----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:54:34]------------------------- 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: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.019530680000000 -7.171704864999999 0.000000000000000 b 2.019530680000000 7.171704864999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.875357999999995 Atomic positions (fractional): *1 Cs 0.06035162591395 0.93964837408605 0.25000000000000 132.905 2 Cs 0.93964837408605 0.06035162591395 0.75000000000000 132.905 *3 Tm 0.19280019669237 0.80719980330763 0.59173844933947 168.934 4 Tm 0.80719980330763 0.19280019669237 0.09173844933947 168.934 5 Tm 0.80719980330763 0.19280019669237 0.40826155066053 168.934 6 Tm 0.19280019669237 0.80719980330763 0.90826155066053 168.934 *7 Cu 0.58461254114004 0.41538745885996 0.03039980338933 63.546 *8 Cu 0.65538402259336 0.34461597740664 0.75000000000000 63.546 9 Cu 0.41538745885996 0.58461254114004 0.96960019661067 63.546 10 Cu 0.41538745885996 0.58461254114004 0.53039980338933 63.546 11 Cu 0.34461597740664 0.65538402259336 0.25000000000000 63.546 12 Cu 0.58461254114004 0.41538745885996 0.46960019661067 63.546 *13 Se 0.43925072429657 0.56074927570343 0.38593861818072 78.960 *14 Se 0.83180323608648 0.16819676391352 0.92914825586372 78.960 15 Se 0.56074927570343 0.43925072429657 0.61406138181928 78.960 *16 Se 0.75917786148066 0.24082213851934 0.25000000000000 78.960 17 Se 0.16819676391352 0.83180323608648 0.42914825586372 78.960 18 Se 0.16819676391352 0.83180323608648 0.07085174413628 78.960 19 Se 0.56074927570343 0.43925072429657 0.88593861818072 78.960 20 Se 0.24082213851934 0.75917786148066 0.75000000000000 78.960 21 Se 0.83180323608648 0.16819676391352 0.57085174413628 78.960 22 Se 0.43925072429657 0.56074927570343 0.11406138181928 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.039061360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.343409729999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.875357999999995 Atomic positions (fractional): *1 Cs 0.50000000000000 0.43964837408605 0.25000000000000 132.905 > 1 2 Cs 0.00000000000000 0.06035162591395 0.75000000000000 132.905 > 2 3 Cs 0.00000000000000 0.93964837408605 0.25000000000000 132.905 > 1 4 Cs 0.50000000000000 0.56035162591395 0.75000000000000 132.905 > 2 *5 Tm 0.50000000000000 0.30719980330763 0.59173844933947 168.934 > 3 6 Tm 0.00000000000000 0.19280019669237 0.09173844933947 168.934 > 4 7 Tm 0.00000000000000 0.19280019669237 0.40826155066053 168.934 > 5 8 Tm 0.50000000000000 0.30719980330763 0.90826155066053 168.934 > 6 9 Tm 0.00000000000000 0.80719980330763 0.59173844933947 168.934 > 3 10 Tm 0.50000000000000 0.69280019669237 0.09173844933947 168.934 > 4 11 Tm 0.50000000000000 0.69280019669237 0.40826155066053 168.934 > 5 12 Tm 0.00000000000000 0.80719980330763 0.90826155066053 168.934 > 6 *13 Cu 0.00000000000000 0.41538745885996 0.03039980338933 63.546 > 7 *14 Cu 0.00000000000000 0.34461597740664 0.75000000000000 63.546 > 8 15 Cu 0.50000000000000 0.08461254114003 0.96960019661067 63.546 > 9 16 Cu 0.50000000000000 0.08461254114003 0.53039980338933 63.546 > 10 17 Cu 0.50000000000000 0.15538402259336 0.25000000000000 63.546 > 11 18 Cu 0.00000000000000 0.41538745885996 0.46960019661067 63.546 > 12 19 Cu 0.50000000000000 0.91538745885996 0.03039980338933 63.546 > 7 20 Cu 0.50000000000000 0.84461597740664 0.75000000000000 63.546 > 8 21 Cu 0.00000000000000 0.58461254114004 0.96960019661067 63.546 > 9 22 Cu 0.00000000000000 0.58461254114004 0.53039980338933 63.546 > 10 23 Cu 0.00000000000000 0.65538402259336 0.25000000000000 63.546 > 11 24 Cu 0.50000000000000 0.91538745885996 0.46960019661067 63.546 > 12 *25 Se 0.50000000000000 0.06074927570343 0.38593861818072 78.960 > 13 *26 Se 0.00000000000000 0.16819676391352 0.92914825586372 78.960 > 14 27 Se 0.00000000000000 0.43925072429657 0.61406138181928 78.960 > 15 *28 Se 0.00000000000000 0.24082213851934 0.25000000000000 78.960 > 16 29 Se 0.50000000000000 0.33180323608648 0.42914825586372 78.960 > 17 30 Se 0.50000000000000 0.33180323608648 0.07085174413628 78.960 > 18 31 Se 0.00000000000000 0.43925072429657 0.88593861818072 78.960 > 19 32 Se 0.50000000000000 0.25917786148066 0.75000000000000 78.960 > 20 33 Se 0.00000000000000 0.16819676391352 0.57085174413628 78.960 > 21 34 Se 0.50000000000000 0.06074927570343 0.11406138181928 78.960 > 22 35 Se 0.00000000000000 0.56074927570343 0.38593861818072 78.960 > 13 36 Se 0.50000000000000 0.66819676391352 0.92914825586372 78.960 > 14 37 Se 0.50000000000000 0.93925072429657 0.61406138181928 78.960 > 15 38 Se 0.50000000000000 0.74082213851934 0.25000000000000 78.960 > 16 39 Se 0.00000000000000 0.83180323608648 0.42914825586372 78.960 > 17 40 Se 0.00000000000000 0.83180323608648 0.07085174413628 78.960 > 18 41 Se 0.50000000000000 0.93925072429657 0.88593861818072 78.960 > 19 42 Se 0.00000000000000 0.75917786148066 0.75000000000000 78.960 > 20 43 Se 0.50000000000000 0.66819676391352 0.57085174413628 78.960 > 21 44 Se 0.00000000000000 0.56074927570343 0.11406138181928 78.960 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.117184079999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.343409729999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.875357999999995 Atomic positions (fractional): *1 Cs 0.16666666666667 0.43964837408605 0.25000000000000 132.905 > 1 2 Cs 0.50000000000000 0.43964837408605 0.25000000000000 132.905 > 1 3 Cs 0.83333333333333 0.43964837408605 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.06035162591395 0.75000000000000 132.905 > 2 5 Cs 0.33333333333333 0.06035162591395 0.75000000000000 132.905 > 2 6 Cs 0.66666666666667 0.06035162591395 0.75000000000000 132.905 > 2 7 Cs 0.00000000000000 0.93964837408605 0.25000000000000 132.905 > 1 8 Cs 0.33333333333333 0.93964837408605 0.25000000000000 132.905 > 1 9 Cs 0.66666666666667 0.93964837408605 0.25000000000000 132.905 > 1 10 Cs 0.16666666666667 0.56035162591395 0.75000000000000 132.905 > 2 11 Cs 0.50000000000000 0.56035162591395 0.75000000000000 132.905 > 2 12 Cs 0.83333333333333 0.56035162591395 0.75000000000000 132.905 > 2 *13 Tm 0.16666666666667 0.30719980330763 0.59173844933947 168.934 > 3 14 Tm 0.50000000000000 0.30719980330763 0.59173844933947 168.934 > 3 15 Tm 0.83333333333333 0.30719980330763 0.59173844933947 168.934 > 3 16 Tm 0.00000000000000 0.19280019669237 0.09173844933947 168.934 > 4 17 Tm 0.33333333333333 0.19280019669237 0.09173844933947 168.934 > 4 18 Tm 0.66666666666667 0.19280019669237 0.09173844933947 168.934 > 4 19 Tm 0.00000000000000 0.19280019669237 0.40826155066053 168.934 > 5 20 Tm 0.33333333333333 0.19280019669237 0.40826155066053 168.934 > 5 21 Tm 0.66666666666667 0.19280019669237 0.40826155066053 168.934 > 5 22 Tm 0.16666666666667 0.30719980330763 0.90826155066053 168.934 > 6 23 Tm 0.50000000000000 0.30719980330763 0.90826155066053 168.934 > 6 24 Tm 0.83333333333333 0.30719980330763 0.90826155066053 168.934 > 6 25 Tm 0.00000000000000 0.80719980330763 0.59173844933947 168.934 > 3 26 Tm 0.33333333333333 0.80719980330763 0.59173844933947 168.934 > 3 27 Tm 0.66666666666667 0.80719980330763 0.59173844933947 168.934 > 3 28 Tm 0.16666666666667 0.69280019669237 0.09173844933947 168.934 > 4 29 Tm 0.50000000000000 0.69280019669237 0.09173844933947 168.934 > 4 30 Tm 0.83333333333333 0.69280019669237 0.09173844933947 168.934 > 4 31 Tm 0.16666666666667 0.69280019669237 0.40826155066053 168.934 > 5 32 Tm 0.50000000000000 0.69280019669237 0.40826155066053 168.934 > 5 33 Tm 0.83333333333333 0.69280019669237 0.40826155066053 168.934 > 5 34 Tm 0.00000000000000 0.80719980330763 0.90826155066053 168.934 > 6 35 Tm 0.33333333333333 0.80719980330763 0.90826155066053 168.934 > 6 36 Tm 0.66666666666667 0.80719980330763 0.90826155066053 168.934 > 6 *37 Cu 0.00000000000000 0.41538745885996 0.03039980338933 63.546 > 7 38 Cu 0.33333333333333 0.41538745885996 0.03039980338933 63.546 > 7 39 Cu 0.66666666666667 0.41538745885996 0.03039980338933 63.546 > 7 *40 Cu 0.00000000000000 0.34461597740664 0.75000000000000 63.546 > 8 41 Cu 0.33333333333333 0.34461597740664 0.75000000000000 63.546 > 8 42 Cu 0.66666666666667 0.34461597740664 0.75000000000000 63.546 > 8 43 Cu 0.16666666666667 0.08461254114003 0.96960019661067 63.546 > 9 44 Cu 0.50000000000000 0.08461254114003 0.96960019661067 63.546 > 9 45 Cu 0.83333333333333 0.08461254114003 0.96960019661067 63.546 > 9 46 Cu 0.16666666666667 0.08461254114003 0.53039980338933 63.546 > 10 47 Cu 0.50000000000000 0.08461254114003 0.53039980338933 63.546 > 10 48 Cu 0.83333333333333 0.08461254114003 0.53039980338933 63.546 > 10 49 Cu 0.16666666666667 0.15538402259336 0.25000000000000 63.546 > 11 50 Cu 0.50000000000000 0.15538402259336 0.25000000000000 63.546 > 11 51 Cu 0.83333333333333 0.15538402259336 0.25000000000000 63.546 > 11 52 Cu 0.00000000000000 0.41538745885996 0.46960019661067 63.546 > 12 53 Cu 0.33333333333333 0.41538745885996 0.46960019661067 63.546 > 12 54 Cu 0.66666666666667 0.41538745885996 0.46960019661067 63.546 > 12 55 Cu 0.16666666666667 0.91538745885996 0.03039980338933 63.546 > 7 56 Cu 0.50000000000000 0.91538745885996 0.03039980338933 63.546 > 7 57 Cu 0.83333333333333 0.91538745885996 0.03039980338933 63.546 > 7 58 Cu 0.16666666666667 0.84461597740664 0.75000000000000 63.546 > 8 59 Cu 0.50000000000000 0.84461597740664 0.75000000000000 63.546 > 8 60 Cu 0.83333333333333 0.84461597740664 0.75000000000000 63.546 > 8 61 Cu 0.00000000000000 0.58461254114004 0.96960019661067 63.546 > 9 62 Cu 0.33333333333333 0.58461254114004 0.96960019661067 63.546 > 9 63 Cu 0.66666666666667 0.58461254114004 0.96960019661067 63.546 > 9 64 Cu 0.00000000000000 0.58461254114004 0.53039980338933 63.546 > 10 65 Cu 0.33333333333333 0.58461254114004 0.53039980338933 63.546 > 10 66 Cu 0.66666666666667 0.58461254114004 0.53039980338933 63.546 > 10 67 Cu 0.00000000000000 0.65538402259336 0.25000000000000 63.546 > 11 68 Cu 0.33333333333333 0.65538402259336 0.25000000000000 63.546 > 11 69 Cu 0.66666666666667 0.65538402259336 0.25000000000000 63.546 > 11 70 Cu 0.16666666666667 0.91538745885996 0.46960019661067 63.546 > 12 71 Cu 0.50000000000000 0.91538745885996 0.46960019661067 63.546 > 12 72 Cu 0.83333333333333 0.91538745885996 0.46960019661067 63.546 > 12 *73 Se 0.16666666666667 0.06074927570343 0.38593861818072 78.960 > 13 74 Se 0.50000000000000 0.06074927570343 0.38593861818072 78.960 > 13 75 Se 0.83333333333333 0.06074927570343 0.38593861818072 78.960 > 13 *76 Se 0.00000000000000 0.16819676391352 0.92914825586372 78.960 > 14 77 Se 0.33333333333333 0.16819676391352 0.92914825586372 78.960 > 14 78 Se 0.66666666666667 0.16819676391352 0.92914825586372 78.960 > 14 79 Se 0.00000000000000 0.43925072429657 0.61406138181928 78.960 > 15 80 Se 0.33333333333333 0.43925072429657 0.61406138181928 78.960 > 15 81 Se 0.66666666666667 0.43925072429657 0.61406138181928 78.960 > 15 *82 Se 0.00000000000000 0.24082213851934 0.25000000000000 78.960 > 16 83 Se 0.33333333333333 0.24082213851934 0.25000000000000 78.960 > 16 84 Se 0.66666666666667 0.24082213851934 0.25000000000000 78.960 > 16 85 Se 0.16666666666667 0.33180323608648 0.42914825586372 78.960 > 17 86 Se 0.50000000000000 0.33180323608648 0.42914825586372 78.960 > 17 87 Se 0.83333333333333 0.33180323608648 0.42914825586372 78.960 > 17 88 Se 0.16666666666667 0.33180323608648 0.07085174413628 78.960 > 18 89 Se 0.50000000000000 0.33180323608648 0.07085174413628 78.960 > 18 90 Se 0.83333333333333 0.33180323608648 0.07085174413628 78.960 > 18 91 Se 0.00000000000000 0.43925072429657 0.88593861818072 78.960 > 19 92 Se 0.33333333333333 0.43925072429657 0.88593861818072 78.960 > 19 93 Se 0.66666666666667 0.43925072429657 0.88593861818072 78.960 > 19 94 Se 0.16666666666667 0.25917786148066 0.75000000000000 78.960 > 20 95 Se 0.50000000000000 0.25917786148066 0.75000000000000 78.960 > 20 96 Se 0.83333333333333 0.25917786148066 0.75000000000000 78.960 > 20 97 Se 0.00000000000000 0.16819676391352 0.57085174413628 78.960 > 21 98 Se 0.33333333333333 0.16819676391352 0.57085174413628 78.960 > 21 99 Se 0.66666666666667 0.16819676391352 0.57085174413628 78.960 > 21 100 Se 0.16666666666667 