000 -8.704 0.994) 8.760 24.111 ( -0.000 12.796 1.628) 12.899 24.161 ( 0.000 -2.439 0.735) 2.547 24.264 ( 0.000 -7.049 4.034) 8.122 24.423 ( -0.000 0.439 -1.875) 1.926 24.461 ( 0.000 -23.080 0.433) 23.084 24.786 ( 0.000 -5.115 -3.545) 6.224 24.852 ( 0.000 -3.605 -1.624) 3.954 24.899 ( 0.000 -2.127 0.459) 2.176 24.946 ( 0.000 -0.987 -0.040) 0.988 24.984 ( 0.000 -0.540 0.104) 0.550 25.851 ( 0.000 -1.674 -2.515) 3.021 26.150 ( -0.000 5.647 -5.544) 7.914 26.212 ( -0.000 0.762 0.141) 0.775 26.241 ( -0.000 3.468 -1.372) 3.730 26.283 ( -0.000 2.030 -0.927) 2.232 26.551 ( -0.000 4.501 -3.613) 5.772 27.201 ( -0.000 43.363 -15.636) 46.096 43.932 ( 0.000 -13.889 -6.310) 15.255 44.323 ( 0.000 -5.185 -8.116) 9.631 50.194 ( -0.000 2.348 0.536) 2.408 50.765 ( -0.000 9.992 -4.345) 10.896 51.141 ( 0.000 -13.460 -1.772) 13.576 51.567 ( 0.000 -0.412 -2.651) 2.683 59.285 ( 0.000 -1.819 0.114) 1.823 59.404 ( 0.000 -0.336 0.120) 0.357 ======================= Grid point 126 (49/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 19.763 0.000 -1.999) 19.863 1.306 ( 15.053 0.000 4.779) 15.793 1.418 ( 2.215 0.000 4.964) 5.436 1.496 ( -3.894 -0.000 2.513) 4.634 1.564 ( -12.334 -0.000 -2.300) 12.546 1.631 ( -16.875 -0.000 4.122) 17.371 1.885 ( 9.568 0.000 11.585) 15.025 1.944 ( -1.852 -0.000 -2.916) 3.454 2.452 ( 4.079 0.000 1.946) 4.519 2.607 ( -6.420 -0.000 -0.345) 6.429 2.619 ( -2.842 -0.000 -7.583) 8.098 2.760 ( -1.391 -0.000 -3.092) 3.391 2.921 ( 1.141 0.000 2.179) 2.460 2.973 ( 0.150 0.000 5.312) 5.314 3.077 ( 1.970 0.000 6.208) 6.513 3.501 ( -1.218 -0.000 -1.877) 2.238 3.608 ( 0.748 0.000 -2.348) 2.464 3.757 ( -0.220 -0.000 -8.944) 8.946 14.086 ( -0.119 -0.000 6.014) 6.015 14.109 ( 0.306 0.000 3.480) 3.494 14.724 ( 0.566 0.000 -1.853) 1.937 14.736 ( 0.542 0.000 1.736) 1.819 16.827 ( -0.209 -0.000 5.256) 5.260 18.505 ( 0.139 0.000 -5.441) 5.443 22.433 ( 0.315 0.000 -0.601) 0.678 22.454 ( 0.076 0.000 -1.921) 1.923 22.564 ( -0.074 -0.000 8.188) 8.189 22.847 ( -1.515 -0.000 37.284) 37.315 23.588 ( -0.618 -0.000 5.189) 5.226 23.761 ( 1.633 0.000 10.930) 11.051 24.126 ( -0.535 -0.000 -2.231) 2.294 24.243 ( -0.812 -0.000 1.184) 1.436 24.418 ( -0.963 -0.000 -3.720) 3.842 24.460 ( 2.813 0.000 -1.244) 3.075 24.501 ( -0.419 -0.000 5.294) 5.311 24.746 ( -1.682 -0.000 1.848) 2.498 24.849 ( 0.626 0.000 2.455) 2.533 24.915 ( 0.050 0.000 0.259) 0.264 24.931 ( 0.141 0.000 0.815) 0.828 25.829 ( -3.227 -0.000 -1.143) 3.423 26.243 ( 0.057 0.000 -0.531) 0.535 26.288 ( 0.166 0.000 -2.060) 2.067 26.302 ( 0.173 0.000 -0.980) 0.995 26.370 ( 0.475 0.000 -2.703) 2.744 26.637 ( 2.077 0.000 -4.249) 4.729 30.026 ( 6.812 0.000 -75.024) 75.333 43.420 ( -0.002 -0.000 9.360) 9.360 43.650 ( -1.774 -0.000 26.724) 26.783 50.292 ( 0.214 0.000 1.445) 1.461 50.649 ( 0.004 0.000 7.890) 7.890 51.276 ( 3.771 0.000 -12.152) 12.723 51.418 ( 0.053 0.000 4.230) 4.231 59.340 ( -0.867 -0.000 -3.734) 3.833 59.385 ( 0.042 0.000 0.823) 0.824 ======================= Grid point 127 (50/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 -0.637 0.775) 1.003 1.390 ( -0.000 2.324 -2.389) 3.332 1.406 ( 0.000 -1.959 3.556) 4.060 1.456 ( 0.000 -0.554 2.988) 3.039 1.529 ( 0.000 -2.706 2.814) 3.904 1.531 ( 0.000 -0.524 1.841) 1.914 1.940 ( 0.000 -0.678 -2.916) 2.994 2.042 ( 0.000 -10.004 9.798) 14.003 2.416 ( -0.000 5.229 3.216) 6.139 2.592 ( 0.000 -1.335 1.231) 1.816 2.641 ( 0.000 -3.205 -8.202) 8.806 2.771 ( 0.000 -1.396 -3.662) 3.919 2.857 ( -0.000 2.750 -2.583) 3.773 3.045 ( -0.000 3.057 4.653) 5.567 3.104 ( 0.000 -8.006 8.151) 11.425 3.477 ( -0.000 1.969 -1.259) 2.337 3.615 ( 0.000 -0.305 -0.333) 0.452 3.682 ( -0.000 6.900 -7.153) 9.939 14.087 ( 0.000 -1.626 3.092) 3.494 14.188 ( 0.000 -6.338 5.795) 8.588 14.709 ( -0.000 1.716 -0.302) 1.742 14.759 ( 0.000 -1.868 0.341) 1.899 16.868 ( 0.000 -4.330 4.721) 6.406 18.459 ( -0.000 4.888 -5.415) 7.295 22.489 ( 0.000 -3.847 1.576) 4.157 22.542 ( 0.000 -7.351 -0.384) 7.361 22.552 ( -0.000 1.104 8.628) 8.698 23.085 ( 0.000 -25.902 27.210) 37.567 23.627 ( 0.000 -4.264 4.735) 6.372 23.778 ( 0.000 -1.122 10.584) 10.643 24.138 ( 0.000 -1.405 -2.072) 2.504 24.257 ( 0.000 -1.668 1.497) 2.241 24.415 ( -0.000 2.216 -1.344) 2.591 24.465 ( -0.000 0.723 -1.820) 1.958 24.514 ( 0.000 -3.568 2.751) 4.505 24.750 ( 0.000 -1.138 0.996) 1.513 24.869 ( 0.000 -1.546 2.415) 2.868 24.917 ( 0.000 -0.172 -0.033) 0.175 24.940 ( 0.000 -0.869 0.961) 1.296 25.818 ( 0.000 -0.278 -1.431) 1.458 26.238 ( -0.000 0.462 -0.418) 0.623 26.265 ( -0.000 1.889 -2.726) 3.316 26.303 ( -0.000 0.377 -0.574) 0.687 26.359 ( -0.000 1.328 -2.441) 2.778 26.644 ( -0.000 0.357 -4.586) 4.600 29.444 ( -0.000 56.671 -58.383) 81.364 43.493 ( 0.000 -7.194 6.656) 9.801 43.818 ( 0.000 -15.944 17.804) 23.900 50.278 ( -0.000 1.459 1.397) 2.020 50.712 ( 0.000 -6.571 6.567) 9.290 51.191 ( -0.000 9.518 -9.783) 13.650 51.454 ( 0.000 -3.348 3.538) 4.871 59.309 ( -0.000 2.361 -2.542) 3.469 59.388 ( 0.000 -0.338 0.727) 0.802 ======================= Grid point 170 (51/125) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.000 0.000 15.441) 15.441 0.802 ( 0.000 0.000 20.176) 20.176 1.238 ( 0.000 0.000 27.258) 27.258 1.415 ( 0.000 0.000 1.111) 1.111 1.551 ( 0.000 0.000 4.693) 4.693 1.992 ( 0.000 0.000 1.267) 1.267 2.248 ( 0.000 0.000 -8.827) 8.827 2.340 ( 0.000 0.000 -4.490) 4.490 2.551 ( 0.000 0.000 1.004) 1.004 2.641 ( 0.000 0.000 7.117) 7.117 2.696 ( 0.000 0.000 5.150) 5.150 2.755 ( 0.000 0.000 -6.842) 6.842 2.837 ( 0.000 0.000 3.236) 3.236 2.850 ( 0.000 0.000 1.818) 1.818 2.918 ( 0.000 0.000 -4.128) 4.128 3.416 ( 0.000 0.000 -5.106) 5.106 3.580 ( 0.000 0.000 -2.044) 2.044 3.781 ( 0.000 0.000 -3.100) 3.100 14.121 ( 0.000 0.000 4.270) 4.270 14.241 ( 0.000 0.000 8.841) 8.841 14.606 ( 0.000 0.000 -3.236) 3.236 14.702 ( 0.000 0.000 1.702) 1.702 17.017 ( 0.000 0.000 11.047) 11.047 18.366 ( 0.000 0.000 -9.910) 9.910 22.396 ( 0.000 0.000 0.016) 0.016 22.426 ( 0.000 0.000 -1.882) 1.882 22.761 ( 0.000 0.000 13.481) 13.481 23.713 ( 0.000 0.000 4.722) 4.722 23.744 ( 0.000 0.000 9.027) 9.027 24.102 ( 0.000 0.000 -2.874) 2.874 24.237 ( 0.000 0.000 -8.290) 8.290 24.254 ( 0.000 0.000 2.887) 2.887 24.372 ( 0.000 0.000 23.903) 23.903 24.486 ( 0.000 0.000 -1.460) 1.460 24.569 ( 0.000 0.000 -0.580) 0.580 24.782 ( 0.000 0.000 2.877) 2.877 24.926 ( 0.000 0.000 1.274) 1.274 24.933 ( 0.000 0.000 1.347) 1.347 25.226 ( 0.000 0.000 2.750) 2.750 25.830 ( 0.000 0.000 1.386) 1.386 25.985 ( 0.000 0.000 -0.908) 0.908 26.263 ( 0.000 0.000 -1.058) 1.058 26.342 ( 0.000 0.000 -2.231) 2.231 26.447 ( 0.000 0.000 -0.268) 0.268 26.481 ( 0.000 0.000 -8.154) 8.154 26.654 ( 0.000 0.000 -3.254) 3.254 43.664 ( 0.000 0.000 15.711) 15.711 44.585 ( 0.000 0.000 3.385) 3.385 50.179 ( 0.000 0.000 -1.456) 1.456 50.230 ( 0.000 0.000 -2.109) 2.109 50.891 ( 0.000 0.000 14.457) 14.457 51.505 ( 0.000 0.000 5.189) 5.189 59.391 ( 0.000 0.000 0.668) 0.668 59.450 ( 0.000 0.000 -1.357) 1.357 ======================= Grid point 171 (52/125) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 4.616 -5.740 14.658) 16.404 0.882 ( -2.351 -8.874 17.777) 20.007 1.390 ( 6.115 -10.076 16.739) 20.472 1.443 ( 1.460 -2.653 5.604) 6.370 1.577 ( -0.234 -3.088 3.227) 4.473 1.970 ( 1.449 2.793 1.387) 3.439 2.275 ( -1.206 -3.259 -8.642) 9.314 2.335 ( 0.583 1.158 -5.349) 5.504 2.447 ( -9.307 4.039 2.256) 10.394 2.578 ( 6.835 4.588 1.589) 8.384 2.680 ( -9.728 0.293 -0.940) 9.777 2.715 ( -5.586 5.634 3.055) 8.502 2.812 ( 2.629 5.642 0.259) 6.230 2.921 ( 11.217 -6.636 3.158) 13.410 2.952 ( 0.990 -1.287 -4.799) 5.066 3.429 ( 0.942 -0.618 -3.607) 3.779 3.614 ( -0.728 -3.572 0.066) 3.646 3.772 ( -1.807 0.232 -2.364) 2.984 14.146 ( 0.335 -2.257 3.956) 4.567 14.296 ( 0.357 -5.499 8.656) 10.261 14.599 ( 0.574 1.023 -2.883) 3.112 14.720 ( 0.531 -1.754 1.802) 2.571 17.060 ( -0.467 -4.563 10.164) 11.151 18.314 ( -0.156 5.240 -9.555) 10.899 22.502 ( 0.089 -9.425 -1.250) 9.508 22.569 ( -0.625 -13.488 -0.025) 13.502 22.758 ( 0.325 0.345 14.162) 14.170 23.773 ( -1.057 -5.061 5.097) 7.260 23.800 ( 2.648 -5.722 7.122) 9.512 24.071 ( -0.910 1.088 3.165) 3.468 24.227 ( 0.498 0.913 -4.048) 4.180 24.249 ( -0.412 0.264 -0.159) 0.514 24.380 ( -7.064 -3.925 14.879) 16.932 24.471 ( 2.793 3.501 2.658) 5.208 24.552 ( -0.086 1.005 -0.260) 1.042 24.776 ( 0.618 0.365 1.536) 1.695 24.926 ( -0.234 -0.048 0.737) 0.775 24.933 ( 0.149 -0.006 1.036) 1.047 25.161 ( -8.765 0.712 3.385) 9.423 25.826 ( 2.441 1.610 0.878) 3.054 26.021 ( 9.574 1.578 -2.553) 10.033 26.223 ( 0.205 3.802 -1.758) 4.194 26.322 ( -1.216 1.738 -2.067) 2.962 26.387 ( -6.241 0.069 -1.349) 6.385 26.577 ( 19.535 4.806 -9.121) 22.089 26.600 ( -0.390 4.016 -3.804) 5.545 43.665 ( 0.079 -0.464 12.100) 12.109 44.488 ( -3.707 6.691 1.822) 7.863 50.199 ( 7.345 1.297 -2.133) 7.758 50.242 ( 0.614 -0.931 -2.188) 2.456 50.918 ( -0.128 -2.838 11.841) 12.177 51.545 ( -0.130 -2.797 2.783) 3.948 59.396 ( 0.054 -0.427 0.496) 0.657 59.437 ( -1.531 0.682 -1.165) 2.041 ======================= Grid point 172 (53/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 6.735 -11.099 11.239) 17.171 1.073 ( -3.946 -12.986 13.015) 18.805 1.434 ( -0.985 1.160 -1.138) 1.901 1.662 ( 0.468 -6.967 3.595) 7.854 1.694 ( 7.075 -9.209 9.116) 14.763 1.918 ( 3.802 4.379 1.447) 5.977 2.287 ( -0.695 3.874 -3.959) 5.583 2.321 ( -9.145 0.425 -0.461) 9.166 2.343 ( -3.619 -4.245 -6.631) 8.665 2.518 ( -0.918 6.524 1.124) 6.683 2.571 ( 3.829 3.794 -3.069) 6.202 2.624 ( -7.730 -0.883 1.066) 7.853 2.697 ( 2.409 7.996 -2.574) 8.739 2.949 ( 0.344 1.563 -6.505) 6.699 3.140 ( 10.722 -6.766 6.728) 14.353 3.448 ( 1.591 -0.427 -0.221) 1.662 3.683 ( -1.500 -3.838 3.745) 5.569 3.746 ( -3.817 0.146 -0.337) 3.835 14.208 ( -0.101 -4.002 3.199) 5.125 14.441 ( 0.839 -8.662 7.999) 11.820 14.572 ( 1.108 2.510 -1.985) 3.387 14.772 ( 0.865 -2.760 2.186) 3.625 17.175 ( -1.430 -8.039 7.603) 11.157 18.171 ( 0.074 9.427 -8.515) 12.703 22.729 ( -0.606 -9.828 5.574) 11.315 22.758 ( 0.128 -3.677 11.894) 12.450 22.809 ( -1.066 -11.162 5.865) 12.654 23.859 ( -1.355 -4.842 5.156) 7.201 23.967 ( 2.897 -7.208 5.333) 9.423 24.134 ( -0.712 -9.058 1.492) 9.208 24.207 ( 2.999 3.636 3.750) 6.023 24.242 ( 1.123 -0.067 -6.850) 6.942 24.370 ( 0.119 4.339 -1.805) 4.701 24.450 ( -5.844 -5.642 8.525) 11.775 24.563 ( 1.547 -3.068 3.939) 5.227 24.789 ( -0.967 -1.722 -1.317) 2.374 24.917 ( -0.860 0.621 -0.849) 1.359 24.939 ( 0.158 -0.500 0.491) 0.719 25.111 ( -6.434 -1.487 1.364) 6.743 25.795 ( 4.477 4.698 -0.915) 6.554 26.042 ( 8.125 3.606 -3.804) 9.669 26.125 ( 0.511 6.909 -4.187) 8.095 26.263 ( -2.571 2.267 -1.429) 3.714 26.339 ( -2.568 1.601 -1.424) 3.344 26.494 ( -1.312 3.955 -2.228) 4.725 26.594 ( 15.474 8.666 -8.550) 19.689 43.695 ( 0.242 -2.682 2.394) 3.603 44.329 ( -3.161 6.743 -6.040) 9.589 50.232 ( 10.235 2.403 -2.442) 10.793 50.270 ( 0.035 -1.540 -2.352) 2.812 50.994 ( -0.278 -5.258 5.174) 7.382 51.564 ( -0.528 0.994 -1.383) 1.783 59.403 ( -0.494 -0.077 -0.040) 0.502 59.408 ( -1.903 0.474 -0.547) 2.036 ======================= Grid point 173 (54/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 5.817 -10.103 9.162) 14.828 1.299 ( -4.607 -14.181 8.046) 16.943 1.396 ( 0.367 1.592 -3.525) 3.885 1.743 ( -1.313 -1.511 3.758) 4.257 1.811 ( -2.846 0.862 -2.819) 4.098 1.881 ( 5.769 3.202 1.876) 6.859 2.233 ( -0.115 -0.566 1.354) 1.472 2.291 ( -3.808 0.564 -0.608) 3.897 2.304 ( -5.487 1.338 -1.808) 5.930 2.466 ( 1.458 0.295 -6.632) 6.797 2.554 ( 2.979 2.724 -5.826) 7.088 2.567 ( 2.874 3.882 -7.533) 8.949 2.622 ( -3.798 -2.774 2.911) 5.531 2.898 ( -0.743 3.631 -6.649) 7.612 3.339 ( 10.026 -5.433 8.215) 14.054 3.472 ( 2.831 -0.396 2.962) 4.116 3.698 ( -5.091 -0.188 3.440) 6.147 3.732 ( -3.155 -1.506 6.207) 7.124 14.291 ( -0.680 -4.857 2.125) 5.345 14.522 ( 1.558 3.702 -1.011) 4.142 14.617 ( 0.477 -8.608 7.007) 11.110 14.823 ( 0.977 -1.484 3.094) 3.568 17.336 ( -2.488 -10.269 3.826) 11.237 17.968 ( 0.845 11.932 -6.739) 13.730 22.760 ( 0.433 -0.714 17.235) 17.256 22.840 ( -2.024 -1.195 15.635) 15.811 23.116 ( -0.783 -19.253 1.559) 19.332 23.921 ( -0.038 -0.639 4.072) 4.122 24.068 ( 1.636 -0.613 2.613) 3.143 24.106 ( 1.022 5.978 5.958) 8.502 24.274 ( 2.429 -1.277 -4.847) 5.570 24.291 ( -0.282 -0.784 0.984) 1.289 24.374 ( -0.284 -10.326 -3.429) 10.884 24.504 ( 3.271 -1.138 0.041) 3.463 24.734 ( 1.031 -9.182 1.806) 9.415 24.830 ( -4.832 -6.138 -2.352) 8.158 24.889 ( -2.215 0.683 -2.662) 3.530 24.950 ( -0.326 -0.593 -0.369) 0.771 25.117 ( -6.664 -5.286 -1.029) 8.567 25.710 ( 6.926 8.813 -3.907) 11.870 25.962 ( -0.323 7.504 -6.395) 9.864 26.019 ( 5.801 6.293 -5.482) 10.164 26.220 ( -0.725 0.742 -0.680) 1.240 26.289 ( -1.330 1.903 -0.796) 2.455 26.436 ( 0.170 1.868 -1.428) 2.358 26.520 ( 6.424 7.042 -4.538) 10.557 43.772 ( 0.268 -5.124 -8.954) 10.320 44.180 ( -1.788 7.030 -14.957) 16.623 50.264 ( 10.352 2.615 -2.388) 10.941 50.295 ( -2.159 -1.809 -2.457) 3.737 51.110 ( -0.255 -6.936 -2.697) 7.446 51.503 ( -0.542 4.674 -6.367) 7.917 59.382 ( -2.314 -0.105 -0.310) 2.337 59.403 ( 0.048 0.444 -0.129) 0.465 ======================= Grid point 174 (55/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.990 -3.169 2.431) 4.115 1.382 ( 0.255 -0.441 -1.766) 1.838 1.566 ( 0.600 -13.562 5.269) 14.562 1.720 ( -2.026 1.519 -0.568) 2.595 1.729 ( -2.757 1.739 1.193) 3.472 1.801 ( 1.893 9.523 5.190) 11.010 2.239 ( -5.924 -3.513 -2.118) 7.206 2.277 ( -5.109 -2.497 -4.613) 7.323 2.297 ( 8.079 1.939 -0.813) 8.348 2.386 ( 2.570 6.966 -4.032) 8.449 2.565 ( -0.075 -1.921 -8.594) 8.807 2.580 ( 2.305 0.362 -10.197) 10.460 2.685 ( -1.458 -6.087 1.463) 6.428 2.802 ( -1.224 5.457 -4.293) 7.050 3.480 ( 6.249 -1.912 6.421) 9.162 3.503 ( 1.662 -0.535 4.294) 4.636 3.672 ( -3.629 -1.658 7.286) 8.307 3.710 ( -2.503 1.450 9.008) 9.461 14.377 ( -1.242 -4.901 1.004) 5.155 14.456 ( 1.561 4.471 -0.037) 4.736 14.759 ( -0.139 -5.826 5.742) 8.181 14.829 ( 0.727 1.845 4.362) 4.792 17.526 ( -2.721 -11.804 -0.345) 12.118 17.742 ( 1.948 12.588 -4.028) 13.360 22.784 ( 0.914 -1.250 18.441) 18.506 22.819 ( -1.596 1.211 18.454) 18.562 23.476 ( -1.667 -18.835 2.311) 19.049 23.785 ( 2.617 14.631 3.022) 15.167 24.053 ( -1.143 -1.695 3.040) 3.663 24.082 ( 0.175 1.281 3.481) 3.714 24.302 ( 0.748 -0.649 0.868) 1.317 24.308 ( 1.186 -0.199 -0.764) 1.425 24.548 ( -4.626 -7.152 -2.482) 8.872 24.564 ( 7.010 -0.400 -2.009) 7.303 24.790 ( 0.978 -0.238 -3.713) 3.847 24.831 ( -2.721 1.787 -3.117) 4.507 24.942 ( -0.808 -2.249 -0.679) 2.484 24.953 ( -0.476 -0.101 -0.684) 0.840 25.287 ( -10.040 -18.487 -5.274) 21.688 25.550 ( 9.949 15.484 -6.139) 19.402 25.869 ( -1.486 0.096 -7.094) 7.249 25.925 ( 3.153 6.471 -7.050) 10.075 26.221 ( 0.916 -0.621 -0.133) 1.114 26.249 ( -1.245 1.280 -0.075) 1.787 26.421 ( 0.222 -0.195 -1.349) 1.381 26.449 ( 1.271 3.202 -2.127) 4.049 43.890 ( 0.340 -6.841 -17.218) 18.530 44.032 ( -0.799 7.427 -19.414) 20.801 50.290 ( 8.485 2.341 -2.379) 9.118 50.302 ( -5.384 -2.011 -2.440) 6.244 51.248 ( -0.020 -7.520 -8.404) 11.277 51.388 ( -0.287 6.800 -9.589) 11.759 59.377 ( -1.482 -0.934 -0.145) 1.758 59.390 ( 0.545 1.062 -0.169) 1.206 ======================= Grid point 180 (56/125) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 9.349 0.000 13.763) 16.638 0.777 ( -1.119 -0.000 19.460) 19.492 1.353 ( 12.182 0.000 20.747) 24.059 1.437 ( 3.453 0.000 4.741) 5.865 1.543 ( -1.000 -0.000 4.759) 4.863 2.008 ( 1.546 0.000 1.091) 1.892 2.232 ( -1.531 -0.000 -8.607) 8.742 2.340 ( -4.166 -0.000 -5.982) 7.290 2.415 ( -12.090 -0.000 3.678) 12.637 2.549 ( -5.833 -0.000 1.496) 6.021 2.712 ( 1.918 0.000 3.385) 3.891 2.803 ( 1.852 0.000 2.911) 3.450 2.859 ( -0.202 -0.000 -3.472) 3.478 2.930 ( 5.622 0.000 -3.306) 6.522 2.936 ( 6.519 0.000 3.468) 7.384 3.436 ( 2.328 0.000 -4.974) 5.492 3.566 ( -1.734 -0.000 -2.229) 2.824 3.756 ( -3.212 -0.000 -3.274) 4.587 14.132 ( 1.289 0.000 4.253) 4.444 14.242 ( 0.056 0.000 8.992) 8.993 14.614 ( 1.000 0.000 -3.277) 3.426 14.711 ( 1.111 0.000 1.711) 2.040 17.012 ( -0.637 -0.000 10.931) 10.950 18.363 ( -0.366 -0.000 -9.920) 9.927 22.399 ( 0.314 0.000 -0.116) 0.335 22.424 ( -0.289 -0.000 -1.904) 1.926 22.765 ( 0.479 0.000 13.624) 13.632 23.714 ( 0.103 0.000 5.487) 5.488 23.774 ( 3.683 0.000 9.581) 10.265 24.103 ( 0.190 0.000 -2.710) 2.717 24.174 ( -13.305 -0.000 23.332) 26.859 24.239 ( 0.134 0.000 -7.436) 7.437 24.307 ( -0.480 -0.000 8.223) 8.237 24.540 ( -3.466 -0.000 -0.292) 3.479 24.546 ( 4.284 0.000 3.142) 5.313 24.798 ( 1.886 0.000 2.385) 3.041 24.924 ( -0.239 -0.000 1.080) 1.106 24.935 ( 0.278 0.000 1.328) 1.357 25.069 ( -12.624 -0.000 6.833) 14.355 25.865 ( 4.057 0.000 0.804) 4.136 26.115 ( 8.429 0.000 -3.537) 9.141 26.264 ( 0.069 0.000 -1.138) 1.140 26.328 ( -2.113 -0.000 -2.987) 3.659 26.338 ( -4.145 -0.000 -0.016) 4.145 26.607 ( -5.206 -0.000 -3.320) 6.175 26.916 ( 43.180 0.000 -30.873) 53.082 43.664 ( 0.035 0.000 15.721) 15.721 44.507 ( -9.001 -0.000 8.175) 12.160 50.242 ( 1.548 0.000 -1.519) 2.169 50.306 ( 15.057 0.000 -5.447) 16.012 50.889 ( -0.162 -0.000 14.281) 14.282 51.507 ( 0.186 0.000 5.223) 5.226 59.392 ( 0.161 0.000 0.680) 0.699 59.426 ( -2.885 -0.000 -1.147) 3.104 ======================= Grid point 181 (57/125) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 6.425 -6.291 14.309) 16.900 0.860 ( 5.928 -5.785 13.211) 15.593 1.439 ( 1.091 0.031 0.625) 1.258 1.561 ( 4.810 -5.198 8.026) 10.704 1.591 ( 8.580 -7.121 13.581) 17.572 1.998 ( 1.093 1.877 0.647) 2.266 2.247 ( -11.671 0.908 -1.189) 11.766 2.252 ( -0.977 -2.609 -7.325) 7.837 2.318 ( -10.905 1.377 -0.787) 11.020 2.555 ( 0.423 -1.289 0.061) 1.358 2.638 ( -1.940 6.249 1.908) 6.816 2.706 ( 4.051 7.167 0.359) 8.241 2.828 ( -1.062 3.700 -3.751) 5.374 2.977 ( 3.415 0.800 0.039) 3.507 3.086 ( 8.675 -7.382 2.750) 11.718 3.452 ( 1.667 -0.030 -3.222) 3.628 3.596 ( -1.368 -3.876 -0.298) 4.122 3.720 ( -4.678 0.557 -2.802) 5.482 14.154 ( 0.665 -1.558 4.282) 4.605 14.305 ( 0.772 -5.955 8.618) 10.503 14.616 ( 1.473 0.935 -3.002) 3.472 14.735 ( 1.341 -1.626 1.837) 2.796 17.047 ( -1.183 -4.202 9.938) 10.854 18.310 ( -0.265 5.067 -9.632) 10.887 22.504 ( 0.203 -9.231 -1.327) 9.329 22.552 ( -1.415 -12.426 0.007) 12.507 22.766 ( 0.673 0.193 14.337) 14.354 23.762 ( -0.542 -4.248 4.776) 6.415 23.856 ( 4.381 -5.274 10.222) 12.308 24.030 ( -5.390 -0.835 16.219) 17.111 24.192 ( -5.676 -5.367 8.208) 11.331 24.243 ( 0.700 -0.384 -6.670) 6.718 24.316 ( 0.452 -0.565 5.496) 5.544 24.472 ( -2.472 4.053 0.795) 4.814 24.565 ( 1.944 0.587 2.918) 3.555 24.794 ( 1.459 1.374 1.318) 2.399 24.920 ( -0.534 0.231 0.362) 0.685 24.937 ( 0.423 -0.074 1.033) 1.119 25.017 ( -7.690 -2.532 4.469) 9.247 25.885 ( 4.193 1.533 -0.294) 4.474 26.150 ( 5.496 1.624 -3.014) 6.475 26.230 ( 0.747 3.429 -2.290) 4.191 26.277 ( -4.567 2.136 -3.109) 5.923 26.328 ( -2.429 -0.481 -0.656) 2.561 26.539 ( -3.679 2.598 -2.864) 5.337 27.077 ( 39.232 17.407 -34.801) 55.256 43.668 ( 0.204 -0.594 12.078) 12.094 44.391 ( -7.915 3.745 6.708) 11.030 50.259 ( 1.544 -0.312 -1.075) 1.907 50.396 ( 16.779 3.550 -6.279) 18.264 50.914 ( -0.280 -2.757 11.643) 11.968 51.542 ( -0.310 -2.360 2.996) 3.827 59.394 ( -2.994 0.421 -0.597) 3.081 59.398 ( -0.454 -0.249 0.303) 0.600 ======================= Grid point 182 (58/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.251 -10.130 10.179) 14.363 1.084 ( 11.452 -9.215 9.257) 17.371 1.423 ( -0.215 1.307 -1.256) 1.825 1.659 ( -0.258 -4.879 4.208) 6.448 1.788 ( 1.214 -2.426 2.305) 3.560 1.967 ( 1.345 1.806 -0.130) 2.255 2.159 ( -11.640 -0.766 1.021) 11.709 2.248 ( -1.842 -3.867 3.444) 5.496 2.293 ( -1.516 -0.228 -2.437) 2.879 2.502 ( -0.427 4.670 -2.544) 5.335 2.582 ( 2.134 -0.225 0.165) 2.153 2.634 ( 3.589 3.744 -4.120) 6.624 2.722 ( 0.593 6.934 -5.490) 8.864 2.954 ( 0.208 2.856 -3.968) 4.893 3.294 ( 8.693 -7.188 7.170) 13.366 3.470 ( 0.613 -0.900 0.761) 1.328 3.654 ( -4.086 -0.831 0.800) 4.245 3.672 ( -3.120 -1.790 1.651) 3.958 14.205 ( -0.201 -3.514 3.519) 4.977 14.455 ( 0.877 -8.478 8.052) 11.725 14.596 ( 1.862 2.496 -2.070) 3.739 14.789 ( 1.321 -2.641 2.096) 3.621 17.146 ( -2.201 -7.436 7.319) 10.663 18.174 ( 0.252 8.985 -8.754) 12.547 22.725 ( 0.112 -9.391 5.780) 11.027 22.741 ( -2.324 -6.380 8.514) 10.890 22.799 ( -0.261 -8.144 8.734) 11.944 23.841 ( -0.985 -4.747 4.403) 6.549 24.011 ( 2.413 -6.012 10.040) 11.948 24.119 ( -1.363 -9.612 5.732) 11.274 24.239 ( 0.406 -0.047 1.101) 1.175 24.274 ( 1.956 -2.258 -1.727) 3.451 24.353 ( -4.761 -4.584 8.337) 10.639 24.366 ( -0.918 2.160 -1.459) 2.763 24.585 ( 1.716 -2.156 1.653) 3.213 24.783 ( 0.240 0.295 -0.843) 0.925 24.903 ( -0.833 1.044 -1.145) 1.760 24.945 ( 0.605 -0.290 0.453) 0.810 25.020 ( -4.758 -2.280 1.952) 5.625 25.859 ( 2.165 3.839 -2.929) 5.291 26.115 ( 0.750 6.901 -6.142) 9.268 26.155 ( 3.483 3.426 -3.469) 5.992 26.223 ( -1.267 0.732 -1.191) 1.887 26.307 ( -1.806 0.972 -0.930) 2.252 26.476 ( -0.399 2.311 -2.038) 3.107 26.914 ( 23.885 22.903 -23.014) 40.308 43.700 ( 0.377 -2.684 2.448) 3.653 44.268 ( -4.368 4.311 -3.556) 7.093 50.270 ( 0.035 -0.030 -0.843) 0.845 50.436 ( 15.040 5.000 -5.094) 16.647 50.988 ( -0.431 -5.272 5.225) 7.435 51.553 ( -0.800 1.022 -1.226) 1.786 59.359 ( -3.537 0.158 -0.225) 3.548 59.404 ( 0.011 -0.207 0.192) 0.283 ======================= Grid point 183 (59/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -2.189 -9.016 5.233) 10.652 1.351 ( 8.392 -8.695 6.347) 13.650 1.416 ( 2.769 -1.460 -2.106) 3.772 1.699 ( -10.020 3.173 -5.050) 11.661 1.723 ( -1.678 -1.949 5.580) 6.144 1.960 ( 3.158 1.549 -0.206) 3.523 2.121 ( -10.036 -4.209 -1.019) 10.930 2.191 ( -4.876 5.718 2.821) 8.026 2.404 ( 9.786 -3.824 4.368) 11.379 2.497 ( 2.512 -0.767 -7.754) 8.186 2.582 ( 1.180 2.735 -4.255) 5.194 2.599 ( 0.950 2.945 -3.847) 4.937 2.618 ( 2.960 1.019 -6.808) 7.493 2.882 ( -1.279 3.957 -4.952) 6.467 3.471 ( 5.089 -3.717 6.805) 9.275 3.487 ( -1.083 -1.135 3.821) 4.130 3.604 ( -5.618 -1.406 4.042) 7.062 3.709 ( 0.662 -1.012 6.768) 6.875 14.279 ( -0.801 -4.446 2.356) 5.096 14.547 ( 1.431 3.433 -1.092) 3.876 14.626 ( 0.687 -7.760 7.218) 10.620 14.840 ( 1.121 -1.271 2.856) 3.321 17.293 ( -2.833 -10.028 3.604) 11.026 17.983 ( 1.061 11.224 -7.070) 13.307 22.768 ( 0.586 -0.938 17.166) 17.201 22.805 ( -2.294 -1.543 14.943) 15.197 23.100 ( -1.147 -18.905 1.651) 19.011 23.921 ( 0.082 -3.151 3.725) 4.880 24.080 ( -0.333 -0.929 5.829) 5.912 24.121 ( 0.953 9.672 2.999) 10.171 24.260 ( -2.617 -4.447 3.167) 6.055 24.316 ( 1.268 0.008 -0.645) 1.422 24.374 ( 0.707 -4.593 -4.047) 6.162 24.550 ( 1.307 -10.857 1.801) 11.083 24.720 ( -2.899 -13.284 -0.213) 13.598 24.789 ( 1.155 -0.685 -2.327) 2.687 24.865 ( -0.963 2.232 -2.724) 3.651 24.955 ( 0.653 -0.115 -0.149) 0.680 25.026 ( -4.532 -2.514 0.382) 5.196 25.792 ( 2.369 4.270 -6.159) 7.860 25.964 ( 1.283 9.129 -7.717) 12.022 26.100 ( 4.330 6.510 -5.651) 9.647 26.218 ( 0.868 -0.116 -0.689) 1.114 26.268 ( -1.537 1.561 -0.638) 2.281 26.441 ( 0.778 1.618 -1.627) 2.423 26.650 ( 9.719 16.542 -11.239) 22.235 43.777 ( 0.308 -5.060 -8.772) 10.131 44.150 ( -1.937 5.686 -13.956) 15.194 50.257 ( -2.472 0.381 -0.749) 2.611 50.441 ( 11.670 5.231 -4.380) 13.518 51.105 ( -0.292 -7.121 -2.535) 7.564 51.494 ( -0.621 4.424 -6.357) 7.769 59.342 ( -2.635 -0.982 0.201) 2.819 59.404 ( 0.065 0.255 -0.101) 0.282 ======================= Grid point 184 (60/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -4.009 -3.334 -1.355) 5.387 1.421 ( 2.484 0.191 0.462) 2.534 1.571 ( -4.581 -5.864 3.470) 8.210 1.670 ( 3.862 -6.607 2.064) 7.926 1.724 ( 0.394 1.003 1.427) 1.789 1.879 ( 5.599 10.515 4.935) 12.894 2.121 ( -8.075 -4.198 -1.806) 9.278 2.161 ( -8.260 -7.230 -2.972) 11.373 2.405 ( 4.226 5.979 -4.438) 8.562 2.464 ( 5.964 6.065 -4.353) 9.555 2.565 ( 0.024 0.049 -10.472) 10.472 2.612 ( 1.569 1.413 -4.124) 4.633 2.699 ( 3.403 -6.439 -3.461) 8.064 2.798 ( 0.805 4.202 -1.575) 4.559 3.456 ( -6.098 0.841 5.362) 8.163 3.480 ( -5.708 0.333 2.982) 6.449 3.680 ( 4.108 -3.805 10.833) 12.194 3.726 ( 3.322 0.284 7.806) 8.488 14.358 ( -1.119 -4.593 1.206) 4.879 14.479 ( 1.314 4.609 -0.240) 4.799 14.756 ( -0.268 -5.239 6.093) 8.040 14.841 ( 0.732 2.165 4.052) 4.652 17.485 ( -2.418 -12.170 -0.384) 12.414 17.772 ( 1.810 11.832 -4.239) 12.699 22.792 ( -0.925 -0.137 17.905) 17.929 22.801 ( 0.429 -0.911 18.646) 18.673 23.449 ( -1.682 -18.199 2.630) 18.465 23.825 ( 2.352 15.355 2.418) 15.721 24.036 ( -0.967 -2.563 2.286) 3.568 24.080 ( -0.435 0.366 4.285) 4.322 24.290 ( -2.666 -0.943 3.988) 4.889 24.310 ( -0.854 0.674 -2.172) 2.429 24.441 ( -4.726 -3.537 -0.941) 5.978 24.708 ( 7.936 -0.884 -3.386) 8.674 24.792 ( -2.123 2.515 -3.805) 5.031 24.831 ( 4.036 -1.998 -3.238) 5.546 24.932 ( -0.116 -3.535 -0.779) 3.622 24.961 ( 0.842 -0.233 -0.287) 0.920 25.132 ( -9.376 -17.159 -2.373) 19.697 25.690 ( 7.562 13.733 -9.179) 18.167 25.842 ( -1.910 0.338 -6.742) 7.015 25.972 ( 2.765 8.629 -8.073) 12.135 26.222 ( -1.050 0.515 -0.018) 1.170 26.244 ( 0.805 -0.250 -0.003) 0.843 26.426 ( 0.548 0.464 -1.402) 1.575 26.477 ( 2.077 6.233 -3.967) 7.675 43.895 ( 0.284 -6.983 -17.107) 18.480 44.020 ( -0.664 6.822 -19.198) 20.385 50.221 ( -4.743 0.387 -0.756) 4.818 50.418 ( 7.461 4.834 -4.095) 9.788 51.248 ( -0.022 -7.745 -8.293) 11.347 51.384 ( -0.247 6.538 -9.642) 11.652 59.355 ( -1.328 -1.817 0.182) 2.257 59.398 ( 0.473 0.486 -0.277) 0.733 ======================= Grid point 185 (61/125) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -2.454 0.827 1.923) 3.226 1.375 ( -1.376 3.767 1.892) 4.434 1.611 ( 4.328 10.909 4.786) 12.675 1.662 ( -3.025 -4.589 3.108) 6.315 1.796 ( 2.366 -1.696 -2.757) 4.009 1.835 ( 3.147 -2.545 4.249) 5.868 2.150 ( -7.526 -4.219 -2.572) 9.004 2.266 ( -2.326 -7.921 -3.732) 9.059 2.354 ( 4.410 1.986 -3.319) 5.866 2.414 ( 4.048 2.129 -4.369) 6.325 2.533 ( -3.198 1.404 -9.867) 10.467 2.578 ( 0.859 3.379 -6.611) 7.473 2.732 ( 3.835 4.085 2.891) 6.305 2.831 ( 2.192 -4.197 -5.583) 7.320 3.358 ( -7.811 3.902 7.501) 11.511 3.437 ( -4.975 -0.752 3.377) 6.060 3.735 ( 3.474 0.086 7.172) 7.970 3.768 ( 3.538 -0.581 8.337) 9.075 14.393 ( 0.792 5.160 0.818) 5.285 14.435 ( -1.056 -4.301 0.136) 4.431 14.759 ( -0.068 6.018 5.465) 8.129 14.821 ( -0.354 -1.259 4.629) 4.810 17.562 ( 1.700 11.286 -0.381) 11.419 17.717 ( -1.148 -13.060 -3.831) 13.659 22.772 ( -0.568 0.866 18.226) 18.255 22.840 ( 1.076 -1.718 19.024) 19.132 23.497 ( 0.969 19.446 1.920) 19.565 23.749 ( -1.886 -14.239 3.180) 14.711 24.067 ( 0.645 1.050 3.834) 4.027 24.079 ( -0.102 -1.287 2.721) 3.012 24.269 ( -3.362 -0.361 -1.553) 3.721 24.285 ( -1.204 1.246 -1.248) 2.135 24.453 ( -3.945 -1.903 0.736) 4.442 24.613 ( 1.075 10.946 -3.761) 11.624 24.800 ( 1.421 0.387 -2.521) 2.919 24.874 ( 2.519 0.469 -2.847) 3.830 24.944 ( 0.009 0.675 -0.683) 0.960 24.994 ( 3.921 -0.259 -1.921) 4.374 25.407 ( -7.505 -15.667 -2.992) 17.627 25.419 ( 6.058 17.370 -7.906) 20.023 25.879 ( -1.691 -3.255 -6.051) 7.076 25.889 ( 0.221 -0.832 -7.160) 7.212 26.207 ( -0.820 -0.239 0.151) 0.867 26.268 ( 1.001 -1.229 0.067) 1.587 26.415 ( -0.423 0.590 -1.525) 1.689 26.442 ( 0.147 -0.857 -1.550) 1.777 43.885 ( -0.227 6.686 -17.326) 18.572 44.043 ( 0.543 -7.945 -19.616) 21.171 50.177 ( -5.549 -0.135 -0.854) 5.616 50.374 ( 3.518 4.130 -3.924) 6.695 51.248 ( 0.010 7.306 -8.502) 11.210 51.392 ( 0.192 -7.016 -9.544) 11.847 59.383 ( -0.364 -1.569 -0.068) 1.612 59.397 ( 0.956 0.149 -0.429) 1.058 ======================= Grid point 186 (62/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -2.510 12.086 10.236) 16.036 1.377 ( 3.750 14.895 10.052) 18.357 1.397 ( 0.259 -3.079 -3.440) 4.624 1.758 ( 0.695 -3.332 2.252) 4.082 1.796 ( -2.851 2.018 -0.854) 3.596 1.814 ( -2.162 4.365 3.787) 6.170 2.195 ( -1.431 -4.839 -2.901) 5.821 2.385 ( 5.945 -0.433 -2.143) 6.334 2.409 ( 5.027 -4.568 -1.427) 6.941 2.454 ( 0.147 -0.581 -5.183) 5.217 2.493 ( -4.416 -1.214 -6.088) 7.618 2.520 ( -3.279 -2.352 -5.477) 6.802 2.701 ( 4.584 1.902 2.694) 5.647 2.905 ( 0.247 -2.827 -7.474) 7.994 3.200 ( -6.305 6.545 8.386) 12.366 3.430 ( -1.789 -0.969 1.954) 2.821 3.749 ( 1.634 1.243 5.677) 6.037 3.777 ( 1.822 1.193 4.309) 4.828 14.298 ( 0.262 5.128 1.973) 5.500 14.504 ( -0.677 -3.519 -0.824) 3.677 14.612 ( -0.177 8.817 6.756) 11.109 14.813 ( -0.382 1.643 3.251) 3.663 17.364 ( 0.980 10.423 3.960) 11.193 17.959 ( -0.309 -12.404 -6.546) 14.029 22.756 ( -0.137 0.524 17.300) 17.309 22.862 ( 0.779 1.076 16.065) 16.120 23.124 ( 0.265 19.421 1.492) 19.480 23.921 ( -0.047 -2.519 3.702) 4.478 24.044 ( -1.031 2.733 2.369) 3.761 24.090 ( -0.780 -3.320 5.783) 6.714 24.240 ( -1.249 1.009 -6.972) 7.155 24.296 ( 0.173 -2.611 -0.736) 2.718 24.375 ( -0.117 13.250 -2.951) 13.575 24.468 ( -1.208 -2.039 0.479) 2.418 24.723 ( -0.311 8.399 2.149) 8.675 24.873 ( 1.010 3.037 -1.560) 3.561 24.919 ( 0.877 1.132 -2.005) 2.464 24.972 ( 1.796 3.621 -1.881) 4.458 25.203 ( 3.530 6.407 -3.031) 7.918 25.622 ( -3.469 -10.591 -1.361) 11.227 25.930 ( -3.156 -3.140 -3.738) 5.813 25.977 ( 0.019 -7.453 -5.995) 9.565 26.228 ( 0.254 -2.255 -0.458) 2.315 26.309 ( 1.031 -2.438 -1.112) 2.871 26.423 ( -1.307 -1.972 -1.097) 2.608 26.467 ( -0.805 -1.848 -1.429) 2.470 43.769 ( -0.105 5.164 -9.076) 10.443 44.201 ( 0.729 -7.976 -15.673) 17.600 50.147 ( -4.121 -0.809 -1.001) 4.317 50.319 ( 0.852 3.245 -3.573) 4.902 51.112 ( 0.101 6.819 -2.802) 7.373 51.509 ( 0.216 -4.838 -6.374) 8.005 59.402 ( 0.035 -0.550 -0.178) 0.579 59.408 ( 0.863 -0.521 -0.633) 1.190 ======================= Grid point 187 (63/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.000 11.937 12.098) 16.996 1.114 ( -0.000 13.680 13.726) 19.379 1.443 ( 0.000 -0.973 -1.061) 1.439 1.614 ( -0.000 12.265 11.834) 17.043 1.672 ( -0.000 6.581 2.191) 6.936 1.883 ( 0.000 -5.431 1.816) 5.727 2.283 ( 0.000 -3.962 -4.078) 5.685 2.368 ( -0.000 5.343 -8.143) 9.739 2.438 ( 0.000 -1.603 -1.606) 2.269 2.471 ( 0.000 -2.241 -0.815) 2.385 2.569 ( 0.000 -7.492 1.856) 7.718 2.658 ( 0.000 -8.692 -1.449) 8.812 2.733 ( 0.000 -2.122 -1.901) 2.849 2.946 ( 0.000 -1.341 -7.783) 7.898 3.025 ( -0.000 8.644 8.619) 12.207 3.434 ( -0.000 0.070 -0.773) 0.776 3.696 ( -0.000 4.178 4.012) 5.792 3.776 ( 0.000 -0.039 -0.220) 0.223 14.208 ( -0.000 4.208 3.066) 5.206 14.434 ( -0.000 8.669 7.931) 11.750 14.563 ( 0.000 -2.438 -1.868) 3.072 14.765 ( -0.000 2.807 2.222) 3.580 17.187 ( -0.000 8.278 7.716) 11.317 18.171 ( 0.000 -9.613 -8.434) 12.789 22.738 ( -0.000 13.562 2.096) 13.723 22.751 ( 0.000 -0.099 15.702) 15.702 22.820 ( -0.000 11.491 5.659) 12.809 23.875 ( -0.000 5.012 6.897) 8.526 23.939 ( -0.000 7.319 1.849) 7.549 24.140 ( -0.000 9.164 0.148) 9.165 24.180 ( 0.000 -4.131 2.722) 4.947 24.234 ( 0.000 -0.686 -5.859) 5.899 24.368 ( 0.000 -4.347 -2.149) 4.850 24.512 ( 0.000 -2.501 -0.395) 2.532 24.535 ( -0.000 8.533 12.161) 14.856 24.800 ( -0.000 3.097 -1.503) 3.443 24.924 ( 0.000 -0.403 -0.699) 0.807 24.939 ( -0.000 0.851 0.403) 0.942 25.174 ( 0.000 -0.194 0.004) 0.194 25.756 ( 0.000 -5.039 0.124) 5.040 25.955 ( 0.000 -1.543 -1.709) 2.303 26.122 ( 0.000 -6.727 -3.867) 7.759 26.283 ( 0.000 -2.785 -1.220) 3.041 26.378 ( 0.000 -3.973 -4.206) 5.786 26.451 ( 0.000 -1.248 0.044) 1.249 26.516 ( 0.000 -4.236 -2.375) 4.857 43.693 ( -0.000 2.681 2.373) 3.580 44.355 ( 0.000 -7.864 -7.183) 10.651 50.149 ( 0.000 -1.166 -1.176) 1.656 50.269 ( -0.000 2.137 -2.948) 3.641 50.996 ( -0.000 5.249 5.149) 7.353 51.568 ( 0.000 -0.986 -1.449) 1.753 59.404 ( -0.000 0.292 0.107) 0.311 59.426 ( 0.000 -0.906 -0.959) 1.319 ======================= Grid point 190 (64/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 6.787 0.000 13.562) 15.165 0.925 ( 14.521 0.000 10.710) 18.043 1.466 ( 4.054 0.000 0.904) 4.154 1.527 ( -0.754 -0.000 5.087) 5.143 1.606 ( 15.238 0.000 19.409) 24.676 2.006 ( -2.717 -0.000 -1.131) 2.944 2.158 ( -15.447 -0.000 -1.506) 15.520 2.208 ( -12.610 -0.000 2.720) 12.900 2.237 ( 1.224 0.000 -4.478) 4.642 2.575 ( 4.917 0.000 -3.116) 5.821 2.690 ( -2.814 -0.000 1.260) 3.083 2.800 ( -5.148 -0.000 -4.687) 6.962 2.876 ( 5.263 0.000 3.903) 6.552 3.021 ( 4.432 0.000 -0.252) 4.439 3.037 ( 6.443 0.000 4.342) 7.770 3.479 ( 2.917 0.000 -4.750) 5.574 3.530 ( -2.825 -0.000 -2.659) 3.879 3.691 ( -4.764 -0.000 -4.333) 6.439 14.156 ( 1.602 0.000 4.393) 4.675 14.242 ( 0.050 0.000 9.353) 9.353 14.634 ( 1.550 0.000 -3.362) 3.702 14.733 ( 1.667 0.000 1.760) 2.424 16.999 ( -0.962 -0.000 10.645) 10.688 18.357 ( -0.329 -0.000 -9.993) 9.999 22.405 ( 0.482 0.000 -0.449) 0.659 22.418 ( -0.351 -0.000 -1.987) 2.018 22.774 ( 0.615 0.000 14.011) 14.025 23.716 ( 0.118 0.000 7.432) 7.433 23.850 ( 5.917 0.000 10.803) 12.318 23.941 ( -14.777 -0.000 37.529) 40.334 24.108 ( 0.366 0.000 -1.808) 1.845 24.240 ( 0.056 0.000 -5.559) 5.559 24.333 ( 2.777 0.000 1.798) 3.308 24.471 ( -5.249 -0.000 -0.449) 5.268 24.600 ( 2.758 0.000 6.010) 6.613 24.835 ( 2.733 0.000 2.033) 3.406 24.912 ( -3.634 -0.000 3.042) 4.740 24.930 ( -3.466 -0.000 2.449) 4.244 24.941 ( 0.464 0.000 1.313) 1.392 25.924 ( 2.001 0.000 -0.282) 2.021 26.194 ( 2.869 0.000 -2.160) 3.591 26.257 ( -2.831 -0.000 -2.216) 3.595 26.279 ( -1.664 -0.000 -4.903) 5.178 26.297 ( -1.694 -0.000 -0.303) 1.721 26.536 ( -2.851 -0.000 -3.035) 4.164 27.631 ( 44.662 0.000 -60.053) 74.840 43.665 ( 0.060 0.000 15.750) 15.750 44.350 ( -10.284 -0.000 15.915) 18.949 50.274 ( 2.360 0.000 -0.023) 2.360 50.582 ( 18.869 0.000 -10.478) 21.583 50.887 ( 0.013 0.000 13.415) 13.415 51.510 ( 0.281 0.000 5.308) 5.315 59.371 ( -3.883 -0.000 -1.035) 4.018 59.396 ( 0.245 0.000 0.710) 0.751 ======================= Grid point 191 (65/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 8.470 -4.334 9.102) 13.167 1.066 ( 15.077 -3.219 9.370) 18.041 1.457 ( 1.278 2.187 1.200) 2.803 1.579 ( 1.204 -3.827 4.411) 5.962 1.753 ( 4.396 -2.816 7.798) 9.384 1.971 ( -4.400 0.381 -1.992) 4.844 2.050 ( -12.562 -0.448 2.808) 12.880 2.130 ( -8.587 -3.754 5.913) 11.081 2.286 ( 5.075 -1.601 -4.514) 6.978 2.598 ( -2.719 5.592 0.452) 6.235 2.610 ( 3.812 0.019 -2.553) 4.588 2.750 ( -0.430 3.508 -3.328) 4.855 2.806 ( 0.123 4.741 -2.069) 5.175 3.038 ( 3.889 4.208 1.881) 6.030 3.189 ( 4.862 -9.283 5.073) 11.642 3.466 ( -0.151 0.676 -2.688) 2.776 3.584 ( 0.093 -4.502 -0.782) 4.570 3.639 ( -5.420 1.374 -4.098) 6.933 14.164 ( 0.546 -0.720 4.808) 4.892 14.317 ( 0.704 -6.422 8.631) 10.781 14.641 ( 1.693 0.769 -3.109) 3.623 14.758 ( 1.520 -1.444 1.888) 2.821 17.026 ( -1.350 -3.634 9.608) 10.361 18.308 ( -0.068 4.843 -9.817) 10.946 22.505 ( -0.321 -9.072 -1.446) 9.192 22.532 ( -0.881 -10.788 -0.069) 10.825 22.776 ( 0.557 0.138 14.725) 14.736 23.755 ( -0.449 -3.420 5.701) 6.663 23.886 ( -6.913 -6.508 30.253) 31.708 23.947 ( 2.515 -4.733 15.408) 16.314 24.140 ( -1.498 -2.940 0.404) 3.324 24.253 ( 0.579 -1.193 -4.495) 4.687 24.350 ( 2.946 0.551 0.133) 3.000 24.417 ( -4.072 1.720 -0.757) 4.485 24.599 ( 2.190 1.379 6.012) 6.545 24.810 ( 0.195 2.097 1.621) 2.657 24.910 ( -0.689 -0.104 0.394) 0.800 24.933 ( -1.898 -1.839 1.596) 3.088 24.952 ( 0.202 -1.085 2.048) 2.327 25.907 ( -2.744 1.621 -1.682) 3.604 26.203 ( 0.009 2.095 -4.082) 4.588 26.206 ( -0.993 1.429 -3.777) 4.159 26.250 ( 1.781 1.825 -2.359) 3.474 26.299 ( -1.352 -0.343 -1.048) 1.744 26.510 ( -0.066 1.313 -2.930) 3.211 27.662 ( 33.901 26.722 -53.557) 68.787 43.671 ( 0.241 -0.793 12.046) 12.075 44.270 ( -7.145 0.771 11.550) 13.603 50.286 ( 1.741 0.640 0.635) 1.960 50.666 ( 16.683 5.172 -9.180) 19.732 50.910 ( -0.135 -2.445 10.877) 11.149 51.537 ( -0.356 -1.698 3.295) 3.724 59.336 ( -3.698 0.459 -0.672) 3.786 59.400 ( 0.159 -0.238 0.575) 0.643 ======================= Grid point 192 (66/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 6.438 -5.351 5.368) 9.945 1.281 ( 13.715 -6.990 6.946) 16.888 1.430 ( 1.189 1.036 -0.999) 1.867 1.658 ( 0.120 -3.510 5.749) 6.736 1.679 ( -13.223 3.810 -3.878) 14.297 1.943 ( -4.507 -0.931 -2.033) 5.031 1.967 ( -12.509 -2.347 1.279) 12.792 2.298 ( 6.563 -7.321 8.477) 12.982 2.320 ( 4.610 1.384 4.516) 6.600 2.509 ( 1.439 0.929 -5.994) 6.234 2.635 ( 3.406 0.493 -0.498) 3.477 2.677 ( 1.748 3.916 -5.070) 6.641 2.714 ( -1.442 4.834 -7.163) 8.761 2.954 ( -0.170 5.280 -2.115) 5.690 3.402 ( 5.177 -8.260 8.266) 12.781 3.459 ( -1.751 -0.260 0.715) 1.909 3.553 ( -6.719 1.682 -1.901) 7.182 3.674 ( 1.425 -3.546 3.689) 5.312 14.202 ( -0.215 -2.999 3.860) 4.893 14.466 ( 0.507 -8.120 7.987) 11.401 14.625 ( 1.707 2.303 -1.940) 3.461 14.809 ( 1.156 -2.503 1.998) 3.404 17.113 ( -1.944 -6.755 7.002) 9.921 18.179 ( 0.357 8.539 -9.085) 12.473 22.700 ( -2.550 -7.494 6.486) 10.234 22.733 ( 0.779 -10.364 4.719) 11.414 22.794 ( -0.521 -5.155 11.494) 12.607 23.828 ( -0.708 -4.904 4.490) 6.687 24.036 ( 0.844 -3.794 13.774) 14.312 24.086 ( -2.993 -13.943 14.371) 20.246 24.202 ( -3.881 -7.706 4.099) 9.552 24.276 ( 0.630 1.203 -2.474) 2.822 24.341 ( -1.271 3.236 0.189) 3.482 24.368 ( 2.805 -0.576 -1.850) 3.409 24.617 ( 2.083 -2.251 2.201) 3.775 24.787 ( 0.034 0.208 -0.115) 0.240 24.894 ( -0.312 1.242 -1.373) 1.877 24.949 ( -0.668 -0.881 0.538) 1.230 24.979 ( -0.187 -1.238 1.948) 2.316 25.836 ( -4.314 2.141 -4.376) 6.507 26.118 ( 0.157 5.311 -7.467) 9.164 26.196 ( 1.957 1.753 -1.996) 3.300 26.241 ( 2.670 1.085 -1.927) 3.467 26.281 ( -1.596 1.095 -1.272) 2.316 26.486 ( 1.602 1.888 -3.128) 3.989 27.261 ( 19.370 33.506 -33.893) 51.445 43.706 ( 0.338 -2.686 2.509) 3.691 44.206 ( -3.449 2.114 -1.305) 4.250 50.271 ( 0.015 1.686 0.875) 1.899 50.659 ( 12.806 7.236 -7.370) 16.452 50.982 ( -0.450 -5.296 5.289) 7.498 51.541 ( -0.738 1.054 -1.047) 1.659 59.306 ( -2.998 -0.269 0.179) 3.015 59.405 ( 0.014 -0.133 0.259) 0.291 ======================= Grid point 193 (67/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 2.431 -4.374 0.775) 5.064 1.428 ( 2.256 -1.049 -1.215) 2.769 1.487 ( -3.750 -0.345 2.030) 4.278 1.571 ( 3.502 -6.402 0.436) 7.310 1.707 ( -0.648 -1.991 5.423) 5.813 1.943 ( -7.848 -4.713 -0.566) 9.172 1.964 ( -6.278 -4.404 -3.281) 8.341 2.171 ( 1.226 10.452 5.875) 12.052 2.528 ( 4.649 0.197 -1.356) 4.846 2.542 ( 3.452 -3.964 -1.604) 5.495 2.600 ( 1.093 2.526 -5.574) 6.217 2.615 ( 0.745 4.066 -7.296) 8.386 2.679 ( 4.950 -0.693 -4.734) 6.884 2.861 ( -1.364 3.280 -2.543) 4.369 3.428 ( -5.105 1.141 1.725) 5.508 3.450 ( -4.628 1.158 1.451) 4.987 3.609 ( 3.463 -6.886 10.837) 13.298 3.736 ( 2.021 -1.538 6.921) 7.372 14.268 ( -0.538 -4.088 2.560) 4.853 14.563 ( 0.691 2.398 -0.711) 2.595 14.636 ( 0.595 -6.235 6.970) 9.371 14.855 ( 0.732 -1.107 2.654) 2.967 17.256 ( -1.847 -9.819 3.396) 10.553 17.998 ( 0.744 10.622 -7.399) 12.966 22.767 ( -1.138 -2.024 14.321) 14.508 22.784 ( 0.118 -0.959 17.234) 17.261 23.083 ( -0.942 -18.601 1.621) 18.696 23.923 ( 0.127 -4.897 2.514) 5.506 24.063 ( -1.424 -0.706 9.756) 9.884 24.133 ( 0.602 11.224 0.942) 11.279 24.218 ( -2.328 -3.404 3.339) 5.306 24.317 ( -0.624 0.353 -1.267) 1.456 24.393 ( 1.114 -1.582 -0.458) 1.988 24.527 ( -2.647 -21.895 5.194) 22.658 24.713 ( 1.174 -5.444 -2.605) 6.148 24.810 ( 0.849 -1.751 -1.845) 2.682 24.863 ( 0.664 1.261 -2.991) 3.313 24.958 ( -0.614 -0.621 0.032) 0.873 24.989 ( -0.167 -0.038 0.805) 0.823 25.787 ( -1.686 0.176 -6.277) 6.502 25.993 ( 1.619 8.912 -9.220) 12.925 26.153 ( 2.732 5.647 -4.849) 7.929 26.235 ( -0.925 1.588 -0.744) 1.982 26.248 ( 0.826 0.288 -0.883) 1.243 26.460 ( 1.452 2.083 -2.941) 3.885 26.788 ( 7.107 24.466 -17.054) 30.659 43.781 ( 0.202 -4.998 -8.616) 9.963 44.125 ( -1.213 4.598 -13.159) 13.992 50.225 ( -1.620 2.302 0.750) 2.913 50.595 ( 7.584 7.421 -6.025) 12.202 51.101 ( -0.199 -7.306 -2.385) 7.688 51.485 ( -0.420 4.189 -6.343) 7.613 59.307 ( -1.719 -1.707 0.619) 2.501 59.405 ( 0.042 0.092 -0.074) 0.126 ======================= Grid point 194 (68/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -1.543 -1.896 -3.755) 4.481 1.445 ( 0.631 1.723 3.659) 4.093 1.497 ( -3.089 -5.707 2.937) 7.123 1.741 ( 1.941 -2.833 -1.776) 3.866 1.769 ( 5.219 -5.483 4.558) 8.836 1.938 ( 1.395 10.648 5.840) 12.224 2.017 ( -4.301 -3.504 -3.247) 6.428 2.048 ( -5.108 -9.245 -1.831) 10.720 2.446 ( 1.321 5.107 -6.918) 8.700 2.528 ( 2.365 5.221 -7.136) 9.152 2.560 ( -0.702 2.782 -10.725) 11.102 2.627 ( 0.433 0.156 -0.736) 0.868 2.764 ( 3.239 -2.832 -2.511) 4.982 2.822 ( 1.665 1.030 -0.373) 1.993 3.369 ( -3.830 1.315 4.133) 5.786 3.390 ( -3.962 1.022 3.530) 5.404 3.734 ( 2.031 -3.339 11.082) 11.751 3.770 ( 1.677 -0.844 7.631) 7.859 14.345 ( -0.449 -4.386 1.335) 4.607 14.494 ( 0.503 4.665 -0.377) 4.707 14.752 ( -0.128 -4.767 6.325) 7.921 14.849 ( 0.299 2.303 3.862) 4.507 17.458 ( -0.954 -12.387 -0.433) 12.431 17.793 ( 0.732 11.318 -4.391) 12.162 22.778 ( -0.543 0.012 17.340) 17.349 22.810 ( 0.376 -1.710 19.031) 19.111 23.429 ( -0.730 -17.798 2.762) 18.026 23.853 ( 1.040 16.558 1.725) 16.680 24.027 ( -0.210 -4.148 -0.021) 4.154 24.070 ( -0.674 -0.608 7.408) 7.463 24.232 ( -2.891 -0.485 2.262) 3.703 24.302 ( -0.222 0.780 -1.817) 1.990 24.411 ( -0.420 -0.609 1.508) 1.680 24.767 ( -0.492 