0.06074927570343 0.11406138181928 78.960 > 22 101 Se 0.50000000000000 0.06074927570343 0.11406138181928 78.960 > 22 102 Se 0.83333333333333 0.06074927570343 0.11406138181928 78.960 > 22 103 Se 0.00000000000000 0.56074927570343 0.38593861818072 78.960 > 13 104 Se 0.33333333333333 0.56074927570343 0.38593861818072 78.960 > 13 105 Se 0.66666666666667 0.56074927570343 0.38593861818072 78.960 > 13 106 Se 0.16666666666667 0.66819676391352 0.92914825586372 78.960 > 14 107 Se 0.50000000000000 0.66819676391352 0.92914825586372 78.960 > 14 108 Se 0.83333333333333 0.66819676391352 0.92914825586372 78.960 > 14 109 Se 0.16666666666667 0.93925072429657 0.61406138181928 78.960 > 15 110 Se 0.50000000000000 0.93925072429657 0.61406138181928 78.960 > 15 111 Se 0.83333333333333 0.93925072429657 0.61406138181928 78.960 > 15 112 Se 0.16666666666667 0.74082213851934 0.25000000000000 78.960 > 16 113 Se 0.50000000000000 0.74082213851934 0.25000000000000 78.960 > 16 114 Se 0.83333333333333 0.74082213851934 0.25000000000000 78.960 > 16 115 Se 0.00000000000000 0.83180323608648 0.42914825586372 78.960 > 17 116 Se 0.33333333333333 0.83180323608648 0.42914825586372 78.960 > 17 117 Se 0.66666666666667 0.83180323608648 0.42914825586372 78.960 > 17 118 Se 0.00000000000000 0.83180323608648 0.07085174413628 78.960 > 18 119 Se 0.33333333333333 0.83180323608648 0.07085174413628 78.960 > 18 120 Se 0.66666666666667 0.83180323608648 0.07085174413628 78.960 > 18 121 Se 0.16666666666667 0.93925072429657 0.88593861818072 78.960 > 19 122 Se 0.50000000000000 0.93925072429657 0.88593861818072 78.960 > 19 123 Se 0.83333333333333 0.93925072429657 0.88593861818072 78.960 > 19 124 Se 0.00000000000000 0.75917786148066 0.75000000000000 78.960 > 20 125 Se 0.33333333333333 0.75917786148066 0.75000000000000 78.960 > 20 126 Se 0.66666666666667 0.75917786148066 0.75000000000000 78.960 > 20 127 Se 0.16666666666667 0.66819676391352 0.57085174413628 78.960 > 21 128 Se 0.50000000000000 0.66819676391352 0.57085174413628 78.960 > 21 129 Se 0.83333333333333 0.66819676391352 0.57085174413628 78.960 > 21 130 Se 0.00000000000000 0.56074927570343 0.11406138181928 78.960 > 22 131 Se 0.33333333333333 0.56074927570343 0.11406138181928 78.960 > 22 132 Se 0.66666666666667 0.56074927570343 0.11406138181928 78.960 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7112499 0.0000000 0.0000000 0.0000000 8.9236801 0.0000000 0.0000000 0.0000000 10.7278008 -------------------------- Born effective charges -------------------------- 1 Cs 1.0901747 0.0000000 0.0000000 0.0000000 1.6768838 0.0000000 0.0000000 0.0000000 1.7516788 2 Cs 1.0901747 0.0000000 0.0000000 0.0000000 1.6768838 0.0000000 0.0000000 0.0000000 1.7516788 3 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 0.9971455 0.0000000 0.0556129 4.2799369 4 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 -0.9971455 0.0000000 -0.0556129 4.2799369 5 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 0.9971455 0.0000000 0.0556129 4.2799369 6 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 -0.9971455 0.0000000 -0.0556129 4.2799369 7 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 0.2512234 0.0000000 0.2245073 0.9703688 8 Cu 0.6880737 0.0000000 0.0000000 0.0000000 0.5970230 0.0000000 0.0000000 0.0000000 1.4245907 9 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 0.2512234 0.0000000 0.2245073 0.9703688 10 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 -0.2512234 0.0000000 -0.2245073 0.9703688 11 Cu 0.6880737 0.0000000 0.0000000 0.0000000 0.5970230 0.0000000 0.0000000 0.0000000 1.4245907 12 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 -0.2512234 0.0000000 -0.2245073 0.9703688 13 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 -0.0471309 0.0000000 0.5074073 -2.5648125 14 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 0.2531569 0.0000000 0.3929171 -2.1270815 15 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 -0.0471309 0.0000000 0.5074073 -2.5648125 16 Se -1.5658726 0.0000000 0.0000000 0.0000000 -1.7351233 0.0000000 0.0000000 0.0000000 -4.2930930 17 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 -0.2531569 0.0000000 -0.3929171 -2.1270815 18 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 0.2531569 0.0000000 0.3929171 -2.1270815 19 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 0.0471309 0.0000000 -0.5074073 -2.5648125 20 Se -1.5658726 0.0000000 0.0000000 0.0000000 -1.7351233 0.0000000 0.0000000 0.0000000 -4.2930930 21 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 -0.2531569 0.0000000 -0.3929171 -2.1270815 22 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 0.0471309 0.0000000 -0.5074073 -2.5648125 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 3.443 Solver_block: 200 / 400 - Time: 3.439 Solver_block: 300 / 400 - Time: 3.433 Solver_block: 400 / 400 - Time: 3.435 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.809 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), 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 19:55:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:55:08]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.019530680000000 -7.171704864999999 0.000000000000000 b 2.019530680000000 7.171704864999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.875357999999995 Atomic positions (fractional): 1 Cs 0.06035162591395 0.93964837408605 0.25000000000000 132.905 2 Cs 0.93964837408605 0.06035162591395 0.75000000000000 132.905 3 Tm 0.19280019669237 0.80719980330763 0.59173844933947 168.934 4 Tm 0.80719980330763 0.19280019669237 0.09173844933947 168.934 5 Tm 0.80719980330763 0.19280019669237 0.40826155066053 168.934 6 Tm 0.19280019669237 0.80719980330763 0.90826155066053 168.934 7 Cu 0.58461254114004 0.41538745885996 0.03039980338933 63.546 8 Cu 0.65538402259336 0.34461597740664 0.75000000000000 63.546 9 Cu 0.41538745885996 0.58461254114004 0.96960019661067 63.546 10 Cu 0.41538745885996 0.58461254114004 0.53039980338933 63.546 11 Cu 0.34461597740664 0.65538402259336 0.25000000000000 63.546 12 Cu 0.58461254114004 0.41538745885996 0.46960019661067 63.546 13 Se 0.43925072429657 0.56074927570343 0.38593861818072 78.960 14 Se 0.83180323608648 0.16819676391352 0.92914825586372 78.960 15 Se 0.56074927570343 0.43925072429657 0.61406138181928 78.960 16 Se 0.75917786148066 0.24082213851934 0.25000000000000 78.960 17 Se 0.16819676391352 0.83180323608648 0.42914825586372 78.960 18 Se 0.16819676391352 0.83180323608648 0.07085174413628 78.960 19 Se 0.56074927570343 0.43925072429657 0.88593861818072 78.960 20 Se 0.24082213851934 0.75917786148066 0.75000000000000 78.960 21 Se 0.83180323608648 0.16819676391352 0.57085174413628 78.960 22 Se 0.43925072429657 0.56074927570343 0.11406138181928 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.117184079999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.343409729999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.875357999999995 Atomic positions (fractional): 1 Cs 0.16666666666667 0.43964837408605 0.25000000000000 132.905 > 1 2 Cs 0.50000000000000 0.43964837408605 0.25000000000000 132.905 > 1 3 Cs 0.83333333333333 0.43964837408605 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.06035162591395 0.75000000000000 132.905 > 4 5 Cs 0.33333333333333 0.06035162591395 0.75000000000000 132.905 > 4 6 Cs 0.66666666666667 0.06035162591395 0.75000000000000 132.905 > 4 7 Cs 0.00000000000000 0.93964837408605 0.25000000000000 132.905 > 1 8 Cs 0.33333333333333 0.93964837408605 0.25000000000000 132.905 > 1 9 Cs 0.66666666666667 0.93964837408605 0.25000000000000 132.905 > 1 10 Cs 0.16666666666667 0.56035162591395 0.75000000000000 132.905 > 4 11 Cs 0.50000000000000 0.56035162591395 0.75000000000000 132.905 > 4 12 Cs 0.83333333333333 0.56035162591395 0.75000000000000 132.905 > 4 13 Tm 0.16666666666667 0.30719980330763 0.59173844933947 168.934 > 13 14 Tm 0.50000000000000 0.30719980330763 0.59173844933947 168.934 > 13 15 Tm 0.83333333333333 0.30719980330763 0.59173844933947 168.934 > 13 16 Tm 0.00000000000000 0.19280019669237 0.09173844933947 168.934 > 16 17 Tm 0.33333333333333 0.19280019669237 0.09173844933947 168.934 > 16 18 Tm 0.66666666666667 0.19280019669237 0.09173844933947 168.934 > 16 19 Tm 0.00000000000000 0.19280019669237 0.40826155066053 168.934 > 19 20 Tm 0.33333333333333 0.19280019669237 0.40826155066053 168.934 > 19 21 Tm 0.66666666666667 0.19280019669237 0.40826155066053 168.934 > 19 22 Tm 0.16666666666667 0.30719980330763 0.90826155066053 168.934 > 22 23 Tm 0.50000000000000 0.30719980330763 0.90826155066053 168.934 > 22 24 Tm 0.83333333333333 0.30719980330763 0.90826155066053 168.934 > 22 25 Tm 0.00000000000000 0.80719980330763 0.59173844933947 168.934 > 13 26 Tm 0.33333333333333 0.80719980330763 0.59173844933947 168.934 > 13 27 Tm 0.66666666666667 0.80719980330763 0.59173844933947 168.934 > 13 28 Tm 0.16666666666667 0.69280019669237 0.09173844933947 168.934 > 16 29 Tm 0.50000000000000 0.69280019669237 0.09173844933947 168.934 > 16 30 Tm 0.83333333333333 0.69280019669237 0.09173844933947 168.934 > 16 31 Tm 0.16666666666667 0.69280019669237 0.40826155066053 168.934 > 19 32 Tm 0.50000000000000 0.69280019669237 0.40826155066053 168.934 > 19 33 Tm 0.83333333333333 0.69280019669237 0.40826155066053 168.934 > 19 34 Tm 0.00000000000000 0.80719980330763 0.90826155066053 168.934 > 22 35 Tm 0.33333333333333 0.80719980330763 0.90826155066053 168.934 > 22 36 Tm 0.66666666666667 0.80719980330763 0.90826155066053 168.934 > 22 37 Cu 0.00000000000000 0.41538745885996 0.03039980338933 63.546 > 37 38 Cu 0.33333333333333 0.41538745885996 0.03039980338933 63.546 > 37 39 Cu 0.66666666666667 0.41538745885996 0.03039980338933 63.546 > 37 40 Cu 0.00000000000000 0.34461597740664 0.75000000000000 63.546 > 40 41 Cu 0.33333333333333 0.34461597740664 0.75000000000000 63.546 > 40 42 Cu 0.66666666666667 0.34461597740664 0.75000000000000 63.546 > 40 43 Cu 0.16666666666667 0.08461254114003 0.96960019661067 63.546 > 43 44 Cu 0.50000000000000 0.08461254114003 0.96960019661067 63.546 > 43 45 Cu 0.83333333333333 0.08461254114003 0.96960019661067 63.546 > 43 46 Cu 0.16666666666667 0.08461254114003 0.53039980338933 63.546 > 46 47 Cu 0.50000000000000 0.08461254114003 0.53039980338933 63.546 > 46 48 Cu 0.83333333333333 0.08461254114003 0.53039980338933 63.546 > 46 49 Cu 0.16666666666667 0.15538402259336 0.25000000000000 63.546 > 49 50 Cu 0.50000000000000 0.15538402259336 0.25000000000000 63.546 > 49 51 Cu 0.83333333333333 0.15538402259336 0.25000000000000 63.546 > 49 52 Cu 0.00000000000000 0.41538745885996 0.46960019661067 63.546 > 52 53 Cu 0.33333333333333 0.41538745885996 0.46960019661067 63.546 > 52 54 Cu 0.66666666666667 0.41538745885996 0.46960019661067 63.546 > 52 55 Cu 0.16666666666667 0.91538745885996 0.03039980338933 63.546 > 37 56 Cu 0.50000000000000 0.91538745885996 0.03039980338933 63.546 > 37 57 Cu 0.83333333333333 0.91538745885996 0.03039980338933 63.546 > 37 58 Cu 0.16666666666667 0.84461597740664 0.75000000000000 63.546 > 40 59 Cu 0.50000000000000 0.84461597740664 0.75000000000000 63.546 > 40 60 Cu 0.83333333333333 0.84461597740664 0.75000000000000 63.546 > 40 61 Cu 0.00000000000000 0.58461254114004 0.96960019661067 63.546 > 43 62 Cu 0.33333333333333 0.58461254114004 0.96960019661067 63.546 > 43 63 Cu 0.66666666666667 0.58461254114004 0.96960019661067 63.546 > 43 64 Cu 0.00000000000000 0.58461254114004 0.53039980338933 63.546 > 46 65 Cu 0.33333333333333 0.58461254114004 0.53039980338933 63.546 > 46 66 Cu 0.66666666666667 0.58461254114004 0.53039980338933 63.546 > 46 67 Cu 0.00000000000000 0.65538402259336 0.25000000000000 63.546 > 49 68 Cu 0.33333333333333 0.65538402259336 0.25000000000000 63.546 > 49 69 Cu 0.66666666666667 0.65538402259336 0.25000000000000 63.546 > 49 70 Cu 0.16666666666667 0.91538745885996 0.46960019661067 63.546 > 52 71 Cu 0.50000000000000 0.91538745885996 0.46960019661067 63.546 > 52 72 Cu 0.83333333333333 0.91538745885996 0.46960019661067 63.546 > 52 73 Se 0.16666666666667 0.06074927570343 0.38593861818072 78.960 > 73 74 Se 0.50000000000000 0.06074927570343 0.38593861818072 78.960 > 73 75 Se 0.83333333333333 0.06074927570343 0.38593861818072 78.960 > 73 