5.159 -4.077) 6.594 24.783 ( 1.594 -2.696 -2.983) 4.325 24.906 ( 4.598 -5.012 -3.465) 7.633 24.938 ( 0.981 -5.421 -0.659) 5.548 24.970 ( -0.282 -3.590 0.013) 3.601 25.014 ( -5.422 -10.941 -0.984) 12.251 25.774 ( 3.319 11.786 -10.261) 15.976 25.814 ( -1.665 0.527 -6.884) 7.102 26.004 ( 1.206 10.041 -8.582) 13.264 26.205 ( -0.737 0.680 0.306) 1.048 26.257 ( 0.594 -0.445 0.089) 0.748 26.435 ( 0.456 1.120 -1.965) 2.307 26.503 ( 1.016 8.548 -5.561) 10.249 43.898 ( 0.106 -7.043 -17.043) 18.442 44.013 ( -0.250 6.402 -19.064) 20.112 50.168 ( -1.874 1.952 0.343) 2.728 50.501 ( 2.947 6.451 -5.204) 8.797 51.248 ( -0.010 -7.879 -8.223) 11.388 51.381 ( -0.097 6.352 -9.677) 11.576 59.340 ( -0.530 -2.394 0.398) 2.484 59.403 ( 0.184 0.116 -0.344) 0.407 ======================= Grid point 195 (69/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.000 0.814 2.994) 3.103 1.361 ( -0.000 4.034 1.702) 4.378 1.613 ( 0.000 -5.747 3.074) 6.518 1.686 ( -0.000 12.930 8.187) 15.304 1.804 ( 0.000 -1.685 -6.807) 7.013 1.860 ( 0.000 -1.079 5.155) 5.266 2.089 ( 0.000 -5.103 -3.807) 6.366 2.241 ( 0.000 -11.563 -3.125) 11.977 2.393 ( -0.000 1.055 -2.937) 3.120 2.458 ( -0.000 2.328 -6.651) 7.047 2.493 ( -0.000 3.033 -9.370) 9.848 2.586 ( -0.000 4.076 -4.869) 6.350 2.770 ( -0.000 2.707 2.767) 3.871 2.853 ( 0.000 -2.676 -5.479) 6.097 3.287 ( -0.000 4.886 7.516) 8.964 3.392 ( 0.000 -1.819 2.985) 3.496 3.763 ( 0.000 -0.041 7.293) 7.293 3.797 ( 0.000 -0.362 8.197) 8.205 14.400 ( -0.000 5.254 0.737) 5.305 14.426 ( 0.000 -4.215 0.208) 4.220 14.759 ( -0.000 5.957 5.378) 8.025 14.818 ( 0.000 -0.893 4.718) 4.802 17.575 ( -0.000 10.897 -0.437) 10.905 17.709 ( 0.000 -13.063 -3.727) 13.585 22.768 ( -0.000 0.705 18.149) 18.163 22.849 ( 0.000 -1.907 19.252) 19.346 23.504 ( -0.000 19.705 1.738) 19.782 23.734 ( 0.000 -14.029 3.136) 14.376 24.073 ( -0.000 0.376 5.049) 5.063 24.078 ( 0.000 -0.550 1.496) 1.594 24.235 ( 0.000 -1.675 -2.686) 3.165 24.275 ( -0.000 1.613 -0.763) 1.784 24.426 ( 0.000 -1.486 1.646) 2.218 24.616 ( -0.000 10.693 -4.433) 11.575 24.812 ( -0.000 0.986 -1.738) 1.999 24.894 ( -0.000 1.801 -2.521) 3.099 24.944 ( -0.000 0.751 -0.710) 1.034 25.036 ( 0.000 -0.257 -3.255) 3.265 25.339 ( 0.000 -17.337 -1.132) 17.374 25.470 ( -0.000 17.684 -9.188) 19.928 25.861 ( 0.000 -3.211 -5.149) 6.069 25.894 ( -0.000 0.278 -7.561) 7.566 26.200 ( 0.000 -0.547 0.347) 0.648 26.276 ( 0.000 -1.358 0.231) 1.377 26.412 ( -0.000 1.110 -1.528) 1.889 26.444 ( 0.000 -0.312 -1.704) 1.733 43.884 ( -0.000 6.620 -17.370) 18.589 44.047 ( 0.000 -8.149 -19.700) 21.319 50.132 ( -0.000 0.744 -0.246) 0.783 50.402 ( -0.000 4.967 -4.511) 6.710 51.249 ( -0.000 7.218 -8.542) 11.183 51.393 ( 0.000 -7.098 -9.527) 11.881 59.380 ( 0.000 -1.779 -0.026) 1.780 59.405 ( 0.000 -0.153 -0.541) 0.562 ======================= Grid point 200 (70/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 13.835 0.000 5.869) 15.028 1.166 ( 16.346 0.000 8.002) 18.199 1.525 ( 0.459 0.000 5.872) 5.889 1.526 ( 3.512 0.000 1.659) 3.884 1.739 ( -5.753 -0.000 3.356) 6.660 1.932 ( -6.234 -0.000 -3.837) 7.320 1.982 ( -14.834 -0.000 5.586) 15.851 2.002 ( 2.571 0.000 11.290) 11.579 2.315 ( 6.665 0.000 -4.426) 8.001 2.628 ( 1.132 0.000 -2.652) 2.883 2.637 ( -4.076 -0.000 1.233) 4.258 2.722 ( -4.476 -0.000 -5.428) 7.036 2.944 ( 3.419 0.000 3.943) 5.219 3.064 ( 1.532 0.000 3.323) 3.659 3.128 ( 5.154 0.000 4.787) 7.034 3.485 ( -2.867 -0.000 -3.070) 4.200 3.519 ( 2.177 0.000 -4.600) 5.089 3.621 ( -3.948 -0.000 -6.633) 7.719 14.178 ( 1.179 0.000 4.665) 4.812 14.243 ( 0.011 0.000 9.725) 9.725 14.658 ( 1.377 0.000 -3.432) 3.698 14.758 ( 1.446 0.000 1.830) 2.332 16.985 ( -0.843 -0.000 10.337) 10.371 18.354 ( -0.048 -0.000 -10.156) 10.156 22.412 ( 0.423 0.000 -0.828) 0.929 22.414 ( -0.229 -0.000 -2.128) 2.140 22.782 ( 0.436 0.000 14.490) 14.497 23.717 ( -0.226 -0.000 12.566) 12.568 23.748 ( -9.597 -0.000 36.686) 37.921 23.946 ( 6.222 0.000 11.897) 13.426 24.111 ( -0.162 -0.000 0.356) 0.391 24.242 ( 0.245 0.000 -3.709) 3.717 24.381 ( 3.109 0.000 -0.830) 3.218 24.387 ( -5.420 -0.000 -2.100) 5.813 24.633 ( 1.630 0.000 8.391) 8.548 24.838 ( -3.970 -0.000 3.259) 5.136 24.876 ( 2.415 0.000 2.396) 3.401 24.920 ( -0.100 -0.000 0.185) 0.210 24.949 ( 0.694 0.000 1.615) 1.757 25.884 ( -6.684 -0.000 -1.983) 6.972 26.217 ( -0.570 -0.000 -5.783) 5.811 26.221 ( 0.914 0.000 -1.319) 1.605 26.280 ( -0.568 -0.000 -1.089) 1.228 26.286 ( 1.143 0.000 -3.566) 3.745 26.525 ( 0.868 0.000 -3.541) 3.646 28.207 ( 28.911 0.000 -72.328) 77.892 43.666 ( 0.059 0.000 15.786) 15.786 44.215 ( -6.799 -0.000 20.337) 21.444 50.309 ( 2.065 0.000 1.684) 2.665 50.825 ( 9.282 0.000 -0.928) 9.329 50.906 ( 4.816 0.000 1.682) 5.101 51.514 ( 0.243 0.000 5.400) 5.405 59.316 ( -3.057 -0.000 -1.311) 3.326 59.399 ( 0.214 0.000 0.740) 0.771 ======================= Grid point 201 (71/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 14.409 -1.209 2.804) 14.729 1.308 ( 15.818 -2.228 6.655) 17.305 1.478 ( 1.274 2.855 1.910) 3.663 1.601 ( 1.125 -3.033 5.182) 6.109 1.628 ( -15.492 2.113 -1.751) 15.733 1.837 ( -14.941 0.674 5.538) 15.949 1.898 ( -4.486 -0.431 -4.232) 6.182 2.168 ( 8.601 -9.251 12.702) 17.914 2.386 ( 7.149 -1.167 -2.872) 7.792 2.554 ( -3.195 3.813 -0.153) 4.977 2.638 ( -0.307 -0.987 -0.667) 1.230 2.704 ( -3.626 -0.299 -6.206) 7.194 2.828 ( 1.417 7.897 0.437) 8.035 3.087 ( 2.377 6.631 1.711) 7.248 3.243 ( 2.293 -10.837 7.161) 13.190 3.452 ( -1.197 0.555 -2.474) 2.804 3.562 ( -3.537 2.742 -6.363) 7.779 3.600 ( 0.858 -4.761 -0.605) 4.875 14.170 ( 0.274 -0.137 5.261) 5.270 14.326 ( 0.388 -6.663 8.664) 10.937 14.664 ( 1.109 0.610 -3.150) 3.395 14.779 ( 0.990 -1.293 1.928) 2.524 17.008 ( -0.885 -3.127 9.335) 9.884 18.308 ( 0.094 4.692 -10.042) 11.084 22.494 ( -0.816 -8.698 -1.059) 8.801 22.528 ( 0.104 -9.648 -0.712) 9.674 22.783 ( 0.262 0.204 15.150) 15.154 23.745 ( -1.439 -3.255 9.232) 9.894 23.775 ( -4.599 -9.514 33.406) 35.038 24.012 ( 4.101 -1.789 14.050) 14.745 24.122 ( -1.238 -1.613 0.548) 2.106 24.263 ( 0.841 -1.720 -2.532) 3.175 24.352 ( -3.298 -0.154 -4.428) 5.523 24.399 ( 2.275 0.480 -1.492) 2.763 24.626 ( 1.218 1.277 8.112) 8.302 24.796 ( -1.510 1.054 2.115) 2.804 24.906 ( 0.210 -0.161 0.680) 0.730 24.921 ( -0.081 -0.820 0.995) 1.292 24.964 ( 0.975 -0.871 2.207) 2.565 25.821 ( -6.244 0.845 -3.593) 7.254 26.188 ( -0.012 2.666 -5.753) 6.341 26.223 ( 0.600 0.373 -1.010) 1.233 26.277 ( 0.790 0.419 -2.568) 2.719 26.288 ( 0.368 0.593 -2.624) 2.715 26.526 ( 1.612 0.844 -4.323) 4.691 28.070 ( 18.304 30.672 -61.393) 71.027 43.675 ( 0.162 -0.968 12.022) 12.062 44.184 ( -3.896 -0.865 14.161) 14.713 50.309 ( 1.128 1.480 2.143) 2.838 50.865 ( 6.948 1.868 -0.340) 7.203 50.921 ( 2.985 1.512 0.608) 3.401 51.531 ( -0.277 -1.095 3.574) 3.748 59.289 ( -2.256 0.507 -0.769) 2.436 59.402 ( 0.104 -0.135 0.615) 0.639 ======================= Grid point 202 (72/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 11.951 -0.202 0.220) 11.955 1.436 ( 1.742 0.718 -0.924) 2.098 1.451 ( -14.892 2.246 -2.131) 15.211 1.511 ( 12.823 -5.045 5.061) 14.679 1.661 ( 0.197 -2.434 6.976) 7.391 1.752 ( -13.593 -3.899 3.942) 14.681 1.891 ( -2.401 -1.734 -5.032) 5.839 2.361 ( 1.877 7.526 5.349) 9.422 2.413 ( 4.550 -9.285 9.244) 13.869 2.545 ( 2.612 -2.802 -7.795) 8.685 2.667 ( -0.580 0.116 -3.064) 3.121 2.670 ( -0.754 -0.205 -3.627) 3.710 2.705 ( 0.360 5.476 -4.939) 7.383 2.952 ( -0.133 7.364 -1.545) 7.525 3.431 ( -1.399 1.240 -0.592) 1.961 3.452 ( 1.205 -3.649 3.737) 5.361 3.477 ( -2.260 -2.843 2.682) 4.515 3.695 ( 0.877 -3.936 4.211) 5.831 14.199 ( -0.094 -2.679 4.075) 4.878 14.471 ( 0.155 -7.870 7.926) 11.170 14.644 ( 0.678 2.154 -1.805) 2.891 14.822 ( 0.455 -2.410 1.936) 3.124 17.091 ( -0.769 -6.314 6.799) 9.310 18.183 ( 0.176 8.284 -9.333) 12.481 22.671 ( -1.044 -7.601 5.730) 9.576 22.746 ( 0.720 -13.404 1.679) 13.528 22.784 ( -0.613 -1.391 15.092) 15.168 23.820 ( -0.319 -5.044 4.816) 6.981 24.034 ( -1.296 -16.540 19.597) 25.677 24.049 ( -0.551 -2.968 15.561) 15.851 24.165 ( -1.043 -4.285 0.732) 4.470 24.292 ( 1.258 2.568 -3.199) 4.291 24.318 ( -1.473 0.770 -1.397) 2.172 24.405 ( 1.368 0.084 -1.422) 1.975 24.640 ( 0.833 -2.740 3.037) 4.175 24.785 ( -0.197 -0.721 0.466) 0.881 24.892 ( 0.019 1.257 -1.320) 1.823 24.939 ( -0.320 -0.886 0.938) 1.330 24.988 ( 0.603 -0.665 1.903) 2.104 25.773 ( -2.652 0.312 -5.266) 5.905 26.120 ( 0.123 4.514 -6.976) 8.310 26.219 ( 0.899 0.677 -0.703) 1.327 26.260 ( -0.873 1.861 -2.322) 3.101 26.275 ( 1.129 1.117 -2.570) 3.021 26.513 ( 1.274 1.892 -4.946) 5.447 27.472 ( 7.215 38.412 -38.926) 55.161 43.710 ( 0.135 -2.686 2.548) 3.705 44.168 ( -1.276 0.937 -0.093) 1.585 50.271 ( 0.002 2.806 1.997) 3.444 50.802 ( 5.096 8.562 -8.713) 13.236 50.975 ( -0.303 -5.485 5.505) 7.777 51.532 ( -0.319 1.054 -0.907) 1.427 59.273 ( -1.160 -0.477 0.368) 1.307 59.405 ( 0.006 -0.084 0.301) 0.313 ======================= Grid point 203 (73/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -0.000 1.359 -4.366) 4.573 1.394 ( 0.000 -3.205 2.894) 4.318 1.446 ( 0.000 -1.057 -0.957) 1.426 1.682 ( 0.000 -5.063 4.080) 6.503 1.704 ( 0.000 -2.596 5.260) 5.866 1.815 ( 0.000 -9.321 0.463) 9.333 1.928 ( 0.000 -3.101 -4.918) 5.814 2.186 ( -0.000 10.884 6.222) 12.537 2.557 ( -0.000 4.793 -8.705) 9.938 2.575 ( 0.000 -5.489 4.671) 7.207 2.613 ( -0.000 2.802 -6.220) 6.822 2.617 ( -0.000 2.788 -10.192) 10.567 2.730 ( 0.000 -2.675 -1.013) 2.860 2.848 ( -0.000 2.575 -1.084) 2.794 3.375 ( -0.000 2.184 -0.775) 2.317 3.414 ( -0.000 1.838 2.564) 3.155 3.638 ( 0.000 -7.280 11.288) 13.432 3.754 ( 0.000 -1.822 7.064) 7.295 14.264 ( 0.000 -3.947 2.640) 4.748 14.568 ( -0.000 1.799 -0.410) 1.845 14.641 ( 0.000 -5.445 6.724) 8.652 14.861 ( 0.000 -1.046 2.577) 2.781 17.241 ( 0.000 -9.738 3.312) 10.286 18.004 ( -0.000 10.390 -7.539) 12.837 22.756 ( 0.000 -2.385 13.497) 13.706 22.787 ( 0.000 -0.772 17.904) 17.920 23.075 ( 0.000 -18.507 1.551) 18.572 23.924 ( 0.000 -5.731 1.571) 5.943 24.050 ( 0.000 -0.248 11.766) 11.769 24.138 ( -0.000 11.717 0.518) 11.728 24.199 ( 0.000 -2.291 2.396) 3.315 24.310 ( 0.000 -0.094 -0.680) 0.687 24.400 ( 0.000 -1.864 0.805) 2.030 24.506 ( 0.000 -22.406 5.498) 23.071 24.724 ( 0.000 -4.348 -2.441) 4.987 24.815 ( 0.000 -1.062 -1.918) 2.192 24.871 ( 0.000 -0.489 -2.957) 2.997 24.951 ( 0.000 -0.552 0.275) 0.617 24.993 ( -0.000 0.456 0.708) 0.842 25.770 ( 0.000 -1.037 -6.251) 6.337 26.005 ( -0.000 8.221 -9.384) 12.476 26.181 ( -0.000 6.237 -5.262) 8.160 26.214 ( -0.000 0.544 0.112) 0.556 26.262 ( -0.000 0.612 -1.129) 1.284 26.474 ( -0.000 2.458 -3.930) 4.636 26.846 ( -0.000 27.329 -19.192) 33.395 43.782 ( 0.000 -4.972 -8.556) 9.896 44.116 ( -0.000 4.189 -12.864) 13.529 50.212 ( -0.000 3.059 1.341) 3.340 50.656 ( -0.000 8.277 -6.656) 10.621 51.100 ( 0.000 -7.394 -2.318) 7.749 51.482 ( -0.000 4.087 -6.335) 7.539 59.293 ( 0.000 -1.983 0.777) 2.129 59.405 ( -0.000 0.029 -0.063) 0.069 ======================= Grid point 211 (74/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 16.795 0.000 0.347) 16.799 1.410 ( 13.785 0.000 5.327) 14.778 1.512 ( -16.666 -0.000 -1.998) 16.785 1.537 ( 0.916 0.000 6.772) 6.833 1.569 ( 0.756 0.000 3.412) 3.495 1.743 ( -13.525 -0.000 7.148) 15.298 1.866 ( -2.940 -0.000 -4.791) 5.621 2.128 ( 6.887 0.000 13.102) 14.802 2.416 ( 5.445 0.000 -5.801) 7.956 2.568 ( -4.236 -0.000 3.112) 5.256 2.614 ( -1.862 -0.000 0.817) 2.033 2.673 ( -1.723 -0.000 -5.957) 6.201 2.979 ( 1.163 0.000 3.956) 4.124 3.079 ( 0.449 0.000 5.194) 5.213 3.188 ( 2.191 0.000 4.972) 5.433 3.450 ( -1.388 -0.000 -3.347) 3.623 3.543 ( 0.831 0.000 -4.497) 4.573 3.578 ( -1.513 -0.000 -8.759) 8.889 14.190 ( 0.425 0.000 4.852) 4.871 14.243 ( -0.003 -0.000 9.949) 9.949 14.673 ( 0.547 0.000 -3.465) 3.507 14.774 ( 0.568 0.000 1.875) 1.959 16.975 ( -0.333 -0.000 10.147) 10.153 18.354 ( 0.047 0.000 -10.306) 10.306 22.411 ( -0.072 -0.000 -2.243) 2.244 22.417 ( 0.166 0.000 -1.075) 1.088 22.787 ( 0.147 0.000 14.824) 14.824 23.643 ( -3.451 -0.000 40.648) 40.794 23.719 ( 0.009 0.000 8.969) 8.969 24.032 ( 4.555 0.000 13.689) 14.427 24.096 ( -1.897 -0.000 2.008) 2.763 24.250 ( 0.780 0.000 -1.349) 1.558 24.316 ( -3.149 -0.000 -6.081) 6.848 24.419 ( 1.470 0.000 -2.551) 2.944 24.650 ( 0.525 0.000 9.632) 9.647 24.794 ( -1.527 -0.000 3.030) 3.393 24.902 ( 0.836 0.000 2.431) 2.570 24.920 ( -0.001 -0.000 0.074) 0.074 24.961 ( 0.576 0.000 2.660) 2.721 25.785 ( -4.133 -0.000 -3.794) 5.610 26.219 ( 0.258 0.000 -5.363) 5.369 26.228 ( 0.155 0.000 -0.934) 0.947 26.276 ( -0.074 -0.000 -1.667) 1.668 26.302 ( 0.645 0.000 -4.025) 4.076 26.543 ( 0.951 0.000 -4.777) 4.871 28.505 ( 9.731 0.000 -75.232) 75.859 43.666 ( 0.025 0.000 15.811) 15.811 44.145 ( -2.275 -0.000 21.847) 21.965 50.332 ( 0.813 0.000 2.803) 2.919 50.865 ( 0.284 0.000 14.067) 14.070 51.017 ( 4.830 0.000 -13.378) 14.223 51.517 ( 0.095 0.000 5.457) 5.458 59.283 ( -1.142 -0.000 -1.600) 1.966 59.402 ( 0.084 0.000 0.758) 0.763 ======================= Grid point 212 (75/125) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 -1.236 -1.635) 2.050 1.371 ( -0.000 3.126 -1.222) 3.357 1.486 ( -0.000 3.048 0.806) 3.153 1.514 ( 0.000 -2.837 5.564) 6.246 1.617 ( 0.000 -2.543 6.488) 6.969 1.648 ( -0.000 1.474 8.680) 8.804 1.858 ( 0.000 -0.612 -5.428) 5.462 2.252 ( 0.000 -8.586 11.386) 14.261 2.480 ( 0.000 -3.716 -7.380) 8.262 2.496 ( -0.000 4.995 4.806) 6.931 2.625 ( 0.000 -1.960 1.570) 2.511 2.671 ( 0.000 -0.051 -6.677) 6.677 2.839 ( -0.000 8.158 0.553) 8.176 3.106 ( -0.000 7.623 1.443) 7.758 3.261 ( 0.000 -11.446 7.832) 13.869 3.441 ( -0.000 0.371 -2.477) 2.505 3.533 ( -0.000 3.733 -7.586) 8.455 3.608 ( 0.000 -5.046 -0.375) 5.060 14.172 ( -0.000 0.065 5.435) 5.435 14.329 ( 0.000 -6.725 8.677) 10.978 14.673 ( -0.000 0.546 -3.157) 3.204 14.786 ( 0.000 -1.234 1.942) 2.301 17.001 ( 0.000 -2.925 9.230) 9.683 18.309 ( -0.000 4.646 -10.146) 11.159 22.487 ( 0.000 -8.304 -0.945) 8.357 22.529 ( 0.000 -9.456 -0.947) 9.503 22.785 ( -0.000 0.254 15.338) 15.340 23.718 ( 0.000 -8.176 27.344) 28.541 23.754 ( 0.000 -5.047 15.697) 16.489 24.052 ( -0.000 0.254 17.160) 17.162 24.105 ( 0.000 -2.155 -1.083) 2.412 24.274 ( 0.000 -1.859 0.100) 1.862 24.320 ( 0.000 -1.162 -7.751) 7.838 24.419 ( -0.000 0.520 -2.661) 2.711 24.636 ( -0.000 1.179 8.834) 8.912 24.782 ( -0.000 0.423 2.326) 2.364 24.909 ( -0.000 0.339 0.352) 0.489 24.921 ( 0.000 -0.663 1.214) 1.383 24.974 ( 0.000 -0.934 2.810) 2.961 25.766 ( -0.000 0.264 -4.442) 4.450 26.189 ( -0.000 2.801 -5.477) 6.152 26.227 ( -0.000 0.186 -0.725) 0.748 26.278 ( -0.000 0.239 -2.013) 2.027 26.297 ( -0.000 0.736 -3.680) 3.753 26.542 ( -0.000 0.652 -5.267) 5.307 28.213 ( -0.000 31.633 -63.232) 70.703 43.676 ( 0.000 -1.037 12.013) 12.057 44.154 ( 0.000 -1.337 14.906) 14.966 50.318 ( -0.000 1.812 2.741) 3.286 50.893 ( 0.000 -2.841 11.964) 12.296 50.972 ( -0.000 6.285 -11.979) 13.527 51.529 ( 0.000 -0.839 3.709) 3.803 59.271 ( -0.000 0.544 -0.844) 1.004 59.403 ( 0.000 -0.094 0.631) 0.638 ======================= Grid point 255 (76/125) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 0.000 12.602) 12.602 1.172 ( 0.000 0.000 18.635) 18.635 1.365 ( 0.000 0.000 -2.600) 2.600 1.677 ( 0.000 0.000 8.297) 8.297 1.738 ( 0.000 0.000 20.068) 20.068 2.026 ( 0.000 0.000 2.410) 2.410 2.052 ( 0.000 0.000 -11.667) 11.667 2.251 ( 0.000 0.000 -4.741) 4.741 2.586 ( 0.000 0.000 2.578) 2.578 2.618 ( 0.000 0.000 -6.317) 6.317 2.786 ( 0.000 0.000 4.101) 4.101 2.795 ( 0.000 0.000 8.809) 8.809 2.830 ( 0.000 0.000 -4.968) 4.968 2.856 ( 0.000 0.000 -1.951) 1.951 2.876 ( 0.000 0.000 0.899) 0.899 3.298 ( 0.000 0.000 -7.190) 7.190 3.554 ( 0.000 0.000 -0.270) 0.270 3.717 ( 0.000 0.000 -3.658) 3.658 14.215 ( 0.000 0.000 5.404) 5.404 14.414 ( 0.000 0.000 8.315) 8.315 14.536 ( 0.000 0.000 -3.476) 3.476 14.721 ( 0.000 0.000 -0.064) 0.064 17.264 ( 0.000 0.000 14.515) 14.515 18.141 ( 0.000 0.000 -13.455) 13.455 22.393 ( 0.000 0.000 -0.310) 0.310 22.396 ( 0.000 0.000 -1.170) 1.170 23.052 ( 0.000 0.000 16.595) 16.595 23.802 ( 0.000 0.000 4.553) 4.553 23.864 ( 0.000 0.000 -0.640) 0.640 24.039 ( 0.000 0.000 -3.615) 3.615 24.097 ( 0.000 0.000 -2.596) 2.596 24.298 ( 0.000 0.000 1.071) 1.071 24.457 ( 0.000 0.000 -1.013) 1.013 24.551 ( 0.000 0.000 -1.398) 1.398 24.767 ( 0.000 0.000 13.428) 13.428 24.833 ( 0.000 0.000 2.311) 2.311 24.959 ( 0.000 0.000 2.428) 2.428 24.963 ( 0.000 0.000 1.767) 1.767 25.360 ( 0.000 0.000 13.483) 13.483 25.865 ( 0.000 0.000 2.287) 2.287 25.969 ( 0.000 0.000 -0.744) 0.744 26.220 ( 0.000 0.000 -4.260) 4.260 26.297 ( 0.000 0.000 -2.329) 2.329 26.344 ( 0.000 0.000 -5.804) 5.804 26.442 ( 0.000 0.000 -0.118) 0.118 26.567 ( 0.000 0.000 -5.464) 5.464 43.990 ( 0.000 0.000 17.643) 17.643 44.612 ( 0.000 0.000 -1.122) 1.122 50.154 ( 0.000 0.000 -1.036) 1.036 50.189 ( 0.000 0.000 -2.068) 2.068 51.180 ( 0.000 0.000 15.037) 15.037 51.583 ( 0.000 0.000 2.328) 2.328 59.403 ( 0.000 0.000 0.518) 0.518 59.428 ( 0.000 0.000 -0.898) 0.898 ======================= Grid point 256 (77/125) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 3.169 -5.304 12.687) 14.111 1.221 ( -2.716 -5.973 17.499) 18.689 1.412 ( 1.066 -3.338 -1.918) 3.995 1.665 ( -0.657 0.172 6.812) 6.846 1.779 ( 3.586 -1.864 14.509) 15.062 2.007 ( 1.266 2.464 2.499) 3.731 2.083 ( -0.783 -3.538 -11.330) 11.895 2.235 ( -0.515 1.344 -4.878) 5.086 2.485 ( -6.993 4.715 0.902) 8.482 2.627 ( 5.148 8.059 3.343) 10.130 2.640 ( -4.655 -1.618 -0.681) 4.975 2.738 ( -2.902 6.910 -2.469) 7.890 2.776 ( -3.242 5.819 -2.513) 7.119 2.879 ( 4.849 2.341 -2.609) 5.983 3.023 ( 6.809 -10.034 6.245) 13.640 3.349 ( 1.640 -3.754 -4.706) 6.240 3.616 ( -1.139 -6.133 0.247) 6.243 3.724 ( -1.936 -1.483 -2.665) 3.612 14.233 ( 0.467 -1.616 5.084) 5.355 14.463 ( 0.558 -4.589 7.320) 8.657 14.537 ( 0.313 0.065 -2.572) 2.592 14.744 ( 0.530 -2.220 0.297) 2.302 17.286 ( -0.580 -2.531 13.324) 13.575 18.100 ( -0.238 4.162 -12.730) 13.396 22.484 ( 0.015 -10.193 -0.345) 10.199 22.551 ( -0.526 -14.271 -1.516) 14.361 23.062 ( 0.504 -0.772 17.150) 17.175 23.849 ( -0.665 -4.417 3.439) 5.637 23.905 ( 2.865 -3.624 -1.562) 4.876 24.060 ( 0.650 -2.020 -2.286) 3.119 24.101 ( 1.694 0.228 -1.504) 2.277 24.301 ( 0.020 -0.144 1.784) 1.790 24.426 ( 2.428 4.140 -0.655) 4.844 24.530 ( -0.678 1.580 -1.323) 2.170 24.775 ( -0.734 -1.043 12.739) 12.803 24.816 ( 0.253 1.805 2.619) 3.191 24.947 ( -0.688 1.093 1.997) 2.379 24.958 ( -0.043 0.347 1.558) 1.597 25.282 ( -6.142 4.266 12.119) 14.240 25.851 ( 1.472 2.329 1.789) 3.285 25.977 ( 5.112 1.749 -2.066) 5.785 26.161 ( -0.728 5.653 -5.620) 8.005 26.281 ( -1.592 0.994 -1.927) 2.690 26.327 ( -1.244 0.823 -4.085) 4.349 26.469 ( 4.986 0.369 -2.517) 5.598 26.523 ( -2.058 3.081 -4.302) 5.677 43.922 ( 0.042 6.639 14.209) 15.684 44.485 ( -1.303 11.774 -2.516) 12.110 50.166 ( 4.939 0.845 -1.261) 5.167 50.199 ( 1.468 -0.439 -2.144) 2.635 51.159 ( -0.128 2.053 12.806) 12.970 51.573 ( -0.001 1.616 -0.209) 1.630 59.404 ( 0.010 -0.100 0.321) 0.336 59.418 ( -1.113 0.478 -0.699) 1.398 ======================= Grid point 257 (78/125) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 4.720 -9.670 11.747) 15.930 1.340 ( -5.569 -9.047 14.440) 17.927 1.433 ( -1.553 1.917 0.889) 2.623 1.710 ( 0.566 -5.183 1.870) 5.539 1.812 ( 1.245 1.442 2.200) 2.910 1.958 ( 2.674 4.086 2.797) 5.627 2.167 ( -0.868 -5.524 -10.300) 11.720 2.215 ( 2.882 0.656 -3.351) 4.468 2.341 ( -7.070 4.093 1.338) 8.278 2.522 ( 3.894 6.864 -1.624) 8.057 2.545 ( -2.298 9.130 0.071) 9.415 2.612 ( -0.564 9.149 -4.791) 10.343 2.657 ( -5.615 -3.131 2.497) 6.897 2.859 ( 1.418 2.305 -3.157) 4.158 3.263 ( 9.463 -8.230 5.906) 13.862 3.440 ( 3.305 -3.456 -0.743) 4.840 3.730 ( -2.791 -5.396 1.140) 6.181 3.745 ( -3.301 -4.191 0.345) 5.346 14.279 ( 0.250 -2.758 4.165) 5.002 14.518 ( 1.196 1.138 -3.284) 3.675 14.600 ( 0.557 -7.421 7.919) 10.867 14.808 ( 0.820 -3.641 1.184) 3.915 17.345 ( -1.571 -4.329 10.022) 11.030 17.985 ( -0.245 7.383 -10.756) 13.049 22.755 ( -0.124 -17.328 0.996) 17.357 22.859 ( -2.071 -16.798 0.250) 16.927 23.090 ( 0.989 -1.687 18.393) 18.497 23.930 ( -1.608 -5.028 1.046) 5.381 24.039 ( 4.450 -5.374 -5.630) 8.966 24.109 ( 3.201 0.132 2.678) 4.176 24.145 ( 1.560 -5.892 -0.780) 6.144 24.297 ( 0.769 0.950 4.421) 4.587 24.341 ( 2.609 6.456 -1.092) 7.048 24.501 ( 1.120 1.109 -0.649) 1.704 24.774 ( 0.141 1.792 5.809) 6.080 24.798 ( -2.390 -2.419 7.201) 7.963 24.905 ( -1.747 2.253 0.505) 2.896 24.952 ( -0.121 0.238 0.876) 0.916 25.164 ( -6.104 2.209 6.490) 9.180 25.785 ( 1.784 6.168 0.079) 6.421 25.958 ( 4.175 5.026 -5.083) 8.278 26.009 ( -0.440 8.665 -8.280) 11.993 26.242 ( -2.106 1.237 -0.609) 2.518 26.300 ( -0.963 1.116 -2.276) 2.711 26.451 ( -0.671 2.694 -2.028) 3.438 26.480 ( 3.958 2.361 -3.784) 5.963 43.768 ( 0.205 8.721 5.215) 10.164 44.198 ( -1.302 15.907 -7.640) 17.695 50.193 ( 7.697 1.531 -1.543) 7.998 50.224 ( 1.656 -0.739 -2.290) 2.921 51.110 ( -0.166 2.682 6.780) 7.293 51.500 ( -0.271 6.080 -4.994) 7.872 59.397 ( -1.687 0.469 -0.253) 1.769 59.405 ( -0.075 0.093 -0.094) 0.152 ======================= Grid point 258 (79/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.223 3.660 -0.558) 3.899 1.414 ( 5.554 -10.634 11.117) 16.356 1.439 ( -9.294 -6.071 5.665) 12.463 1.734 ( -3.436 0.885 -0.860) 3.651 1.845 ( -0.976 -3.910 3.292) 5.204 1.908 ( 4.445 2.681 1.420) 5.382 2.237 ( -6.567 0.894 -0.665) 6.661 2.243 ( 8.379 0.783 -3.541) 9.130 2.277 ( -0.207 -3.709 -6.184) 7.214 2.338 ( -1.921 8.342 -2.678) 8.969 2.430 ( 1.627 7.227 -6.107) 9.601 2.450 ( 1.325 6.308 -5.095) 8.216 2.687 ( -4.364 -3.615 3.555) 6.690 2.815 ( -0.694 2.469 -2.474) 3.564 3.465 ( 9.088 -4.938 4.968) 11.474 3.523 ( 4.130 -2.043 2.087) 5.058 3.763 ( -4.896 -3.680 3.671) 7.141 3.829 ( -2.723 -4.317 3.446) 6.159 14.338 ( -0.268 -3.297 2.729) 4.288 14.492 ( 1.244 2.351 -2.078) 3.375 14.752 ( 0.650 -7.269 6.723) 9.923 14.880 ( 0.800 -2.795 2.410) 3.776 17.424 ( -2.479 -5.628 5.381) 8.172 17.826 ( 0.276 8.945 -7.863) 11.913 23.070 ( -1.531 -11.258 7.641) 13.692 23.098 ( -1.263 -7.398 13.615) 15.546 23.178 ( 0.374 -12.768 8.875) 15.555 24.009 ( -0.593 -1.798 4.724) 5.089 24.060 ( 0.353 3.429 -7.379) 8.144 24.164 ( 4.956 -1.275 0.137) 5.119 24.214 ( 4.579 5.217 2.122) 7.259 24.282 ( -1.340 -2.442 -3.432) 4.420 24.365 ( 2.331 -8.598 3.955) 9.747 24.512 ( 3.799 -0.134 0.426) 3.825 24.749 ( -0.925 0.877 -0.615) 1.415 24.835 ( -1.537 1.998 -2.275) 3.395 24.864 ( -3.324 -5.144 4.884) 7.833 24.946 ( -0.320 0.228 -0.019) 0.394 25.119 ( -5.482 -2.612 2.527) 6.577 25.647 ( 2.417 9.507 -2.431) 10.106 25.807 ( -1.225 8.460 -9.802) 13.006 25.892 ( 3.584 7.371 -7.296) 10.973 26.215 ( -0.757 0.240 0.278) 0.842 26.272 ( -1.002 1.021 -0.983) 1.736 26.411 ( 0.284 1.409 -1.051) 1.780 26.449 ( 1.628 2.821 -2.893) 4.356 43.626 ( 0.328 5.590 -5.586) 7.910 43.897 ( -0.848 14.033 -13.921) 19.784 50.223 ( 7.904 1.710 -1.730) 8.270 50.247 ( 0.033 -0.924 -2.333) 2.509 51.070 ( -0.089 0.875 -0.969) 1.309 51.350 ( -0.372 8.713 -8.976) 12.515 59.379 ( -1.625 -0.064 0.046) 1.627 59.399 ( -0.002 0.533 -0.314) 0.619 ======================= Grid point 259 (80/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 3.086 0.594 -3.189) 4.478 1.378 ( -7.641 2.226 -2.685) 8.399 1.676 ( 4.459 -10.888 6.968) 13.674 1.760 ( -6.580 -6.875 6.024) 11.262 1.816 ( 2.899 4.751 5.821) 8.054 1.898 ( 0.703 6.048 4.688) 7.684 2.188 ( -2.392 -0.033 -3.160) 3.964 2.209 ( -4.602 -0.895 -2.157) 5.161 2.265 ( 7.417 3.291 -2.446) 8.475 2.306 ( 1.291 5.203 -4.604) 7.067 2.366 ( -1.258 -2.787 -10.652) 11.082 2.389 ( 1.913 1.955 -9.558) 9.941 2.721 ( -2.614 -2.835 1.612) 4.179 2.762 ( -0.142 2.525 -0.857) 2.670 3.571 ( 3.356 -1.062 3.485) 4.953 3.576 ( 2.268 -0.755 3.170) 3.970 3.810 ( -0.991 -3.399 6.461) 7.367 3.852 ( -2.424 -0.168 5.633) 6.135 14.397 ( -0.798 -3.317 1.073) 3.577 14.450 ( 1.148 2.991 -0.560) 3.252 14.869 ( 0.148 -4.290 5.294) 6.816 14.911 ( 0.441 0.309 3.826) 3.863 17.526 ( -2.410 -7.146 0.389) 7.552 17.662 ( 1.375 8.632 -4.145) 9.674 23.155 ( 0.535 -1.558 19.166) 19.236 23.165 ( -1.459 -1.813 17.033) 17.191 23.520 ( -1.134 -18.791 2.017) 18.933 23.835 ( 1.554 14.878 1.134) 15.002 24.096 ( -2.623 -3.728 1.240) 4.724 24.142 ( 2.329 3.425 2.325) 4.750 24.252 ( 7.064 -0.843 -3.734) 8.034 24.296 ( -3.816 -0.951 -2.278) 4.545 24.531 ( 0.212 -5.315 1.161) 5.445 24.558 ( 3.136 -1.209 1.259) 3.589 24.720 ( 0.522 0.824 -3.374) 3.512 24.766 ( -3.432 2.453 -3.577) 5.530 24.931 ( -0.322 -1.479 -0.348) 1.554 24.940 ( -0.103 0.200 -0.675) 0.711 25.225 ( -6.167 -13.313 -0.343) 14.676 25.458 ( 5.300 13.940 -2.737) 15.163 25.703 ( -1.178 0.119 -10.193) 10.261 25.769 ( 1.514 6.796 -9.016) 11.391 26.220 ( 0.529 -0.693 0.032) 0.872 26.244 ( -1.061 1.032 -0.438) 1.544 26.398 ( 0.386 0.165 -0.930) 1.021 26.412 ( 0.098 1.472 -1.599) 2.176 43.581 ( 0.372 -0.950 -13.860) 13.897 43.674 ( -0.510 8.362 -16.784) 18.759 50.247 ( 5.993 1.479 -1.946) 6.472 50.256 ( -2.914 -1.150 -2.189) 3.822 51.089 ( 0.066 -3.081 -7.457) 8.069 51.190 ( -0.246 7.199 -10.268) 12.542 59.376 ( -1.005 -0.676 0.022) 1.211 59.386 ( 0.342 0.853 -0.213) 0.943 ======================= Grid point 265 (81/125) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 6.682 0.000 11.715) 13.487 1.139 ( -3.236 -0.000 18.269) 18.554 1.394 ( 3.430 0.000 -2.171) 4.059 1.662 ( -1.727 -0.000 7.483) 7.680 1.798 ( 6.579 0.000 16.990) 18.219 2.014 ( -3.753 -0.000 -6.738) 7.712 2.068 ( 4.029 0.000 -2.114) 4.550 2.233 ( -3.231 -0.000 -4.372) 5.436 2.492 ( -9.939 -0.000 4.331) 10.842 2.542 ( -4.541 -0.000 -1.714) 4.854 2.764 ( -3.965 -0.000 0.550) 4.003 2.783 ( -4.354 -0.000 -4.767) 6.456 2.878 ( 5.733 0.000 5.763) 8.129 2.897 ( 8.801 0.000 0.242) 8.804 2.977 ( 7.815 0.000 0.511) 7.832 3.322 ( 2.715 0.000 -6.932) 7.444 3.535 ( -2.373 -0.000 -0.596) 2.447 3.689 ( -3.537 -0.000 -3.693) 5.114 14.225 ( 1.246 0.000 5.362) 5.505 14.419 ( 0.606 0.000 8.774) 8.795 14.542 ( 0.756 0.000 -3.790) 3.865 14.729 ( 1.081 0.000 -0.109) 1.087 17.257 ( -0.854 -0.000 14.459) 14.484 18.137 ( -0.463 -0.000 -13.520) 13.528 22.393 ( -0.332 -0.000 -1.176) 1.222 22.393 ( 0.012 0.000 -0.426) 0.426 23.060 ( 0.927 0.000 16.809) 16.835 23.811 ( 1.209 0.000 4.888) 5.035 23.888 ( 2.764 0.000 -2.214) 3.541 24.051 ( 1.675 0.000 -2.889) 3.339 24.120 ( 2.793 0.000 -0.662) 2.870 24.299 ( -0.015 -0.000 1.246) 1.246 24.491 ( 3.850 0.000 2.022) 4.348 24.534 ( -2.155 -0.000 -0.476) 2.207 24.761 ( -0.534 -0.000 13.591) 13.601 24.840 ( 0.984 0.000 1.910) 2.149 24.949 ( -1.104 -0.000 1.857) 2.161 24.963 ( 0.017 0.000 1.527) 1.527 25.253 ( -11.707 -0.000 15.209) 19.193 25.888 ( 2.620 0.000 1.699) 3.123 26.049 ( 7.589 0.000 -3.381) 8.308 26.208 ( -2.107 -0.000 -6.158) 6.508 26.273 ( -3.012 -0.000 -2.009) 3.621 26.316 ( -2.333 -0.000 -2.415) 3.358 26.529 ( -4.024 -0.000 -4.443) 5.994 26.549 ( 12.958 0.000 -10.111) 16.436 43.990 ( 0.006 0.000 17.598) 17.598 44.587 ( -3.063 -0.000 0.323) 3.080 50.214 ( 3.147 0.000 -1.328) 3.416 50.234 ( 9.860 0.000 -2.570) 10.189 51.178 ( -0.265 -0.000 15.095) 15.097 51.585 ( 0.230 0.000 2.325) 2.337 59.403 ( 0.060 0.000 0.408) 0.412 59.410 ( -2.209 -0.000 -0.504) 2.265 ======================= Grid point 266 (82/125) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 7.975 -4.291 10.926) 14.191 1.168 ( -2.762 -5.153 16.624) 17.622 1.438 ( 2.018 -0.693 -0.940) 2.332 1.652 ( -0.635 -1.147 5.035) 5.202 1.847 ( 2.563 0.628 7.217) 7.685 1.990 ( -4.576 -0.617 -4.830) 6.682 2.110 ( 5.012 -1.011 -3.424) 6.154 2.209 ( -2.253 -1.078 0.341) 2.521 2.366 ( -8.153 3.573 3.418) 9.535 2.559 ( -2.539 -2.750 0.878) 3.845 2.675 ( -4.655 6.079 -1.052) 7.728 2.691 ( 0.222 5.968 -1.397) 6.134 2.753 ( 2.119 7.822 -1.316) 8.210 2.963 ( 5.419 5.737 -2.218) 8.197 3.158 ( 9.196 -10.565 4.566) 14.732 3.390 ( 3.261 -3.866 -3.097) 5.931 3.585 ( -2.490 -6.436 -0.631) 6.930 3.667 ( -5.296 -1.206 -2.779) 6.102 14.246 ( 1.076 -1.121 5.221) 5.447 14.477 ( 1.136 -5.121 8.458) 9.952 14.547 ( 1.027 0.332 -3.691) 3.846 14.759 ( 1.347 -2.102 0.252) 2.509 17.270 ( -1.451 -2.194 13.253) 13.512 18.093 ( -0.522 4.094 -12.931) 13.573 22.485 ( -0.010 -10.172 -0.514) 10.185 22.537 ( -1.216 -13.418 -1.303) 13.536 23.075 ( 1.197 -0.768 17.514) 17.572 23.847 ( 0.487 -2.667 3.640) 4.538 23.962 ( 3.859 -4.991 -3.960) 7.449 24.084 ( 2.379 -1.786 -2.084) 3.632 24.146 ( 3.976 -0.144 2.811) 4.872 24.299 ( -0.277 -0.097 1.365) 1.396 24.471 ( 0.903 3.858 2.454) 4.661 24.525 ( 1.487 0.327 2.844) 3.226 24.755 ( -1.516 0.097 14.009) 14.091 24.827 ( 1.231 2.280 2.321) 3.479 24.928 ( -1.595 1.360 1.052) 2.345 24.959 ( 0.084 0.374 1.080) 1.146 25.140 ( -10.453 1.501 11.422) 15.555 25.883 ( 1.869 2.778 0.312) 3.362 26.078 ( 5.635 2.881 -4.868) 7.984 26.127 ( -3.937 4.932 -8.622) 10.685 26.241 ( -2.587 0.810 -0.697) 2.799 26.303 ( -1.760 0.030 -2.018) 2.678 26.481 ( -2.435 1.704 -2.859) 4.124 26.618 ( 14.100 4.723 -14.543) 20.799 43.923 ( 0.113 6.537 14.108) 15.549 44.449 ( -3.101 10.896 -0.589) 11.344 50.241 ( 3.712 0.169 -0.744) 3.790 50.305 ( 12.257 1.785 -3.606) 12.901 51.156 ( -0.317 2.012 12.921) 13.081 51.573 ( -0.001 1.899 -0.077) 1.900 59.387 ( -2.781 0.301 -0.009) 2.797 59.405 ( 0.025 -0.064 0.136) 0.153 ======================= Grid point 267 (83/125) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -1.479 -7.319 9.443) 12.039 1.293 ( 5.160 -7.475 12.494) 15.447 1.411 ( -0.875 2.998 0.272) 3.135 1.723 ( 1.022 -4.728 1.935) 5.210 1.769 ( -7.202 3.982 -2.906) 8.728 1.961 ( -3.274 0.369 -1.535) 3.635 2.179 ( -1.460 -2.063 -2.625) 3.644 2.205 ( -2.314 0.223 0.039) 2.326 2.331 ( 8.276 -2.155 2.398) 8.882 2.500 ( -2.554 8.703 0.239) 9.073 2.572 ( 1.217 6.669 -2.857) 7.356 2.598 ( -1.611 -1.628 1.005) 2.501 2.608 ( 0.867 7.638 -3.242) 8.342 2.882 ( 1.396 4.907 -3.951) 6.452 3.414 ( 9.052 -8.133 5.139) 13.209 3.486 ( 1.547 -3.742 0.836) 4.135 3.651 ( -6.745 -2.908 0.240) 7.350 3.709 ( -0.817 -6.687 0.961) 6.805 14.284 ( 0.319 -2.227 4.537) 5.064 14.540 ( 1.423 1.439 -3.548) 4.085 14.614 ( 1.142 -7.589 7.963) 11.060 14.825 ( 1.254 -3.428 1.147) 3.826 17.313 ( -2.402 -3.832 10.065) 11.034 17.981 ( -0.299 7.087 -11.247) 13.297 22.753 ( -0.156 -17.168 0.804) 17.188 22.818 ( -2.953 -15.765 0.971) 16.068 23.108 ( 1.185 -1.734 18.719) 18.837 23.915 ( -0.503 -4.255 2.625) 5.025 24.089 ( 2.083 -3.249 -9.711) 10.449 24.155 ( 1.767 -3.759 -1.257) 4.340 24.205 ( 6.173 -2.798 7.791) 10.327 24.298 ( -0.553 -0.400 1.087) 1.284 24.383 ( 1.886 5.944 3.739) 7.271 24.538 ( 3.365 0.066 4.335) 5.488 24.742 ( -4.100 -1.835 13.964) 14.669 24.784 ( 0.965 2.532 2.015) 3.377 24.874 ( -1.859 2.593 -1.538) 3.542 24.954 ( 0.296 0.332 0.387) 0.590 25.064 ( -5.801 0.071 4.104) 7.106 25.794 ( -2.105 6.263 -4.047) 7.748 25.963 ( -1.407 7.610 -9.235) 12.049 26.058 ( 4.926 5.478 -6.749) 9.991 26.214 ( -0.864 0.426 0.204) 0.985 26.282 ( -1.420 0.779 -1.531) 2.228 26.439 ( -0.530 1.538 -1.692) 2.348 26.581 ( 8.683 7.844 -11.572) 16.457 43.772 ( 0.320 8.627 5.086) 10.020 44.172 ( -1.910 14.980 -6.356) 16.385 50.257 ( 2.527 0.758 -0.379) 2.665 50.349 ( 11.692 3.305 -3.909) 12.764 51.106 ( -0.255 2.588 6.938) 7.409 51.495 ( -0.412 6.221 -4.695) 7.804 59.362 ( -2.647 0.003 0.528) 2.699 59.404 ( -0.048 0.116 -0.250) 0.280 ======================= Grid point 268 (84/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -7.123 -3.314 3.297) 8.520 1.347 ( 0.406 1.562 -2.661) 3.112 1.521 ( 8.216 -9.238 9.264) 15.449 1.635 ( -8.254 0.132 -0.167) 8.256 1.835 ( -0.332 -3.954 4.588) 6.066 1.934 ( -2.057 -0.344 -1.825) 2.771 2.122 ( -8.336 -1.228 1.298) 8.526 2.249 ( 1.851 3.277 0.796) 3.847 2.326 ( 0.425 5.003 -6.153) 7.941 2.436 ( 2.248 5.972 -7.120) 9.561 2.455 ( 10.923 1.733 -2.531) 11.345 2.469 ( 1.249 6.295 -5.209) 8.266 2.642 ( -1.450 -3.314 3.335) 4.920 2.811 ( 0.252 2.888 -2.882) 4.088 3.544 ( -2.523 -2.051 2.041) 3.839 3.546 ( -1.246 -2.369 2.338) 3.554 3.719 ( 1.869 -6.580 6.471) 9.416 3.813 ( 1.229 -3.594 3.878) 5.429 14.333 ( -0.342 -2.858 3.186) 4.294 14.513 ( 1.282 2.458 -2.389) 3.660 14.763 ( 0.740 -6.828 6.757) 9.635 14.894 ( 0.911 -2.487 2.307) 3.513 17.382 ( -2.833 -5.598 5.666) 8.453 17.831 ( 0.362 8.249 -8.610) 11.929 23.035 ( -2.783 -9.386 8.891) 13.225 23.089 ( 0.172 -12.786 8.994) 15.634 23.180 ( -0.269 -9.272 12.857) 15.854 23.989 ( -1.586 -3.772 3.130) 5.152 24.069 ( 0.626 6.330 -6.358) 8.994 24.211 ( 1.249 0.315 3.189) 3.439 24.262 ( -0.851 0.648 -3.770) 3.919 24.313 ( 6.668 1.629 0.111) 6.865 24.381 ( -0.731 -6.695 7.682) 10.216 24.585 ( 5.489 -1.406 1.870) 5.967 24.742 ( -0.049 0.693 -1.060) 1.267 24.802 ( -2.003 1.721 -1.868) 3.235 24.820 ( -2.159 -6.231 6.587) 9.321 24.950 ( 0.636 0.408 -0.324) 0.822 25.037 ( -4.455 -1.527 1.617) 4.979 25.662 ( -1.008 5.133 -7.536) 9.174 25.798 ( 0.394 9.435 -8.934) 13.000 25.951 ( 3.789 9.208 -9.316) 13.636 26.213 ( 0.567 -0.328 0.154) 0.673 26.255 ( -1.240 0.852 -0.680) 1.651 26.412 ( 0.017 1.022 -1.256) 1.619 26.485 ( 2.846 6.003 -5.967) 8.930 43.632 ( 0.373 5.597 -5.663) 7.971 43.883 ( -0.944 13.508 -13.276) 18.963 50.248 ( 0.022 1.277 -0.141) 1.285 50.358 ( 8.983 3.997 -4.021) 10.622 51.069 ( -0.100 0.745 -0.848) 1.133 51.344 ( -0.423 8.609 -8.736) 12.272 59.351 ( -1.873 -0.751 0.729) 2.146 59.399 ( 0.005 0.394 -0.458) 0.604 ======================= Grid point 269 (85/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -5.670 -0.227 -2.283) 6.116 1.374 ( 4.520 -2.526 -4.613) 6.935 1.648 ( -6.848 -6.297 5.080) 10.600 1.762 ( 6.093 -9.000 6.699) 12.768 1.813 ( -1.299 4.985 7.162) 8.822 1.944 ( 1.637 1.981 0.200) 2.578 2.113 ( -4.890 1.068 1.687) 5.282 2.128 ( -5.231 -2.620 0.346) 5.861 2.296 ( 0.477 3.038 -6.390) 7.092 2.345 ( 1.206 3.014 -8.860) 9.436 2.367 ( 0.424 4.033 -8.973) 9.847 2.491 ( 8.233 4.345 -6.252) 11.214 2.711 ( 1.775 -3.486 1.827) 4.317 2.783 ( 2.609 1.377 -0.580) 3.007 3.529 ( -6.810 -1.092 2.964) 7.507 3.547 ( -5.350 -0.411 3.133) 6.214 3.851 ( 4.608 -3.205 6.887) 8.885 3.861 ( 2.892 -0.068 5.877) 6.551 14.385 ( -0.735 -2.997 1.535) 3.446 14.467 ( 0.963 3.183 -0.978) 3.466 14.870 ( 0.031 -3.756 5.455) 6.623 14.919 ( 0.451 0.682 3.652) 3.742 17.489 ( -2.179 -7.756 0.932) 8.110 17.684 ( 1.280 7.701 -4.889) 9.211 23.131 ( -1.813 -3.128 16.530) 16.921 23.177 ( 1.265 -1.469 19.811) 19.905 23.500 ( -1.388 -18.570 2.352) 18.770 23.855 ( 1.005 14.783 -0.200) 14.819 24.049 ( -2.883 -3.407 0.128) 4.466 24.189 ( 3.151 2.704 5.552) 6.933 24.226 ( -4.644 1.370 -5.756) 7.521 24.344 ( 3.883 0.672 0.554) 3.980 24.463 ( -4.635 -3.569 3.376) 6.754 24.657 ( 6.054 0.448 -1.582) 6.273 24.715 ( -2.318 2.378 -3.961) 5.169 24.769 ( 4.269 -0.836 -3.195) 5.398 24.927 ( 0.208 -1.631 0.246) 1.663 24.951 ( 1.105 0.251 -0.752) 1.360 25.125 ( -6.417 -14.036 2.441) 15.625 25.534 ( 4.257 12.678 -6.201) 14.741 25.680 ( -1.685 -0.846 -10.100) 10.275 25.792 ( 1.457 8.260 -10.253) 13.247 26.223 ( -0.449 0.115 0.115) 0.477 26.241 ( 0.801 -0.250 -0.321) 0.899 26.400 ( -0.030 0.250 -1.189) 1.216 26.415 ( 0.276 2.318 -2.352) 3.313 43.587 ( 0.309 -0.967 -13.934) 13.971 43.666 ( -0.426 8.143 -16.546) 18.446 50.212 ( -2.572 1.265 -0.008) 2.866 50.337 ( 5.275 3.907 -4.129) 7.755 51.090 ( 0.054 -3.213 -7.436) 8.100 51.187 ( -0.213 7.045 -10.169) 12.373 59.361 ( -0.899 -1.311 0.444) 1.651 59.392 ( 0.302 0.450 -0.425) 0.689 ======================= Grid point 270 (86/125) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.964 -3.628 -1.138) 3.923 1.485 ( 5.030 -2.736 1.207) 5.852 1.640 ( 0.400 9.756 2.619) 10.110 1.728 ( -5.229 -6.397 4.895) 9.604 1.849 ( 3.280 8.507 7.449) 11.774 1.926 ( 2.663 -1.880 4.046) 5.196 2.093 ( -9.789 -4.624 -2.922) 11.214 2.204 ( -0.804 -6.388 -2.828) 7.032 2.279 ( 3.448 0.268 -4.350) 5.558 2.299 ( -0.324 -1.763 -7.306) 7.523 2.359 ( -1.366 -1.885 -7.898) 8.234 2.430 ( 3.809 6.406 -8.399) 11.229 2.777 ( 3.665 0.590 1.611) 4.047 2.788 ( 3.146 -0.586 0.162) 3.204 3.472 ( -7.304 2.508 4.501) 8.938 3.499 ( -5.683 -0.276 2.861) 6.368 3.855 ( 3.181 2.492 5.668) 6.961 3.906 ( 3.347 1.042 5.324) 6.375 14.407 ( 0.484 3.558 0.664) 3.652 14.435 ( -0.766 -2.760 -0.172) 2.869 14.866 ( -0.183 4.576 5.214) 6.940 14.906 ( -0.227 0.195 3.920) 3.931 17.557 ( 1.423 6.280 -0.099) 6.441 17.645 ( -0.740 -9.127 -3.512) 9.808 23.142 ( -0.657 0.534 19.708) 19.727 23.192 ( 1.399 1.664 16.542) 16.684 23.533 ( 0.540 19.081 1.597) 19.155 23.810 ( -1.492 -14.674 2.327) 14.932 24.092 ( -1.724 -2.576 -1.147) 3.305 24.139 ( -2.547 2.871 -4.887) 6.214 24.168 ( -0.076 1.972 3.184) 3.746 24.335 ( 1.012 1.946 2.295) 3.174 24.469 ( -2.976 -0.635 0.536) 3.090 24.542 ( -2.085 8.911 -3.062) 9.651 24.754 ( 3.055 -1.233 -2.035) 3.872 24.815 ( 2.683 -0.656 -3.235) 4.254 24.931 ( 0.046 0.707 -0.523) 0.880 24.960 ( 1.868 0.043 -1.490) 2.390 25.304 ( 3.762 12.424 -2.876) 13.296 25.382 ( -4.156 -15.123 0.700) 15.699 25.716 ( 0.608 -0.690 -10.257) 10.298 25.748 ( -1.059 -5.744 -7.989) 9.897 26.214 ( -0.178 -0.003 0.656) 0.679 26.264 ( 1.210 -0.825 -0.520) 1.554 26.390 ( -0.608 -0.055 -1.008) 1.179 26.412 ( 0.025 -0.982 -1.502) 1.795 43.576 ( -0.250 0.909 -13.789) 13.821 43.681 ( 0.344 -8.532 -17.004) 19.028 50.167 ( -3.913 0.649 -0.028) 3.967 50.295 ( 1.900 3.283 -4.111) 5.594 51.088 ( -0.046 2.958 -7.474) 8.038 51.193 ( 0.163 -7.328 -10.355) 12.687 59.382 ( -0.223 -1.198 -0.020) 1.219 59.389 ( 0.647 0.111 -0.342) 0.740 ======================= Grid point 271 (87/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.893 10.388 10.531) 14.913 1.375 ( 0.989 -3.633 2.506) 4.523 1.579 ( 7.630 9.523 9.536) 15.486 1.733 ( -2.700 -1.856 -2.277) 3.990 1.832 ( -2.680 -5.854 3.924) 7.539 1.865 ( -0.130 6.972 0.839) 7.024 2.121 ( -4.243 -4.612 -4.771) 7.876 2.307 ( 1.594 5.497 -8.879) 10.564 2.328 ( 4.413 -1.557 -3.283) 5.716 2.375 ( 0.837 -7.137 -4.287) 8.367 2.399 ( -0.923 -6.607 -2.605) 7.162 2.426 ( -1.868 -8.246 -4.286) 9.479 2.759 ( 3.620 3.311 3.042) 5.773 2.828 ( 0.685 -1.223 -1.062) 1.759 3.338 ( -5.626 5.919 5.938) 10.097 3.461 ( -2.682 1.120 1.033) 3.085 3.820 ( 2.029 3.190 3.226) 4.970 3.867 ( 1.495 4.865 3.469) 6.160 14.340 ( 0.096 3.588 2.427) 4.333 14.478 ( -0.522 -2.226 -1.831) 2.929 14.745 ( -0.257 7.504 6.689) 10.056 14.871 ( -0.315 3.008 2.469) 3.904 17.452 ( 0.973 5.630 5.196) 7.723 17.823 ( -0.094 -9.397 -7.394) 11.958 23.086 ( 0.650 12.791 6.942) 14.568 23.113 ( 0.431 2.539 18.521) 18.700 23.173 ( -0.154 16.077 4.287) 16.640 24.003 ( -0.837 -3.711 4.610) 5.977 24.056 ( -0.507 0.652 -10.649) 10.681 24.105 ( -1.421 4.197 2.682) 5.179 24.170 ( -1.549 -5.532 1.753) 6.007 24.302 ( 1.385 4.795 -1.381) 5.179 24.328 ( -2.100 7.149 0.888) 7.504 24.471 ( -1.397 -0.894 -0.422) 1.711 24.762 ( 0.564 0.687 1.236) 1.523 24.851 ( 0.566 -0.786 -1.613) 1.882 24.899 ( 1.038 2.144 1.552) 2.843 24.959 ( 0.891 0.861 0.111) 1.244 25.184 ( 2.455 2.239 2.308) 4.046 25.612 ( -1.477 -10.980 0.620) 11.096 25.824 ( 0.876 -8.499 -9.382) 12.689 25.848 ( -1.894 -5.635 -5.575) 8.150 26.226 ( 0.397 -1.157 0.336) 1.269 26.287 ( 0.799 -0.885 -1.176) 1.675 26.403 ( -0.545 -1.794 -0.870) 2.066 26.436 ( -0.234 -1.430 -1.689) 2.226 43.622 ( -0.129 -5.589 -5.535) 7.867 43.907 ( 0.340 -14.386 -14.356) 20.327 50.134 ( -3.126 -0.202 -0.217) 3.140 50.247 ( -0.015 2.362 -3.762) 4.442 51.071 ( 0.035 -0.960 -1.048) 1.422 51.355 ( 0.148 -8.780 -9.133) 12.670 59.397 ( 0.514 -0.415 -0.345) 0.746 59.400 ( 0.125 -0.595 -0.277) 0.668 ======================= Grid point 272 (88/125) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.000 10.155 12.623) 16.200 1.393 ( -0.000 10.407 15.145) 18.377 1.446 ( 0.000 -1.071 0.911) 1.406 1.706 ( -0.000 4.892 2.000) 5.285 1.787 ( 0.000 -0.014 5.160) 5.160 1.930 ( 0.000 -4.873 3.053) 5.751 2.174 ( -0.000 2.634 -9.252) 9.619 2.199 ( -0.000 0.188 -7.108) 7.110 2.444 ( 0.000 -3.814 -1.895) 4.259 2.444 ( 0.000 -6.472 1.767) 6.709 2.569 ( 0.000 -9.407 -2.560) 9.749 2.617 ( 0.000 -10.410 -2.781) 10.775 2.717 ( -0.000 2.383 0.773) 2.506 2.847 ( 0.000 -0.686 -2.231) 2.334 3.174 ( -0.000 8.563 6.958) 11.034 3.411 ( -0.000 3.065 -1.732) 3.521 3.751 ( -0.000 6.650 1.748) 6.876 3.774 ( -0.000 3.142 0.002) 3.142 14.277 ( -0.000 2.980 4.018) 5.003 14.508 ( 0.000 -0.905 -3.007) 3.141 14.596 ( -0.000 7.237 7.745) 10.600 14.801 ( -0.000 3.723 1.199) 3.912 17.358 ( -0.000 4.521 10.009) 10.983 17.987 ( 0.000 -7.508 -10.572) 12.967 22.756 ( -0.000 17.456 1.046) 17.487 22.875 ( -0.000 17.251 -0.096) 17.252 23.082 ( -0.000 1.546 18.361) 18.426 23.961 ( -0.000 3.874 -3.558) 5.260 23.981 ( -0.000 7.216 2.551) 7.654 24.084 ( 0.000 -0.975 -1.185) 1.535 24.134 ( -0.000 6.594 -1.258) 6.713 24.285 ( 0.000 -4.214 4.800) 6.388 24.322 ( 0.000 -2.941 -2.623) 3.940 24.495 ( 0.000 -1.976 -1.520) 2.493 24.774 ( 0.000 -1.719 5.678) 5.932 24.816 ( -0.000 2.544 5.663) 6.208 24.919 ( 0.000 -1.966 1.119) 2.262 24.954 ( 0.000 -0.043 1.233) 1.234 25.217 ( 0.000 -3.684 6.788) 7.723 25.768 ( 0.000 -6.028 