76 Se 0.00000000000000 0.16819676391352 0.92914825586372 78.960 > 76 77 Se 0.33333333333333 0.16819676391352 0.92914825586372 78.960 > 76 78 Se 0.66666666666667 0.16819676391352 0.92914825586372 78.960 > 76 79 Se 0.00000000000000 0.43925072429657 0.61406138181928 78.960 > 79 80 Se 0.33333333333333 0.43925072429657 0.61406138181928 78.960 > 79 81 Se 0.66666666666667 0.43925072429657 0.61406138181928 78.960 > 79 82 Se 0.00000000000000 0.24082213851934 0.25000000000000 78.960 > 82 83 Se 0.33333333333333 0.24082213851934 0.25000000000000 78.960 > 82 84 Se 0.66666666666667 0.24082213851934 0.25000000000000 78.960 > 82 85 Se 0.16666666666667 0.33180323608648 0.42914825586372 78.960 > 85 86 Se 0.50000000000000 0.33180323608648 0.42914825586372 78.960 > 85 87 Se 0.83333333333333 0.33180323608648 0.42914825586372 78.960 > 85 88 Se 0.16666666666667 0.33180323608648 0.07085174413628 78.960 > 88 89 Se 0.50000000000000 0.33180323608648 0.07085174413628 78.960 > 88 90 Se 0.83333333333333 0.33180323608648 0.07085174413628 78.960 > 88 91 Se 0.00000000000000 0.43925072429657 0.88593861818072 78.960 > 91 92 Se 0.33333333333333 0.43925072429657 0.88593861818072 78.960 > 91 93 Se 0.66666666666667 0.43925072429657 0.88593861818072 78.960 > 91 94 Se 0.16666666666667 0.25917786148066 0.75000000000000 78.960 > 94 95 Se 0.50000000000000 0.25917786148066 0.75000000000000 78.960 > 94 96 Se 0.83333333333333 0.25917786148066 0.75000000000000 78.960 > 94 97 Se 0.00000000000000 0.16819676391352 0.57085174413628 78.960 > 97 98 Se 0.33333333333333 0.16819676391352 0.57085174413628 78.960 > 97 99 Se 0.66666666666667 0.16819676391352 0.57085174413628 78.960 > 97 100 Se 0.16666666666667 0.06074927570343 0.11406138181928 78.960 > 100 101 Se 0.50000000000000 0.06074927570343 0.11406138181928 78.960 > 100 102 Se 0.83333333333333 0.06074927570343 0.11406138181928 78.960 > 100 103 Se 0.00000000000000 0.56074927570343 0.38593861818072 78.960 > 73 104 Se 0.33333333333333 0.56074927570343 0.38593861818072 78.960 > 73 105 Se 0.66666666666667 0.56074927570343 0.38593861818072 78.960 > 73 106 Se 0.16666666666667 0.66819676391352 0.92914825586372 78.960 > 76 107 Se 0.50000000000000 0.66819676391352 0.92914825586372 78.960 > 76 108 Se 0.83333333333333 0.66819676391352 0.92914825586372 78.960 > 76 109 Se 0.16666666666667 0.93925072429657 0.61406138181928 78.960 > 79 110 Se 0.50000000000000 0.93925072429657 0.61406138181928 78.960 > 79 111 Se 0.83333333333333 0.93925072429657 0.61406138181928 78.960 > 79 112 Se 0.16666666666667 0.74082213851934 0.25000000000000 78.960 > 82 113 Se 0.50000000000000 0.74082213851934 0.25000000000000 78.960 > 82 114 Se 0.83333333333333 0.74082213851934 0.25000000000000 78.960 > 82 115 Se 0.00000000000000 0.83180323608648 0.42914825586372 78.960 > 85 116 Se 0.33333333333333 0.83180323608648 0.42914825586372 78.960 > 85 117 Se 0.66666666666667 0.83180323608648 0.42914825586372 78.960 > 85 118 Se 0.00000000000000 0.83180323608648 0.07085174413628 78.960 > 88 119 Se 0.33333333333333 0.83180323608648 0.07085174413628 78.960 > 88 120 Se 0.66666666666667 0.83180323608648 0.07085174413628 78.960 > 88 121 Se 0.16666666666667 0.93925072429657 0.88593861818072 78.960 > 91 122 Se 0.50000000000000 0.93925072429657 0.88593861818072 78.960 > 91 123 Se 0.83333333333333 0.93925072429657 0.88593861818072 78.960 > 91 124 Se 0.00000000000000 0.75917786148066 0.75000000000000 78.960 > 94 125 Se 0.33333333333333 0.75917786148066 0.75000000000000 78.960 > 94 126 Se 0.66666666666667 0.75917786148066 0.75000000000000 78.960 > 94 127 Se 0.16666666666667 0.66819676391352 0.57085174413628 78.960 > 97 128 Se 0.50000000000000 0.66819676391352 0.57085174413628 78.960 > 97 129 Se 0.83333333333333 0.66819676391352 0.57085174413628 78.960 > 97 130 Se 0.00000000000000 0.56074927570343 0.11406138181928 78.960 > 100 131 Se 0.33333333333333 0.56074927570343 0.11406138181928 78.960 > 100 132 Se 0.66666666666667 0.56074927570343 0.11406138181928 78.960 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7112499 0.0000000 0.0000000 0.0000000 8.9236801 0.0000000 0.0000000 0.0000000 10.7278008 -------------------------- Born effective charges -------------------------- 1 Cs 1.0901747 0.0000000 0.0000000 0.0000000 1.6768838 0.0000000 0.0000000 0.0000000 1.7516788 2 Cs 1.0901747 0.0000000 0.0000000 0.0000000 1.6768838 0.0000000 0.0000000 0.0000000 1.7516788 3 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 0.9971455 0.0000000 0.0556129 4.2799369 4 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 -0.9971455 0.0000000 -0.0556129 4.2799369 5 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 0.9971455 0.0000000 0.0556129 4.2799369 6 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 -0.9971455 0.0000000 -0.0556129 4.2799369 7 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 0.2512234 0.0000000 0.2245073 0.9703688 8 Cu 0.6880737 0.0000000 0.0000000 0.0000000 0.5970230 0.0000000 0.0000000 0.0000000 1.4245907 9 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 0.2512234 0.0000000 0.2245073 0.9703688 10 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 -0.2512234 0.0000000 -0.2245073 0.9703688 11 Cu 0.6880737 0.0000000 0.0000000 0.0000000 0.5970230 0.0000000 0.0000000 0.0000000 1.4245907 12 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 -0.2512234 0.0000000 -0.2245073 0.9703688 13 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 -0.0471309 0.0000000 0.5074073 -2.5648125 14 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 0.2531569 0.0000000 0.3929171 -2.1270815 15 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 -0.0471309 0.0000000 0.5074073 -2.5648125 16 Se -1.5658726 0.0000000 0.0000000 0.0000000 -1.7351233 0.0000000 0.0000000 0.0000000 -4.2930930 17 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 -0.2531569 0.0000000 -0.3929171 -2.1270815 18 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 0.2531569 0.0000000 0.3929171 -2.1270815 19 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 0.0471309 0.0000000 -0.5074073 -2.5648125 20 Se -1.5658726 0.0000000 0.0000000 0.0000000 -1.7351233 0.0000000 0.0000000 0.0000000 -4.2930930 21 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 -0.2531569 0.0000000 -0.3929171 -2.1270815 22 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 0.0471309 0.0000000 -0.5074073 -2.5648125 ---------------------------------------------------------------------------- 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[ 13, 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[ 37, 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[ 40, 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[ 73, 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[ 76, 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[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyy) 0.00000000 (xyy) 0.00000000 (xyy) 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 19:55:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:55:36]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.019530680000000 -7.171704864999999 0.000000000000000 b 2.019530680000000 7.171704864999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.875357999999995 Atomic positions (fractional): 1 Cs 0.06035162591395 0.93964837408605 0.25000000000000 132.905 2 Cs 0.93964837408605 0.06035162591395 0.75000000000000 132.905 3 Tm 0.19280019669237 0.80719980330763 0.59173844933947 168.934 4 Tm 0.80719980330763 0.19280019669237 0.09173844933947 168.934 5 Tm 0.80719980330763 0.19280019669237 0.40826155066053 168.934 6 Tm 0.19280019669237 0.80719980330763 0.90826155066053 168.934 7 Cu 0.58461254114004 0.41538745885996 0.03039980338933 63.546 8 Cu 0.65538402259336 0.34461597740664 0.75000000000000 63.546 9 Cu 0.41538745885996 0.58461254114004 0.96960019661067 63.546 10 Cu 0.41538745885996 0.58461254114004 0.53039980338933 63.546 11 Cu 0.34461597740664 0.65538402259336 0.25000000000000 63.546 12 Cu 0.58461254114004 0.41538745885996 0.46960019661067 63.546 13 Se 0.43925072429657 0.56074927570343 0.38593861818072 78.960 14 Se 0.83180323608648 0.16819676391352 0.92914825586372 78.960 15 Se 0.56074927570343 0.43925072429657 0.61406138181928 78.960 16 Se 0.75917786148066 0.24082213851934 0.25000000000000 78.960 17 Se 0.16819676391352 0.83180323608648 0.42914825586372 78.960 18 Se 0.16819676391352 0.83180323608648 0.07085174413628 78.960 19 Se 0.56074927570343 0.43925072429657 0.88593861818072 78.960 20 Se 0.24082213851934 0.75917786148066 0.75000000000000 78.960 21 Se 0.83180323608648 0.16819676391352 0.57085174413628 78.960 22 Se 0.43925072429657 0.56074927570343 0.11406138181928 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.117184079999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.343409729999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.875357999999995 Atomic positions (fractional): 1 Cs 0.16666666666667 0.43964837408605 0.25000000000000 132.905 > 1 2 Cs 0.50000000000000 0.43964837408605 0.25000000000000 132.905 > 1 3 Cs 0.83333333333333 0.43964837408605 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.06035162591395 0.75000000000000 132.905 > 4 5 Cs 0.33333333333333 0.06035162591395 0.75000000000000 132.905 > 4 6 Cs 0.66666666666667 0.06035162591395 0.75000000000000 132.905 > 4 7 Cs 0.00000000000000 0.93964837408605 0.25000000000000 132.905 > 1 8 Cs 0.33333333333333 0.93964837408605 0.25000000000000 132.905 > 1 9 Cs 0.66666666666667 0.93964837408605 0.25000000000000 132.905 > 1 10 Cs 0.16666666666667 0.56035162591395 0.75000000000000 132.905 > 4 11 Cs 0.50000000000000 0.56035162591395 0.75000000000000 132.905 > 4 12 Cs 0.83333333333333 0.56035162591395 0.75000000000000 132.905 > 4 13 Tm 0.16666666666667 0.30719980330763 0.59173844933947 168.934 > 13 14 Tm 0.50000000000000 0.30719980330763 0.59173844933947 168.934 > 13 15 Tm 0.83333333333333 0.30719980330763 0.59173844933947 168.934 > 13 16 Tm 0.00000000000000 0.19280019669237 0.09173844933947 168.934 > 16 17 Tm 0.33333333333333 0.19280019669237 0.09173844933947 168.934 > 16 18 Tm 0.66666666666667 0.19280019669237 0.09173844933947 168.934 > 16 19 Tm 0.00000000000000 0.19280019669237 0.40826155066053 168.934 > 19 20 Tm 0.33333333333333 0.19280019669237 0.40826155066053 168.934 > 19 21 Tm 0.66666666666667 0.19280019669237 0.40826155066053 168.934 > 19 22 Tm 0.16666666666667 0.30719980330763 0.90826155066053 168.934 > 22 23 Tm 0.50000000000000 0.30719980330763 0.90826155066053 168.934 > 22 24 Tm 0.83333333333333 0.30719980330763 0.90826155066053 168.934 > 22 25 Tm 0.00000000000000 0.80719980330763 0.59173844933947 168.934 > 13 26 Tm 0.33333333333333 0.80719980330763 0.59173844933947 168.934 > 13 27 Tm 0.66666666666667 0.80719980330763 0.59173844933947 168.934 > 13 28 Tm 0.16666666666667 0.69280019669237 0.09173844933947 168.934 > 16 29 Tm 0.50000000000000 0.69280019669237 0.09173844933947 168.934 > 16 30 Tm 0.83333333333333 0.69280019669237 0.09173844933947 168.934 > 16 31 Tm 0.16666666666667 0.69280019669237 0.40826155066053 168.934 > 19 32 Tm 0.50000000000000 0.69280019669237 0.40826155066053 168.934 > 19 33 Tm 0.83333333333333 0.69280019669237 0.40826155066053 168.934 > 19 34 Tm 0.00000000000000 0.80719980330763 0.90826155066053 168.934 > 22 35 Tm 0.33333333333333 0.80719980330763 0.90826155066053 168.934 > 22 36 Tm 0.66666666666667 0.80719980330763 0.90826155066053 168.934 > 22 37 Cu 0.00000000000000 0.41538745885996 0.03039980338933 63.546 > 37 38 Cu 0.33333333333333 0.41538745885996 0.03039980338933 63.546 > 37 39 Cu 0.66666666666667 0.41538745885996 0.03039980338933 63.546 > 37 40 Cu 0.00000000000000 0.34461597740664 0.75000000000000 63.546 > 40 41 Cu 0.33333333333333 0.34461597740664 0.75000000000000 63.546 > 40 42 Cu 0.66666666666667 0.34461597740664 0.75000000000000 63.546 > 40 43 Cu 0.16666666666667 0.08461254114003 0.96960019661067 63.546 > 43 44 Cu 0.50000000000000 0.08461254114003 0.96960019661067 63.546 > 43 45 Cu 0.83333333333333 0.08461254114003 0.96960019661067 63.546 > 43 46 Cu 0.16666666666667 0.08461254114003 0.53039980338933 63.546 > 46 47 Cu 0.50000000000000 0.08461254114003 0.53039980338933 63.546 > 46 48 Cu 0.83333333333333 0.08461254114003 0.53039980338933 63.546 > 46 49 Cu 0.16666666666667 0.15538402259336 0.25000000000000 63.546 > 49 50 Cu 0.50000000000000 0.15538402259336 0.25000000000000 63.546 > 49 51 Cu 0.83333333333333 0.15538402259336 0.25000000000000 63.546 > 49 52 Cu 0.00000000000000 0.41538745885996 0.46960019661067 63.546 > 52 53 Cu 0.33333333333333 0.41538745885996 0.46960019661067 63.546 > 52 54 Cu 0.66666666666667 0.41538745885996 0.46960019661067 63.546 > 52 55 Cu 0.16666666666667 0.91538745885996 0.03039980338933 63.546 > 37 56 Cu 0.50000000000000 0.91538745885996 0.03039980338933 63.546 > 37 57 Cu 0.83333333333333 0.91538745885996 0.03039980338933 63.546 > 37 58 Cu 0.16666666666667 0.84461597740664 0.75000000000000 63.546 > 40 59 Cu 0.50000000000000 0.84461597740664 0.75000000000000 63.546 > 40 60 Cu 0.83333333333333 0.84461597740664 0.75000000000000 63.546 > 40 61 Cu 0.00000000000000 0.58461254114004 0.96960019661067 63.546 > 43 62 Cu 0.33333333333333 0.58461254114004 0.96960019661067 63.546 > 43 63 Cu 0.66666666666667 0.58461254114004 0.96960019661067 63.546 > 43 64 Cu 0.00000000000000 0.58461254114004 0.53039980338933 63.546 > 46 65 Cu 0.33333333333333 0.58461254114004 0.53039980338933 63.546 > 46 66 Cu 0.66666666666667 0.58461254114004 0.53039980338933 63.546 > 46 67 Cu 0.00000000000000 0.65538402259336 0.25000000000000 63.546 > 49 68 Cu 0.33333333333333 0.65538402259336 0.25000000000000 63.546 > 49 69 Cu 0.66666666666667 0.65538402259336 0.25000000000000 63.546 > 49 70 Cu 0.16666666666667 0.91538745885996 0.46960019661067 63.546 > 52 71 Cu 0.50000000000000 0.91538745885996 0.46960019661067 63.546 > 52 72 Cu 0.83333333333333 0.91538745885996 0.46960019661067 63.546 > 52 73 Se 0.16666666666667 0.06074927570343 0.38593861818072 78.960 > 73 74 Se 0.50000000000000 0.06074927570343 0.38593861818072 78.960 > 73 75 Se 0.83333333333333 0.06074927570343 0.38593861818072 78.960 > 73 76 Se 0.00000000000000 0.16819676391352 0.92914825586372 78.960 > 76 77 Se 0.33333333333333 0.16819676391352 0.92914825586372 78.960 > 76 78 Se 0.66666666666667 0.16819676391352 0.92914825586372 78.960 > 76 79 Se 0.00000000000000 0.43925072429657 0.61406138181928 78.960 > 79 80 Se 0.33333333333333 0.43925072429657 0.61406138181928 78.960 > 79 81 Se 0.66666666666667 0.43925072429657 0.61406138181928 78.960 > 79 82 Se 0.00000000000000 0.24082213851934 0.25000000000000 78.960 > 82 83 Se 0.33333333333333 0.24082213851934 0.25000000000000 78.960 > 82 84 Se 0.66666666666667 0.24082213851934 0.25000000000000 78.960 > 82 85 Se 0.16666666666667 0.33180323608648 0.42914825586372 78.960 > 85 86 Se 0.50000000000000 0.33180323608648 0.42914825586372 78.960 > 85 87 Se 0.83333333333333 0.33180323608648 0.42914825586372 78.960 > 85 88 Se 0.16666666666667 0.33180323608648 0.07085174413628 78.960 > 88 89 Se 0.50000000000000 0.33180323608648 0.07085174413628 78.960 > 88 90 Se 0.83333333333333 0.33180323608648 0.07085174413628 78.960 > 88 91 Se 0.00000000000000 0.43925072429657 0.88593861818072 78.960 > 91 92 Se 0.33333333333333 0.43925072429657 0.88593861818072 78.960 > 91 93 Se 0.66666666666667 0.43925072429657 0.88593861818072 78.960 > 91 94 Se 0.16666666666667 0.25917786148066 0.75000000000000 78.960 > 94 95 Se 0.50000000000000 0.25917786148066 0.75000000000000 78.960 > 94 96 Se 0.83333333333333 0.25917786148066 0.75000000000000 78.960 > 94 97 Se 0.00000000000000 0.16819676391352 0.57085174413628 78.960 > 97 98 Se 0.33333333333333 0.16819676391352 0.57085174413628 78.960 > 97 99 Se 0.66666666666667 0.16819676391352 0.57085174413628 78.960 > 97 100 Se 0.16666666666667 0.06074927570343 0.11406138181928 78.960 > 100 101 Se 0.50000000000000 0.06074927570343 0.11406138181928 78.960 > 100 102 Se 0.83333333333333 0.06074927570343 0.11406138181928 78.960 > 100 103 Se 0.00000000000000 0.56074927570343 0.38593861818072 78.960 > 73 104 Se 0.33333333333333 0.56074927570343 0.38593861818072 78.960 > 73 105 Se 0.66666666666667 0.56074927570343 0.38593861818072 78.960 > 73 106 Se 0.16666666666667 0.66819676391352 0.92914825586372 78.960 > 76 107 Se 0.50000000000000 0.66819676391352 0.92914825586372 78.960 > 76 108 Se 0.83333333333333 0.66819676391352 0.92914825586372 78.960 > 76 109 Se 0.16666666666667 0.93925072429657 0.61406138181928 78.960 > 79 110 Se 0.50000000000000 0.93925072429657 0.61406138181928 78.960 > 79 111 Se 0.83333333333333 0.93925072429657 0.61406138181928 78.960 > 79 112 Se 0.16666666666667 0.74082213851934 0.25000000000000 78.960 > 82 113 Se 0.50000000000000 0.74082213851934 0.25000000000000 78.960 > 82 114 Se 0.83333333333333 0.74082213851934 0.25000000000000 78.960 > 82 115 Se 0.00000000000000 0.83180323608648 0.42914825586372 78.960 > 85 116 Se 0.33333333333333 0.83180323608648 0.42914825586372 78.960 > 85 117 Se 0.66666666666667 0.83180323608648 0.42914825586372 78.960 > 85 118 Se 0.00000000000000 0.83180323608648 0.07085174413628 78.960 > 88 119 Se 0.33333333333333 0.83180323608648 0.07085174413628 78.960 > 88 120 Se 0.66666666666667 0.83180323608648 0.07085174413628 78.960 > 88 121 Se 0.16666666666667 0.93925072429657 0.88593861818072 78.960 > 91 122 Se 0.50000000000000 0.93925072429657 0.88593861818072 78.960 > 91 123 Se 0.83333333333333 0.93925072429657 0.88593861818072 78.960 > 91 124 Se 0.00000000000000 0.75917786148066 0.75000000000000 78.960 > 94 125 Se 0.33333333333333 0.75917786148066 0.75000000000000 78.960 > 94 126 Se 0.66666666666667 0.75917786148066 0.75000000000000 78.960 > 94 127 Se 0.16666666666667 0.66819676391352 0.57085174413628 78.960 > 97 128 Se 0.50000000000000 0.66819676391352 0.57085174413628 78.960 > 97 129 Se 0.83333333333333 0.66819676391352 0.57085174413628 78.960 > 97 130 Se 0.00000000000000 0.56074927570343 0.11406138181928 78.960 > 100 131 Se 0.33333333333333 0.56074927570343 0.11406138181928 78.960 > 100 132 Se 0.66666666666667 0.56074927570343 0.11406138181928 78.960 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.7112499 0.0000000 0.0000000 0.0000000 8.9236801 0.0000000 0.0000000 0.0000000 10.7278008 -------------------------- Born effective charges -------------------------- 1 Cs 1.0901747 0.0000000 0.0000000 0.0000000 1.6768838 0.0000000 0.0000000 0.0000000 1.7516788 2 Cs 1.0901747 0.0000000 0.0000000 0.0000000 1.6768838 0.0000000 0.0000000 0.0000000 1.7516788 3 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 0.9971455 0.0000000 0.0556129 4.2799369 4 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 -0.9971455 0.0000000 -0.0556129 4.2799369 5 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 0.9971455 0.0000000 0.0556129 4.2799369 6 Tm 4.6157210 0.0000000 0.0000000 0.0000000 3.1453264 -0.9971455 0.0000000 -0.0556129 4.2799369 7 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 0.2512234 0.0000000 0.2245073 0.9703688 8 Cu 0.6880737 0.0000000 0.0000000 0.0000000 0.5970230 0.0000000 0.0000000 0.0000000 1.4245907 9 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 0.2512234 0.0000000 0.2245073 0.9703688 10 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 -0.2512234 0.0000000 -0.2245073 0.9703688 11 Cu 0.6880737 0.0000000 0.0000000 0.0000000 0.5970230 0.0000000 0.0000000 0.0000000 1.4245907 12 Cu 1.0055931 0.0000000 0.0000000 0.0000000 0.9379736 -0.2512234 0.0000000 -0.2245073 0.9703688 13 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 -0.0471309 0.0000000 0.5074073 -2.5648125 14 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 0.2531569 0.0000000 0.3929171 -2.1270815 15 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 -0.0471309 0.0000000 0.5074073 -2.5648125 16 Se -1.5658726 0.0000000 0.0000000 0.0000000 -1.7351233 0.0000000 0.0000000 0.0000000 -4.2930930 17 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 -0.2531569 0.0000000 -0.3929171 -2.1270815 18 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 0.2531569 0.0000000 0.3929171 -2.1270815 19 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 0.0471309 0.0000000 -0.5074073 -2.5648125 20 Se -1.5658726 0.0000000 0.0000000 0.0000000 -1.7351233 0.0000000 0.0000000 0.0000000 -4.2930930 21 Se -3.2788157 0.0000000 0.0000000 0.0000000 -2.0607047 -0.2531569 0.0000000 -0.3929171 -2.1270815 22 Se -2.4486863 0.0000000 0.0000000 0.0000000 -2.2919871 0.0471309 0.0000000 -0.5074073 -2.5648125 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyy) 0.00000000 (xyy) 0.00000000 (xyy) 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 ... [ 13 13 3 ] 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: 0.53, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/98) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 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 0.527 ( 0.000 0.000 0.000) 0.000 0.900 ( 0.000 0.000 0.000) 0.000 0.901 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 0.000) 0.000 1.315 ( 0.000 0.000 0.000) 0.000 1.587 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/98) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 17.407 -5.507 0.000) 18.257 0.403 ( 21.403 1.037 0.000) 21.428 0.533 ( 1.349 0.497 0.000) 1.438 0.746 ( 34.920 -12.199 0.000) 36.990 0.800 ( -2.850 0.380 0.000) 2.875 1.077 ( 7.210 1.606 0.000) 7.387 1.175 ( 16.181 -5.893 0.000) 17.221 1.215 ( 2.899 -1.582 0.000) 3.302 1.353 ( 5.474 4.687 0.000) 7.206 1.656 ( 5.742 0.464 0.000) 5.761 1.674 ( 0.593 -0.112 0.000) 0.603 1.718 ( 8.493 -0.529 0.000) 8.509 1.729 ( 7.479 -5.618 0.000) 9.354 1.887 ( 11.175 0.625 0.000) 11.192 1.937 ( 0.165 2.245 0.000) 2.251 2.037 ( 2.650 -1.719 0.000) 3.159 2.090 ( 2.193 0.251 0.000) 2.207 2.161 ( -2.378 0.443 0.000) 2.418 2.162 ( -1.003 -1.276 0.000) 1.623 2.338 ( -0.901 1.967 0.000) 2.163 2.372 ( 1.841 -0.834 0.000) 2.021 2.373 ( 1.311 -0.154 0.000) 1.320 2.405 ( 0.772 0.261 0.000) 0.815 2.436 ( 1.521 -0.544 0.000) 1.616 2.501 ( 5.480 -0.321 0.000) 5.490 2.591 ( 5.962 2.483 0.000) 6.459 2.646 ( 2.106 -0.539 0.000) 2.174 2.655 ( 2.555 -1.692 0.000) 3.065 2.897 ( 0.345 0.583 0.000) 0.678 2.930 ( -1.882 0.092 0.000) 1.884 2.976 ( -2.430 -3.715 0.000) 4.439 3.165 ( 0.526 -0.542 0.000) 0.755 3.276 ( 0.983 0.964 0.000) 1.377 3.338 ( 1.470 1.478 0.000) 2.085 3.388 ( -2.380 0.451 0.000) 2.423 3.457 ( -2.861 0.536 0.000) 2.911 4.056 ( 3.695 -0.363 0.000) 3.713 4.074 ( 6.160 -0.373 0.000) 6.171 4.076 ( 3.337 -0.350 0.000) 3.356 4.494 ( 1.486 12.534 0.000) 12.622 4.537 ( 1.411 1.190 0.000) 1.846 4.608 ( -1.622 1.286 0.000) 2.070 4.613 ( 2.314 1.814 0.000) 2.940 4.650 ( 0.493 0.835 0.000) 0.970 4.670 ( 0.297 -1.195 0.000) 1.232 4.789 ( -6.411 -9.468 0.000) 11.435 5.000 ( 1.457 -2.436 0.000) 2.838 5.102 ( -0.661 -0.770 0.000) 1.015 5.127 ( -0.514 -0.310 0.000) 0.600 5.274 ( 0.157 3.256 0.000) 3.260 5.293 ( -0.473 1.287 0.000) 1.371 5.308 ( 0.056 -2.908 0.000) 2.908 5.399 ( -2.386 0.069 0.000) 2.387 5.414 ( 0.853 -0.656 0.000) 1.076 5.416 ( 2.134 -0.649 0.000) 2.230 5.429 ( -0.199 -0.298 0.000) 0.358 5.443 ( 0.718 2.263 0.000) 2.374 5.473 ( 1.420 -3.112 0.000) 3.421 5.516 ( 0.544 1.209 0.000) 1.326 5.575 ( -1.840 -0.193 0.000) 1.850 5.789 ( -1.146 -0.091 0.000) 1.150 5.888 ( 0.051 -0.280 0.000) 0.285 5.930 ( 1.711 2.906 0.000) 3.373 6.253 ( -2.391 0.991 0.000) 2.588 6.906 ( 0.283 0.033 0.000) 0.285 6.950 ( -0.644 1.572 0.000) 1.699 ======================= Grid point 2 (3/98) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 2.941 1.083 0.000) 3.134 0.744 ( 14.529 -3.126 0.000) 14.861 0.789 ( 3.087 -2.051 0.000) 3.706 0.800 ( 21.251 3.125 0.000) 21.479 1.241 ( 10.222 -0.796 0.000) 10.253 1.294 ( 5.119 -2.673 0.000) 5.774 1.434 ( 24.095 -9.222 0.000) 25.800 1.481 ( 15.455 4.722 0.000) 16.160 1.549 ( 18.345 -2.421 0.000) 18.504 1.696 ( 1.792 0.351 0.000) 1.826 1.749 ( 3.773 2.218 0.000) 4.377 1.901 ( 8.626 -0.018 0.000) 8.626 1.918 ( 5.277 3.936 0.000) 6.583 1.962 ( 6.964 -5.099 0.000) 8.631 2.053 ( 4.118 4.652 0.000) 6.212 2.113 ( -1.545 1.227 0.000) 1.973 2.142 ( 2.979 -2.374 0.000) 3.810 2.170 ( 3.770 -2.589 0.000) 4.573 2.194 ( 9.763 -4.261 0.000) 10.652 2.321 ( -0.881 -1.772 0.000) 1.979 2.415 ( 3.329 0.348 0.000) 3.347 2.444 ( 4.247 -1.802 0.000) 4.614 2.451 ( 6.182 1.719 0.000) 6.416 2.491 ( 5.298 -0.663 0.000) 5.339 2.619 ( 5.950 -0.375 0.000) 5.961 2.665 ( 3.198 3.734 0.000) 4.916 2.724 ( 4.796 -1.622 0.000) 5.063 2.726 ( 4.028 -2.386 0.000) 4.681 2.890 ( -0.860 2.222 0.000) 2.383 2.896 ( -1.597 -0.344 0.000) 1.633 2.971 ( 0.246 -5.381 0.000) 5.387 3.180 ( 0.971 0.365 0.000) 1.037 3.277 ( -0.516 1.865 0.000) 1.935 3.320 ( -4.402 0.684 0.000) 4.455 3.340 ( -1.102 3.425 0.000) 3.598 3.382 ( -4.120 -0.229 0.000) 4.126 4.147 ( 5.184 -0.867 0.000) 5.256 4.162 ( 5.158 -0.885 0.000) 5.233 4.207 ( 6.751 -0.537 0.000) 6.772 4.459 ( -0.603 2.939 0.000) 3.000 4.569 ( 2.548 0.985 0.000) 2.732 4.570 ( -1.556 0.544 0.000) 1.648 4.649 ( 2.221 0.573 0.000) 2.294 4.657 ( 0.922 1.078 0.000) 1.418 4.687 ( 0.724 -1.473 0.000) 1.641 4.714 ( -4.053 -1.442 0.000) 4.302 5.039 ( 1.495 -0.870 0.000) 1.730 5.105 ( 0.768 -0.220 0.000) 0.798 5.123 ( -0.139 -0.810 0.000) 0.821 5.266 ( 0.802 2.938 0.000) 3.046 5.266 ( -1.613 1.530 0.000) 2.223 5.326 ( 0.439 -2.149 0.000) 2.193 5.341 ( -3.166 -0.114 0.000) 3.168 5.390 ( -1.875 1.092 0.000) 2.169 5.420 ( -0.800 -0.528 0.000) 0.959 5.426 ( -0.219 -0.208 0.000) 0.302 5.496 ( 3.787 1.350 0.000) 4.020 5.517 ( 0.020 1.008 0.000) 1.008 5.537 ( -1.740 -0.336 0.000) 1.773 5.545 ( 3.134 -2.978 0.000) 4.323 5.791 ( 1.655 0.165 0.000) 1.664 5.896 ( 0.801 -0.261 0.000) 0.842 5.950 ( 1.670 2.026 0.000) 2.626 6.193 ( -2.853 1.443 0.000) 3.197 6.899 ( -1.209 0.158 0.000) 1.219 6.917 ( -2.268 0.773 0.000) 2.396 ======================= Grid point 3 (4/98) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 4.104 0.928 0.000) 4.208 0.833 ( 3.601 -0.726 0.000) 3.674 1.073 ( 14.424 -3.883 0.000) 14.937 1.169 ( 19.648 5.491 0.000) 20.401 1.414 ( 5.503 -3.814 0.000) 6.696 1.456 ( 11.517 0.256 0.000) 11.520 1.624 ( 9.577 5.761 0.000) 11.176 1.726 ( 2.308 1.752 0.000) 2.898 1.781 ( 2.820 3.207 0.000) 4.270 1.845 ( 10.703 -0.554 0.000) 10.717 1.877 ( 6.842 2.166 0.000) 7.177 1.978 ( 0.925 4.291 0.000) 4.390 1.990 ( -0.419 5.016 0.000) 5.034 2.091 ( 13.367 -1.122 0.000) 13.414 2.121 ( 1.903 -1.679 0.000) 2.538 2.167 ( 4.812 -1.095 0.000) 4.935 2.187 ( -0.151 -1.249 0.000) 1.258 2.216 ( 3.587 -1.294 0.000) 3.813 2.316 ( -1.049 -3.420 0.000) 3.578 2.380 ( 7.241 -6.670 0.000) 9.845 2.536 ( 3.223 3.084 0.000) 4.461 2.555 ( 7.337 -1.946 0.000) 7.590 2.622 ( 11.638 -4.121 0.000) 12.346 2.688 ( 11.472 -0.042 0.000) 11.472 2.700 ( 4.171 2.375 0.000) 4.800 2.724 ( 7.507 -1.053 0.000) 7.580 2.799 ( 1.880 -2.052 0.000) 2.783 2.824 ( 3.242 1.149 0.000) 3.440 2.880 ( 2.938 2.195 0.000) 3.667 2.905 ( 4.345 -3.317 0.000) 5.467 3.022 ( 1.289 -4.360 0.000) 4.546 3.194 ( 0.223 0.729 0.000) 0.762 3.218 ( -5.465 0.722 0.000) 5.512 3.228 ( -3.717 0.514 0.000) 3.753 3.253 ( -4.721 0.385 0.000) 4.736 3.311 ( -4.236 0.918 0.000) 4.335 4.253 ( 5.096 -1.542 0.000) 5.324 4.274 ( 5.693 -1.334 0.000) 5.848 4.319 ( 4.476 -0.460 0.000) 4.499 4.441 ( -0.261 0.730 0.000) 0.775 4.549 ( -0.527 0.014 0.000) 0.528 4.620 ( 2.969 0.290 0.000) 2.983 4.653 ( -1.729 0.274 0.000) 1.750 4.676 ( 1.462 0.615 0.000) 1.586 4.702 ( 2.706 0.038 0.000) 2.707 4.712 ( 1.135 -1.138 0.000) 1.607 5.061 ( 0.661 0.332 0.000) 0.740 5.126 ( 0.236 0.250 0.000) 0.343 5.131 ( 1.234 -0.540 0.000) 1.347 5.220 ( -1.820 0.757 0.000) 1.971 5.267 ( -0.111 1.257 0.000) 1.262 5.299 ( -0.141 1.273 0.000) 1.280 5.346 ( 0.553 -0.693 0.000) 0.887 5.350 ( -1.236 2.422 0.000) 2.719 5.403 ( -1.166 0.323 0.000) 1.210 5.424 ( 0.036 0.519 0.000) 0.520 5.520 ( 2.147 0.460 0.000) 2.196 5.536 ( 1.770 0.238 0.000) 1.786 5.549 ( 2.359 1.285 0.000) 2.686 5.597 ( 0.873 -1.579 0.000) 1.804 5.839 ( 3.108 0.856 0.000) 3.224 5.925 ( 2.120 -0.349 0.000) 2.149 5.968 ( 1.166 1.670 0.000) 2.037 6.138 ( -2.027 1.564 0.000) 2.560 6.852 ( -4.191 0.472 0.000) 4.217 6.853 ( -3.803 0.251 0.000) 3.811 ======================= Grid point 4 (5/98) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 3.864 0.450 0.000) 3.890 0.908 ( 3.534 -0.698 0.000) 3.602 1.338 ( 11.478 -2.334 0.000) 11.713 1.471 ( 14.074 6.786 0.000) 15.625 1.527 ( 5.245 -1.060 0.000) 5.351 1.651 ( 8.779 2.142 0.000) 9.037 1.737 ( 4.720 3.554 0.000) 5.909 1.754 ( 1.973 2.525 0.000) 3.204 1.849 ( 5.979 7.435 0.000) 9.541 1.902 ( -1.255 6.683 0.000) 6.800 1.927 ( -1.715 0.959 0.000) 1.964 1.933 ( 1.317 1.867 0.000) 2.285 2.006 ( 5.359 3.491 0.000) 6.396 2.132 ( -3.584 0.983 0.000) 3.717 2.151 ( -1.166 -1.517 0.000) 1.914 2.154 ( 0.511 -1.383 0.000) 1.474 2.242 ( -0.685 0.137 0.000) 0.698 2.326 ( 0.131 -4.152 0.000) 4.154 2.348 ( 6.592 -0.778 0.000) 6.638 2.529 ( -1.546 2.999 0.000) 3.374 2.601 ( -1.628 -2.058 0.000) 2.624 2.621 ( 9.186 -5.354 0.000) 10.632 2.694 ( -2.031 -3.489 0.000) 4.037 2.733 ( -1.428 1.606 0.000) 2.149 2.859 ( 2.255 2.277 0.000) 3.205 2.885 ( 8.817 -1.450 0.000) 8.935 2.921 ( 3.885 1.552 0.000) 4.184 2.959 ( 0.505 1.243 0.000) 1.342 2.961 ( 6.951 0.219 0.000) 6.954 3.045 ( 0.727 -1.364 0.000) 1.546 3.046 ( 12.038 -0.761 0.000) 12.062 3.158 ( -1.135 -1.821 0.000) 2.146 3.191 ( 3.740 -4.210 0.000) 5.631 3.205 ( 6.400 -3.662 0.000) 7.374 3.227 ( 0.875 -0.004 0.000) 0.875 3.233 ( -2.401 -1.806 0.000) 3.004 4.350 ( 3.715 -1.357 0.000) 3.955 4.379 ( 4.128 -0.764 0.000) 4.198 4.384 ( 2.383 -1.166 0.000) 2.653 4.441 ( 0.524 -0.311 0.000) 0.609 4.549 ( 0.651 0.142 0.000) 0.667 4.626 ( -0.430 0.643 0.000) 0.774 4.678 ( 2.416 -0.442 0.000) 2.456 4.698 ( 0.760 -0.099 0.000) 0.767 4.743 ( 1.603 -0.289 0.000) 1.629 4.753 ( 2.285 0.146 0.000) 2.290 5.061 ( -0.266 0.892 0.000) 0.931 5.092 ( -2.371 1.472 0.000) 2.791 5.172 ( 2.305 -0.647 0.000) 2.394 5.220 ( 1.484 -0.262 0.000) 1.507 5.258 ( 0.141 0.085 0.000) 0.165 5.302 ( 0.610 1.970 0.000) 2.062 5.314 ( -1.275 2.571 0.000) 2.870 5.355 ( 0.501 1.072 0.000) 1.183 5.372 ( -1.505 1.776 0.000) 2.328 5.414 ( -0.533 1.502 0.000) 1.593 5.573 ( 0.887 0.892 0.000) 1.257 5.602 ( -0.486 -0.198 0.000) 0.525 5.614 ( 7.719 0.276 0.000) 7.724 5.630 ( 8.604 0.002 0.000) 8.604 5.883 ( 2.010 1.793 0.000) 2.694 5.970 ( 1.971 -0.392 0.000) 2.010 5.978 ( 0.676 0.850 0.000) 1.086 6.097 ( -1.428 1.616 0.000) 2.157 6.745 ( -6.810 0.399 0.000) 6.821 6.753 ( -6.645 0.166 0.000) 6.647 ======================= Grid point 5 (6/98) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 2.593 0.183 0.000) 2.600 0.968 ( 2.364 -0.504 0.000) 2.417 1.533 ( 5.773 0.353 0.000) 5.784 1.533 ( 1.713 3.084 0.000) 3.528 1.664 ( 4.187 5.259 0.000) 6.722 1.728 ( 1.241 3.122 0.000) 3.360 1.772 ( 4.462 4.371 0.000) 6.247 1.782 ( 1.175 2.681 0.000) 2.927 1.871 ( -0.181 3.879 0.000) 3.884 1.892 ( 2.764 1.883 0.000) 3.344 1.893 ( 0.152 1.471 0.000) 1.479 1.973 ( 1.800 3.559 0.000) 3.988 2.062 ( 1.587 0.773 0.000) 1.766 2.093 ( 1.087 -0.545 0.000) 1.216 2.144 ( 0.953 0.519 0.000) 1.085 2.175 ( 1.645 -0.662 0.000) 1.773 2.222 ( -1.110 -0.263 0.000) 1.141 2.350 ( -0.737 -2.881 0.000) 2.973 2.410 ( 0.278 -1.150 0.000) 1.183 2.484 ( -0.475 1.683 0.000) 1.749 2.545 ( -5.063 -3.704 0.000) 6.273 2.674 ( -3.076 1.832 0.000) 3.580 2.684 ( -0.579 -1.467 0.000) 1.578 2.751 ( 2.870 -0.690 0.000) 2.952 2.825 ( -5.000 3.049 0.000) 5.857 2.856 ( -5.470 1.550 0.000) 5.686 2.875 ( -3.026 -0.577 0.000) 3.080 2.905 ( -2.316 -0.725 0.000) 2.427 3.047 ( 3.262 -0.257 0.000) 3.272 3.134 ( 0.881 -1.134 0.000) 1.436 3.150 ( 2.621 -2.176 0.000) 3.407 3.209 ( -1.574 -1.070 0.000) 1.903 3.333 ( 10.341 -2.786 0.000) 10.709 3.339 ( 11.620 -1.471 0.000) 11.713 3.405 ( 11.044 -2.890 0.000) 11.415 3.406 ( 9.960 -1.641 0.000) 10.094 4.385 ( 0.184 0.040 0.000) 0.189 4.413 ( 0.083 0.690 0.000) 0.695 4.446 ( 2.555 -2.450 0.000) 3.540 4.479 ( 2.221 -1.518 0.000) 2.691 4.574 ( 2.017 -0.102 0.000) 2.020 4.628 ( 0.890 0.201 0.000) 0.912 4.701 ( -0.468 -0.070 0.000) 0.473 4.708 ( 0.280 -0.341 0.000) 0.441 4.772 ( 1.405 0.147 0.000) 1.413 4.786 ( 1.479 0.087 0.000) 1.481 5.046 ( -0.699 1.150 0.000) 1.346 5.050 ( -0.992 1.138 0.000) 1.510 5.215 ( 1.338 -0.335 0.000) 1.379 5.252 ( 1.330 0.732 0.000) 1.518 5.271 ( 0.909 0.311 0.000) 0.961 5.280 ( -0.479 1.190 0.000) 1.283 5.301 ( 0.510 1.655 0.000) 1.731 5.331 ( -1.466 2.007 0.000) 2.485 5.355 ( 0.214 0.987 0.000) 1.010 5.394 ( -0.625 1.208 0.000) 1.360 5.577 ( -0.079 -0.036 0.000) 0.087 5.592 ( -0.244 0.730 0.000) 0.770 5.800 ( 10.412 0.138 0.000) 10.413 5.839 ( 12.743 0.257 0.000) 12.746 5.899 ( 1.566 2.162 0.000) 2.669 5.988 ( 0.963 -0.171 0.000) 0.978 5.994 ( 0.318 -0.035 0.000) 0.320 6.066 ( -0.907 1.230 0.000) 1.528 6.586 ( -9.555 0.373 0.000) 9.562 6.598 ( -9.541 0.047 0.000) 9.542 ======================= Grid point 6 (7/98) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.898 0.049 0.000) 0.899 1.001 ( 0.825 -0.206 0.000) 0.850 1.476 ( -1.595 3.169 0.000) 3.548 1.649 ( 3.472 -0.595 0.000) 3.523 1.677 ( 0.817 1.344 0.000) 1.573 1.715 ( -0.520 1.285 0.000) 1.387 1.759 ( -0.962 1.737 0.000) 1.985 1.821 ( -0.946 3.022 0.000) 3.167 1.836 ( 0.885 0.404 0.000) 0.973 1.906 ( 0.760 0.473 0.000) 0.896 1.918 ( 0.314 -1.394 0.000) 1.429 2.004 ( 2.888 4.021 0.000) 4.951 2.071 ( 0.022 -0.003 0.000) 0.022 2.118 ( 0.454 -1.700 0.000) 1.760 2.183 ( 1.650 1.696 0.000) 2.366 2.215 ( 0.568 -0.452 0.000) 0.726 2.225 ( 2.937 -0.180 0.000) 2.942 2.309 ( -3.315 -0.121 0.000) 3.317 2.410 ( -0.220 -0.625 0.000) 0.662 2.473 ( -3.221 -2.177 0.000) 3.888 2.508 ( 1.912 -0.914 0.000) 2.119 2.612 ( -2.010 1.609 0.000) 2.574 2.662 ( -1.581 0.013 0.000) 1.581 2.736 ( -2.402 0.535 0.000) 2.461 2.744 ( -1.828 1.025 0.000) 2.096 2.803 ( -0.086 -0.579 0.000) 0.585 2.832 ( -1.520 -0.067 0.000) 1.522 2.886 ( -0.281 -0.709 0.000) 0.763 3.108 ( 2.837 0.151 0.000) 2.841 3.157 ( 0.645 -0.581 0.000) 0.868 3.168 ( -1.810 -0.848 0.000) 1.998 3.190 ( 0.106 -0.813 0.000) 0.820 3.496 ( 4.171 -0.109 0.000) 4.172 3.497 ( 4.461 -0.648 0.000) 4.508 3.552 ( 4.035 -0.535 0.000) 4.071 3.574 ( 4.613 -1.195 0.000) 4.765 4.380 ( -0.339 0.065 0.000) 0.345 4.405 ( -0.339 0.294 0.000) 0.449 4.490 ( 0.970 -1.110 0.000) 1.474 4.515 ( 0.817 -0.557 0.000) 0.988 4.618 ( 1.928 -0.337 0.000) 1.957 4.653 ( 1.398 -0.307 0.000) 1.432 4.683 ( -1.168 0.210 0.000) 1.186 4.696 ( -1.128 0.253 0.000) 1.156 4.792 ( 0.647 0.071 0.000) 0.651 4.811 ( 0.892 -0.297 0.000) 0.940 5.026 ( -0.625 0.778 0.000) 0.999 5.040 ( 0.091 0.342 0.000) 0.354 5.208 ( -0.814 0.751 0.000) 1.107 5.261 ( 0.216 0.429 0.000) 0.480 5.281 ( 0.457 0.475 0.000) 0.659 5.291 ( 0.820 0.107 0.000) 0.827 5.304 ( 0.159 0.585 0.000) 0.606 5.306 ( -0.300 0.385 0.000) 0.488 5.354 ( 0.073 0.266 0.000) 0.276 5.384 ( -0.081 0.249 0.000) 0.262 5.574 ( -0.220 -0.126 0.000) 0.253 5.588 ( 0.061 0.383 0.000) 0.387 5.874 ( 0.214 0.644 0.000) 0.678 5.951 ( 1.081 0.522 0.000) 1.201 5.990 ( -0.301 0.164 0.000) 0.343 6.051 ( -0.299 0.379 0.000) 0.483 6.086 ( 11.817 -0.074 0.000) 11.817 6.097 ( 10.172 -0.229 0.000) 10.174 6.385 ( -10.474 0.311 0.000) 10.478 6.400 ( -10.147 -0.048 0.000) 10.147 ======================= Grid point 14 (8/98) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 3.041 -0.000 0.000) 3.041 0.725 ( 17.282 -0.000 0.000) 17.282 0.781 ( 0.869 -0.000 0.000) 0.869 0.823 ( 21.716 -0.000 0.000) 21.716 1.238 ( 10.397 -0.000 0.000) 10.397 1.281 ( 4.486 -0.000 0.000) 4.486 1.372 ( 30.507 -0.000 0.000) 30.507 1.517 ( 11.280 -0.000 0.000) 11.280 1.534 ( 19.552 -0.000 0.000) 19.552 1.697 ( 1.989 -0.000 0.000) 1.989 1.761 ( 4.658 -0.000 0.000) 4.658 1.901 ( 9.168 -0.000 0.000) 9.168 1.916 ( 12.028 -0.000 0.000) 12.028 1.955 ( 0.890 -0.000 0.000) 0.890 2.092 ( 3.084 -0.000 0.000) 3.084 2.114 ( 4.756 -0.000 0.000) 4.756 2.120 ( -1.877 0.000 0.000) 1.877 2.157 ( 1.927 -0.000 0.000) 1.927 2.169 ( 11.231 -0.000 0.000) 11.231 2.311 ( -1.517 0.000 0.000) 1.517 2.418 ( 3.859 -0.000 0.000) 3.859 2.433 ( 2.945 -0.000 0.000) 2.945 2.461 ( 7.578 -0.000 0.000) 7.578 2.486 ( 4.063 -0.000 0.000) 4.063 2.618 ( 6.437 -0.000 0.000) 6.437 2.700 ( 3.536 -0.000 0.000) 3.536 2.702 ( 3.923 -0.000 0.000) 3.923 2.713 ( 4.119 -0.000 0.000) 4.119 2.894 ( -1.760 0.000 0.000) 1.760 2.918 ( 1.991 -0.000 0.000) 1.991 2.924 ( -2.180 0.000 0.000) 2.180 3.182 ( 1.234 -0.000 0.000) 1.234 3.287 ( -0.662 0.000 0.000) 0.662 3.323 ( -4.501 0.000 0.000) 4.501 3.363 ( -0.049 0.000 0.000) 0.049 3.375 ( -5.664 0.000 0.000) 5.664 4.143 ( 5.117 -0.000 0.000) 5.117 4.158 ( 5.099 -0.000 0.000) 5.099 4.204 ( 6.825 -0.000 