1.279) 6.163 25.915 ( 0.000 -3.013 -2.465) 3.893 26.016 ( 0.000 -9.512 -7.873) 12.347 26.259 ( 0.000 -1.811 -1.032) 2.085 26.310 ( 0.000 -1.137 -2.849) 3.068 26.442 ( 0.000 -1.624 -0.821) 1.820 26.466 ( 0.000 -2.559 -2.542) 3.607 43.766 ( 0.000 -8.759 5.266) 10.221 44.209 ( 0.000 -16.298 -8.176) 18.234 50.131 ( 0.000 -0.796 -0.565) 0.976 50.210 ( -0.000 1.329 -3.042) 3.320 51.111 ( 0.000 -2.720 6.719) 7.249 51.502 ( 0.000 -6.024 -5.114) 7.902 59.405 ( 0.000 -0.103 -0.026) 0.106 59.411 ( 0.000 -0.640 -0.584) 0.867 ======================= Grid point 275 (89/125) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.323 -0.000 15.926) 15.929 1.122 ( 11.161 0.000 9.565) 14.698 1.461 ( 5.022 0.000 -1.341) 5.198 1.633 ( -1.634 -0.000 5.688) 5.918 1.868 ( -1.335 -0.000 4.512) 4.706 1.930 ( -6.629 -0.000 -8.416) 10.713 2.152 ( 6.220 0.000 0.368) 6.230 2.175 ( -0.493 -0.000 6.504) 6.523 2.317 ( -12.066 -0.000 5.908) 13.435 2.535 ( 2.663 0.000 -1.789) 3.208 2.695 ( -6.437 -0.000 -6.157) 8.908 2.713 ( -2.752 -0.000 0.234) 2.762 2.967 ( 5.288 0.000 5.713) 7.784 3.025 ( 7.355 0.000 0.776) 7.396 3.096 ( 7.402 0.000 1.545) 7.562 3.370 ( 3.246 0.000 -6.523) 7.286 3.485 ( -3.822 -0.000 -1.520) 4.113 3.613 ( -6.022 -0.000 -3.924) 7.187 14.249 ( 1.722 0.000 5.319) 5.591 14.430 ( 0.730 0.000 9.708) 9.735 14.559 ( 1.326 0.000 -4.365) 4.562 14.751 ( 1.662 0.000 -0.204) 1.674 17.240 ( -1.268 -0.000 14.333) 14.389 18.129 ( -0.558 -0.000 -13.714) 13.725 22.387 ( -0.450 -0.000 -1.202) 1.283 22.394 ( 0.023 0.000 -0.714) 0.715 23.078 ( 1.343 0.000 17.375) 17.427 23.835 ( 1.753 0.000 5.833) 6.091 23.938 ( 3.456 0.000 -5.085) 6.148 24.088 ( 2.756 0.000 -3.468) 4.429 24.174 ( 3.851 0.000 4.237) 5.725 24.293 ( -0.832 -0.000 1.354) 1.589 24.489 ( -3.406 -0.000 2.699) 4.345 24.540 ( 1.163 0.000 13.512) 13.562 24.764 ( 1.511 0.000 11.270) 11.371 24.867 ( 2.651 0.000 1.295) 2.950 24.930 ( -1.271 -0.000 0.556) 1.387 24.965 ( 0.311 0.000 1.027) 1.073 25.062 ( -11.621 -0.000 12.857) 17.331 25.918 ( -0.735 -0.000 -0.348) 0.813 26.125 ( -7.140 -0.000 -9.990) 12.280 26.143 ( 4.220 0.000 -3.487) 5.474 26.239 ( -0.920 -0.000 -0.977) 1.342 26.283 ( -1.927 -0.000 -1.176) 2.258 26.479 ( -1.791 -0.000 -2.542) 3.110 26.819 ( 20.599 0.000 -27.647) 34.477 43.990 ( 0.019 0.000 17.487) 17.487 44.528 ( -4.236 -0.000 3.507) 5.500 50.278 ( 4.820 0.000 0.551) 4.851 50.431 ( 14.563 0.000 -5.871) 15.702 51.173 ( -0.393 -0.000 15.243) 15.248 51.590 ( 0.345 0.000 2.318) 2.343 59.366 ( -3.296 -0.000 0.376) 3.317 59.404 ( 0.084 0.000 0.123) 0.148 ======================= Grid point 276 (90/125) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 1.382 -2.639 12.100) 12.461 1.247 ( 11.091 -3.698 9.212) 14.884 1.468 ( 1.850 2.887 0.019) 3.429 1.655 ( 1.094 -3.078 3.103) 4.506 1.785 ( -10.098 3.678 -2.436) 11.020 1.897 ( -6.805 -1.690 -6.793) 9.763 2.142 ( -7.128 1.790 5.927) 9.441 2.226 ( 5.844 -0.244 0.470) 5.868 2.296 ( 3.688 -5.585 9.410) 11.547 2.570 ( 2.785 -0.964 -1.594) 3.351 2.601 ( -4.741 4.424 -4.042) 7.641 2.664 ( -2.410 3.170 -1.567) 4.280 2.810 ( 3.709 10.875 1.538) 11.593 3.037 ( 3.962 8.559 -2.195) 9.684 3.284 ( 6.912 -11.815 4.892) 14.536 3.425 ( 0.398 -2.791 -1.324) 3.115 3.552 ( -2.932 -5.345 -2.498) 6.589 3.575 ( -4.309 -3.360 -2.645) 6.071 14.263 ( 1.072 -0.431 5.484) 5.605 14.493 ( 0.826 -5.413 9.293) 10.787 14.568 ( 1.560 0.276 -4.480) 4.752 14.782 ( 1.536 -1.917 0.198) 2.464 17.245 ( -1.621 -1.659 13.170) 13.372 18.085 ( -0.445 4.022 -13.280) 13.883 22.483 ( -0.302 -10.179 -0.696) 10.208 22.519 ( -1.003 -12.109 -1.088) 12.199 23.095 ( 1.244 -0.702 18.127) 18.183 23.861 ( 1.096 -1.569 4.862) 5.225 24.015 ( 3.054 -4.686 -5.807) 8.063 24.121 ( 1.987 -1.431 -4.243) 4.899 24.212 ( 3.863 -1.134 6.738) 7.850 24.291 ( -0.742 -0.418 1.106) 1.396 24.446 ( -2.565 1.774 5.393) 6.230 24.542 ( -1.531 -0.494 18.100) 18.171 24.755 ( 2.225 2.565 10.568) 11.100 24.851 ( 1.414 3.241 2.830) 4.529 24.904 ( -1.309 1.710 -0.437) 2.197 24.958 ( -0.609 0.148 1.144) 1.305 25.011 ( -4.586 -1.433 5.193) 7.075 25.852 ( -7.561 3.472 -4.763) 9.587 26.054 ( -1.489 3.357 -8.412) 9.179 26.155 ( 3.186 1.663 -3.778) 5.214 26.223 ( -0.051 0.797 -0.696) 1.059 26.275 ( -1.853 -0.172 -1.507) 2.395 26.460 ( -0.382 1.038 -2.049) 2.329 26.872 ( 17.305 10.149 -29.370) 35.568 43.925 ( 0.139 6.381 13.954) 15.344 44.398 ( -3.222 9.741 1.964) 10.446 50.304 ( 4.217 1.105 1.407) 4.581 50.512 ( 13.581 3.005 -6.687) 15.434 51.150 ( -0.364 1.957 13.112) 13.263 51.573 ( -0.008 2.325 0.122) 2.329 59.340 ( -3.114 0.049 0.913) 3.245 59.405 ( 0.030 0.006 -0.148) 0.151 ======================= Grid point 277 (91/125) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.024 -3.085 7.101) 7.742 1.379 ( 1.620 0.797 -0.351) 1.839 1.453 ( 8.103 -4.004 6.556) 11.166 1.615 ( -10.569 4.189 -1.649) 11.488 1.744 ( 1.201 -4.550 1.680) 4.997 1.882 ( -5.809 -1.695 -3.320) 6.902 2.037 ( -10.938 0.328 5.159) 12.098 2.297 ( 7.715 -0.866 -2.919) 8.294 2.459 ( 1.665 2.309 0.079) 2.848 2.484 ( 5.230 -1.422 4.413) 6.989 2.561 ( -1.774 5.557 -5.226) 7.831 2.598 ( 0.965 0.957 -0.951) 1.659 2.647 ( 3.835 7.642 -0.534) 8.567 2.899 ( 0.831 6.701 -3.675) 7.688 3.470 ( -3.303 -2.754 0.339) 4.314 3.485 ( -3.310 -1.885 0.017) 3.809 3.582 ( 1.735 -9.265 5.364) 10.846 3.727 ( 2.529 -7.056 1.628) 7.670 14.288 ( 0.226 -1.663 4.957) 5.234 14.557 ( 0.844 1.042 -2.860) 3.159 14.633 ( 1.299 -7.029 7.083) 10.063 14.843 ( 1.097 -3.179 1.107) 3.541 17.277 ( -2.105 -3.255 10.130) 10.846 17.977 ( -0.187 6.796 -11.845) 13.657 22.748 ( -0.665 -17.257 0.668) 17.282 22.777 ( -1.914 -14.570 1.532) 14.775 23.124 ( 0.800 -1.488 19.299) 19.373 23.911 ( -0.017 -3.070 3.882) 4.949 24.114 ( 1.352 -2.132 -9.320) 9.656 24.172 ( 0.442 -2.796 -2.579) 3.829 24.277 ( -0.639 -2.855 2.469) 3.828 24.299 ( 3.879 -0.147 6.144) 7.267 24.393 ( -0.359 2.221 5.666) 6.096 24.555 ( -2.125 -3.475 18.027) 18.482 24.717 ( 1.588 2.178 8.814) 9.216 24.801 ( 0.951 2.217 1.944) 3.098 24.854 ( -0.635 2.740 -2.841) 3.998 24.957 ( -0.201 -0.096 0.360) 0.424 25.011 ( -0.643 -0.131 1.530) 1.664 25.712 ( -7.074 3.937 -8.976) 12.088 25.962 ( 0.828 6.473 -7.746) 10.129 26.123 ( 3.403 4.850 -6.281) 8.634 26.218 ( 1.036 0.131 -0.498) 1.156 26.255 ( -2.034 0.511 -1.227) 2.430 26.436 ( 0.160 1.352 -1.951) 2.379 26.726 ( 9.135 14.432 -20.762) 26.885 43.777 ( 0.287 8.525 4.939) 9.856 44.144 ( -1.603 14.026 -5.013) 14.981 50.295 ( 2.213 2.464 1.802) 3.770 50.525 ( 10.214 5.196 -6.448) 13.149 51.102 ( -0.230 2.476 7.133) 7.554 51.489 ( -0.375 6.379 -4.349) 7.729 59.322 ( -2.330 -0.506 1.377) 2.753 59.404 ( -0.043 0.150 -0.449) 0.475 ======================= Grid point 278 (92/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -3.646 -0.244 0.217) 3.661 1.365 ( 1.544 -0.520 -4.466) 4.754 1.514 ( -6.468 -2.479 2.505) 7.366 1.659 ( 9.402 -7.312 7.251) 13.944 1.830 ( -0.408 -3.366 3.462) 4.845 1.871 ( -4.462 -1.551 -2.171) 5.199 1.985 ( -9.223 -3.332 3.395) 10.377 2.296 ( 2.577 9.499 6.835) 11.983 2.352 ( 2.824 2.318 -9.353) 10.042 2.427 ( -1.184 5.942 -9.088) 10.923 2.481 ( 0.502 6.071 -6.528) 8.929 2.617 ( 2.551 2.149 -2.151) 3.969 2.663 ( 8.173 -4.004 4.047) 9.961 2.821 ( 0.876 1.869 -1.867) 2.783 3.445 ( -7.570 -1.171 1.203) 7.754 3.489 ( -4.337 -1.528 1.440) 4.818 3.784 ( 4.155 -7.428 7.336) 11.237 3.850 ( 2.563 -3.536 4.656) 6.384 14.328 ( -0.242 -2.479 3.585) 4.366 14.529 ( 0.764 2.473 -2.593) 3.664 14.773 ( 0.487 -6.364 6.758) 9.295 14.906 ( 0.593 -2.231 2.207) 3.194 17.344 ( -1.851 -5.555 5.916) 8.324 17.836 ( 0.258 7.647 -9.294) 12.039 22.996 ( -1.967 -9.637 9.211) 13.476 23.098 ( 0.862 -16.480 5.172) 17.294 23.170 ( -0.853 -5.339 16.921) 17.763 23.966 ( -1.209 -3.021 2.225) 3.942 24.076 ( 0.344 6.888 -6.551) 9.512 24.205 ( -1.387 -0.318 -2.653) 3.010 24.270 ( 1.610 2.252 3.860) 4.750 24.345 ( -2.755 -1.825 9.113) 9.693 24.396 ( 3.270 -1.555 0.046) 3.621 24.662 ( 3.865 -4.401 5.109) 7.772 24.734 ( -0.905 -5.294 6.215) 8.214 24.786 ( -1.401 2.285 -2.088) 3.398 24.802 ( 0.860 -1.700 0.453) 1.958 24.956 ( -0.165 -0.054 -0.088) 0.195 24.999 ( -0.309 0.939 0.230) 1.015 25.627 ( -2.528 0.675 -10.511) 10.832 25.812 ( 0.989 10.084 -8.714) 13.364 26.003 ( 2.760 10.285 -10.434) 14.909 26.225 ( 0.027 0.298 -0.281) 0.411 26.237 ( -0.263 -0.363 -0.376) 0.585 26.413 ( 0.046 1.075 -1.868) 2.156 26.528 ( 2.370 9.519 -9.430) 13.607 43.637 ( 0.243 5.608 -5.732) 8.023 43.870 ( -0.604 13.062 -12.729) 18.249 50.248 ( 0.007 3.211 1.789) 3.676 50.478 ( 5.867 5.991 -6.018) 10.321 51.068 ( -0.065 0.631 -0.740) 0.975 51.338 ( -0.281 8.511 -8.520) 12.046 59.326 ( -1.236 -1.353 1.326) 2.262 59.399 ( 0.005 0.271 -0.586) 0.646 ======================= Grid point 279 (93/125) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -2.048 -2.023 -1.336) 3.174 1.435 ( 2.612 -4.581 -4.865) 7.175 1.570 ( -2.826 -6.059 4.672) 8.156 1.793 ( -0.363 5.431 7.258) 9.072 1.862 ( 5.298 -6.312 4.735) 9.504 1.914 ( -3.095 -4.853 -5.030) 7.644 2.030 ( -5.035 -6.889 1.504) 8.664 2.107 ( 0.786 10.626 8.099) 13.384 2.301 ( 0.136 2.006 -7.725) 7.983 2.357 ( 0.482 2.194 -9.619) 9.878 2.370 ( 0.052 5.640 -9.319) 10.893 2.568 ( 1.933 4.877 -5.159) 7.358 2.767 ( 3.645 -2.024 1.675) 4.493 2.825 ( 2.113 -0.145 0.153) 2.124 3.428 ( -4.543 -1.912 2.966) 5.753 3.465 ( -3.692 0.680 2.974) 4.790 3.898 ( 1.613 -0.169 6.252) 6.459 3.911 ( 2.143 -2.945 6.529) 7.476 14.376 ( -0.298 -2.781 1.838) 3.347 14.478 ( 0.368 3.288 -1.240) 3.534 14.870 ( -0.006 -3.342 5.581) 6.505 14.924 ( 0.187 0.868 3.517) 3.627 17.464 ( -0.865 -8.123 1.284) 8.269 17.698 ( 0.513 7.066 -5.393) 8.904 23.111 ( -0.715 -3.682 16.508) 16.929 23.193 ( 0.590 -1.561 20.115) 20.185 23.483 ( -0.679 -18.537 2.411) 18.706 23.866 ( 0.355 14.769 -1.096) 14.814 24.016 ( -1.244 -3.210 -0.739) 3.521 24.166 ( -2.204 2.374 -5.871) 6.706 24.236 ( 2.171 2.865 8.482) 9.213 24.350 ( -1.800 -0.592 4.390) 4.781 24.437 ( 0.453 -0.943 0.863) 1.356 24.676 ( -0.853 6.265 -5.337) 8.274 24.735 ( 2.078 -2.242 -1.740) 3.518 24.828 ( 2.533 -1.401 -3.867) 4.830 24.940 ( 1.302 -0.584 0.135) 1.434 24.969 ( 1.123 -0.006 -0.646) 1.296 25.038 ( -4.359 -15.627 4.964) 16.966 25.584 ( 2.030 12.845 -8.234) 15.392 25.655 ( -1.301 -2.738 -9.979) 10.430 25.810 ( 0.670 9.482 -11.145) 14.648 26.215 ( -0.357 0.241 0.679) 0.804 26.255 ( 0.664 -0.834 -0.327) 1.116 26.400 ( -0.040 0.349 -1.655) 1.692 26.419 ( 0.116 3.096 -3.165) 4.429 43.590 ( 0.115 -0.946 -13.978) 14.010 43.662 ( -0.160 7.969 -16.400) 18.235 50.183 ( -1.017 2.838 1.414) 3.330 50.396 ( 2.085 5.495 -5.556) 8.087 51.091 ( 0.020 -3.293 -7.420) 8.118 51.184 ( -0.084 6.939 -10.106) 12.259 59.351 ( -0.358 -1.732 0.725) 1.911 59.395 ( 0.119 0.191 -0.561) 0.604 ======================= Grid point 280 (94/125) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 -4.993 -0.058) 4.994 1.517 ( -0.000 1.407 7.039) 7.178 1.665 ( -0.000 3.298 -4.746) 5.780 1.683 ( 0.000 -6.616 4.342) 7.914 1.867 ( -0.000 12.364 10.276) 16.077 1.956 ( -0.000 0.252 4.320) 4.327 2.002 ( 0.000 -5.351 -5.184) 7.450 2.196 ( 0.000 -10.315 -1.468) 10.419 2.293 ( -0.000 0.351 -9.567) 9.573 2.320 ( 0.000 -2.986 -4.682) 5.553 2.337 ( -0.000 0.125 -6.790) 6.791 2.461 ( -0.000 6.890 -8.123) 10.652 2.808 ( 0.000 -1.055 1.190) 1.590 2.825 ( -0.000 1.499 1.311) 1.992 3.405 ( -0.000 3.294 4.771) 5.798 3.448 ( 0.000 -1.032 2.551) 2.752 3.882 ( -0.000 2.269 5.531) 5.979 3.934 ( -0.000 1.341 5.259) 5.427 14.411 ( -0.000 3.550 0.496) 3.585 14.429 ( 0.000 -2.559 -0.008) 2.559 14.864 ( -0.000 4.630 5.205) 6.966 14.904 ( -0.000 0.450 3.936) 3.961 17.567 ( -0.000 5.541 -0.308) 5.550 17.640 ( 0.000 -8.927 -3.253) 9.502 23.137 ( -0.000 0.246 19.746) 19.748 23.203 ( -0.000 1.485 16.558) 16.624 23.537 ( -0.000 19.212 1.414) 19.264 23.797 ( 0.000 -14.366 2.779) 14.632 24.077 ( 0.000 -3.283 -2.577) 4.174 24.105 ( -0.000 2.383 -6.814) 7.219 24.184 ( -0.000 3.618 6.319) 7.281 24.337 ( -0.000 1.234 4.194) 4.372 24.450 ( 0.000 -0.641 0.658) 0.919 24.521 ( -0.000 9.693 -5.409) 11.100 24.778 ( 0.000 -0.850 -1.648) 1.854 24.838 ( -0.000 0.561 -3.272) 3.320 24.932 ( -0.000 0.864 -0.475) 0.986 24.979 ( 0.000 -0.239 -2.467) 2.478 25.334 ( -0.000 12.089 -3.882) 12.697 25.346 ( 0.000 -15.870 2.312) 16.037 25.721 ( 0.000 -0.879 -10.342) 10.380 25.739 ( 0.000 -5.383 -7.542) 9.266 26.213 ( 0.000 -0.263 1.047) 1.079 26.274 ( 0.000 -0.866 -0.435) 0.969 26.384 ( -0.000 0.181 -1.137) 1.151 26.412 ( 0.000 -0.944 -1.632) 1.885 43.574 ( -0.000 0.889 -13.760) 13.788 43.684 ( 0.000 -8.596 -17.094) 19.134 50.136 ( -0.000 1.490 0.730) 1.659 50.310 ( -0.000 4.126 -4.872) 6.384 51.088 ( -0.000 2.908 -7.480) 8.026 51.195 ( 0.000 -7.379 -10.391) 12.744 59.380 ( 0.000 -1.349 0.058) 1.351 59.394 ( 0.000 -0.096 -0.484) 0.493 ======================= Grid point 285 (95/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 5.497 0.000 10.785) 12.105 1.310 ( 12.672 0.000 6.611) 14.293 1.535 ( 3.698 0.000 -0.716) 3.767 1.620 ( 0.145 0.000 3.708) 3.710 1.734 ( -12.563 -0.000 -1.910) 12.708 1.822 ( -7.016 -0.000 -8.079) 10.700 2.108 ( -12.482 -0.000 7.457) 14.540 2.257 ( 8.266 0.000 13.192) 15.568 2.269 ( 6.287 0.000 0.986) 6.364 2.585 ( 2.985 0.000 -2.522) 3.908 2.600 ( -5.477 -0.000 -7.216) 9.060 2.674 ( -2.518 -0.000 1.458) 2.910 3.035 ( 3.413 0.000 5.562) 6.526 3.117 ( 4.595 0.000 2.486) 5.225 3.197 ( 5.439 0.000 2.218) 5.874 3.414 ( 2.309 0.000 -6.260) 6.672 3.425 ( -3.676 -0.000 -2.712) 4.568 3.515 ( -6.170 -0.000 -4.633) 7.716 14.274 ( 1.360 0.000 5.341) 5.511 14.440 ( 0.473 0.000 10.375) 10.386 14.580 ( 1.304 0.000 -4.633) 4.813 14.776 ( 1.464 0.000 -0.279) 1.490 17.221 ( -1.080 -0.000 14.222) 14.263 18.122 ( -0.326 -0.000 -13.985) 13.989 22.380 ( -0.344 -0.000 -1.246) 1.293 22.394 ( 0.023 0.000 -1.034) 1.034 23.098 ( 1.117 0.000 18.069) 18.103 23.860 ( 1.205 0.000 7.065) 7.167 23.993 ( 3.762 0.000 -5.809) 6.921 24.121 ( 1.025 0.000 -5.676) 5.768 24.224 ( 2.056 0.000 4.086) 4.574 24.271 ( -2.009 -0.000 3.710) 4.219 24.441 ( -2.472 -0.000 9.667) 9.978 24.518 ( -2.918 -0.000 23.048) 23.232 24.809 ( 3.450 0.000 8.912) 9.556 24.912 ( 2.361 0.000 1.280) 2.685 24.913 ( -2.132 -0.000 1.645) 2.692 24.923 ( -5.008 -0.000 4.639) 6.827 24.982 ( 2.409 0.000 1.415) 2.794 25.809 ( -11.213 -0.000 -6.697) 13.061 26.083 ( 0.803 0.000 -6.852) 6.899 26.187 ( 1.880 0.000 -2.470) 3.104 26.233 ( -0.097 -0.000 -1.971) 1.973 26.257 ( -1.515 -0.000 -1.379) 2.049 26.470 ( 0.216 0.000 -1.969) 1.981 27.127 ( 17.597 0.000 -41.494) 45.071 43.990 ( 0.027 0.000 17.363) 17.363 44.468 ( -3.341 -0.000 6.455) 7.269 50.351 ( 4.238 0.000 2.696) 5.023 50.646 ( 12.381 0.000 -8.827) 15.206 51.167 ( -0.361 -0.000 15.451) 15.456 51.595 ( 0.294 0.000 2.308) 2.327 59.317 ( -2.829 -0.000 1.197) 3.072 59.406 ( 0.065 0.000 -0.211) 0.221 ======================= Grid point 286 (96/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 7.121 -0.503 6.916) 9.939 1.413 ( 8.522 -0.607 3.184) 9.118 1.490 ( -0.723 3.401 -0.290) 3.489 1.604 ( -8.270 2.240 1.045) 8.632 1.688 ( 2.038 -3.024 1.526) 3.953 1.796 ( -5.860 -2.249 -5.363) 8.256 1.976 ( -11.590 2.508 8.372) 14.516 2.331 ( 6.539 -1.458 -0.242) 6.704 2.396 ( 6.168 -6.614 9.580) 13.174 2.538 ( -3.008 2.469 -6.058) 7.200 2.613 ( 2.106 -0.586 -2.208) 3.107 2.625 ( -2.529 3.010 1.269) 4.131 2.856 ( 2.276 11.293 2.473) 11.782 3.083 ( 2.036 10.585 -2.144) 10.990 3.366 ( 3.611 -12.615 5.615) 14.273 3.406 ( -1.921 -1.737 -1.955) 3.245 3.460 ( -5.666 0.335 -4.185) 7.052 3.582 ( 1.713 -9.595 -1.367) 9.842 14.277 ( 0.628 0.118 5.749) 5.784 14.502 ( 0.360 -5.293 9.183) 10.605 14.590 ( 1.155 -0.097 -4.313) 4.467 14.803 ( 1.004 -1.752 0.163) 2.026 17.224 ( -1.043 -1.176 13.122) 13.215 18.080 ( -0.199 3.998 -13.630) 14.205 22.475 ( -0.538 -10.047 -0.621) 10.081 22.509 ( -0.277 -11.115 -1.156) 11.178 23.111 ( 0.755 -0.593 18.722) 18.746 23.876 ( 0.698 -1.104 6.382) 6.515 24.061 ( 2.974 -3.558 -5.415) 7.130 24.136 ( -0.282 -1.362 -6.040) 6.198 24.233 ( -1.098 -0.845 1.765) 2.243 24.293 ( 0.956 -2.671 4.268) 5.125 24.412 ( -1.488 1.318 12.823) 12.976 24.497 ( -2.782 -0.303 22.993) 23.163 24.799 ( 2.399 3.139 9.024) 9.851 24.847 ( -1.531 2.345 3.570) 4.537 24.896 ( 0.217 1.631 -1.242) 2.062 24.943 ( -0.341 -0.933 1.033) 1.433 25.013 ( 2.577 -0.463 2.380) 3.538 25.705 ( -8.843 1.970 -9.007) 12.775 26.059 ( 0.878 3.257 -6.553) 7.370 26.192 ( 1.843 0.942 -2.670) 3.379 26.228 ( 0.403 0.257 -1.888) 1.948 26.247 ( -1.654 0.165 -2.036) 2.629 26.463 ( 0.454 1.018 -2.126) 2.400 27.102 ( 11.267 13.806 -39.101) 42.970 43.927 ( 0.097 6.245 13.819) 15.165 44.357 ( -1.951 8.883 3.879) 9.887 50.360 ( 2.751 1.932 3.308) 4.716 50.691 ( 8.722 3.896 -9.029) 13.144 51.145 ( -0.262 1.906 13.343) 13.481 51.573 ( -0.018 2.704 0.305) 2.721 59.298 ( -2.008 -0.139 1.615) 2.581 59.405 ( 0.015 0.063 -0.407) 0.412 ======================= Grid point 287 (97/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 3.707 2.244 1.130) 4.479 1.391 ( 0.445 2.770 -3.337) 4.360 1.429 ( -7.795 -1.070 0.963) 7.927 1.635 ( 9.578 -3.561 7.109) 12.448 1.757 ( 0.221 -3.010 -3.701) 4.776 1.811 ( -2.692 -2.642 2.654) 4.612 1.868 ( -9.889 -0.461 7.653) 12.512 2.406 ( 5.715 -0.371 -4.670) 7.390 2.449 ( -0.711 4.416 -2.688) 5.218 2.514 ( -2.717 4.430 -0.687) 5.242 2.571 ( 2.352 -3.859 4.151) 6.137 2.609 ( 0.237 4.434 -3.852) 5.878 2.717 ( 3.772 2.859 2.388) 5.301 2.907 ( 0.266 7.541 -2.932) 8.095 3.392 ( -4.212 0.723 -1.918) 4.684 3.432 ( -1.878 -1.744 -1.182) 2.822 3.629 ( 2.030 -11.263 7.174) 13.508 3.761 ( 1.364 -7.325 2.430) 7.837 14.290 ( 0.077 -1.314 5.229) 5.392 14.566 ( 0.254 0.503 -2.073) 2.148 14.649 ( 0.565 -6.377 6.198) 8.910 14.856 ( 0.432 -3.014 1.081) 3.231 17.253 ( -0.829 -2.872 10.181) 10.611 17.975 ( -0.054 6.635 -12.258) 13.939 22.733 ( -0.789 -16.167 1.475) 16.254 22.764 ( -0.201 -15.027 0.945) 15.058 23.132 ( 0.263 -1.213 19.751) 19.790 23.912 ( 0.033 -2.200 4.729) 5.216 24.133 ( 1.100 -0.713 -10.275) 10.358 24.167 ( -0.775 -2.610 -1.569) 3.143 24.259 ( -0.745 -2.418 -1.065) 2.745 24.348 ( 2.072 0.684 11.507) 11.713 24.379 ( -1.148 -1.049 3.962) 4.256 24.518 ( -1.522 -5.035 22.505) 23.111 24.745 ( 1.049 3.308 6.692) 7.538 24.809 ( 0.173 1.146 2.092) 2.391 24.855 ( 0.367 2.989 -2.449) 3.882 24.952 ( -0.177 -0.300 0.570) 0.668 25.024 ( 1.170 0.848 1.595) 2.152 25.622 ( -3.521 1.362 -10.798) 11.439 25.973 ( 0.404 6.327 -7.473) 9.800 26.165 ( 2.011 4.466 -6.004) 7.748 26.224 ( -1.716 0.153 -0.834) 1.914 26.233 ( 0.578 -0.120 -1.611) 1.716 26.440 ( 0.229 1.520 -2.482) 2.919 26.831 ( 3.837 18.459 -26.260) 32.328 43.780 ( 0.115 8.460 4.843) 9.749 44.126 ( -0.615 13.454 -4.197) 14.107 50.320 ( 0.872 3.580 3.230) 4.900 50.639 ( 4.028 6.378 -8.058) 11.038 51.100 ( -0.096 2.392 7.287) 7.670 51.484 ( -0.156 6.477 -4.109) 7.672 59.296 ( -0.921 -0.821 1.903) 2.268 59.403 ( -0.017 0.169 -0.582) 0.606 ======================= Grid point 288 (98/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.000 1.617 -1.652) 2.312 1.380 ( 0.000 -1.526 -5.151) 5.372 1.461 ( 0.000 -4.221 4.237) 5.981 1.775 ( 0.000 -5.327 5.368) 7.562 1.817 ( 0.000 -3.798 -6.417) 7.456 1.839 ( 0.000 -0.639 7.693) 7.719 1.873 ( 0.000 -5.215 5.292) 7.430 2.315 ( -0.000 9.398 6.441) 11.394 2.385 ( -0.000 5.486 -8.061) 9.750 2.411 ( -0.000 3.416 -10.146) 10.706 2.485 ( -0.000 6.138 -6.746) 9.120 2.624 ( -0.000 0.156 -0.121) 0.198 2.750 ( 0.000 -1.829 1.820) 2.580 2.830 ( -0.000 0.949 -0.976) 1.361 3.375 ( 0.000 -1.096 1.107) 1.558 3.450 ( 0.000 -0.834 0.869) 1.204 3.818 ( 0.000 -7.480 7.393) 10.517 3.872 ( 0.000 -3.597 4.953) 6.121 14.326 ( 0.000 -2.331 3.742) 4.408 14.535 ( -0.000 2.460 -2.656) 3.620 14.777 ( 0.000 -6.162 6.749) 9.139 14.910 ( 0.000 -2.134 2.165) 3.040 17.329 ( 0.000 -5.536 6.016) 8.175 17.839 ( -0.000 7.414 -9.571) 12.107 22.980 ( 0.000 -9.829 9.293) 13.527 23.107 ( 0.000 -19.873 1.654) 19.942 23.161 ( 0.000 -1.757 20.583) 20.658 23.956 ( 0.000 -2.551 1.953) 3.213 24.079 ( -0.000 7.021 -6.718) 9.717 24.191 ( -0.000 0.520 -4.083) 4.116 24.301 ( -0.000 3.002 13.005) 13.347 24.304 ( 0.000 -2.541 2.044) 3.261 24.421 ( 0.000 -1.657 0.344) 1.692 24.702 ( 0.000 -14.300 14.543) 20.395 24.714 ( -0.000 0.025 1.467) 1.467 24.778 ( -0.000 4.153 -3.047) 5.151 24.813 ( 0.000 -0.399 -1.709) 1.755 24.953 ( -0.000 0.093 0.023) 0.096 25.002 ( -0.000 1.694 0.115) 1.697 25.605 ( 0.000 -0.923 -11.189) 11.227 25.820 ( -0.000 10.037 -8.906) 13.418 26.027 ( -0.000 