0.000) 6.825 4.476 ( -2.281 0.000 0.000) 2.281 4.573 ( -1.927 0.000 0.000) 1.927 4.574 ( 2.216 -0.000 0.000) 2.216 4.656 ( 1.938 -0.000 0.000) 1.938 4.666 ( 0.825 -0.000 0.000) 0.825 4.677 ( 0.849 -0.000 0.000) 0.849 4.702 ( -2.879 0.000 0.000) 2.879 5.034 ( 2.083 -0.000 0.000) 2.083 5.104 ( 1.021 -0.000 0.000) 1.021 5.118 ( -0.162 0.000 0.000) 0.162 5.275 ( -1.911 0.000 0.000) 1.911 5.291 ( 0.212 -0.000 0.000) 0.212 5.306 ( 0.958 -0.000 0.000) 0.958 5.340 ( -3.019 0.000 0.000) 3.019 5.395 ( -0.941 0.000 0.000) 0.941 5.418 ( -1.217 0.000 0.000) 1.217 5.425 ( -0.105 0.000 0.000) 0.105 5.512 ( 3.294 -0.000 0.000) 3.294 5.520 ( 4.077 -0.000 0.000) 4.077 5.524 ( 0.228 -0.000 0.000) 0.228 5.534 ( -1.957 0.000 0.000) 1.957 5.792 ( 1.769 -0.000 0.000) 1.769 5.894 ( 0.849 -0.000 0.000) 0.849 5.962 ( 1.305 -0.000 0.000) 1.305 6.201 ( -2.982 0.000 0.000) 2.982 6.900 ( -1.197 0.000 0.000) 1.197 6.921 ( -2.490 0.000 0.000) 2.490 ======================= Grid point 15 (9/98) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 3.810 0.361 0.000) 3.827 0.828 ( 3.572 -0.274 0.000) 3.583 1.045 ( 15.478 -1.363 0.000) 15.538 1.217 ( 20.066 2.674 0.000) 20.243 1.386 ( 6.012 -1.338 0.000) 6.159 1.459 ( 12.188 0.228 0.000) 12.190 1.670 ( 9.086 2.362 0.000) 9.388 1.739 ( 2.579 0.568 0.000) 2.641 1.780 ( 4.881 -1.189 0.000) 5.024 1.838 ( 10.322 -0.448 0.000) 10.332 1.935 ( 8.424 6.887 0.000) 10.881 1.998 ( 6.384 -3.658 0.000) 7.358 2.019 ( 3.406 2.540 0.000) 4.249 2.095 ( 3.996 1.776 0.000) 4.372 2.106 ( 0.979 -1.030 0.000) 1.421 2.156 ( 6.028 -0.854 0.000) 6.089 2.162 ( 2.404 -2.342 0.000) 3.357 2.217 ( 6.937 0.532 0.000) 6.958 2.286 ( -1.576 -1.684 0.000) 2.307 2.332 ( 3.508 -2.170 0.000) 4.125 2.535 ( 7.034 -1.220 0.000) 7.139 2.560 ( 2.618 1.301 0.000) 2.923 2.591 ( 10.763 -1.505 0.000) 10.867 2.677 ( 14.465 -0.957 0.000) 14.497 2.726 ( 4.779 0.479 0.000) 4.803 2.731 ( 2.576 2.618 0.000) 3.673 2.775 ( 3.898 -2.206 0.000) 4.479 2.838 ( 7.942 1.315 0.000) 8.051 2.875 ( 1.585 -2.143 0.000) 2.665 2.905 ( 1.939 2.054 0.000) 2.825 2.981 ( 2.714 -2.846 0.000) 3.932 3.199 ( -0.430 0.246 0.000) 0.495 3.221 ( -5.887 0.106 0.000) 5.888 3.233 ( -4.870 0.300 0.000) 4.880 3.255 ( -5.556 0.094 0.000) 5.557 3.317 ( -4.806 0.308 0.000) 4.816 4.242 ( 5.008 -0.567 0.000) 5.040 4.264 ( 5.750 -0.497 0.000) 5.772 4.315 ( 4.564 -0.143 0.000) 4.566 4.447 ( -0.725 0.235 0.000) 0.762 4.549 ( -0.524 0.001 0.000) 0.524 4.622 ( 2.714 0.053 0.000) 2.715 4.656 ( -1.702 0.161 0.000) 1.710 4.681 ( 0.950 0.295 0.000) 0.994 4.703 ( 2.816 0.024 0.000) 2.816 4.703 ( 1.654 -0.507 0.000) 1.730 5.064 ( 0.964 0.140 0.000) 0.974 5.126 ( 0.834 -0.139 0.000) 0.846 5.130 ( 1.296 0.065 0.000) 1.297 5.226 ( -2.493 0.277 0.000) 2.508 5.274 ( -1.484 0.209 0.000) 1.498 5.316 ( 0.702 1.481 0.000) 1.639 5.337 ( 1.506 -1.039 0.000) 1.830 5.370 ( -1.339 1.129 0.000) 1.752 5.403 ( -0.589 -0.158 0.000) 0.610 5.428 ( 0.425 0.176 0.000) 0.460 5.524 ( 1.919 0.216 0.000) 1.931 5.537 ( 1.756 0.072 0.000) 1.757 5.563 ( 2.301 1.337 0.000) 2.661 5.580 ( 1.556 -1.449 0.000) 2.126 5.845 ( 3.323 0.258 0.000) 3.333 5.923 ( 2.089 -0.124 0.000) 2.092 5.981 ( 0.808 0.667 0.000) 1.048 6.149 ( -2.159 0.569 0.000) 2.233 6.854 ( -3.742 0.084 0.000) 3.743 6.856 ( -4.395 0.193 0.000) 4.400 ======================= Grid point 16 (10/98) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 3.659 0.272 0.000) 3.670 0.902 ( 3.671 -0.398 0.000) 3.692 1.319 ( 12.370 -1.212 0.000) 12.429 1.508 ( 5.638 -0.563 0.000) 5.666 1.541 ( 15.225 4.162 0.000) 15.784 1.671 ( 9.686 1.436 0.000) 9.792 1.760 ( 2.716 0.811 0.000) 2.835 1.774 ( 1.625 1.236 0.000) 2.042 1.903 ( 7.506 2.677 0.000) 7.969 1.925 ( -0.364 -0.589 0.000) 0.692 1.959 ( 1.676 5.354 0.000) 5.610 1.994 ( -2.177 7.034 0.000) 7.363 2.050 ( 2.694 3.580 0.000) 4.480 2.118 ( -1.040 -4.116 0.000) 4.246 2.133 ( -4.180 -1.166 0.000) 4.339 2.149 ( 2.119 0.486 0.000) 2.174 2.243 ( 0.323 0.091 0.000) 0.336 2.280 ( -0.254 -4.125 0.000) 4.133 2.357 ( 5.287 2.099 0.000) 5.688 2.553 ( 9.283 -5.172 0.000) 10.627 2.555 ( -1.751 1.795 0.000) 2.508 2.584 ( 0.188 -2.198 0.000) 2.206 2.659 ( -1.241 -2.631 0.000) 2.909 2.743 ( -1.853 0.434 0.000) 1.903 2.871 ( 9.757 -0.984 0.000) 9.807 2.877 ( 1.760 1.028 0.000) 2.039 2.939 ( 5.140 0.967 0.000) 5.230 2.979 ( 7.229 3.018 0.000) 7.834 2.982 ( 6.540 2.725 0.000) 7.085 3.032 ( 1.672 -1.179 0.000) 2.046 3.039 ( 9.819 -0.725 0.000) 9.846 3.136 ( -4.223 -2.225 0.000) 4.773 3.147 ( 0.429 -3.750 0.000) 3.775 3.172 ( 6.954 -2.132 0.000) 7.274 3.214 ( -2.868 -1.201 0.000) 3.109 3.228 ( 0.073 0.065 0.000) 0.098 4.336 ( 4.242 -1.045 0.000) 4.368 4.371 ( 4.797 -0.617 0.000) 4.837 4.377 ( 1.853 -0.367 0.000) 1.889 4.439 ( -0.157 -0.098 0.000) 0.185 4.551 ( 0.801 0.215 0.000) 0.829 4.633 ( -0.399 0.510 0.000) 0.647 4.674 ( 2.335 -0.275 0.000) 2.351 4.697 ( 0.613 -0.130 0.000) 0.627 4.740 ( 1.928 -0.140 0.000) 1.933 4.755 ( 2.370 0.148 0.000) 2.375 5.069 ( -0.154 0.554 0.000) 0.575 5.109 ( -2.213 1.441 0.000) 2.640 5.163 ( 2.043 -0.950 0.000) 2.253 5.218 ( 1.619 -0.092 0.000) 1.621 5.259 ( 0.110 0.075 0.000) 0.134 5.315 ( -0.037 0.605 0.000) 0.606 5.334 ( -1.764 1.251 0.000) 2.162 5.367 ( 1.104 1.013 0.000) 1.498 5.387 ( -1.062 1.005 0.000) 1.462 5.426 ( -0.454 0.767 0.000) 0.891 5.581 ( 0.289 0.631 0.000) 0.694 5.600 ( 0.275 -0.188 0.000) 0.333 5.617 ( 7.470 0.216 0.000) 7.473 5.629 ( 8.766 -0.049 0.000) 8.767 5.898 ( 2.315 0.961 0.000) 2.507 5.967 ( 2.082 -0.211 0.000) 2.093 5.986 ( 0.119 0.559 0.000) 0.571 6.111 ( -1.583 0.907 0.000) 1.825 6.748 ( -6.859 0.241 0.000) 6.864 6.755 ( -6.705 0.089 0.000) 6.706 ======================= Grid point 17 (11/98) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 2.500 0.143 0.000) 2.504 0.964 ( 2.500 -0.341 0.000) 2.523 1.523 ( 8.455 -0.648 0.000) 8.480 1.573 ( 1.287 2.921 0.000) 3.192 1.717 ( 4.100 4.399 0.000) 6.013 1.760 ( 0.554 2.817 0.000) 2.871 1.803 ( 2.202 0.783 0.000) 2.337 1.805 ( 1.868 1.624 0.000) 2.475 1.887 ( -1.598 2.567 0.000) 3.024 1.899 ( -1.079 -0.302 0.000) 1.120 1.949 ( -1.218 5.997 0.000) 6.119 2.010 ( 1.839 1.866 0.000) 2.620 2.071 ( 0.523 0.665 0.000) 0.846 2.080 ( 0.032 -1.243 0.000) 1.243 2.146 ( 3.628 -0.363 0.000) 3.646 2.182 ( 2.726 2.113 0.000) 3.449 2.224 ( -1.253 0.646 0.000) 1.410 2.314 ( 0.681 -3.748 0.000) 3.809 2.404 ( 0.320 -0.089 0.000) 0.332 2.500 ( -5.448 -4.179 0.000) 6.866 2.501 ( -2.061 1.445 0.000) 2.517 2.666 ( 0.674 -1.596 0.000) 1.733 2.684 ( -3.493 0.191 0.000) 3.498 2.738 ( 4.647 -1.496 0.000) 4.882 2.863 ( -7.033 3.206 0.000) 7.729 2.870 ( -2.019 0.150 0.000) 2.025 2.878 ( -5.570 1.697 0.000) 5.822 2.902 ( -3.918 0.688 0.000) 3.978 3.045 ( 3.402 0.069 0.000) 3.403 3.117 ( 0.711 -1.918 0.000) 2.045 3.126 ( 2.372 -2.134 0.000) 3.190 3.196 ( -0.632 -1.191 0.000) 1.348 3.308 ( 11.595 -1.798 0.000) 11.733 3.327 ( 13.067 -0.772 0.000) 13.090 3.377 ( 11.566 -2.175 0.000) 11.768 3.390 ( 10.621 -1.292 0.000) 10.699 4.385 ( 0.171 0.022 0.000) 0.173 4.420 ( -0.126 0.577 0.000) 0.591 4.422 ( 2.898 -1.890 0.000) 3.460 4.463 ( 2.559 -1.463 0.000) 2.948 4.577 ( 2.034 0.385 0.000) 2.070 4.633 ( 0.799 0.632 0.000) 1.019 4.701 ( -0.234 0.037 0.000) 0.237 4.706 ( 0.649 -0.157 0.000) 0.667 4.773 ( 1.340 -0.063 0.000) 1.342 4.787 ( 1.153 0.031 0.000) 1.154 5.057 ( -0.726 0.810 0.000) 1.088 5.063 ( -1.376 1.200 0.000) 1.826 5.207 ( 1.666 -0.933 0.000) 1.910 5.257 ( 2.010 0.329 0.000) 2.036 5.272 ( 1.026 0.067 0.000) 1.029 5.292 ( -1.706 0.972 0.000) 1.963 5.314 ( 0.299 0.809 0.000) 0.863 5.351 ( -1.863 1.568 0.000) 2.435 5.366 ( -0.397 0.854 0.000) 0.942 5.406 ( -1.067 0.924 0.000) 1.412 5.577 ( -0.408 -0.092 0.000) 0.419 5.599 ( -0.113 0.608 0.000) 0.618 5.802 ( 10.471 0.105 0.000) 10.472 5.841 ( 12.790 0.110 0.000) 12.790 5.921 ( 1.586 1.885 0.000) 2.463 5.986 ( 0.280 -0.343 0.000) 0.442 5.993 ( 0.530 -0.025 0.000) 0.531 6.078 ( -1.292 0.900 0.000) 1.575 6.590 ( -9.553 0.309 0.000) 9.558 6.598 ( -9.632 -0.005 0.000) 9.632 ======================= Grid point 18 (12/98) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.847 0.055 0.000) 0.848 0.999 ( 1.016 -0.179 0.000) 1.032 1.522 ( -3.166 5.212 0.000) 6.098 1.643 ( 3.670 -0.433 0.000) 3.695 1.698 ( -0.787 2.766 0.000) 2.876 1.731 ( -1.570 1.531 0.000) 2.193 1.780 ( -2.032 2.163 0.000) 2.968 1.834 ( -0.747 -0.737 0.000) 1.049 1.852 ( -2.976 2.612 0.000) 3.960 1.899 ( -0.383 -1.664 0.000) 1.707 1.901 ( 1.172 -1.560 0.000) 1.951 1.995 ( -3.898 -4.994 0.000) 6.336 2.072 ( 0.050 0.137 0.000) 0.146 2.132 ( 3.363 2.974 0.000) 4.489 2.199 ( -0.298 1.325 0.000) 1.358 2.214 ( 1.877 0.458 0.000) 1.932 2.232 ( 3.209 1.507 0.000) 3.546 2.308 ( -2.344 -0.238 0.000) 2.357 2.408 ( 0.601 0.134 0.000) 0.615 2.449 ( -0.986 -2.245 0.000) 2.452 2.495 ( 1.218 -1.508 0.000) 1.938 2.620 ( -3.083 -0.022 0.000) 3.083 2.661 ( -1.640 -0.163 0.000) 1.649 2.752 ( -2.519 2.355 0.000) 3.449 2.760 ( -2.163 1.603 0.000) 2.692 2.799 ( 0.315 0.072 0.000) 0.323 2.829 ( -1.687 -0.531 0.000) 1.769 2.875 ( 0.108 -1.360 0.000) 1.365 3.110 ( 3.100 0.250 0.000) 3.110 3.149 ( 1.184 -0.920 0.000) 1.500 3.158 ( -0.904 -0.871 0.000) 1.255 3.182 ( 0.546 -0.682 0.000) 0.874 3.494 ( 5.569 0.172 0.000) 5.572 3.499 ( 4.662 0.589 0.000) 4.699 3.544 ( 4.451 -0.858 0.000) 4.533 3.558 ( 5.501 -1.728 0.000) 5.766 4.378 ( -0.553 -0.299 0.000) 0.629 4.406 ( -0.766 -0.039 0.000) 0.767 4.479 ( 2.026 -1.012 0.000) 2.264 4.508 ( 1.373 -0.662 0.000) 1.524 4.619 ( 2.372 0.512 0.000) 2.427 4.655 ( 1.692 0.565 0.000) 1.784 4.686 ( -1.162 0.324 0.000) 1.206 4.700 ( -0.947 0.450 0.000) 1.049 4.791 ( 0.404 -0.320 0.000) 0.515 4.806 ( 0.704 -0.696 0.000) 0.990 5.033 ( -1.167 0.672 0.000) 1.346 5.045 ( -0.342 0.412 0.000) 0.535 5.213 ( -1.220 0.094 0.000) 1.223 5.265 ( -0.104 0.427 0.000) 0.439 5.284 ( 0.100 0.195 0.000) 0.220 5.292 ( 0.757 0.040 0.000) 0.758 5.312 ( -1.107 0.525 0.000) 1.225 5.312 ( -0.213 0.929 0.000) 0.953 5.354 ( -0.461 -0.268 0.000) 0.534 5.386 ( -0.558 0.135 0.000) 0.574 5.571 ( -0.236 -0.296 0.000) 0.379 5.593 ( -0.200 0.494 0.000) 0.532 5.880 ( -0.259 0.577 0.000) 0.633 5.957 ( 0.299 0.568 0.000) 0.642 5.991 ( -0.418 0.097 0.000) 0.429 6.055 ( -0.695 0.405 0.000) 0.804 6.085 ( 11.651 -0.030 0.000) 11.651 6.095 ( 10.637 -0.254 0.000) 10.640 6.389 ( -10.607 0.298 0.000) 10.612 6.400 ( -10.135 -0.077 0.000) 10.135 ======================= Grid point 19 (13/98) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.951 -0.030 0.000) 0.951 1.003 ( -0.598 0.183 0.000) 0.625 1.459 ( -1.046 0.121 0.000) 1.053 1.655 ( -2.858 0.498 0.000) 2.902 1.668 ( -2.314 -0.436 0.000) 2.355 1.705 ( -0.796 -0.657 0.000) 1.032 1.744 ( -0.621 -0.962 0.000) 1.145 1.789 ( -1.358 -2.815 0.000) 3.126 1.822 ( -4.181 -2.711 0.000) 4.983 1.890 ( -1.784 -2.474 0.000) 3.050 1.922 ( 0.234 -2.291 0.000) 2.303 1.948 ( -2.847 -3.140 0.000) 4.238 2.073 ( 0.050 0.351 0.000) 0.354 2.141 ( -0.203 0.852 0.000) 0.876 2.171 ( -3.557 0.234 0.000) 3.565 2.221 ( 0.203 0.758 0.000) 0.785 2.234 ( -2.320 1.341 0.000) 2.679 2.313 ( 3.660 0.566 0.000) 3.704 2.419 ( 0.874 0.918 0.000) 1.267 2.491 ( 4.421 1.031 0.000) 4.540 2.513 ( -1.546 -0.158 0.000) 1.554 2.587 ( 0.213 -2.806 0.000) 2.814 2.661 ( 1.834 -0.090 0.000) 1.836 2.740 ( 0.797 0.207 0.000) 0.824 2.741 ( 2.066 1.308 0.000) 2.445 2.811 ( 0.962 0.976 0.000) 1.370 2.830 ( 1.596 -0.406 0.000) 1.647 2.890 ( 0.867 0.040 0.000) 0.868 3.107 ( -2.714 -0.050 0.000) 2.714 3.161 ( -0.232 0.108 0.000) 0.256 3.176 ( 2.603 0.606 0.000) 2.672 3.199 ( 0.474 0.816 0.000) 0.944 3.502 ( -3.780 0.819 0.000) 3.867 3.508 ( -3.495 1.371 0.000) 3.754 3.556 ( -3.518 0.098 0.000) 3.520 3.583 ( -3.474 0.341 0.000) 3.491 4.376 ( 0.172 -0.525 0.000) 0.553 4.399 ( -0.060 -0.653 0.000) 0.655 4.502 ( 0.128 0.909 0.000) 0.918 4.520 ( -0.329 0.271 0.000) 0.426 4.628 ( -1.471 1.521 0.000) 2.116 4.663 ( -1.139 1.492 0.000) 1.877 4.681 ( 1.262 -0.115 0.000) 1.267 4.695 ( 1.380 0.007 0.000) 1.380 4.789 ( -0.863 -0.580 0.000) 1.040 4.811 ( -0.776 -0.403 0.000) 0.875 5.017 ( -0.156 -0.692 0.000) 0.710 5.037 ( -0.402 -0.218 0.000) 0.457 5.197 ( -0.208 -1.232 0.000) 1.249 5.257 ( -0.575 -0.226 0.000) 0.618 5.274 ( -1.141 -0.770 0.000) 1.376 5.288 ( -0.875 -0.563 0.000) 1.040 5.300 ( -0.624 0.006 0.000) 0.624 5.305 ( -0.232 0.084 0.000) 0.247 5.349 ( -0.501 -0.762 0.000) 0.912 5.380 ( -0.214 -0.334 0.000) 0.397 5.572 ( 0.247 -0.312 0.000) 0.398 5.586 ( -0.363 0.073 0.000) 0.370 5.867 ( -0.819 -0.535 0.000) 0.978 5.946 ( -1.759 -0.354 0.000) 1.794 5.988 ( 0.160 -0.213 0.000) 0.266 6.047 ( -0.110 -0.240 0.000) 0.264 6.087 ( -11.921 0.087 0.000) 11.922 6.099 ( -9.827 0.170 0.000) 9.829 6.382 ( 10.374 -0.269 0.000) 10.378 6.401 ( 10.120 0.025 0.000) 10.120 ======================= Grid point 20 (14/98) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -2.701 -0.171 0.000) 2.706 0.974 ( -2.193 0.566 0.000) 2.264 1.480 ( 0.684 -5.023 0.000) 5.070 1.547 ( -7.257 1.603 0.000) 7.432 1.607 ( -6.712 -5.513 0.000) 8.686 1.695 ( -1.834 -2.888 0.000) 3.422 1.719 ( -5.678 -5.146 0.000) 7.663 1.750 ( -1.309 -3.236 0.000) 3.491 1.810 ( -0.860 -5.933 0.000) 5.995 1.867 ( -1.366 -3.220 0.000) 3.498 1.890 ( -4.704 -0.211 0.000) 4.709 1.952 ( 1.052 -0.370 0.000) 1.115 2.059 ( -1.690 0.325 0.000) 1.721 2.086 ( -3.481 -1.639 0.000) 3.848 2.141 ( 0.566 -0.001 0.000) 0.566 2.192 ( -0.795 2.214 0.000) 2.353 2.227 ( 0.816 0.634 0.000) 1.033 2.376 ( 2.406 1.975 0.000) 3.113 2.427 ( 0.124 1.787 0.000) 1.791 2.467 ( -1.664 -1.520 0.000) 2.254 2.573 ( 3.935 1.329 0.000) 4.153 2.643 ( 2.769 -3.835 0.000) 4.730 2.696 ( 1.513 0.890 0.000) 1.755 2.753 ( -0.926 -0.172 0.000) 0.941 2.802 ( 3.604 -1.222 0.000) 3.805 2.852 ( 4.259 0.621 0.000) 4.304 2.881 ( 3.550 0.522 0.000) 3.588 2.914 ( 2.185 0.989 0.000) 2.398 3.050 ( -2.935 0.295 0.000) 2.950 3.141 ( -1.542 0.289 0.000) 1.569 3.173 ( -2.576 2.107 0.000) 3.328 3.219 ( 1.704 0.838 0.000) 1.899 3.357 ( -10.219 1.794 0.000) 10.375 3.365 ( -9.059 2.983 0.000) 9.537 3.424 ( -9.084 1.544 0.000) 9.214 3.436 ( -10.140 2.820 0.000) 10.525 4.383 ( -0.075 -0.349 0.000) 0.357 4.404 ( -0.184 -0.951 0.000) 0.969 4.472 ( -2.163 2.358 0.000) 3.200 4.494 ( -1.920 1.101 0.000) 2.213 4.582 ( -2.017 1.369 0.000) 2.438 4.631 ( -1.113 0.889 0.000) 1.424 4.703 ( 0.616 0.184 0.000) 0.643 4.713 ( 0.117 0.641 0.000) 0.652 4.769 ( -1.327 -0.467 0.000) 1.406 4.785 ( -1.692 -0.151 0.000) 1.699 5.032 ( 0.745 -1.364 0.000) 1.554 5.040 ( 0.762 -0.709 0.000) 1.041 5.210 ( -0.376 -1.544 0.000) 1.589 5.240 ( -1.278 -1.246 0.000) 1.785 5.262 ( -0.675 -1.691 0.000) 1.820 5.272 ( -0.990 -0.254 0.000) 1.022 5.283 ( -1.493 -1.218 0.000) 1.927 5.310 ( 0.836 -1.819 0.000) 2.002 5.345 ( -0.317 -0.949 0.000) 1.000 5.381 ( 0.002 -1.110 0.000) 1.110 5.577 ( -0.551 -0.193 0.000) 0.584 5.585 ( 0.704 -0.464 0.000) 0.843 5.799 ( -10.368 -0.116 0.000) 10.369 5.835 ( -12.090 -0.614 0.000) 12.106 5.878 ( -2.413 -1.717 0.000) 2.962 5.989 ( -1.522 0.034 0.000) 1.522 5.994 ( 0.008 0.019 0.000) 0.021 6.053 ( 0.356 -1.243 0.000) 1.293 6.582 ( 9.536 -0.359 0.000) 9.542 6.597 ( 9.460 -0.075 0.000) 9.460 ======================= Grid point 21 (15/98) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -4.122 -0.495 0.000) 4.151 0.916 ( -3.380 0.831 0.000) 3.481 1.368 ( -10.141 3.298 0.000) 10.664 1.394 ( -14.369 -7.268 0.000) 16.102 1.532 ( -1.495 -0.559 0.000) 1.596 1.628 ( -7.466 -2.006 0.000) 7.731 1.689 ( -4.620 -5.097 0.000) 6.880 1.721 ( -2.383 -3.687 0.000) 4.390 1.762 ( -6.817 -8.308 0.000) 10.747 1.832 ( -0.411 -5.117 0.000) 5.133 1.890 ( 0.493 -5.326 0.000) 5.349 1.935 ( -1.567 1.176 0.000) 1.959 1.995 ( -4.631 1.096 0.000) 4.759 2.111 ( 3.194 -2.915 0.000) 4.324 2.157 ( 0.704 -0.098 0.000) 0.711 2.175 ( -0.073 2.440 0.000) 2.441 2.241 ( 0.395 -0.062 0.000) 0.400 2.365 ( -0.544 2.990 0.000) 3.040 2.371 ( -5.349 3.115 0.000) 6.190 2.494 ( 1.307 -3.373 0.000) 3.617 2.605 ( -0.285 -0.995 0.000) 1.036 2.677 ( -6.201 4.527 0.000) 7.678 2.706 ( 0.996 -3.346 0.000) 3.491 2.727 ( 2.693 2.368 0.000) 3.587 2.834 ( -1.736 -2.083 0.000) 2.712 2.892 ( -4.524 0.316 0.000) 4.535 2.926 ( -2.502 1.936 0.000) 3.163 2.954 ( 1.643 0.159 0.000) 1.651 2.971 ( -8.763 2.043 0.000) 8.998 3.056 ( -10.155 0.995 0.000) 10.204 3.061 ( -0.982 1.548 0.000) 1.833 3.175 ( -2.880 1.279 0.000) 3.151 3.225 ( -2.204 -0.060 0.000) 2.205 3.235 ( -4.746 3.657 0.000) 5.992 3.245 ( -5.814 3.631 0.000) 6.855 3.253 ( 0.451 1.961 0.000) 2.012 4.361 ( -2.680 0.633 0.000) 2.754 4.384 ( -2.956 0.110 0.000) 2.958 4.403 ( -3.321 2.321 0.000) 4.052 4.447 ( -1.645 0.796 0.000) 1.827 4.550 ( -0.644 0.460 0.000) 0.792 4.621 ( 0.243 -0.306 0.000) 0.391 4.683 ( -2.763 0.304 0.000) 2.780 4.697 ( -1.207 -0.281 0.000) 1.239 4.747 ( -0.937 0.572 0.000) 1.098 4.753 ( -1.941 0.294 0.000) 1.963 5.051 ( 0.489 -0.922 0.000) 1.044 5.079 ( 2.635 -0.963 0.000) 2.805 5.176 ( -2.409 0.203 0.000) 2.418 5.223 ( -1.389 0.168 0.000) 1.399 5.257 ( -0.463 -0.165 0.000) 0.491 5.272 ( -0.809 -3.447 0.000) 3.541 5.281 ( 0.809 -3.424 0.000) 3.518 5.347 ( 0.105 -0.430 0.000) 0.443 5.349 ( 1.802 -2.339 0.000) 2.953 5.395 ( 0.512 -2.085 0.000) 2.147 5.563 ( -1.223 -0.867 0.000) 1.499 5.604 ( 1.064 0.188 0.000) 1.080 5.611 ( -7.841 -0.217 0.000) 7.844 5.629 ( -8.512 -0.097 0.000) 8.513 5.861 ( -1.791 -2.258 0.000) 2.882 5.969 ( -1.285 -0.850 0.000) 1.541 5.975 ( -1.825 0.533 0.000) 1.901 6.077 ( 1.211 -1.995 0.000) 2.334 6.740 ( 6.743 -0.447 0.000) 6.758 6.751 ( 6.573 -0.205 0.000) 6.576 ======================= Grid point 22 (16/98) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -4.566 -1.158 0.000) 4.710 0.843 ( -3.634 0.956 0.000) 3.758 1.114 ( -17.563 -4.182 0.000) 18.054 1.126 ( -12.605 5.866 0.000) 13.903 1.457 ( -10.101 0.570 0.000) 10.117 1.465 ( -4.521 5.420 0.000) 7.058 1.555 ( -10.077 -6.783 0.000) 12.147 1.701 ( -1.917 -3.079 0.000) 3.627 1.711 ( -3.514 -8.039 0.000) 8.773 1.838 ( -10.244 -2.404 0.000) 10.522 1.882 ( -3.309 1.204 0.000) 3.521 1.912 ( 2.126 -8.664 0.000) 8.921 1.944 ( 0.495 -1.374 0.000) 1.461 2.103 ( -13.458 1.016 0.000) 13.496 2.141 ( -2.614 2.031 0.000) 3.311 2.173 ( -0.254 -0.495 0.000) 0.556 2.192 ( -2.014 0.368 0.000) 2.048 2.247 ( -2.421 3.830 0.000) 4.531 2.351 ( 0.555 2.689 0.000) 2.745 2.467 ( -9.448 8.909 0.000) 12.986 2.498 ( -3.532 -3.766 0.000) 5.163 2.563 ( -6.655 -0.846 0.000) 6.708 2.670 ( -12.405 3.981 0.000) 13.028 2.672 ( -7.158 -2.374 0.000) 7.541 2.699 ( -5.318 3.351 0.000) 6.286 2.755 ( -10.399 4.060 0.000) 11.163 2.814 ( -1.367 -0.650 0.000) 1.514 2.815 ( -0.429 0.639 0.000) 0.769 2.864 ( -4.447 -0.582 0.000) 4.485 2.943 ( -4.070 3.597 0.000) 5.431 3.068 ( 0.405 4.041 0.000) 4.061 3.183 ( -1.357 -1.170 0.000) 1.791 3.203 ( 3.789 -1.921 0.000) 4.248 3.225 ( 2.524 -0.166 0.000) 2.529 3.246 ( 2.621 -0.987 0.000) 2.801 3.298 ( 3.557 -1.388 0.000) 3.819 4.273 ( -5.142 2.002 0.000) 5.518 4.291 ( -5.528 1.721 0.000) 5.790 4.326 ( -4.416 0.922 0.000) 4.511 4.431 ( -0.597 -1.091 0.000) 1.243 4.548 ( 0.409 -0.019 0.000) 0.409 4.615 ( -3.377 -0.582 0.000) 3.427 4.649 ( 1.824 -0.610 0.000) 1.924 4.668 ( -1.919 -0.940 0.000) 2.136 4.704 ( -2.739 0.404 0.000) 2.769 4.726 ( -0.696 1.472 0.000) 1.628 5.058 ( -0.143 -0.291 0.000) 0.324 5.122 ( -0.053 -0.335 0.000) 0.339 5.140 ( -0.255 0.946 0.000) 0.980 5.210 ( 0.630 -1.018 0.000) 1.197 5.245 ( -1.655 -2.768 0.000) 3.225 5.292 ( 2.065 -0.110 0.000) 2.068 5.321 ( 1.595 -2.909 0.000) 3.317 5.351 ( 0.119 0.242 0.000) 0.270 5.395 ( 1.876 -1.119 0.000) 2.185 5.417 ( 0.716 -0.888 0.000) 1.140 5.516 ( -2.392 -0.331 0.000) 2.415 5.532 ( -1.887 -0.385 0.000) 1.926 5.536 ( -2.313 -1.131 0.000) 2.575 5.614 ( 0.041 1.511 0.000) 1.512 5.826 ( -2.827 -1.603 0.000) 3.250 5.930 ( -2.177 0.511 0.000) 2.236 5.948 ( -1.646 -1.892 0.000) 2.507 6.117 ( 1.821 -2.183 0.000) 2.843 6.845 ( 4.106 -0.634 0.000) 4.155 6.850 ( 3.687 -0.294 0.000) 3.699 ======================= Grid point 23 (17/98) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -3.090 -1.933 0.000) 3.644 0.769 ( -5.519 1.325 0.000) 5.676 0.783 ( -17.777 0.983 0.000) 17.804 0.843 ( -10.410 8.004 0.000) 13.132 1.259 ( -9.420 2.567 0.000) 9.764 1.333 ( -5.845 3.465 0.000) 6.795 1.402 ( -9.801 -5.603 0.000) 11.289 1.571 ( -23.057 11.188 0.000) 25.628 1.579 ( -15.281 2.784 0.000) 15.532 1.689 ( -1.400 -0.954 0.000) 1.694 1.723 ( -3.656 -1.240 0.000) 3.860 1.863 ( -5.921 -5.332 0.000) 7.969 1.902 ( -7.161 0.215 0.000) 7.164 1.980 ( -0.219 -5.510 0.000) 5.515 2.043 ( -9.088 5.118 0.000) 10.430 2.095 ( -0.055 -2.075 0.000) 2.076 2.160 ( -3.705 0.999 0.000) 3.837 2.203 ( -1.135 3.033 0.000) 3.239 2.257 ( -10.603 7.244 0.000) 12.841 2.347 ( 0.156 2.774 0.000) 2.778 2.414 ( -3.684 0.230 0.000) 3.691 2.426 ( -4.675 -2.687 0.000) 5.392 2.471 ( -5.841 3.346 0.000) 6.731 2.499 ( -6.550 0.857 0.000) 6.606 2.627 ( -3.575 -3.021 0.000) 4.681 2.630 ( -5.000 1.826 0.000) 5.323 2.739 ( -5.252 1.389 0.000) 5.432 2.758 ( -3.336 3.071 0.000) 4.534 2.868 ( 1.235 -2.055 0.000) 2.398 2.904 ( 0.990 1.307 0.000) 1.640 3.030 ( -0.741 5.285 0.000) 5.337 3.174 ( -0.188 -0.829 0.000) 0.851 3.249 ( 0.056 -3.381 0.000) 3.382 3.294 ( 0.078 -5.012 0.000) 5.013 3.308 ( 4.098 -1.576 0.000) 4.390 3.377 ( 3.762 -1.083 0.000) 3.915 4.161 ( -5.351 1.581 0.000) 5.580 4.176 ( -5.295 1.570 0.000) 5.523 4.215 ( -6.574 0.966 0.000) 6.645 4.418 ( -2.768 -4.308 0.000) 5.121 4.555 ( -3.134 -1.438 0.000) 3.448 4.562 ( 0.788 -0.829 0.000) 1.144 4.644 ( -1.085 -1.339 0.000) 1.724 4.650 ( -2.021 0.576 0.000) 2.101 4.705 ( -0.614 1.748 0.000) 1.853 4.723 ( 5.290 0.139 0.000) 5.292 5.051 ( -0.181 1.283 0.000) 1.296 5.108 ( -0.276 0.339 0.000) 0.437 5.135 ( 0.057 1.320 0.000) 1.321 5.234 ( -0.956 -2.975 0.000) 3.125 5.246 ( 1.305 -2.097 0.000) 2.470 5.339 ( 1.347 0.309 0.000) 1.382 5.351 ( 1.844 1.725 0.000) 2.525 5.374 ( 2.477 -1.808 0.000) 3.066 5.428 ( 1.261 0.649 0.000) 1.418 5.429 ( 0.472 0.273 0.000) 0.546 5.485 ( -3.444 -0.716 0.000) 3.518 5.505 ( -0.129 -1.027 0.000) 1.035 5.539 ( 1.880 0.091 0.000) 1.882 5.579 ( -2.254 3.310 0.000) 4.004 5.786 ( -1.547 -0.923 0.000) 1.801 5.900 ( -0.670 0.461 0.000) 0.814 5.925 ( -2.040 -2.404 0.000) 3.153 6.171 ( 2.524 -2.465 0.000) 3.528 6.897 ( 1.245 -0.264 0.000) 1.273 6.906 ( 1.879 -1.040 0.000) 2.148 ======================= Grid point 24 (18/98) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -14.082 9.745 0.000) 17.125 0.470 ( -9.828 8.728 0.000) 13.145 0.529 ( -4.244 1.723 0.000) 4.580 0.796 ( 1.895 -0.170 0.000) 1.903 0.939 ( -27.868 20.964 0.000) 34.873 1.075 ( -8.978 1.765 0.000) 9.150 1.242 ( -3.160 1.745 0.000) 3.610 1.263 ( -11.754 9.665 0.000) 15.218 1.290 ( -5.951 -3.747 0.000) 7.033 1.647 ( -5.326 -1.076 0.000) 5.433 1.675 ( -0.669 0.079 0.000) 0.674 1.729 ( -7.931 1.395 0.000) 8.053 1.787 ( -5.303 0.958 0.000) 5.388 1.883 ( -8.880 -0.781 0.000) 8.914 1.922 ( -1.157 3.372 0.000) 3.565 2.062 ( -4.254 2.416 0.000) 4.892 2.091 ( -2.817 0.749 0.000) 2.915 2.146 ( 2.709 -2.820 0.000) 3.910 2.185 ( 0.474 2.737 0.000) 2.778 2.322 ( -1.361 -0.202 0.000) 1.376 2.374 ( -1.353 -0.556 0.000) 1.463 2.377 ( -1.194 0.611 0.000) 1.341 2.401 ( -1.249 -0.367 0.000) 1.302 2.443 ( -0.693 0.313 0.000) 0.760 2.512 ( -5.414 2.086 0.000) 5.802 2.557 ( -5.797 -3.201 0.000) 6.622 2.655 ( -2.252 1.169 0.000) 2.537 2.687 ( -2.065 4.008 0.000) 4.508 2.885 ( -0.348 -1.728 0.000) 1.762 2.929 ( 1.633 -0.017 0.000) 1.633 3.024 ( 3.172 3.787 0.000) 4.939 3.178 ( 0.685 1.705 0.000) 1.837 3.255 ( -0.821 -2.815 0.000) 2.932 3.306 ( -1.013 -4.564 0.000) 4.675 3.378 ( 2.273 -1.513 0.000) 2.731 3.445 ( 2.407 -1.618 0.000) 2.900 4.064 ( -3.758 1.027 0.000) 3.896 4.082 ( -6.078 1.016 0.000) 6.163 4.083 ( -3.430 0.985 0.000) 3.569 4.338 ( -12.411 -12.977 0.000) 17.956 4.518 ( -1.627 -1.973 0.000) 2.557 4.587 ( 0.795 -2.390 0.000) 2.518 4.617 ( -0.942 1.235 0.000) 1.554 4.638 ( -0.437 -1.293 0.000) 1.365 4.686 ( -0.350 1.630 0.000) 1.667 4.855 ( 9.234 2.261 0.000) 9.507 5.047 ( 2.363 5.273 0.000) 5.778 5.114 ( 1.254 1.364 0.000) 1.853 5.133 ( 0.364 0.749 0.000) 0.833 5.240 ( -0.222 -3.112 0.000) 3.120 5.273 ( 0.439 -2.015 0.000) 2.062 5.335 ( 0.138 2.146 0.000) 2.151 5.398 ( 2.025 0.005 0.000) 2.025 5.408 ( -3.507 -1.160 0.000) 3.694 5.424 ( 1.055 -0.783 0.000) 1.314 5.434 ( 0.319 0.590 0.000) 0.671 5.441 ( 0.331 2.575 0.000) 2.596 5.497 ( -2.065 -1.989 0.000) 2.867 5.512 ( -1.951 4.143 0.000) 4.580 5.577 ( 1.591 0.071 0.000) 1.593 5.786 ( 0.785 -0.840 0.000) 1.150 5.893 ( 0.123 0.774 