10.742 -10.862) 15.277 26.217 ( -0.000 0.090 0.144) 0.170 26.243 ( 0.000 -0.617 -0.789) 1.002 26.413 ( -0.000 1.195 -2.274) 2.568 26.548 ( -0.000 11.063 -10.953) 15.568 43.639 ( -0.000 5.614 -5.759) 8.043 43.865 ( -0.000 12.889 -12.519) 17.968 50.248 ( -0.000 3.975 2.551) 4.724 50.525 ( -0.000 6.777 -6.806) 9.604 51.067 ( -0.000 0.585 -0.697) 0.910 51.336 ( -0.000 8.469 -8.431) 11.951 59.316 ( 0.000 -1.591 1.561) 2.229 59.399 ( -0.000 0.222 -0.637) 0.674 ======================= Grid point 296 (99/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 10.187 0.000 4.717) 11.226 1.478 ( -11.606 -0.000 -1.193) 11.667 1.484 ( 8.159 0.000 2.024) 8.406 1.627 ( 0.217 0.000 2.457) 2.467 1.639 ( 1.914 0.000 3.201) 3.730 1.729 ( -4.289 -0.000 -7.151) 8.338 1.932 ( -8.427 -0.000 10.107) 13.160 2.352 ( 3.396 0.000 0.394) 3.419 2.362 ( 4.026 0.000 10.522) 11.266 2.539 ( -1.964 -0.000 -7.481) 7.735 2.615 ( 0.815 0.000 -1.279) 1.516 2.638 ( -1.639 -0.000 3.082) 3.491 3.070 ( 1.184 0.000 5.562) 5.686 3.165 ( 1.563 0.000 3.948) 4.246 3.258 ( 2.197 0.000 2.258) 3.151 3.381 ( -1.712 -0.000 -3.456) 3.856 3.433 ( -0.870 -0.000 -6.064) 6.126 3.447 ( -1.111 -0.000 -5.764) 5.870 14.289 ( 0.503 0.000 5.379) 5.403 14.445 ( 0.151 0.000 10.627) 10.628 14.595 ( 0.543 0.000 -4.631) 4.662 14.793 ( 0.578 0.000 -0.312) 0.657 17.209 ( -0.418 -0.000 14.169) 14.175 18.119 ( -0.083 -0.000 -14.192) 14.192 22.377 ( -0.123 -0.000 -1.283) 1.289 22.394 ( 0.009 0.000 -1.239) 1.239 23.110 ( 0.428 0.000 18.557) 18.562 23.870 ( 0.262 0.000 7.952) 7.956 24.051 ( 3.498 0.000 -3.436) 4.903 24.113 ( -1.866 -0.000 -8.868) 9.062 24.236 ( 0.078 0.000 -1.016) 1.019 24.241 ( -1.309 -0.000 8.395) 8.497 24.420 ( -0.443 -0.000 17.033) 17.039 24.483 ( -1.195 -0.000 21.125) 21.159 24.846 ( 1.164 0.000 8.618) 8.696 24.855 ( -1.994 -0.000 4.566) 4.982 24.915 ( 0.206 0.000 -0.421) 0.469 24.930 ( 0.334 0.000 0.658) 0.738 25.030 ( 2.541 0.000 4.017) 4.754 25.664 ( -5.733 -0.000 -9.453) 11.055 26.098 ( 0.657 0.000 -6.192) 6.227 26.207 ( 0.797 0.000 -1.368) 1.583 26.233 ( 0.040 0.000 -2.866) 2.866 26.238 ( -0.827 -0.000 -2.384) 2.523 26.476 ( 0.359 0.000 -2.002) 2.034 27.321 ( 6.737 0.000 -48.131) 48.600 43.991 ( 0.013 0.000 17.284) 17.284 44.431 ( -1.233 -0.000 8.070) 8.163 50.398 ( 1.674 0.000 4.101) 4.430 50.784 ( 4.816 0.000 -10.469) 11.524 51.163 ( -0.166 -0.000 15.690) 15.691 51.598 ( 0.113 0.000 2.301) 2.304 59.285 ( -1.103 -0.000 1.647) 1.983 59.406 ( 0.023 0.000 -0.435) 0.436 ======================= Grid point 297 (100/125) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -1.769 2.743) 3.264 1.353 ( -0.000 4.789 -0.304) 4.798 1.472 ( -0.000 4.666 -1.949) 5.057 1.620 ( 0.000 -2.324 5.129) 5.631 1.721 ( 0.000 -1.135 -6.658) 6.754 1.729 ( 0.000 -4.347 4.109) 5.982 1.855 ( -0.000 3.134 10.595) 11.048 2.394 ( 0.000 -2.582 -0.876) 2.727 2.441 ( 0.000 -4.846 5.071) 7.015 2.518 ( -0.000 0.858 -4.273) 4.358 2.599 ( -0.000 3.353 3.384) 4.764 2.630 ( 0.000 -0.957 -1.560) 1.830 2.875 ( -0.000 11.083 3.128) 11.516 3.099 ( -0.000 11.313 -2.094) 11.505 3.386 ( 0.000 -0.878 -3.042) 3.166 3.396 ( 0.000 -13.553 6.290) 14.941 3.412 ( -0.000 1.091 -4.888) 5.008 3.598 ( 0.000 -10.006 -0.887) 10.045 14.282 ( -0.000 0.322 5.858) 5.867 14.505 ( 0.000 -5.214 9.042) 10.437 14.599 ( 0.000 -0.263 -4.148) 4.156 14.811 ( 0.000 -1.686 0.152) 1.693 17.216 ( 0.000 -0.982 13.109) 13.146 18.079 ( -0.000 4.000 -13.779) 14.348 22.471 ( 0.000 -9.857 -0.528) 9.871 22.507 ( 0.000 -10.862 -1.249) 10.934 23.117 ( 0.000 -0.537 18.973) 18.980 23.881 ( 0.000 -1.075 7.077) 7.159 24.099 ( 0.000 -2.931 0.435) 2.963 24.117 ( 0.000 -1.438 -12.518) 12.600 24.220 ( 0.000 -0.735 2.098) 2.223 24.300 ( 0.000 -3.959 2.721) 4.804 24.402 ( -0.000 1.659 17.339) 17.418 24.476 ( 0.000 -0.028 21.231) 21.231 24.817 ( -0.000 3.139 8.721) 9.269 24.833 ( -0.000 1.263 2.796) 3.068 24.900 ( -0.000 1.559 -0.372) 1.603 24.942 ( 0.000 -0.702 0.822) 1.081 25.040 ( -0.000 0.181 3.674) 3.678 25.630 ( -0.000 1.066 -10.248) 10.303 26.067 ( -0.000 3.419 -6.357) 7.218 26.212 ( 0.000 -0.153 -0.791) 0.806 26.226 ( -0.000 1.192 -3.692) 3.879 26.233 ( 0.000 -0.046 -2.654) 2.654 26.467 ( -0.000 1.056 -2.287) 2.519 27.192 ( -0.000 15.035 -42.274) 44.868 43.928 ( -0.000 6.191 13.767) 15.095 44.341 ( -0.000 8.579 4.563) 9.717 50.382 ( -0.000 2.260 4.061) 4.647 50.761 ( -0.000 4.211 -9.914) 10.771 51.143 ( -0.000 1.878 13.485) 13.615 51.573 ( -0.000 2.857 0.384) 2.882 59.282 ( 0.000 -0.205 1.867) 1.878 59.406 ( -0.000 0.085 -0.512) 0.519 ======================= Grid point 340 (101/125) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 0.000 9.370) 9.370 1.284 ( 0.000 0.000 -5.918) 5.918 1.509 ( 0.000 0.000 16.626) 16.626 1.804 ( 0.000 0.000 -14.273) 14.273 1.850 ( 0.000 0.000 8.979) 8.979 1.954 ( 0.000 0.000 1.043) 1.043 2.084 ( 0.000 0.000 3.622) 3.622 2.162 ( 0.000 0.000 -4.483) 4.483 2.593 ( 0.000 0.000 5.193) 5.193 2.647 ( 0.000 0.000 3.730) 3.730 2.735 ( 0.000 0.000 -4.759) 4.759 2.754 ( 0.000 0.000 -8.195) 8.195 2.848 ( 0.000 0.000 2.387) 2.387 2.876 ( 0.000 0.000 -0.567) 0.567 2.973 ( 0.000 0.000 9.269) 9.269 3.146 ( 0.000 0.000 -8.682) 8.682 3.578 ( 0.000 0.000 2.705) 2.705 3.644 ( 0.000 0.000 -3.854) 3.854 14.322 ( 0.000 0.000 5.664) 5.664 14.425 ( 0.000 0.000 -4.879) 4.879 14.591 ( 0.000 0.000 6.624) 6.624 14.689 ( 0.000 0.000 -3.388) 3.388 17.558 ( 0.000 0.000 16.013) 16.013 17.862 ( 0.000 0.000 -15.581) 15.581 22.383 ( 0.000 0.000 -0.178) 0.178 22.386 ( 0.000 0.000 -0.376) 0.376 23.376 ( 0.000 0.000 16.940) 16.940 23.681 ( 0.000 0.000 -14.521) 14.521 23.886 ( 0.000 0.000 4.326) 4.326 23.966 ( 0.000 0.000 -4.032) 4.032 24.170 ( 0.000 0.000 6.181) 6.181 24.270 ( 0.000 0.000 -3.855) 3.855 24.468 ( 0.000 0.000 2.040) 2.040 24.514 ( 0.000 0.000 -2.394) 2.394 24.867 ( 0.000 0.000 1.244) 1.244 24.874 ( 0.000 0.000 1.013) 1.013 24.993 ( 0.000 0.000 1.164) 1.164 24.999 ( 0.000 0.000 0.895) 0.895 25.719 ( 0.000 0.000 20.767) 20.767 25.913 ( 0.000 0.000 2.497) 2.497 25.951 ( 0.000 0.000 -1.388) 1.388 26.058 ( 0.000 0.000 -13.515) 13.515 26.262 ( 0.000 0.000 -1.081) 1.081 26.269 ( 0.000 0.000 -2.059) 2.059 26.446 ( 0.000 0.000 0.641) 0.641 26.478 ( 0.000 0.000 -3.136) 3.136 44.305 ( 0.000 0.000 14.634) 14.634 44.525 ( 0.000 0.000 -8.175) 8.175 50.144 ( 0.000 0.000 0.029) 0.029 50.156 ( 0.000 0.000 -1.248) 1.248 51.432 ( 0.000 0.000 10.712) 10.712 51.572 ( 0.000 0.000 -3.834) 3.834 59.410 ( 0.000 0.000 0.298) 0.298 59.416 ( 0.000 0.000 -0.393) 0.393 ======================= Grid point 341 (102/125) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 2.169 -5.485 9.238) 10.960 1.341 ( 1.260 -4.870 -5.319) 7.321 1.546 ( -2.232 -4.462 16.028) 16.786 1.800 ( -3.797 1.718 2.606) 4.915 1.845 ( -0.218 -2.581 -8.993) 9.358 1.912 ( -1.258 3.864 -0.945) 4.172 2.074 ( 2.932 2.109 4.028) 5.410 2.154 ( 2.550 1.648 -4.008) 5.028 2.511 ( -3.754 4.975 3.749) 7.273 2.622 ( -3.117 6.710 -6.751) 10.016 2.689 ( -2.755 -1.315 3.987) 5.021 2.707 ( 3.539 8.523 4.819) 10.411 2.747 ( -2.544 5.715 -2.070) 6.589 2.811 ( 3.550 2.623 -4.947) 6.629 3.142 ( 4.580 -9.657 6.071) 12.292 3.251 ( 3.074 -7.218 -5.447) 9.551 3.632 ( -1.638 -5.746 1.564) 6.177 3.673 ( -1.901 -3.615 -2.573) 4.827 14.334 ( 0.527 -0.981 5.390) 5.504 14.434 ( 0.608 -0.492 -4.910) 4.972 14.629 ( 0.309 -3.786 6.492) 7.522 14.720 ( 0.459 -3.009 -2.974) 4.256 17.557 ( -0.552 -0.070 14.739) 14.749 17.838 ( -0.399 2.323 -14.492) 14.682 22.491 ( -0.140 -11.374 0.993) 11.418 22.519 ( -0.341 -12.948 -1.756) 13.071 23.393 ( 0.740 -1.456 17.192) 17.269 23.701 ( 0.838 -1.709 -14.660) 14.783 23.929 ( 0.727 -4.036 3.845) 5.621 24.001 ( 0.742 -3.265 -3.560) 4.887 24.186 ( 3.062 -0.384 6.149) 6.880 24.283 ( 1.760 -0.391 -3.542) 3.975 24.443 ( 2.062 3.242 2.388) 4.523 24.494 ( 0.456 2.061 -2.467) 3.246 24.851 ( -0.167 1.527 1.685) 2.280 24.869 ( -0.093 0.674 0.108) 0.689 24.983 ( -0.375 0.872 1.139) 1.482 24.989 ( -0.806 0.610 0.805) 1.292 25.627 ( -4.817 6.903 20.615) 22.267 25.892 ( 0.860 2.821 2.391) 3.797 25.937 ( 1.627 2.661 -2.578) 4.046 25.975 ( -2.661 6.866 -13.976) 15.797 26.256 ( -0.732 0.286 -0.543) 0.955 26.267 ( -0.220 0.031 -1.863) 1.876 26.445 ( 0.446 0.387 -0.295) 0.660 26.459 ( -0.765 1.381 -1.967) 2.522 44.183 ( -0.085 12.003 12.612) 17.411 44.384 ( -0.425 13.829 -8.080) 16.022 50.153 ( 3.560 0.495 -0.027) 3.595 50.165 ( 2.461 0.065 -1.280) 2.775 51.381 ( -0.029 5.192 9.969) 11.240 51.526 ( 0.035 4.998 -5.004) 7.073 59.408 ( -0.217 0.166 0.110) 0.294 59.410 ( -0.610 0.326 -0.207) 0.722 ======================= Grid point 342 (103/125) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 1.831 -8.238 7.328) 11.177 1.435 ( -1.350 -2.530 -1.079) 3.064 1.617 ( -5.664 -4.641 13.310) 15.192 1.734 ( -1.659 0.370 0.440) 1.755 1.805 ( -2.600 3.660 -1.037) 4.608 1.917 ( -4.115 -5.249 -10.916) 12.792 2.062 ( 6.990 2.441 3.704) 8.279 2.150 ( 7.460 2.578 -4.264) 8.971 2.373 ( -5.232 5.246 2.844) 7.936 2.458 ( -2.609 7.480 -5.443) 9.611 2.536 ( 3.286 9.791 0.924) 10.369 2.562 ( 0.390 11.022 -1.447) 11.123 2.731 ( -3.835 -3.052 4.488) 6.646 2.805 ( -1.422 0.043 -3.081) 3.394 3.359 ( 7.847 -7.548 3.998) 11.599 3.415 ( 5.635 -5.822 -2.014) 8.349 3.742 ( -3.588 -6.098 0.455) 7.090 3.749 ( -2.934 -7.290 -0.189) 7.860 14.362 ( 0.572 -1.365 4.459) 4.698 14.445 ( 0.858 0.002 -4.185) 4.272 14.732 ( 0.680 -6.269 5.537) 8.392 14.804 ( 0.765 -4.886 -1.877) 5.290 17.550 ( -1.328 -0.001 11.320) 11.397 17.770 ( -0.784 4.138 -11.596) 12.337 22.785 ( -0.480 -18.756 2.188) 18.889 22.832 ( -1.215 -19.151 -2.391) 19.338 23.441 ( 1.327 -2.584 17.875) 18.109 23.757 ( 1.664 -2.998 -14.929) 15.318 24.032 ( -0.172 -5.665 3.210) 6.514 24.095 ( 0.338 -5.763 -3.025) 6.518 24.217 ( 5.618 1.371 4.865) 7.557 24.291 ( 3.077 2.587 -2.853) 4.929 24.398 ( 3.407 2.297 4.434) 6.045 24.468 ( 2.820 1.077 -2.769) 4.097 24.809 ( -1.019 2.320 1.770) 3.091 24.843 ( -0.836 1.812 -1.517) 2.507 24.957 ( -0.627 1.313 1.614) 2.173 24.969 ( -0.871 0.770 0.358) 1.216 25.426 ( -6.695 8.071 18.405) 21.183 25.749 ( -5.718 9.896 -12.148) 16.679 25.829 ( 1.658 6.596 -0.582) 6.826 25.883 ( 2.307 5.646 -4.251) 7.434 26.242 ( -1.011 0.385 0.594) 1.234 26.263 ( -0.538 0.193 -1.532) 1.635 26.425 ( -0.349 1.549 -0.498) 1.665 26.433 ( 0.436 1.235 -1.366) 1.892 43.890 ( 0.001 17.249 7.479) 18.801 44.044 ( -0.423 19.917 -8.346) 21.599 50.176 ( 5.544 0.843 -0.139) 5.609 50.188 ( 3.541 0.094 -1.326) 3.782 51.246 ( -0.044 8.406 7.396) 11.196 51.384 ( -0.061 9.468 -6.896) 11.713 59.396 ( -0.952 0.404 0.185) 1.050 59.401 ( -0.349 0.315 -0.281) 0.547 ======================= Grid point 343 (104/125) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.361 4.602 2.543) 6.832 1.436 ( -7.266 1.864 -3.344) 8.213 1.649 ( 2.419 -6.065 11.438) 13.171 1.811 ( -5.150 -6.534 7.744) 11.367 1.819 ( 0.706 -6.934 -5.541) 8.904 1.943 ( -1.659 -0.007 -1.905) 2.527 2.115 ( 4.071 -2.788 -3.286) 5.928 2.170 ( 10.492 2.939 -5.360) 12.143 2.251 ( -3.522 3.506 2.192) 5.432 2.314 ( -0.174 6.281 -3.311) 7.103 2.351 ( -0.330 10.623 -0.429) 10.637 2.377 ( 1.454 8.950 -2.525) 9.413 2.747 ( -3.946 -1.741 2.530) 5.001 2.783 ( -2.618 0.562 -1.409) 3.025 3.531 ( 7.045 -4.100 2.018) 8.398 3.546 ( 5.394 -3.274 0.305) 6.318 3.829 ( -3.452 -5.926 2.855) 7.428 3.860 ( -2.758 -5.935 -0.173) 6.547 14.392 ( 0.269 -1.374 2.905) 3.225 14.446 ( 0.793 0.584 -2.700) 2.874 14.858 ( 0.680 -5.794 4.081) 7.119 14.901 ( 0.724 -4.258 -0.441) 4.342 17.540 ( -1.827 -0.346 6.682) 6.936 17.677 ( -0.731 4.736 -7.644) 9.022 23.155 ( -0.993 -19.038 2.621) 19.243 23.180 ( -2.035 -18.037 0.450) 18.157 23.502 ( 1.524 -2.337 18.277) 18.489 23.824 ( 1.599 -1.528 -15.117) 15.278 24.104 ( -1.421 -1.565 4.844) 5.285 24.186 ( 1.597 -1.293 -1.860) 2.772 24.213 ( 1.983 1.828 -0.571) 2.757 24.232 ( 3.838 3.268 -0.503) 5.066 24.454 ( 5.578 -3.758 4.127) 7.891 24.506 ( 5.525 -1.261 -1.348) 5.825 24.749 ( -2.670 2.453 0.966) 3.752 24.784 ( -2.601 2.927 -2.497) 4.644 24.932 ( -0.176 0.684 1.454) 1.617 24.947 ( -0.601 0.882 -0.230) 1.091 25.273 ( -5.478 1.869 13.138) 14.356 25.539 ( -4.540 6.318 -12.557) 14.772 25.682 ( 1.510 10.084 0.903) 10.236 25.760 ( 1.321 8.514 -6.099) 10.557 26.229 ( -0.783 0.247 1.024) 1.312 26.251 ( -0.827 0.506 -1.201) 1.543 26.399 ( 0.137 1.061 -0.116) 1.077 26.409 ( 0.164 1.340 -1.266) 1.851 43.581 ( 0.125 13.905 1.223) 13.960 43.677 ( -0.260 16.956 -8.648) 19.035 50.203 ( 5.280 0.876 -0.315) 5.361 50.212 ( 2.601 0.003 -1.256) 2.889 51.088 ( -0.019 7.378 3.045) 7.982 51.189 ( -0.123 10.118 -7.345) 12.503 59.383 ( -0.879 0.167 0.377) 0.971 59.392 ( -0.300 0.426 -0.454) 0.690 ======================= Grid point 344 (105/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.618 2.011 -0.222) 2.115 1.308 ( -5.194 3.299 -3.332) 6.998 1.833 ( 3.212 -8.021 8.162) 11.885 1.873 ( -5.939 -4.805 4.240) 8.737 1.921 ( 3.027 1.631 3.729) 5.073 1.966 ( -0.711 -4.280 1.352) 4.544 2.129 ( -0.469 3.470 -2.303) 4.191 2.190 ( -2.399 1.508 -1.764) 3.337 2.199 ( -1.111 0.135 -2.760) 2.978 2.210 ( 6.280 1.740 -3.224) 7.271 2.221 ( -0.660 6.494 -5.636) 8.624 2.238 ( 3.379 3.081 -3.740) 5.907 2.744 ( -2.260 -0.773 0.792) 2.517 2.753 ( -1.127 0.740 -0.298) 1.381 3.617 ( 2.490 -1.128 1.258) 3.009 3.618 ( 2.266 -1.039 1.116) 2.731 3.902 ( -0.711 -3.014 2.995) 4.308 3.919 ( -1.577 -1.782 1.299) 2.711 14.417 ( -0.150 -1.230 1.036) 1.615 14.436 ( 0.533 0.982 -0.890) 1.428 14.946 ( 0.251 -2.762 2.567) 3.779 14.961 ( 0.320 -1.225 1.064) 1.654 17.545 ( -1.344 -1.755 1.691) 2.784 17.591 ( 0.145 3.696 -3.151) 4.859 23.414 ( -1.684 -9.640 9.228) 13.451 23.481 ( -0.161 -7.131 8.268) 10.920 23.556 ( 0.306 -7.506 6.374) 9.852 23.771 ( 0.551 8.776 -8.746) 12.402 24.114 ( 0.362 -1.546 1.700) 2.326 24.154 ( 3.439 3.845 -1.382) 5.341 24.214 ( 3.291 0.070 0.026) 3.292 24.240 ( -4.296 -1.021 -2.552) 5.100 24.568 ( 5.075 -2.521 1.908) 5.979 24.585 ( 3.930 -2.628 0.622) 4.768 24.677 ( -2.582 2.224 -0.518) 3.447 24.703 ( -4.093 2.482 -2.693) 5.492 24.927 ( 0.200 0.104 -0.049) 0.231 24.930 ( -0.198 0.393 -0.329) 0.549 25.295 ( -3.135 -7.480 7.601) 11.116 25.457 ( 0.469 5.906 -0.682) 5.964 25.502 ( -0.385 3.118 -6.833) 7.520 25.597 ( 0.579 8.497 -8.409) 11.969 26.224 ( -0.090 -0.147 0.360) 0.399 26.233 ( -0.670 0.578 -0.620) 1.080 26.387 ( 0.206 0.312 -0.229) 0.439 26.391 ( -0.062 0.580 -0.625) 0.855 43.402 ( 0.161 4.284 -4.201) 6.002 43.434 ( -0.175 7.530 -7.559) 10.671 50.221 ( 3.076 0.615 -0.620) 3.198 50.225 ( 0.013 -0.257 -0.991) 1.024 50.995 ( 0.034 1.780 -1.821) 2.547 51.031 ( -0.093 5.510 -5.604) 7.860 59.378 ( -0.473 -0.178 0.178) 0.536 59.382 ( -0.001 0.401 -0.232) 0.464 ======================= Grid point 350 (106/125) ======================= q-point: ( 0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 4.946 0.000 8.752) 10.054 1.311 ( 3.263 0.000 -4.930) 5.912 1.483 ( -2.817 -0.000 16.021) 16.267 1.766 ( -4.010 -0.000 -10.017) 10.790 1.828 ( -3.394 -0.000 3.606) 4.952 1.933 ( -3.531 -0.000 -2.413) 4.277 2.124 ( 4.879 0.000 4.373) 6.552 2.193 ( 4.334 0.000 -1.775) 4.684 2.563 ( -2.407 -0.000 5.664) 6.154 2.580 ( -7.700 -0.000 4.820) 9.084 2.684 ( -5.925 -0.000 -5.235) 7.907 2.708 ( -3.492 -0.000 -6.215) 7.129 2.922 ( 7.874 0.000 1.919) 8.104 2.959 ( 8.123 0.000 -1.722) 8.304 3.018 ( 4.797 0.000 8.145) 9.452 3.176 ( 3.438 0.000 -8.167) 8.862 3.554 ( -3.100 -0.000 2.479) 3.970 3.617 ( -3.482 -0.000 -3.767) 5.130 14.331 ( 1.179 0.000 5.649) 5.770 14.435 ( 1.238 0.000 -4.975) 5.126 14.595 ( 0.482 0.000 6.875) 6.892 14.696 ( 0.890 0.000 -3.511) 3.622 17.551 ( -0.861 -0.000 16.059) 16.082 17.856 ( -0.672 -0.000 -15.678) 15.692 22.381 ( -0.314 -0.000 -0.153) 0.350 22.384 ( -0.208 -0.000 -0.445) 0.491 23.387 ( 1.406 0.000 17.093) 17.150 23.694 ( 1.613 0.000 -14.545) 14.634 23.900 ( 1.737 0.000 4.412) 4.742 23.980 ( 1.716 0.000 -3.995) 4.348 24.211 ( 4.501 0.000 5.859) 7.388 24.291 ( 1.566 0.000 -2.269) 2.756 24.507 ( 5.572 0.000 0.568) 5.601 24.521 ( 1.302 0.000 -0.842) 1.550 24.869 ( 0.260 0.000 1.065) 1.096 24.873 ( -0.023 -0.000 1.063) 1.063 24.985 ( -1.643 -0.000 1.121) 1.989 24.987 ( -0.787 -0.000 0.759) 1.093 25.639 ( -9.755 -0.000 21.882) 23.958 25.930 ( 1.645 0.000 2.532) 3.019 25.987 ( 4.021 0.000 -3.132) 5.097 26.004 ( -6.892 -0.000 -15.214) 16.702 26.251 ( -1.200 -0.000 -0.373) 1.257 26.265 ( -0.462 -0.000 -2.038) 2.090 26.457 ( 1.667 0.000 -1.355) 2.148 26.464 ( -1.341 -0.000 -1.944) 2.361 44.303 ( -0.239 -0.000 14.452) 14.454 44.517 ( -0.997 -0.000 -7.662) 7.726 50.196 ( 5.011 0.000 -0.423) 5.028 50.201 ( 7.103 0.000 -0.944) 7.166 51.432 ( -0.050 -0.000 10.815) 10.815 51.574 ( 0.154 0.000 -3.897) 3.900 59.406 ( -1.241 -0.000 0.014) 1.241 59.407 ( -0.405 -0.000 0.017) 0.406 ======================= Grid point 351 (107/125) ======================= q-point: ( 0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 5.292 -4.095 7.834) 10.303 1.372 ( 2.192 -3.133 -2.735) 4.701 1.498 ( -2.778 -3.533 14.307) 14.996 1.736 ( -3.808 0.761 -0.839) 3.973 1.801 ( -5.262 -1.961 -7.338) 9.240 1.856 ( -6.274 3.708 -3.982) 8.305 2.155 ( 6.961 1.310 5.013) 8.677 2.234 ( 7.566 0.290 -1.447) 7.709 2.427 ( -6.671 5.320 4.874) 9.826 2.554 ( -5.406 5.451 -7.277) 10.578 2.627 ( -3.608 -3.528 5.053) 7.142 2.694 ( -3.214 1.658 -1.395) 3.876 2.785 ( 5.347 11.587 3.880) 13.338 2.885 ( 5.178 8.716 -5.629) 11.596 3.249 ( 8.210 -10.676 4.710) 14.268 3.329 ( 6.199 -7.999 -3.592) 10.738 3.584 ( -4.283 -5.871 0.831) 7.315 3.617 ( -5.226 -3.426 -2.351) 6.676 14.349 ( 1.262 -0.694 5.475) 5.662 14.451 ( 1.443 -0.314 -5.094) 5.304 14.638 ( 0.843 -3.920 6.779) 7.876 14.733 ( 1.184 -2.967 -3.130) 4.472 17.541 ( -1.358 0.164 14.901) 14.964 17.827 ( -0.954 2.403 -14.762) 14.986 22.487 ( -0.360 -11.270 0.729) 11.299 22.509 ( -0.810 -12.517 -1.469) 12.629 23.414 ( 1.861 -1.420 17.525) 17.680 23.726 ( 2.230 -1.707 -14.565) 14.833 23.950 ( 1.843 -3.372 3.809) 5.411 24.022 ( 1.908 -2.773 -3.574) 4.909 24.255 ( 4.272 -0.960 4.721) 6.439 24.305 ( 0.086 -0.586 -0.833) 1.023 24.508 ( 4.708 3.128 1.995) 5.994 24.539 ( 8.053 2.154 -0.792) 8.373 24.848 ( -0.071 2.064 1.525) 2.567 24.867 ( -0.118 1.094 -0.232) 1.124 24.967 ( -1.758 0.452 1.460) 2.329 24.974 ( -0.744 0.548 0.405) 1.009 25.493 ( -11.842 5.593 21.644) 25.298 25.852 ( -9.581 6.362 -12.312) 16.848 25.935 ( 1.775 3.168 -1.547) 3.948 25.992 ( 3.965 3.099 -4.787) 6.945 26.239 ( -1.203 0.210 0.469) 1.309 26.261 ( -0.682 0.005 -1.885) 2.005 26.445 ( -0.708 0.984 -0.686) 1.392 26.465 ( 2.298 1.043 -3.317) 4.168 44.181 ( -0.204 11.886 12.311) 17.114 44.372 ( -1.043 13.547 -7.314) 15.431 50.235 ( 6.231 0.664 0.266) 6.272 50.254 ( 8.988 1.140 -1.766) 9.230 51.381 ( -0.067 5.194 10.113) 11.369 51.527 ( 0.089 5.113 -5.031) 7.174 59.393 ( -1.581 0.221 0.509) 1.676 59.402 ( -0.539 0.135 -0.382) 0.674 ======================= Grid point 352 (108/125) ======================= q-point: ( 0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -1.735 -3.319 4.143) 5.585 1.399 ( -3.092 1.389 0.057) 3.391 1.568 ( 0.512 -5.205 13.570) 14.543 1.725 ( -6.120 2.216 -0.095) 6.510 1.726 ( -0.359 -2.639 -2.037) 3.353 1.834 ( -5.727 -4.873 -10.908) 13.249 2.182 ( 7.415 1.854 4.663) 8.954 2.281 ( -5.665 4.511 3.118) 7.884 2.294 ( 9.146 0.855 -2.629) 9.555 2.411 ( -2.940 5.255 -7.158) 9.354 2.564 ( 0.158 9.754 1.257) 9.836 2.582 ( 2.544 9.960 -0.592) 10.297 2.686 ( -1.346 -1.468 6.086) 6.404 2.796 ( 0.389 2.921 -5.172) 5.953 3.482 ( 6.265 -6.435 1.946) 9.190 3.497 ( 3.069 -5.111 0.101) 5.963 3.672 ( -4.252 -7.136 1.768) 8.492 3.705 ( -1.492 -8.433 -1.281) 8.659 14.373 ( 0.809 -0.959 4.771) 4.934 14.462 ( 1.207 0.263 -4.458) 4.626 14.747 ( 1.075 -6.197 5.608) 8.426 14.819 ( 1.176 -4.703 -1.954) 5.227 17.523 ( -2.011 0.260 11.791) 11.964 17.755 ( -1.159 4.099 -12.239) 12.959 22.776 ( -0.713 -18.508 1.596) 18.590 22.808 ( -1.770 -18.548 -1.498) 18.692 23.467 ( 1.894 -2.437 18.364) 18.621 23.790 ( 2.443 -2.875 -14.863) 15.335 24.031 ( -0.187 -3.612 3.278) 4.881 24.102 ( 0.467 -4.075 -3.666) 5.501 24.295 ( 3.307 0.816 2.098) 4.001 24.312 ( 0.234 -0.488 0.129) 0.557 24.493 ( 7.768 2.680 6.130) 10.252 24.565 ( 9.726 2.047 -1.050) 9.995 24.792 ( -0.800 3.315 1.094) 3.581 24.823 ( -1.757 2.852 -2.118) 3.963 24.945 ( -0.592 0.771 2.491) 2.674 24.959 ( -0.250 0.662 0.079) 0.712 25.291 ( -10.239 5.376 18.544) 21.854 25.628 ( -9.551 7.772 -14.816) 19.265 25.857 ( 1.740 6.816 0.043) 7.034 25.925 ( 2.967 6.785 -6.192) 9.653 26.227 ( -0.727 0.185 1.122) 1.349 26.253 ( -0.840 0.248 -1.495) 1.733 26.420 ( -0.225 1.202 -0.049) 1.224 26.448 ( 1.485 2.205 -3.440) 4.348 43.890 ( 0.009 17.103 7.167) 18.544 44.035 ( -0.631 19.584 -7.722) 21.061 50.260 ( 5.423 1.567 0.761) 5.696 50.289 ( 8.487 2.350 -2.323) 9.107 51.245 ( -0.065 8.386 7.472) 11.232 51.383 ( -0.093 9.557 -6.772) 11.713 59.377 ( -1.489 0.116 0.962) 1.777 59.394 ( -0.537 0.224 -0.787) 0.979 ======================= Grid point 353 (109/125) ======================= q-point: ( 0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -3.144 3.100 -0.572) 4.452 1.321 ( -6.819 2.706 -1.065) 7.413 1.704 ( -6.827 -4.955 6.013) 10.359 1.714 ( 4.702 -7.247 10.480) 13.582 1.819 ( -3.309 -6.378 -4.646) 8.556 1.896 ( -0.888 -4.596 -5.832) 7.478 2.167 ( -4.943 1.321 2.905) 5.884 2.190 ( 2.599 3.177 0.194) 4.110 2.298 ( 1.842 3.976 -4.034) 5.956 2.329 ( 2.523 6.075 -5.256) 8.420 2.372 ( 3.284 9.654 1.978) 10.387 2.428 ( 7.276 8.247 -2.646) 11.312 2.708 ( -0.726 -1.607 3.203) 3.656 2.761 ( 0.080 0.860 -2.530) 2.673 3.571 ( -3.306 -2.940 0.887) 4.512 3.575 ( -2.602 -3.202 0.591) 4.168 3.818 ( 3.156 -6.922 3.627) 8.428 3.851 ( 2.383 -5.689 0.133) 6.169 14.396 ( 0.264 -0.995 3.390) 3.543 14.459 ( 0.838 0.846 -3.132) 3.351 14.869 ( 0.758 -5.439 4.106) 6.857 14.914 ( 0.810 -3.914 -0.497) 4.028 17.508 ( -2.083 -0.602 7.545) 7.851 17.664 ( -0.817 4.204 -8.682) 9.681 23.137 ( -1.503 -17.485 2.450) 17.720 23.149 ( -1.631 -19.403 1.055) 19.500 23.525 ( 1.324 -2.013 18.569) 18.725 23.847 ( 1.392 -0.371 -14.686) 14.757 24.067 ( -2.888 -1.430 4.024) 5.155 24.154 ( -3.036 -1.676 -4.942) 6.037 24.286 ( 4.495 2.516 2.351) 5.663 24.313 ( 5.597 2.570 -0.469) 6.177 24.537 ( 3.537 -1.639 7.180) 8.170 24.611 ( 7.758 0.416 -0.114) 7.770 24.721 ( 0.392 3.248 -0.844) 3.379 24.737 ( -3.148 3.806 -2.900) 5.728 24.934 ( 0.459 0.286 1.778) 1.859 24.944 ( 0.402 0.835 -0.212) 0.950 25.176 ( -6.668 -1.052 13.765) 15.331 25.460 ( -5.486 2.759 -13.997) 15.284 25.702 ( 1.030 10.254 0.111) 10.306 25.782 ( 1.474 9.653 -7.423) 12.265 26.222 ( -0.008 0.005 0.794) 0.794 26.240 ( -0.658 0.439 -0.954) 1.239 26.398 ( -0.273 0.863 -0.167) 0.920 26.413 ( 0.245 1.901 -1.980) 2.756 43.583 ( 0.143 13.857 0.952) 13.890 43.672 ( -0.291 16.788 -8.226) 18.698 50.256 ( 2.951 2.189 1.142) 3.848 50.293 ( 6.006 3.057 -2.723) 7.269 51.087 ( -0.023 7.336 3.035) 7.939 51.186 ( -0.140 10.102 -7.171) 12.390 59.368 ( -1.016 -0.252 1.009) 1.453 59.386 ( -0.342 0.216 -0.860) 0.950 ======================= Grid point 354 (110/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -2.525 -0.187 0.206) 2.540 1.287 ( 1.802 -1.568 -3.740) 4.438 1.761 ( -7.418 -6.329 6.350) 11.637 1.863 ( -2.548 -5.069 -1.833) 5.962 1.920 ( 1.044 -7.316 4.191) 8.496 1.959 ( -0.339 1.553 5.483) 5.708 2.124 ( -1.206 -0.245 -0.859) 1.501 2.151 ( -1.204 -0.116 -3.296) 3.511 2.206 ( -0.290 4.343 -5.305) 6.862 2.211 ( -0.173 5.017 -5.072) 7.136 2.238 ( 2.598 7.043 4.814) 8.918 2.367 ( 7.581 6.927 -6.880) 12.361 2.745 ( 2.535 -1.581 1.576) 3.377 2.769 ( 2.970 -0.277 -0.933) 3.125 3.574 ( -6.433 -1.570 1.599) 6.813 3.584 ( -5.775 -1.192 0.664) 5.934 3.939 ( 4.208 -2.306 2.296) 5.320 3.939 ( 3.340 -1.022 2.176) 4.116 14.415 ( -0.159 -0.916 1.581) 1.834 14.444 ( 0.442 1.249 -1.413) 1.937 14.950 ( 0.177 -2.304 2.644) 3.512 14.965 ( 0.285 -0.810 0.975) 1.300 17.524 ( -1.219 -2.592 2.811) 4.013 17.594 ( 0.148 2.733 -4.347) 5.136 23.389 ( -1.372 -10.201 9.919) 14.294 23.483 ( 0.410 -11.773 3.618) 12.323 23.555 ( -0.361 -3.322 10.542) 11.059 23.778 ( 0.345 8.675 -8.455) 12.119 24.060 ( -4.412 -1.307 1.457) 4.827 24.118 ( -5.189 1.556 -4.725) 7.189 24.275 ( 6.067 2.991 3.279) 7.517 24.322 ( 7.504 1.907 -1.982) 7.992 24.546 ( -5.196 0.310 4.518) 6.892 24.622 ( -2.916 3.434 -3.302) 5.586 24.675 ( 3.676 -0.336 0.751) 3.767 24.712 ( 4.655 -0.076 -2.630) 5.347 24.931 ( 0.444 0.416 0.106) 0.617 24.937 ( 0.826 0.616 -0.577) 1.181 25.243 ( -3.359 -9.601 9.605) 13.990 25.451 ( -1.079 -2.978 -9.430) 9.948 25.503 ( 0.391 9.231 -0.617) 9.260 25.605 ( 0.405 8.652 -8.648) 12.239 26.226 ( 0.237 -0.053 0.260) 0.356 26.233 ( 0.649 -0.104 -0.441) 0.791 26.384 ( -0.486 0.283 -0.411) 0.697 26.387 ( -0.400 0.530 -0.736) 0.992 43.404 ( 0.136 4.292 -4.432) 6.171 43.432 ( -0.147 7.489 -7.286) 10.449 50.225 ( 0.002 2.170 1.422) 2.594 50.268 ( 2.702 3.036 -3.027) 5.067 50.995 ( 0.029 1.735 -1.888) 2.564 51.030 ( -0.080 5.462 -5.480) 7.738 59.371 ( -0.419 -0.594 0.593) 0.938 59.382 ( 0.002 0.074 -0.561) 0.566 ======================= Grid point 355 (111/125) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 2.164 -5.043 3.200) 6.353 1.397 ( 5.592 -6.187 -6.303) 10.454 1.792 ( -1.923 7.591 9.140) 12.035 1.838 ( -5.886 -3.550 7.016) 9.821 1.912 ( -0.964 -1.517 -3.410) 3.855 1.978 ( -0.214 5.969 -2.486) 6.470 2.092 ( -3.801 6.150 5.212) 8.912 2.149 ( 1.431 -5.752 0.294) 5.934 2.204 ( -0.739 -5.744 -0.744) 5.839 2.219 ( 1.032 -3.960 -3.359) 5.294 2.232 ( 0.541 -4.731 -4.915) 6.843 2.261 ( 2.834 7.855 -9.151) 12.388 2.796 ( 3.757 -0.855 0.766) 3.928 2.801 ( 4.364 0.375 0.348) 4.393 3.530 ( -6.661 1.422 1.670) 7.013 3.537 ( -6.193 0.627 0.922) 6.292 3.942 ( 2.951 3.118 3.109) 5.300 3.965 ( 3.103 2.467 0.832) 4.050 14.419 ( 0.070 1.484 0.567) 1.590 14.429 ( -0.356 -0.710 -0.427) 0.902 14.943 ( -0.197 3.114 2.541) 4.023 14.956 ( -0.202 1.638 1.098) 1.983 17.562 ( 0.787 0.830 0.786) 1.388 17.590 ( -0.014 -4.360 -2.190) 4.879 23.437 ( 1.185 9.360 8.785) 12.892 23.487 ( 0.566 1.936 13.221) 13.374 23.547 ( -0.703 12.301 1.883) 12.464 23.762 ( -0.483 -8.976 -9.122) 12.807 24.042 ( -5.198 -0.481 0.157) 5.222 24.080 ( -4.278 -3.914 -2.382) 6.269 24.254 ( 4.740 4.161 4.350) 7.662 24.328 ( 5.842 3.733 -2.935) 7.528 24.482 ( -5.348 2.058 1.239) 5.863 24.506 ( -5.356 3.875 -1.183) 6.716 24.734 ( 3.143 -1.941 0.091) 3.695 24.758 ( 2.721 -1.533 -2.367) 3.919 24.928 ( 0.217 0.132 0.219) 0.336 24.938 ( 0.663 -0.369 -0.830) 1.125 25.335 ( 1.855 5.716 6.057) 8.532 25.443 ( -1.066 -11.350 5.134) 12.503 25.511 ( 0.477 -0.071 -10.246) 10.257 25.588 ( -0.565 -8.568 -8.435) 12.036 26.230 ( 0.643 -0.167 0.963) 1.170 26.249 ( 1.143 -0.512 -0.939) 1.565 26.380 ( -0.636 -0.486 -0.023) 0.801 26.388 ( -0.307 -0.744 -0.899) 1.207 43.400 ( -0.108 -4.286 -3.991) 5.857 43.437 ( 0.117 -7.559 -7.808) 10.868 50.180 ( -2.012 1.508 1.491) 2.923 50.225 ( -0.014 2.392 -3.112) 3.925 50.994 ( -0.022 -1.820 -1.760) 2.532 51.033 ( 0.062 -5.551 -5.714) 7.967 59.382 ( 0.004 -0.682 0.061) 0.684 59.384 ( 0.306 -0.188 -0.184) 0.404 ======================= Grid point 356 (112/125) ======================= q-point: (-0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 2.363 -4.641 4.650) 6.982 1.512 ( 2.038 4.627 -0.926) 5.140 1.654 ( 2.409 -1.736 6.831) 7.449 1.812 ( 0.556 7.222 -5.727) 9.234 1.855 ( -0.378 6.843 10.068) 12.179 1.920 ( -2.106 -3.684 5.107) 6.640 2.022 ( -5.998 -3.912 -5.199) 8.849 2.106 ( 0.819 7.983 -11.074) 13.676 2.295 ( 1.451 -6.535 0.149) 6.695 2.325 ( 1.477 -6.800 -1.399) 7.098 2.354 ( -1.710 -7.250 -2.274) 7.788 2.358 ( 0.337 -9.765 -1.891) 9.952 2.808 ( 2.860 1.999 1.920) 3.982 2.826 ( 2.204 0.214 -0.050) 2.215 3.425 ( -4.711 4.704 3.270) 7.418 3.464 ( -3.678 3.085 -0.838) 4.873 3.875 ( 1.799 5.500 2.319) 6.234 3.899 ( 1.587 6.060 0.035) 6.264 14.389 ( -0.117 1.630 2.586) 3.059 14.437 ( -0.328 -0.394 -2.401) 2.455 14.850 ( -0.272 6.010 4.062) 7.259 14.893 ( -0.289 4.482 -0.409) 4.510 17.560 ( 0.719 0.162 6.127) 6.171 17.685 ( 0.294 -5.085 -6.980) 8.641 23.167 ( 0.424 19.429 2.981) 19.661 23.204 ( 0.869 17.968 -0.366) 17.993 23.484 ( -0.725 2.355 18.245) 18.411 23.803 ( -0.853 2.233 -15.086) 15.274 24.092 ( -1.752 -5.677 4.295) 7.331 24.154 ( -0.973 -3.316 -1.001) 3.598 24.176 ( -1.118 3.170 2.262) 4.052 24.241 ( 1.250 8.117 -3.624) 8.977 24.391 ( -2.213 1.984 3.647) 4.705 24.447 ( -1.967 0.508 -2.108) 2.927 24.780 ( 1.082 -1.475 1.149) 2.160 24.811 ( 0.879 -2.203 -2.057) 3.139 24.936 ( 0.199 -0.966 1.449) 1.752 24.957 ( 0.502 -0.920 -0.684) 1.252 25.334 ( 2.131 -3.903 12.609) 13.370 25.594 ( 2.325 -8.452 -12.531) 15.293 25.658 ( -1.355 -10.007 2.574) 10.421 25.744 ( -0.616 -7.714 -5.344) 9.405 26.240 ( 0.511 -0.357 1.085) 1.252 26.264 ( 0.642 -0.244 -1.288) 1.459 26.395 ( -0.269 -1.448 0.122) 1.478 26.408 ( -0.067 -1.311 -1.176) 1.762 43.580 ( -0.049 -13.939 1.401) 14.009 43.680 ( 0.104 -17.067 -8.926) 19.261 50.143 ( -2.085 0.546 1.254) 2.494 50.183 ( -1.029 1.421 -2.818) 3.319 51.088 ( 0.008 -7.407 3.051) 8.011 51.190 ( 0.049 -10.127 -7.460) 12.578 59.393 ( 0.332 -0.437 -0.021) 0.550 59.395 ( 0.129 -0.556 -0.202) 0.605 ======================= Grid point 357 (113/125) ======================= q-point: (-0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.000 9.260 8.660) 12.679 1.444 ( -0.000 4.657 -2.207) 5.153 1.680 ( -0.000 8.268 14.734) 16.896 1.754 ( 0.000 -2.726 3.213) 4.213 1.812 ( 0.000 -6.358 -1.896) 6.634 1.947 ( -0.000 6.541 -12.834) 14.405 2.001 ( 0.000 -3.903 3.904) 5.521 2.091 ( 0.000 -3.569 -5.164) 6.278 2.426 ( 0.000 -5.746 0.914) 5.818 2.485 ( 0.000 -8.258 -4.795) 9.549 2.493 ( 0.000 -9.419 3.136) 9.927 2.557 ( 0.000 -10.751 -3.405) 11.277 2.769 ( -0.000 3.151 3.641) 4.815 2.822 ( -0.000 1.012 -1.615) 1.905 3.288 ( -0.000 7.565 4.974) 9.054 3.365 ( -0.000 5.701 -3.161) 6.518 3.769 ( -0.000 6.808 0.458) 6.823 3.774 ( -0.000 6.413 -0.087) 6.414 14.357 ( -0.000 1.533 4.333) 4.596 14.438 ( -0.000 0.112 -4.062) 4.063 14.727 ( -0.000 6.285 5.498) 8.350 14.797 ( -0.000 4.954 -1.844) 5.286 17.561 ( -0.000 0.098 11.137) 11.138 17.777 ( 0.000 -4.161 -11.347) 12.086 22.789 ( -0.000 18.871 2.427) 19.027 22.842 ( -0.000 19.390 -2.758) 19.585 23.430 ( -0.000 2.604 17.695) 17.886 23.743 ( -0.000 2.928 -14.901) 15.185 24.035 ( -0.000 6.880 3.094) 7.544 24.093 ( -0.000 6.649 -2.804) 7.217 24.166 ( 0.000 -1.857 5.362) 5.675 24.256 ( 0.000 -3.492 -4.042) 5.342 24.378 ( 0.000 -1.623 4.421) 4.709 24.451 ( 0.000 -1.638 -3.088) 3.495 24.817 ( 0.000 -1.962 1.841) 2.691 24.849 ( 0.000 -1.479 -1.251) 1.937 24.962 ( 0.000 -1.390 1.528) 2.065 24.977 ( 0.000 -0.904 0.209) 0.928 25.480 ( 0.000 -9.178 18.051) 20.250 25.803 ( 0.000 -11.029 -14.535) 18.246 25.806 ( 0.000 -6.111 2.625) 6.651 25.862 ( 0.000 -4.923 -3.006) 5.768 26.251 ( 0.000 -0.488 0.244) 0.546 26.268 ( 0.000 -0.023 -1.554) 1.554 26.427 ( 0.000 -1.764 -0.447) 1.819 26.432 ( 0.000 -1.221 -0.973) 1.561 43.890 ( 0.000 -17.308 7.602) 18.904 44.047 ( 0.000 -20.052 -8.597) 21.817 50.132 ( 0.000 -0.244 0.729) 0.769 50.160 ( -0.000 0.488 -2.150) 2.204 51.247 ( 0.000 -8.415 7.365) 11.183 51.385 ( 0.000 -9.433 -6.945) 11.713 59.404 ( 0.000 -0.435 -0.050) 0.438 59.405 ( 0.000 -0.429 -0.156) 0.457 ======================= Grid point 360 (114/125) ======================= q-point: ( 0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 8.121 0.000 6.964) 10.698 1.361 ( 1.695 0.000 3.324) 3.731 1.456 ( 1.010 0.000 7.942) 8.006 1.699 ( -4.347 -0.000 -9.873) 10.787 1.749 ( -6.206 -0.000 1.593) 6.407 1.835 ( -8.575 -0.000 -4.497) 9.683 2.221 ( 7.199 0.000 5.381) 8.988 2.293 ( 8.087 0.000 0.493) 8.102 2.437 ( -10.205 -0.000 6.575) 12.139 2.540 ( -1.681 -0.000 2.020) 2.628 2.578 ( -6.092 -0.000 -3.620) 7.086 2.672 ( -1.310 -0.000 -4.864) 5.037 3.052 ( 8.321 0.000 2.001) 8.558 3.085 ( 6.644 0.000 2.564) 7.122 3.100 ( 6.382 0.000 3.016) 7.058 3.235 ( 3.816 0.000 -7.461) 8.380 3.488 ( -5.259 -0.000 1.774) 5.550 3.541 ( -6.048 -0.000 -3.514) 6.995 14.355 ( 1.677 0.000 5.619) 5.863 14.459 ( 1.742 0.000 -5.206) 5.489 14.605 ( 0.848 0.000 7.489) 7.536 14.715 ( 1.411 0.000 -3.799) 4.053 17.534 ( -1.242 -0.000 16.191) 16.238 17.843 ( -0.921 -0.000 -15.936) 15.962 22.374 ( -0.442 -0.000 -0.100) 0.453 22.380 ( -0.299 -0.000 -0.610) 0.680 23.416 ( 2.191 0.000 17.569) 17.705 23.729 ( 2.788 0.000 -14.686) 14.948 23.936 ( 2.770 0.000 4.666) 5.426 24.015 ( 2.579 0.000 -3.725) 4.530 24.264 ( 1.112 0.000 2.848) 3.057 24.292 ( -1.374 -0.000 -0.681) 1.534 24.575 ( 5.843 0.000 5.334) 7.911 24.639 ( 10.581 0.000 -0.287) 10.585 24.876 ( 0.594 0.000 1.315) 1.443 24.882 ( 1.881 0.000 0.275) 1.901 24.953 ( -2.373 -0.000 1.631) 2.880 24.973 ( -0.834 -0.000 -0.324) 0.894 25.443 ( -14.620 -0.000 22.676) 26.981 25.821 ( -14.029 -0.000 -15.055) 20.578 25.983 ( 2.801 0.000 0.568) 2.858 26.055 ( 4.326 0.000 -5.299) 6.841 26.232 ( -1.186 -0.000 0.321) 1.228 26.253 ( -1.217 -0.000 -1.732) 2.117 26.452 ( -0.044 -0.000 -0.037) 0.058 26.506 ( 4.827 0.000 -7.315) 8.764 44.298 ( -0.348 -0.000 14.001) 14.005 44.498 ( -1.455 -0.000 -6.422) 6.585 50.298 ( 7.675 0.000 1.660) 7.853 50.345 ( 10.821 0.000 -3.333) 11.323 51.431 ( -0.063 -0.000 11.070) 11.070 51.577 ( 0.235 0.000 -4.049) 4.056 59.381 ( -1.924 -0.000 1.028) 2.181 59.399 ( -0.644 -0.000 -0.702) 0.953 ======================= Grid point 361 (115/125) ======================= q-point: ( 0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 2.157 -0.058 6.941) 7.269 1.395 ( 1.768 -1.022 2.434) 3.177 1.495 ( 2.223 -2.449 7.071) 7.806 1.696 ( -1.774 -0.676 0.190) 1.908 1.702 ( -6.835 -1.678 -8.673) 11.169 1.740 ( -6.785 1.565 -4.159) 8.111 2.258 ( 2.391 1.860 6.533) 7.201 2.314 ( -3.475 3.121 7.067) 8.471 2.368 ( 7.501 -0.279 -3.022) 8.092 2.464 ( -5.232 3.411 -8.095) 10.225 2.598 ( -0.366 -2.948 4.572) 5.452 2.661 ( -1.206 1.354 -1.210) 2.180 2.862 ( 4.528 12.840 4.099) 14.218 2.959 ( 4.295 11.414 -5.398) 13.337 3.369 ( 6.727 -11.288 3.719) 13.657 3.412 ( 2.859 -6.194 -0.728) 6.861 3.511 ( -5.517 -5.633 -1.038) 7.952 3.528 ( -3.976 -6.419 -2.240) 7.876 14.370 ( 1.315 -0.285 5.607) 5.766 14.474 ( 1.456 -0.060 -5.279) 5.476 14.653 ( 1.078 -4.091 7.119) 8.282 14.754 ( 1.381 -2.883 -3.342) 4.625 17.518 ( -1.478 0.548 15.171) 15.253 17.811 ( -0.985 2.554 -15.198) 15.442 22.480 ( -0.483 -11.119 0.426) 11.137 22.496 ( -0.776 -11.863 -1.133) 11.943 23.446 ( 2.141 -1.304 18.164) 18.336 23.767 ( 2.996 -1.586 -14.742) 15.127 23.980 ( 1.830 -2.142 4.071) 4.951 24.054 ( 2.036 -2.024 -3.432) 4.474 24.277 ( -1.802 -1.489 1.134) 2.598 24.292 ( -0.862 -1.332 -0.449) 1.649 24.602 ( 6.507 2.166 8.694) 11.074 24.698 ( 10.533 2.177 0.167) 10.757 24.856 ( 1.272 2.790 1.277) 3.321 24.869 ( 0.474 2.717 -0.612) 2.825 24.945 ( -0.515 -0.396 2.016) 2.118 24.968 ( 0.471 0.237 -0.427) 0.678 25.291 ( -13.466 3.738 21.302) 25.477 25.660 ( -13.773 4.629 -15.881) 21.524 25.970 ( 2.208 3.536 0.779) 4.241 26.052 ( 3.591 3.597 -6.381) 8.158 26.223 ( -0.946 -0.004 0.620) 1.131 26.244 ( -1.523 -0.165 -1.525) 2.162 26.443 ( 0.494 1.079 0.685) 1.370 26.520 ( 4.638 2.689 -9.084) 10.548 44.178 ( -0.216 11.712 11.859) 16.669 44.355 ( -1.132 13.142 -6.198) 14.574 50.342 ( 7.087 1.583 2.631) 7.724 50.408 ( 10.181 2.100 -4.358) 11.272 51.379 ( -0.066 5.201 10.329) 11.565 51.528 ( 0.099 5.288 -5.068) 7.325 59.365 ( -1.828 0.046 1.585) 2.420 59.393 ( -0.635 0.097 -1.136) 1.305 ======================= Grid point 362 (116/125) ======================= q-point: ( 0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -3.945 1.730 3.415) 5.497 1.352 ( -2.702 3.639 -1.554) 4.791 1.572 ( -4.703 -3.560 5.805) 8.276 1.668 ( 2.979 -2.189 5.439) 6.576 1.696 ( -3.916 -3.197 -4.391) 6.696 1.803 ( 2.194 -5.172 -5.834) 8.099 2.156 ( -7.821 2.716 7.105) 10.910 2.273 ( 0.515 3.836 -2.279) 4.492 2.374 ( 2.173 2.088 -2.117) 3.683 2.443 ( 6.372 2.186 -5.570) 8.741 2.571 ( 0.792 7.603 2.866) 8.163 2.614 ( 1.506 4.039 -1.317) 4.507 2.703 ( 3.703 3.855 6.370) 8.316 2.815 ( 1.895 5.328 -5.167) 7.660 3.473 ( -5.321 -3.399 0.097) 6.315 3.477 ( -5.609 -2.956 -0.393) 6.353 3.679 ( 4.390 -10.844 4.139) 12.409 3.731 ( 3.792 -9.598 -1.264) 10.397 14.385 ( 0.651 -0.527 5.115) 5.183 14.479 ( 0.959 0.509 -4.697) 4.821 14.763 ( 0.975 -6.060 5.638) 8.334 14.837 ( 1.034 -4.475 -2.031) 5.022 17.493 ( -1.744 0.586 12.340) 12.477 17.737 ( -0.977 4.092 -12.989) 13.653 22.764 ( -0.741 -18.311 1.043) 18.355 22.782 ( -1.360 -17.841 -0.630) 17.904 23.494 ( 1.575 -2.106 19.035) 19.215 23.829 ( 2.479 -2.299 -15.154) 15.527 24.023 ( -0.856 -1.562 3.622) 4.036 24.106 ( -0.013 -1.953 -4.390) 4.805 24.298 ( -1.048 -2.223 1.903) 3.108 24.332 ( 1.052 -2.327 -1.167) 2.808 24.592 ( 3.715 3.067 10.543) 11.592 24.724 ( 9.107 3.038 -0.497) 9.613 24.793 ( -0.684 4.099 -0.319) 4.168 24.807 ( 2.420 3.993 -0.040) 4.669 24.946 ( 0.568 0.437 3.271) 3.349 24.967 ( 1.801 0.906 0.349) 2.046 25.135 ( -9.293 2.471 16.803) 19.360 25.475 ( -9.620 4.332 -16.010) 19.174 25.879 ( 1.153 7.324 0.186) 7.416 25.969 ( 2.673 7.732 -8.178) 11.568 26.220 ( -0.371 -0.218 0.552) 0.700 26.235 ( -1.467 -0.115 -0.954) 1.753 26.420 ( 0.206 1.545 0.532) 1.647 26.477 ( 2.158 4.088 -6.529) 8.000 43.890 ( 0.014 16.944 6.815) 18.263 44.026 ( -0.539 19.225 -7.032) 20.478 50.342 ( 4.769 3.246 3.140) 6.569 50.417 ( 7.461 4.047 -4.786) 9.745 51.244 ( -0.055 8.368 7.556) 11.275 51.382 ( -0.084 9.657 -6.629) 11.714 59.354 ( -1.334 -0.216 1.853) 2.293 59.386 ( -0.484 0.114 -1.378) 1.465 ======================= Grid point 363 (117/125) ======================= q-point: ( 0.56 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -3.972 1.717 1.303) 4.520 1.283 ( -0.927 1.026 -3.697) 3.947 1.602 ( -5.216 -4.825 6.201) 9.431 1.729 ( -4.945 -4.749 -6.558) 9.487 1.814 ( 6.002 -6.059 7.553) 11.393 1.918 ( 2.025 -4.579 -1.285) 5.169 2.076 ( -6.126 -0.334 5.992) 8.576 2.202 ( -0.499 2.738 -6.750) 7.301 2.298 ( -0.499 7.451 -1.845) 7.693 2.357 ( 0.777 8.082 -5.655) 9.895 2.431 ( 3.776 8.450 6.267) 11.178 2.543 ( 4.980 5.645 -5.090) 9.086 2.735 ( 4.149 -1.833 3.097) 5.492 2.784 ( 2.408 0.076 -2.136) 3.219 3.475 ( -7.002 -2.871 1.624) 7.740 3.497 ( -5.658 -2.871 -0.504) 6.365 3.885 ( 3.975 -6.838 3.185) 8.527 3.905 ( 3.340 -5.433 1.004) 6.456 14.399 ( 0.151 -0.675 3.812) 3.874 14.470 ( 0.513 1.049 -3.485) 3.675 14.879 ( 0.485 -5.106 4.124) 6.582 14.924 ( 0.520 -3.610 -0.551) 3.689 17.480 ( -1.360 -0.809 8.310) 8.459 17.654 ( -0.528 3.747 -9.609) 10.328 23.112 ( -1.341 -16.886 3.201) 17.239 23.133 ( -0.574 -20.030 0.544) 20.046 23.541 ( 0.679 -1.538 18.994) 19.068 23.865 ( 0.889 0.829 -14.428) 14.479 24.025 ( -2.195 -0.153 3.571) 4.194 24.111 ( -2.185 0.604 -5.222) 5.693 24.339 ( 2.419 -1.167 3.049) 4.063 24.383 ( 3.121 -1.102 -1.455) 3.615 24.540 ( -1.709 3.054 9.341) 9.975 24.686 ( -1.221 4.743 -6.156) 7.866 24.733 ( 5.203 3.200 3.265) 6.927 24.770 ( 4.223 2.376 -0.565) 4.878 24.945 ( 1.015 0.347 1.880) 2.164 24.963 ( 1.953 0.980 0.013) 2.185 25.079 ( -5.668 -3.489 14.234) 15.713 25.382 ( -4.210 -0.699 -15.168) 15.757 25.714 ( 0.505 10.414 -0.390) 10.433 25.803 ( 1.166 10.771 -8.931) 14.040 26.225 ( 0.017 -0.292 0.182) 0.344 26.230 ( -0.344 -0.404 -0.353) 0.637 26.393 ( -0.294 1.107 -0.115) 1.151 26.417 ( 0.263 2.861 -2.980) 4.139 43.585 ( 0.094 13.818 0.714) 13.836 43.668 ( -0.188 16.644 -7.860) 18.407 50.296 ( 1.923 4.116 3.257) 5.590 50.373 ( 3.924 4.977 -4.845) 7.977 51.087 ( -0.016 7.299 3.026) 7.902 51.185 ( -0.092 10.087 -7.018) 12.289 59.354 ( -0.672 -0.629 1.574) 1.823 59.382 ( -0.224 0.025 -1.223) 1.244 ======================= Grid point 364 (118/125) ======================= q-point: (-0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.441 -2.958 3.007) 4.241 1.318 ( 1.604 -4.347 -6.147) 7.698 1.672 ( -3.365 -5.965 6.016) 9.116 1.793 ( -3.500 -5.461 -6.425) 9.131 1.952 ( -0.019 3.631 7.559) 8.386 1.970 ( 2.806 -4.944 5.003) 7.573 2.082 ( -2.734 -4.044 4.017) 6.322 2.162 ( 1.309 0.683 -5.600) 5.791 2.195 ( -0.922 0.993 -6.954) 7.085 2.201 ( -0.494 6.492 -7.505) 9.936 2.279 ( 1.594 10.045 8.743) 13.412 2.441 ( 2.151 7.927 -7.893) 11.391 2.801 ( 3.148 -1.558 1.552) 3.840 2.822 ( 2.682 -1.120 -0.616) 2.971 3.478 ( -4.334 -1.937 1.990) 5.148 3.496 ( -3.982 -0.870 0.255) 4.084 3.984 ( 1.770 -0.784 2.603) 3.244 3.992 ( 2.017 -1.917 1.891) 3.365 14.413 ( -0.069 -0.711 1.940) 2.068 14.449 ( 0.167 1.415 -1.748) 2.255 14.951 ( 0.060 -1.984 2.715) 3.363 14.969 ( 0.112 -0.559 0.895) 1.061 17.511 ( -0.485 -3.122 3.555) 4.756 17.595 ( 0.058 2.093 -5.146) 5.555 23.374 ( -0.518 -10.656 10.443) 14.929 23.490 ( 0.376 -16.339 -1.090) 16.379 23.548 ( -0.381 0.939 14.985) 15.019 23.781 ( 0.108 8.669 -8.319) 12.016 24.009 ( -1.865 -0.260 0.544) 1.960 24.057 ( -2.227 2.758 -4.638) 5.838 24.368 ( 5.794 2.051 4.619) 7.688 24.415 ( 3.646 1.019 0.134) 3.788 24.463 ( -5.174 1.277 4.178) 6.772 24.568 ( -2.792 5.985 -5.854) 8.825 24.728 ( 2.011 -0.059 1.149) 2.317 24.768 ( 2.034 0.559 -2.621) 3.364 24.940 ( 0.527 0.716 0.089) 0.893 24.950 ( 0.641 1.165 -0.938) 1.627 25.202 ( -1.653 -11.297 11.317) 16.076 25.435 ( -0.703 -6.255 -12.227) 13.752 25.509 ( 0.212 10.589 0.568) 10.606 25.609 ( 0.166 8.913 -8.958) 12.638 26.230 ( 0.180 -0.298 0.833) 0.903 26.245 ( 0.584 -0.716 -0.704) 1.162 26.377 ( -0.331 0.388 -0.599) 0.787 26.380 ( -0.327 0.713 -0.997) 1.269 43.406 ( 0.051 4.308 -4.575) 6.284 43.430 ( -0.056 7.451 -7.115) 10.303 50.225 ( -0.001 3.754 2.997) 4.803 50.298 ( 1.066 4.619 -4.602) 6.607 50.995 ( 0.011 1.706 -1.930) 2.576 51.029 ( -0.031 5.430 -5.400) 7.658 59.366 ( -0.166 -0.869 0.869) 1.240 59.382 ( 0.002 -0.141 -0.776) 0.788 ======================= Grid point 365 (119/125) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 -6.334 4.831) 7.966 1.448 ( 0.000 -7.546 -7.736) 10.807 1.777 ( 0.000 -6.330 5.487) 8.377 1.785 ( -0.000 10.412 10.939) 15.102 1.888 ( 0.000 -5.796 -5.902) 8.272 1.968 ( -0.000 7.385 -5.808) 9.395 2.078 ( -0.000 10.790 10.955) 15.377 2.167 ( 0.000 -5.404 -0.522) 5.429 2.191 ( 0.000 -7.259 0.992) 7.327 2.228 ( 0.000 -5.299 -4.727) 7.100 2.236 ( 0.000 -3.769 -3.853) 5.390 2.284 ( -0.000 8.862 -10.169) 13.489 2.833 ( 0.000 -0.500 1.193) 1.294 2.843 ( -0.000 0.264 0.255) 0.367 3.469 ( -0.000 1.736 1.936) 2.600 3.480 ( -0.000 0.334 0.669) 0.748 3.967 ( -0.000 3.113 3.105) 4.397 3.991 ( -0.000 2.666 0.741) 2.767 14.420 ( -0.000 1.518 0.395) 1.569 14.426 ( 0.000 -0.533 -0.254) 0.591 14.941 ( -0.000 3.237 2.543) 4.116 14.955 ( -0.000 1.816 1.098) 2.122 17.568 ( -0.000 0.195 0.498) 0.535 17.590 ( 0.000 -4.356 -1.882) 4.745 23.446 ( -0.000 9.326 8.674) 12.736 23.493 ( 0.000 -2.064 16.995) 17.120 23.540 ( -0.000 16.144 -1.714) 16.234 23.758 ( 0.000 -9.090 -9.316) 13.016 23.999 ( 0.000 -0.216 0.279) 0.352 24.045 ( 0.000 -3.921 -2.941) 4.902 24.303 ( -0.000 6.334 6.002) 8.726 24.407 ( -0.000 0.877 2.981) 3.107 24.414 ( -0.000 8.194 -5.723) 9.995 24.446 ( -0.000 0.176 -1.112) 1.126 24.759 ( 0.000 -1.712 -0.132) 1.718 24.780 ( 0.000 -1.013 -2.356) 2.565 24.930 ( -0.000 0.279 0.326) 0.429 24.945 ( 0.000 -0.388 -1.191) 1.253 25.349 ( -0.000 5.051 5.490) 7.460 25.433 ( 0.000 -12.605 6.639) 14.247 25.514 ( -0.000 0.197 -10.711) 10.713 25.583 ( 0.000 -8.654 -8.521) 12.145 26.237 ( 0.000 -0.276 1.303) 1.332 26.260 ( 0.000 -0.505 -1.041) 1.157 26.373 ( 0.000 -0.514 0.045) 0.516 26.385 ( 0.000 -0.892 -1.105) 1.420 43.399 ( 0.000 -4.288 -3.907) 5.801 43.438 ( 0.000 -7.570 -7.907) 10.947 50.164 ( -0.000 2.345 2.323) 3.301 50.225 ( -0.000 3.235 -3.949) 5.105 50.994 ( 0.000 -1.836 -1.735) 2.526 51.033 ( 0.000 -5.567 -5.757) 8.009 59.382 ( 0.000 -0.800 0.174) 0.819 59.387 ( 0.000 -0.323 -0.324) 0.458 ======================= Grid point 370 (120/125) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.129 0.000 10.635) 10.636 1.409 ( 7.560 0.000 3.540) 8.347 1.509 ( 3.167 0.000 -0.850) 3.279 1.632 ( -4.723 -0.000 -11.006) 11.977 1.669 ( -2.776 -0.000 1.714) 3.263 1.699 ( -7.514 -0.000 -1.618) 7.686 2.262 ( -8.618 -0.000 8.492) 12.099 2.348 ( 5.399 0.000 6.198) 8.220 2.402 ( 1.120 0.000 -2.865) 3.076 2.464 ( -0.301 -0.000 -5.737) 5.745 2.567 ( 1.132 0.000 3.893) 4.054 2.661 ( -0.311 -0.000 -3.223) 3.238 3.153 ( 3.218 0.000 6.634) 7.373 3.165 ( 6.027 0.000 2.515) 6.530 3.206 ( 6.005 0.000 -1.129) 6.110 3.286 ( 2.686 0.000 -6.990) 7.488 3.402 ( -5.425 -0.000 0.581) 5.456 3.441 ( -6.547 -0.000 -3.153) 7.267 14.379 ( 1.349 0.000 5.588) 5.748 14.484 ( 1.336 0.000 -5.356) 5.520 14.619 ( 0.896 0.000 8.055) 8.105 14.736 ( 1.287 0.000 -4.085) 4.283 17.516 ( -1.016 -0.000 16.372) 16.404 17.830 ( -0.694 -0.000 -16.260) 16.274 22.368 ( -0.353 -0.000 -0.055) 0.357 22.376 ( -0.246 -0.000 -0.783) 0.821 23.450 ( 2.019 0.000 18.315) 18.426 23.776 ( 3.093 0.000 -15.282) 15.592 23.978 ( 2.446 0.000 5.146) 5.698 24.052 ( 2.013 0.000 -2.810) 3.456 24.245 ( -2.761 -0.000 0.074) 2.762 24.258 ( -2.638 -0.000 -1.429) 3.001 24.665 ( 4.400 0.000 10.722) 11.590 24.785 ( 6.809 0.000 0.646) 6.840 24.904 ( 3.495 0.000 2.887) 4.533 24.919 ( -1.653 -0.000 2.716) 3.179 24.924 ( 1.896 0.000 -0.026) 1.896 24.984 ( 4.132 0.000 -1.753) 4.488 25.221 ( -13.193 -0.000 21.396) 25.136 25.593 ( -14.365 -0.000 -16.126) 21.596 26.022 ( 2.015 0.000 1.428) 2.470 26.111 ( 2.849 0.000 -5.763) 6.429 26.214 ( -1.153 -0.000 -0.019) 1.153 26.228 ( -1.826 -0.000 -1.390) 2.295 26.462 ( 1.183 0.000 1.751) 2.114 26.596 ( 6.172 0.000 -15.114) 16.326 44.293 ( -0.288 -0.000 13.502) 13.505 44.476 ( -1.213 -0.000 -5.108) 5.250 50.414 ( 6.753 0.000 4.020) 7.858 50.508 ( 9.464 0.000 -5.930) 11.169 51.430 ( -0.042 -0.000 11.349) 11.349 51.580 ( 0.203 0.000 -4.211) 4.216 59.352 ( -1.718 -0.000 2.157) 2.758 59.389 ( -0.591 -0.000 -1.533) 1.643 ======================= Grid point 371 (121/125) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 1.023 2.455 6.613) 7.128 1.419 ( 0.500 4.124 -1.769) 4.515 1.501 ( -4.059 -0.294 2.693) 4.880 1.611 ( -4.244 -1.434 -7.273) 8.542 1.664 ( 1.981 -1.674 3.860) 4.651 1.730 ( 2.392 -4.738 -2.666) 5.939 2.153 ( -8.214 3.345 9.900) 13.292 2.335 ( -3.094 3.343 -7.167) 8.492 2.407 ( 3.733 -0.659 3.121) 4.910 2.507 ( 6.260 -0.442 -3.830) 7.352 2.602 ( 0.474 -2.207 3.920) 4.524 2.650 ( -0.447 1.458 -0.201) 1.538 2.922 ( 3.237 12.802 4.386) 13.914 3.014 ( 2.698 12.470 -4.721) 13.604 3.379 ( -3.959 -2.249 -0.311) 4.564 3.395 ( -5.285 -1.040 -1.938) 5.725 3.472 ( 3.068 -13.701 4.449) 14.728 3.543 ( 2.795 -12.699 -2.895) 13.322 14.386 ( 0.795 0.044 5.715) 5.770 14.492 ( 0.838 0.120 -5.308) 5.376 14.668 ( 0.778 -4.184 7.284) 8.436 14.773 ( 0.920 -2.788 -3.500) 4.568 17.499 ( -0.927 0.908 15.434) 15.488 17.799 ( -0.582 2.721 -15.607) 15.853 22.473 ( -0.416 -10.931 0.365) 10.945 22.487 ( -0.375 -11.347 -1.047) 11.401 23.475 ( 1.453 -1.136 18.921) 19.010 23.812 ( 2.592 -1.410 -15.769) 16.043 24.000 ( 0.636 -0.594 4.869) 4.946 24.080 ( 1.173 -1.343 -3.038) 3.523 24.236 ( -2.654 -1.871 1.015) 3.402 24.274 ( -1.202 -3.002 -2.435) 4.048 24.668 ( 2.026 2.254 11.234) 11.635 24.810 ( 2.869 1.484 -2.181) 3.897 24.875 ( 1.446 2.973 4.342) 5.458 24.897 ( 2.965 2.734 1.801) 4.417 24.952 ( 1.149 -0.397 4.090) 4.267 25.017 ( 5.521 1.297 0.209) 5.675 25.108 ( -9.271 1.982 17.559) 19.955 25.463 ( -10.829 2.622 -16.426) 19.848 25.997 ( 1.153 3.951 1.263) 4.305 26.098 ( 2.310 3.547 -7.129) 8.290 26.209 ( -0.823 -0.329 -0.194) 0.908 26.217 ( -1.787 -0.274 -1.017) 2.074 26.456 ( 0.908 1.507 1.970) 2.642 26.592 ( 4.002 4.582 -14.872) 16.068 44.175 ( -0.132 11.564 11.470) 16.288 44.340 ( -0.710 12.811 -5.268) 13.870 50.436 ( 4.629 2.391 4.709) 7.023 50.543 ( 6.628 2.919 -6.573) 9.780 51.379 ( -0.038 5.214 10.512) 11.734 51.529 ( 0.062 5.441 -5.092) 7.452 59.341 ( -1.212 -0.108 2.521) 2.799 59.384 ( -0.428 0.059 -1.813) 1.863 ======================= Grid point 372 (122/125) ======================= q-point: ( 0.56 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -1.523 4.382 2.061) 5.077 1.323 ( -1.011 4.172 -3.494) 5.535 1.497 ( -3.073 -2.977 5.754) 7.171 1.627 ( -2.459 -2.948 -7.385) 8.323 1.765 ( 5.240 -4.365 5.932) 9.039 1.843 ( 1.885 -4.876 -1.530) 5.447 2.042 ( -5.582 2.050 10.293) 11.887 2.247 ( -1.730 3.245 -10.797) 11.406 2.418 ( 1.904 3.349 2.764) 4.742 2.506 ( 1.824 5.365 -5.398) 7.826 2.584 ( 0.620 5.194 3.924) 6.539 2.628 ( 0.394 0.740 -0.175) 0.857 2.774 ( 3.803 3.990 3.605) 6.586 2.844 ( 1.420 5.956 -3.579) 7.092 3.380 ( -4.312 -1.979 0.532) 4.774 3.404 ( -3.104 -3.023 -1.637) 4.632 3.736 ( 2.143 -11.177 3.998) 12.062 3.780 ( 1.857 -9.783 -0.606) 9.977 14.392 ( 0.243 -0.262 5.331) 5.343 14.490 ( 0.354 0.639 -4.814) 4.869 14.774 ( 0.392 -5.939 5.630) 8.193 14.849 ( 0.408 -4.314 -2.075) 4.805 17.474 ( -0.682 0.813 12.706) 12.750 17.727 ( -0.375 4.110 -13.490) 14.107 22.754 ( -0.423 -18.093 0.995) 18.126 22.769 ( -0.393 -17.500 -0.389) 17.509 23.512 ( 0.610 -1.793 19.574) 19.666 23.860 ( 1.266 -1.626 -16.381) 16.510 24.008 ( -0.712 -0.421 4.724) 4.795 24.104 ( -0.140 -0.496 -4.884) 4.911 24.283 ( -0.670 -4.066 2.938) 5.061 24.340 ( 0.137 -3.841 -2.584) 4.631 24.614 ( 0.187 4.135 10.693) 11.466 24.762 ( -0.524 3.868 -5.103) 6.425 24.847 ( 3.020 2.499 3.255) 5.095 24.856 ( 3.449 4.351 2.530) 6.101 24.956 ( 0.531 0.073 10.819) 10.832 24.995 ( -1.561 1.589 9.488) 9.746 25.038 ( -0.554 1.965 1.832) 2.743 25.357 ( -4.720 1.543 -16.940) 17.653 25.891 ( 0.397 7.621 0.417) 7.642 26.001 ( 1.235 8.216 -9.608) 12.702 26.214 ( -0.794 -0.504 -0.272) 0.979 26.215 ( -0.349 -0.741 -0.402) 0.912 26.424 ( 0.202 2.053 1.015) 2.299 26.505 ( 1.065 5.691 -8.875) 10.597 43.891 ( 0.007 16.843 6.586) 18.085 44.020 ( -0.209 19.000 -6.591) 20.112 50.395 ( 1.884 4.345 4.698) 6.671 50.501 ( 2.948 5.147 -6.386) 8.716 51.244 ( -0.021 8.358 7.608) 11.302 51.381 ( -0.035 9.722 -6.533) 11.713 59.339 ( -0.533 -0.437 2.437) 2.532 59.381 ( -0.194 0.037 -1.771) 1.782 ======================= Grid point 373 (123/125) ======================= q-point: ( 0.67 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.000 1.120 2.318) 2.574 1.277 ( 0.000 -0.087 -5.082) 5.082 1.559 ( 0.000 -4.591 6.067) 7.608 1.686 ( 0.000 -4.273 -7.012) 8.212 1.880 ( 0.000 -5.179 5.245) 7.371 1.936 ( 0.000 -3.892 0.919) 3.999 2.010 ( 0.000 -1.355 8.746) 8.850 2.195 ( -0.000 1.454 -10.444) 10.545 2.294 ( -0.000 8.916 -0.301) 8.921 2.362 ( -0.000 8.755 -5.922) 10.569 2.462 ( -0.000 8.129 6.871) 10.643 2.576 ( -0.000 4.987 -4.640) 6.812 2.783 ( 0.000 -1.432 1.553) 2.113 2.809 ( 0.000 -0.569 -1.192) 1.321 3.410 ( 0.000 -2.905 2.235) 3.665 3.446 ( 0.000 -2.557 -1.217) 2.832 3.917 ( 0.000 -6.777 3.007) 7.414 3.933 ( 0.000 -5.379 1.307) 5.535 14.401 ( 0.000 -0.551 3.977) 4.015 14.474 ( -0.000 1.123 -3.618) 3.788 14.883 ( 0.000 -4.970 4.131) 6.462 14.928 ( 0.000 -3.490 -0.574) 3.537 17.470 ( 0.000 -0.887 8.612) 8.657 17.649 ( -0.000 3.571 -9.978) 10.597 23.101 ( 0.000 -16.955 3.568) 17.327 23.129 ( 0.000 -20.010 0.249) 20.012 23.546 ( 0.000 -1.312 19.200) 19.244 23.872 ( -0.000 1.425 -14.511) 14.581 24.007 ( -0.000 0.256 3.580) 3.589 24.094 ( -0.000 1.481 -5.278) 5.482 24.359 ( 0.000 -3.509 3.053) 4.651 24.407 ( 0.000 -2.705 -1.778) 3.237 24.523 ( -0.000 5.221 9.761) 11.070 24.673 ( -0.000 5.289 -6.243) 8.182 24.779 ( -0.000 4.306 3.058) 5.281 24.808 ( -0.000 2.517 -0.025) 2.517 24.959 ( -0.000 1.000 0.988) 1.406 24.990 ( -0.000 2.471 -1.547) 2.916 25.020 ( 0.000 -6.254 17.781) 18.849 25.346 ( 0.000 -2.293 -15.777) 15.943 25.718 ( -0.000 10.476 -0.536) 10.490 25.813 ( -0.000 11.286 -9.674) 14.865 26.221 ( 0.000 -0.555 0.383) 0.674 26.231 ( 0.000 -0.916 -0.574) 1.081 26.390 ( -0.000 1.330 -0.051) 1.331 26.419 ( -0.000 3.360 -3.454) 4.819 43.586 ( -0.000 13.803 0.621) 13.817 43.667 ( -0.000 16.587 -7.716) 18.294 50.311 ( -0.000 4.878 4.095) 6.369 50.404 ( -0.000 5.737 -5.685) 8.077 51.087 ( -0.000 7.285 3.022) 7.887 51.184 ( -0.000 10.080 -6.958) 12.248 59.349 ( 0.000 -0.780 1.799) 1.961 59.380 ( 0.000 -0.052 -1.368) 1.369 ======================= Grid point 381 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 3.874 0.000 7.352) 8.310 1.477 ( -6.074 -0.000 1.364) 6.225 1.484 ( 1.978 0.000 -1.803) 2.676 1.572 ( -2.266 -0.000 -8.175) 8.483 1.661 ( 1.082 0.000 1.128) 1.563 1.671 ( 1.774 0.000 0.152) 1.781 2.138 ( -5.328 -0.000 11.055) 12.273 2.341 ( -3.247 -0.000 -9.777) 10.303 2.427 ( 3.151 0.000 6.299) 7.043 2.539 ( 4.276 0.000 -2.339) 4.875 2.578 ( -0.121 -0.000 4.045) 4.047 2.657 ( -0.213 -0.000 -1.619) 1.633 3.187 ( 1.226 0.000 6.552) 6.666 3.231 ( 2.330 0.000 2.889) 3.712 3.271 ( 2.223 0.000 -0.832) 2.373 3.317 ( 1.290 0.000 -6.582) 6.708 3.336 ( -2.560 -0.000 -0.773) 2.674 3.358 ( -3.587 -0.000 -2.956) 4.648 14.393 ( 0.502 0.000 5.562) 5.584 14.498 ( 0.470 0.000 -5.319) 5.339 14.630 ( 0.400 0.000 8.280) 8.290 14.751 ( 0.520 0.000 -4.244) 4.275 17.505 ( -0.381 -0.000 16.512) 16.516 17.823 ( -0.242 -0.000 -16.492) 16.494 22.364 ( -0.131 -0.000 -0.034) 0.135 22.373 ( -0.093 -0.000 -0.887) 0.892 23.473 ( 0.842 0.000 18.976) 18.995 23.815 ( 1.593 0.000 -16.430) 16.507 24.005 ( 0.884 0.000 5.769) 5.837 24.071 ( 0.482 0.000 -1.050) 1.155 24.205 ( -1.632 -0.000 -1.080) 1.957 24.225 ( -1.308 -0.000 -2.716) 3.014 24.702 ( 0.908 0.000 11.318) 11.355 24.842 ( 1.411 0.000 -2.876) 3.204 24.907 ( 0.197 0.000 2.477) 2.485 24.931 ( -0.052 -0.000 -0.557) 0.560 24.968 ( 2.932 0.000 15.409) 15.686 25.065 ( -6.210 -0.000 14.457) 15.734 25.081 ( 5.555 0.000 0.038) 5.556 25.414 ( -7.555 -0.000 -16.822) 18.440 26.042 ( 0.657 0.000 1.734) 1.855 26.144 ( 1.443 0.000 -6.115) 6.283 26.199 ( -0.593 -0.000 -0.697) 0.915 26.202 ( -1.369 -0.000 -0.875) 1.625 26.479 ( 0.724 0.000 3.057) 3.142 26.671 ( 2.813 0.000 -20.282) 20.476 44.290 ( -0.110 -0.000 13.185) 13.185 44.463 ( -0.463 -0.000 -4.300) 4.325 50.490 ( 2.669 0.000 5.555) 6.162 50.613 ( 3.726 0.000 -7.564) 8.432 51.430 ( -0.013 -0.000 11.525) 11.525 51.583 ( 0.079 0.000 -4.310) 4.310 59.332 ( -0.686 -0.000 2.883) 2.964 59.382 ( -0.240 -0.000 -2.083) 2.097 ======================= Grid point 382 (125/125) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.000 5.618 1.914) 5.935 1.420 ( -0.000 5.738 -3.154) 6.548 1.438 ( 0.000 -1.675 6.325) 6.543 1.577 ( 0.000 -1.428 -7.829) 7.958 1.705 ( 0.000 -3.910 3.724) 5.400 1.755 ( 0.000 -5.204 -1.148) 5.329 2.077 ( -0.000 3.393 11.964) 12.436 2.299 ( -0.000 2.718 -11.097) 11.425 2.447 ( 0.000 -0.452 5.545) 5.563 2.561 ( -0.000 0.169 -5.434) 5.436 2.605 ( 0.000 -2.306 4.837) 5.359 2.646 ( -0.000 1.437 0.548) 1.538 2.951 ( -0.000 12.202 4.511) 13.009 3.036 ( -0.000 12.608 -4.172) 13.280 3.340 ( 0.000 -0.984 -1.282) 1.616 3.347 ( 0.000 -1.135 -1.964) 2.269 3.500 ( 0.000 -14.148 4.540) 14.859 3.567 ( 0.000 -13.036 -2.505) 13.274 14.393 ( -0.000 0.165 5.754) 5.757 14.499 ( -0.000 0.176 -5.281) 5.284 14.675 ( 0.000 -4.201 7.310) 8.431 14.780 ( 0.000 -2.744 -3.555) 4.491 17.492 ( -0.000 1.057 15.544) 15.580 17.794 ( -0.000 2.796 -15.776) 16.022 22.469 ( 0.000 -10.811 0.411) 10.818 22.484 ( 0.000 -11.188 -1.083) 11.240 23.487 ( 0.000 -1.050 19.293) 19.322 23.835 ( 0.000 -1.335 -16.847) 16.900 24.003 ( -0.000 0.183 5.646) 5.649 24.089 ( 0.000 -1.106 -2.735) 2.950 24.212 ( 0.000 -2.268 1.219) 2.575 24.264 ( 0.000 -3.620 -3.236) 4.855 24.681 ( -0.000 2.529 11.048) 11.334 24.822 ( -0.000 2.440 -4.264) 4.913 24.894 ( -0.000 1.391 2.225) 2.624 24.924 ( -0.000 1.111 -0.558) 1.243 24.967 ( -0.000 1.030 24.293) 24.314 25.019 ( -0.000 1.927 6.704) 6.975 25.087 ( -0.000 1.783 0.144) 1.788 25.367 ( -0.000 1.505 -17.456) 17.521 26.005 ( -0.000 4.075 1.508) 4.344 26.118 ( -0.000 3.563 -7.744) 8.524 26.200 ( 0.000 -0.426 -0.408) 0.590 26.202 ( 0.000 -0.466 -0.740) 0.874 26.464 ( -0.000 1.733 2.529) 3.065 26.625 ( -0.000 5.392 -17.229) 18.053 44.174 ( -0.000 11.507 11.318) 16.140 44.334 ( -0.000 12.686 -4.913) 13.605 50.473 ( -0.000 2.710 5.529) 6.157 50.596 ( -0.000 3.237 -7.433) 8.107 51.378 ( -0.000 5.220 10.583) 11.801 51.530 ( -0.000 5.502 -5.099) 7.501 59.331 ( 0.000 -0.169 2.888) 2.893 59.381 ( -0.000 0.043 -2.083) 2.083 =================== 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 3/39366 10.0 541.290 304.072 338.887 0.000 0.000 0.000 3/39366 20.0 88.339 54.249 57.561 0.000 0.000 0.000 3/39366 30.0 43.869 28.044 29.754 0.000 0.000 0.000 3/39366 40.0 29.901 19.800 20.967 0.000 0.000 -0.000 3/39366 50.0 23.055 15.684 16.572 0.000 0.000 -0.000 3/39366 60.0 18.910 13.118 13.837 0.000 0.000 -0.000 3/39366 70.0 16.090 11.320 11.925 0.000 0.000 -0.000 3/39366 80.0 14.026 9.971 10.494 0.000 0.000 -0.000 3/39366 90.0 12.439 8.915 9.374 0.000 0.000 -0.000 3/39366 100.0 11.175 8.060 8.470 0.000 0.000 -0.000 3/39366 110.0 10.139 7.353 7.723 0.000 0.000 -0.000 3/39366 120.0 9.273 6.758 7.093 0.000 0.000 -0.000 3/39366 130.0 8.536 6.248 6.555 0.000 0.000 -0.000 3/39366 140.0 7.901 5.807 6.089 0.000 0.000 -0.000 3/39366 150.0 7.346 5.420 5.681 0.000 0.000 -0.000 3/39366 160.0 6.858 5.079 5.321 0.000 0.000 -0.000 3/39366 170.0 6.424 4.776 5.001 0.000 0.000 -0.000 3/39366 180.0 6.037 4.504 4.715 0.000 0.000 -0.000 3/39366 190.0 5.689 4.259 4.457 0.000 0.000 -0.000 3/39366 200.0 5.375 4.038 4.224 0.000 0.000 -0.000 3/39366 210.0 5.090 3.836 4.012 0.000 0.000 -0.000 3/39366 220.0 4.831 3.653 3.819 0.000 0.000 -0.000 3/39366 230.0 4.595 3.485 3.642 0.000 0.000 -0.000 3/39366 240.0 4.379 3.330 3.479 0.000 0.000 -0.000 3/39366 250.0 4.180 3.188 3.330 0.000 0.000 -0.000 3/39366 260.0 3.997 3.057 3.192 0.000 0.000 -0.000 3/39366 270.0 3.829 2.935 3.064 0.000 0.000 -0.000 3/39366 280.0 3.673 2.823 2.946 0.000 0.000 -0.000 3/39366 290.0 3.529 2.718 2.836 0.000 0.000 -0.000 3/39366 300.0 3.394 2.621 2.733 0.000 0.000 -0.000 3/39366 310.0 3.270 2.530 2.638 0.000 0.000 -0.000 3/39366 320.0 3.153 2.445 2.549 0.000 0.000 -0.000 3/39366 330.0 3.045 2.365 2.465 0.000 0.000 -0.000 3/39366 340.0 2.943 2.290 2.387 0.000 0.000 -0.000 3/39366 350.0 2.848 2.220 2.313 0.000 0.000 -0.000 3/39366 360.0 2.758 2.154 2.244 0.000 0.000 -0.000 3/39366 370.0 2.674 2.092 2.178 0.000 0.000 -0.000 3/39366 380.0 2.595 2.033 2.117 0.000 0.000 -0.000 3/39366 390.0 2.520 1.977 2.058 0.000 0.000 -0.000 3/39366 400.0 2.449 1.924 2.003 0.000 0.000 -0.000 3/39366 410.0 2.383 1.874 1.951 0.000 0.000 -0.000 3/39366 420.0 2.319 1.827 1.901 0.000 0.000 -0.000 3/39366 430.0 2.259 1.782 1.854 0.000 0.000 -0.000 3/39366 440.0 2.202 1.739 1.809 0.000 0.000 -0.000 3/39366 450.0 2.148 1.698 1.767 0.000 0.000 -0.000 3/39366 460.0 2.097 1.659 1.726 0.000 0.000 -0.000 3/39366 470.0 2.047 1.622 1.687 0.000 0.000 -0.000 3/39366 480.0 2.001 1.587 1.650 0.000 0.000 -0.000 3/39366 490.0 1.956 1.553 1.614 0.000 0.000 -0.000 3/39366 500.0 1.913 1.520 1.580 0.000 0.000 -0.000 3/39366 510.0 1.872 1.489 1.548 0.000 0.000 -0.000 3/39366 520.0 1.833 1.459 1.517 0.000 0.000 -0.000 3/39366 530.0 1.796 1.430 1.487 0.000 0.000 -0.000 3/39366 540.0 1.760 1.403 1.458 0.000 0.000 -0.000 3/39366 550.0 1.725 1.376 1.430 0.000 0.000 -0.000 3/39366 560.0 1.692 1.351 1.404 0.000 0.000 -0.000 3/39366 570.0 1.660 1.326 1.378 0.000 0.000 -0.000 3/39366 580.0 1.629 1.302 1.353 0.000 0.000 -0.000 3/39366 590.0 1.600 1.280 1.330 0.000 0.000 -0.000 3/39366 600.0 1.571 1.258 1.307 0.000 0.000 -0.000 3/39366 610.0 1.544 1.236 1.284 0.000 0.000 -0.000 3/39366 620.0 1.517 1.216 1.263 0.000 0.000 -0.000 3/39366 630.0 1.492 1.196 1.242 0.000 0.000 -0.000 3/39366 640.0 1.467 1.177 1.222 0.000 0.000 -0.000 3/39366 650.0 1.443 1.158 1.203 0.000 0.000 -0.000 3/39366 660.0 1.420 1.140 1.184 0.000 0.000 -0.000 3/39366 670.0 1.398 1.123 1.166 0.000 0.000 -0.000 3/39366 680.0 1.376 1.106 1.149 0.000 0.000 -0.000 3/39366 690.0 1.355 1.089 1.132 0.000 0.000 -0.000 3/39366 700.0 1.335 1.073 1.115 0.000 0.000 -0.000 3/39366 710.0 1.315 1.058 1.099 0.000 0.000 -0.000 3/39366 720.0 1.296 1.043 1.083 0.000 0.000 -0.000 3/39366 730.0 1.277 1.028 1.068 0.000 0.000 -0.000 3/39366 740.0 1.259 1.014 1.053 0.000 0.000 -0.000 3/39366 750.0 1.242 1.000 1.039 0.000 0.000 -0.000 3/39366 760.0 1.225 0.987 1.025 0.000 0.000 -0.000 3/39366 770.0 1.208 0.974 1.012 0.000 0.000 -0.000 3/39366 780.0 1.192 0.961 0.999 0.000 0.000 -0.000 3/39366 790.0 1.176 0.949 0.986 0.000 0.000 -0.000 3/39366 800.0 1.161 0.937 0.973 0.000 0.000 -0.000 3/39366 810.0 1.146 0.925 0.961 0.000 0.000 -0.000 3/39366 820.0 1.132 0.914 0.949 0.000 0.000 -0.000 3/39366 830.0 1.117 0.903 0.938 0.000 0.000 -0.000 3/39366 840.0 1.104 0.892 0.926 0.000 0.000 -0.000 3/39366 850.0 1.090 0.881 0.915 0.000 0.000 -0.000 3/39366 860.0 1.077 0.871 0.905 0.000 0.000 -0.000 3/39366 870.0 1.064 0.861 0.894 0.000 0.000 -0.000 3/39366 880.0 1.052 0.851 0.884 0.000 0.000 -0.000 3/39366 890.0 1.040 0.841 0.874 0.000 0.000 -0.000 3/39366 900.0 1.028 0.832 0.864 0.000 0.000 -0.000 3/39366 910.0 1.016 0.822 0.854 0.000 0.000 -0.000 3/39366 920.0 1.005 0.813 0.845 0.000 0.000 -0.000 3/39366 930.0 0.994 0.805 0.836 0.000 0.000 -0.000 3/39366 940.0 0.983 0.796 0.827 0.000 0.000 -0.000 3/39366 950.0 0.973 0.788 0.818 0.000 0.000 -0.000 3/39366 960.0 0.962 0.779 0.810 0.000 0.000 -0.000 3/39366 970.0 0.952 0.771 0.801 0.000 0.000 -0.000 3/39366 980.0 0.942 0.763 0.793 0.000 0.000 -0.000 3/39366 990.0 0.932 0.756 0.785 0.000 0.000 -0.000 3/39366 1000.0 0.923 0.748 0.777 0.000 0.000 -0.000 3/39366 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:12:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|