0.000) 0.783 5.894 ( -2.836 -2.535 0.000) 3.804 6.233 ( 2.170 -2.639 0.000) 3.417 6.906 ( -0.210 -0.085 0.000) 0.226 6.928 ( -0.573 -1.945 0.000) 2.027 ======================= Grid point 25 (19/98) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.221 ( -0.000 20.257 0.000) 20.257 0.233 ( -0.000 21.429 0.000) 21.429 0.387 ( -0.000 35.764 0.000) 35.764 0.521 ( 0.000 -1.030 0.000) 1.030 0.863 ( 0.000 -4.657 0.000) 4.657 0.920 ( -0.000 3.556 0.000) 3.556 1.099 ( -0.000 10.554 0.000) 10.554 1.195 ( -0.000 2.779 0.000) 2.779 1.268 ( 0.000 -7.035 0.000) 7.035 1.586 ( 0.000 -0.281 0.000) 0.281 1.630 ( -0.000 0.646 0.000) 0.646 1.676 ( -0.000 0.973 0.000) 0.973 1.722 ( -0.000 10.079 0.000) 10.079 1.756 ( 0.000 -1.973 0.000) 1.973 1.929 ( 0.000 -1.727 0.000) 1.727 1.983 ( -0.000 1.675 0.000) 1.675 2.065 ( 0.000 -0.155 0.000) 0.155 2.186 ( -0.000 2.077 0.000) 2.077 2.188 ( 0.000 -0.656 0.000) 0.656 2.321 ( 0.000 -3.510 0.000) 3.510 2.365 ( -0.000 0.542 0.000) 0.542 2.368 ( 0.000 -0.728 0.000) 0.728 2.394 ( 0.000 -0.781 0.000) 0.781 2.434 ( -0.000 2.997 0.000) 2.997 2.439 ( -0.000 0.126 0.000) 0.126 2.484 ( 0.000 -0.608 0.000) 0.608 2.631 ( -0.000 0.961 0.000) 0.961 2.643 ( -0.000 3.654 0.000) 3.654 2.889 ( 0.000 -1.296 0.000) 1.296 2.950 ( 0.000 -0.416 0.000) 0.416 3.113 ( 0.000 -3.344 0.000) 3.344 3.192 ( -0.000 3.409 0.000) 3.409 3.257 ( 0.000 -1.659 0.000) 1.659 3.344 ( 0.000 -4.170 0.000) 4.170 3.407 ( 0.000 -1.050 0.000) 1.050 3.479 ( 0.000 -1.390 0.000) 1.390 4.006 ( -0.000 0.853 0.000) 0.853 4.010 ( -0.000 0.716 0.000) 0.716 4.021 ( -0.000 0.743 0.000) 0.743 4.045 ( -0.000 0.709 0.000) 0.709 4.514 ( 0.000 -2.087 0.000) 2.087 4.600 ( -0.000 1.667 0.000) 1.667 4.611 ( 0.000 -2.952 0.000) 2.952 4.640 ( 0.000 -1.018 0.000) 1.018 4.675 ( -0.000 1.431 0.000) 1.431 4.967 ( 0.000 -1.243 0.000) 1.243 5.123 ( -0.000 1.934 0.000) 1.934 5.135 ( -0.000 0.497 0.000) 0.497 5.224 ( 0.000 -1.197 0.000) 1.197 5.265 ( 0.000 -2.945 0.000) 2.945 5.287 ( 0.000 -1.976 0.000) 1.976 5.333 ( -0.000 2.532 0.000) 2.532 5.355 ( 0.000 -0.331 0.000) 0.331 5.364 ( 0.000 -0.305 0.000) 0.305 5.424 ( -0.000 0.433 0.000) 0.433 5.426 ( -0.000 0.505 0.000) 0.505 5.434 ( -0.000 0.628 0.000) 0.628 5.439 ( -0.000 2.238 0.000) 2.238 5.478 ( -0.000 2.223 0.000) 2.223 5.591 ( 0.000 -0.390 0.000) 0.390 5.789 ( 0.000 -0.509 0.000) 0.509 5.840 ( -0.000 1.840 0.000) 1.840 5.891 ( -0.000 0.723 0.000) 0.723 6.269 ( 0.000 -2.116 0.000) 2.116 6.899 ( 0.000 -0.025 0.000) 0.025 6.901 ( -0.000 0.037 0.000) 0.037 ======================= Grid point 28 (20/98) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 3.581 -0.000 0.000) 3.581 0.900 ( 3.726 -0.000 0.000) 3.726 1.312 ( 12.683 -0.000 0.000) 12.683 1.503 ( 6.199 -0.000 0.000) 6.199 1.567 ( 15.127 -0.000 0.000) 15.127 1.679 ( 10.043 -0.000 0.000) 10.043 1.762 ( 1.615 -0.000 0.000) 1.615 1.781 ( 1.458 -0.000 0.000) 1.458 1.918 ( 8.254 -0.000 0.000) 8.254 1.921 ( 0.023 -0.000 0.000) 0.023 1.996 ( 1.814 -0.000 0.000) 1.814 2.062 ( -4.291 0.000 0.000) 4.291 2.064 ( 1.277 -0.000 0.000) 1.277 2.069 ( 1.031 -0.000 0.000) 1.031 2.123 ( -4.476 0.000 0.000) 4.476 2.157 ( 4.116 -0.000 0.000) 4.116 2.244 ( 1.100 -0.000 0.000) 1.100 2.253 ( -0.981 0.000 0.000) 0.981 2.374 ( 3.208 -0.000 0.000) 3.208 2.520 ( 12.290 -0.000 0.000) 12.290 2.565 ( -1.811 0.000 0.000) 1.811 2.571 ( -0.992 0.000 0.000) 0.992 2.644 ( -0.957 0.000 0.000) 0.957 2.745 ( -2.017 0.000 0.000) 2.017 2.865 ( 9.956 -0.000 0.000) 9.956 2.882 ( 1.325 -0.000 0.000) 1.325 2.943 ( 5.064 -0.000 0.000) 5.064 3.003 ( 17.446 -0.000 0.000) 17.446 3.005 ( 8.981 -0.000 0.000) 8.981 3.021 ( 2.824 -0.000 0.000) 2.824 3.032 ( -0.115 0.000 0.000) 0.115 3.120 ( -3.447 0.000 0.000) 3.447 3.123 ( -2.735 0.000 0.000) 2.735 3.161 ( 5.904 -0.000 0.000) 5.904 3.208 ( -3.212 0.000 0.000) 3.212 3.229 ( 0.041 -0.000 0.000) 0.041 4.330 ( 4.345 -0.000 0.000) 4.345 4.367 ( 4.993 -0.000 0.000) 4.993 4.375 ( 1.740 -0.000 0.000) 1.740 4.439 ( -0.357 0.000 0.000) 0.357 4.553 ( 0.876 -0.000 0.000) 0.876 4.636 ( -0.366 0.000 0.000) 0.366 4.673 ( 2.327 -0.000 0.000) 2.327 4.696 ( 0.597 -0.000 0.000) 0.597 4.740 ( 2.012 -0.000 0.000) 2.012 4.756 ( 2.379 -0.000 0.000) 2.379 5.072 ( -0.117 0.000 0.000) 0.117 5.118 ( -2.343 0.000 0.000) 2.343 5.156 ( 2.093 -0.000 0.000) 2.093 5.217 ( 1.695 -0.000 0.000) 1.695 5.259 ( 0.095 -0.000 0.000) 0.095 5.318 ( -0.237 0.000 0.000) 0.237 5.341 ( -1.978 0.000 0.000) 1.978 5.373 ( 1.264 -0.000 0.000) 1.264 5.392 ( -0.860 0.000 0.000) 0.860 5.431 ( -0.407 0.000 0.000) 0.407 5.585 ( -0.221 0.000 0.000) 0.221 5.599 ( 0.840 -0.000 0.000) 0.840 5.618 ( 7.300 -0.000 0.000) 7.300 5.629 ( 8.892 -0.000 0.000) 8.892 5.903 ( 2.454 -0.000 0.000) 2.454 5.966 ( 2.124 -0.000 0.000) 2.124 5.989 ( -0.107 0.000 0.000) 0.107 6.116 ( -1.639 0.000 0.000) 1.639 6.749 ( -6.877 0.000 0.000) 6.877 6.755 ( -6.730 0.000 0.000) 6.730 ======================= Grid point 29 (21/98) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 2.447 0.054 0.000) 2.447 0.961 ( 2.575 -0.120 0.000) 2.578 1.519 ( 8.723 -0.213 0.000) 8.726 1.595 ( 2.781 1.006 0.000) 2.957 1.756 ( 4.795 2.662 0.000) 5.484 1.784 ( -0.514 1.374 0.000) 1.467 1.793 ( 1.743 -1.710 0.000) 2.442 1.816 ( 3.577 0.416 0.000) 3.601 1.893 ( -2.228 -0.480 0.000) 2.279 1.936 ( -4.491 5.653 0.000) 7.220 1.993 ( -3.280 -4.307 0.000) 5.414 2.004 ( -4.819 3.625 0.000) 6.031 2.073 ( 4.378 -0.742 0.000) 4.441 2.074 ( -0.160 0.101 0.000) 0.189 2.142 ( 6.193 -0.067 0.000) 6.193 2.215 ( 3.020 3.467 0.000) 4.598 2.232 ( -1.146 0.608 0.000) 1.297 2.272 ( 1.613 -3.740 0.000) 4.073 2.406 ( 0.066 0.206 0.000) 0.217 2.465 ( -5.304 -1.957 0.000) 5.653 2.513 ( -2.903 0.604 0.000) 2.965 2.653 ( 1.614 -0.706 0.000) 1.762 2.683 ( -3.762 -0.145 0.000) 3.765 2.725 ( 5.862 -0.789 0.000) 5.915 2.866 ( -2.965 -0.123 0.000) 2.968 2.885 ( -3.991 0.103 0.000) 3.992 2.897 ( -7.263 1.855 0.000) 7.496 2.917 ( -6.880 1.173 0.000) 6.979 3.048 ( 2.853 0.357 0.000) 2.875 3.099 ( 1.368 -1.166 0.000) 1.798 3.106 ( 2.629 -1.270 0.000) 2.919 3.186 ( 0.855 -0.580 0.000) 1.033 3.296 ( 11.925 -0.552 0.000) 11.937 3.322 ( 13.842 -0.197 0.000) 13.843 3.361 ( 11.819 -0.815 0.000) 11.847 3.380 ( 10.986 -0.499 0.000) 10.997 4.386 ( -0.130 0.162 0.000) 0.207 4.407 ( 3.333 -0.855 0.000) 3.440 4.426 ( -0.704 0.421 0.000) 0.820 4.450 ( 3.188 -0.787 0.000) 3.284 4.580 ( 2.071 0.210 0.000) 2.081 4.639 ( 0.784 0.314 0.000) 0.845 4.702 ( -0.059 0.040 0.000) 0.072 4.705 ( 0.870 -0.043 0.000) 0.871 4.772 ( 1.257 -0.064 0.000) 1.258 4.787 ( 0.931 0.000 0.000) 0.931 5.063 ( -0.766 0.299 0.000) 0.822 5.073 ( -1.736 0.556 0.000) 1.823 5.199 ( 1.888 -0.492 0.000) 1.951 5.259 ( 2.241 0.119 0.000) 2.245 5.273 ( 1.028 -0.003 0.000) 1.028 5.299 ( -2.113 0.330 0.000) 2.138 5.319 ( 0.432 0.241 0.000) 0.494 5.363 ( -2.084 0.582 0.000) 2.164 5.372 ( -0.946 0.305 0.000) 0.994 5.413 ( -1.281 0.356 0.000) 1.330 5.576 ( -0.547 -0.042 0.000) 0.549 5.604 ( -0.110 0.230 0.000) 0.255 5.802 ( 10.510 0.038 0.000) 10.510 5.842 ( 12.766 0.033 0.000) 12.766 5.937 ( 1.976 0.834 0.000) 2.145 5.982 ( -0.429 -0.258 0.000) 0.501 5.993 ( 0.636 -0.008 0.000) 0.636 6.085 ( -1.491 0.330 0.000) 1.527 6.593 ( -9.513 0.140 0.000) 9.514 6.598 ( -9.724 -0.028 0.000) 9.724 ======================= Grid point 30 (22/98) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.809 0.037 0.000) 0.810 0.997 ( 1.138 -0.104 0.000) 1.143 1.577 ( -2.928 4.360 0.000) 5.252 1.640 ( 3.715 -0.209 0.000) 3.720 1.738 ( -2.763 4.643 0.000) 5.403 1.745 ( -2.452 0.972 0.000) 2.637 1.807 ( -2.396 2.780 0.000) 3.670 1.822 ( -0.735 -1.329 0.000) 1.518 1.869 ( -4.069 -0.745 0.000) 4.136 1.874 ( -1.238 -2.928 0.000) 3.179 1.887 ( -2.727 -0.485 0.000) 2.770 1.933 ( -3.793 -5.083 0.000) 6.342 2.073 ( 0.170 0.071 0.000) 0.184 2.149 ( 1.140 0.259 0.000) 1.169 2.218 ( 1.195 1.856 0.000) 2.208 2.222 ( 1.353 0.960 0.000) 1.659 2.255 ( 2.738 2.507 0.000) 3.712 2.301 ( -0.749 -1.155 0.000) 1.376 2.410 ( 0.905 0.268 0.000) 0.944 2.429 ( 1.170 -1.308 0.000) 1.755 2.479 ( -0.012 -1.153 0.000) 1.153 2.617 ( -3.360 -0.362 0.000) 3.380 2.659 ( -1.659 -0.138 0.000) 1.664 2.771 ( -1.335 0.367 0.000) 1.385 2.780 ( -2.657 2.548 0.000) 3.681 2.809 ( -0.152 1.869 0.000) 1.875 2.820 ( -2.103 -1.103 0.000) 2.375 2.857 ( 0.158 -1.946 0.000) 1.952 3.113 ( 3.474 0.240 0.000) 3.482 3.139 ( 1.746 -0.723 0.000) 1.890 3.150 ( -0.312 -0.601 0.000) 0.677 3.176 ( 0.872 -0.408 0.000) 0.963 3.500 ( 6.731 0.800 0.000) 6.779 3.508 ( 5.216 0.950 0.000) 5.302 3.534 ( 4.559 -1.000 0.000) 4.667 3.539 ( 5.764 -1.694 0.000) 6.008 4.375 ( -0.755 -0.270 0.000) 0.802 4.405 ( -1.119 -0.109 0.000) 1.124 4.470 ( 2.772 -0.624 0.000) 2.841 4.502 ( 1.822 -0.453 0.000) 1.877 4.626 ( 2.721 0.537 0.000) 2.773 4.662 ( 1.845 0.564 0.000) 1.929 4.690 ( -1.107 0.340 0.000) 1.158 4.705 ( -0.599 0.471 0.000) 0.761 4.787 ( 0.132 -0.395 0.000) 0.416 4.798 ( 0.278 -0.636 0.000) 0.695 5.039 ( -1.471 0.391 0.000) 1.522 5.049 ( -0.759 0.302 0.000) 0.817 5.212 ( -1.105 -0.179 0.000) 1.120 5.269 ( -0.442 0.284 0.000) 0.525 5.285 ( -0.043 0.045 0.000) 0.062 5.292 ( 0.738 0.048 0.000) 0.739 5.316 ( -1.845 0.335 0.000) 1.875 5.323 ( -0.206 0.968 0.000) 0.989 5.349 ( -1.073 -0.636 0.000) 1.247 5.387 ( -1.026 0.057 0.000) 1.027 5.568 ( -0.285 -0.200 0.000) 0.348 5.597 ( -0.348 0.300 0.000) 0.460 5.885 ( -0.527 0.337 0.000) 0.626 5.962 ( -0.376 0.383 0.000) 0.537 5.992 ( -0.499 0.043 0.000) 0.500 6.059 ( -0.977 0.262 0.000) 1.011 6.085 ( 11.390 0.017 0.000) 11.390 6.092 ( 11.177 -0.195 0.000) 11.178 6.391 ( -10.791 0.214 0.000) 10.793 6.399 ( -10.039 -0.088 0.000) 10.039 ======================= Grid point 31 (23/98) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.994 -0.012 0.000) 0.994 1.005 ( -0.391 0.123 0.000) 0.410 1.478 ( -3.708 3.363 0.000) 5.006 1.659 ( -1.914 0.261 0.000) 1.932 1.662 ( -4.956 -1.148 0.000) 5.087 1.699 ( -2.101 -0.659 0.000) 2.202 1.743 ( -2.466 0.800 0.000) 2.593 1.762 ( -3.883 -2.300 0.000) 4.513 1.774 ( -6.659 -5.347 0.000) 8.540 1.857 ( -2.239 -3.300 0.000) 3.988 1.886 ( 0.855 -2.263 0.000) 2.420 1.942 ( 1.077 -0.039 0.000) 1.077 2.077 ( 0.237 0.454 0.000) 0.512 2.134 ( -2.013 -1.127 0.000) 2.307 2.185 ( -3.926 1.431 0.000) 4.178 2.232 ( 0.603 1.214 0.000) 1.356 2.250 ( -1.819 1.405 0.000) 2.298 2.321 ( 3.590 0.950 0.000) 3.714 2.426 ( 1.076 0.225 0.000) 1.099 2.497 ( 4.641 0.181 0.000) 4.645 2.505 ( 0.171 -1.246 0.000) 1.258 2.559 ( -2.287 -2.010 0.000) 3.045 2.661 ( 2.220 0.113 0.000) 2.223 2.744 ( -0.267 0.320 0.000) 0.417 2.759 ( 1.323 1.824 0.000) 2.253 2.823 ( 1.900 -0.838 0.000) 2.076 2.825 ( 1.696 1.719 0.000) 2.415 2.887 ( 1.675 -0.648 0.000) 1.796 3.107 ( -2.689 0.004 0.000) 2.689 3.160 ( 0.075 -0.129 0.000) 0.149 3.181 ( 3.086 0.316 0.000) 3.102 3.207 ( 1.079 0.616 0.000) 1.243 3.513 ( -3.603 1.158 0.000) 3.785 3.525 ( -2.879 1.733 0.000) 3.360 3.554 ( -3.004 -0.344 0.000) 3.023 3.582 ( -2.355 -0.530 0.000) 2.414 4.370 ( 0.069 -0.607 0.000) 0.611 4.392 ( -0.363 -0.664 0.000) 0.757 4.509 ( 0.964 0.510 0.000) 1.091 4.521 ( -0.014 0.042 0.000) 0.045 4.648 ( -1.104 2.012 0.000) 2.295 4.681 ( 1.681 0.081 0.000) 1.683 4.681 ( -1.258 1.467 0.000) 1.932 4.698 ( 2.172 0.859 0.000) 2.336 4.780 ( -1.172 -1.023 0.000) 1.556 4.803 ( -0.618 -1.140 0.000) 1.297 5.011 ( -1.010 -0.450 0.000) 1.105 5.036 ( -0.583 -0.121 0.000) 0.595 5.184 ( -1.363 -1.110 0.000) 1.758 5.256 ( -0.916 0.146 0.000) 0.928 5.265 ( -1.956 -0.722 0.000) 2.085 5.280 ( -1.123 -0.827 0.000) 1.395 5.304 ( -0.980 0.577 0.000) 1.137 5.307 ( -0.348 0.206 0.000) 0.405 5.338 ( -0.825 -1.110 0.000) 1.383 5.377 ( -0.280 -0.281 0.000) 0.397 5.569 ( 0.227 -0.327 0.000) 0.399 5.588 ( -0.538 0.174 0.000) 0.565 5.862 ( -1.379 -0.330 0.000) 1.418 5.943 ( -2.240 -0.181 0.000) 2.247 5.986 ( 0.019 -0.186 0.000) 0.187 6.045 ( -0.430 -0.102 0.000) 0.442 6.087 ( -11.988 0.068 0.000) 11.989 6.101 ( -9.601 0.101 0.000) 9.602 6.380 ( 10.306 -0.182 0.000) 10.308 6.401 ( 10.085 0.011 0.000) 10.085 ======================= Grid point 32 (24/98) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -2.798 -0.124 0.000) 2.800 0.980 ( -2.025 0.496 0.000) 2.085 1.432 ( -1.732 -3.680 0.000) 4.068 1.544 ( -8.758 -6.016 0.000) 10.626 1.567 ( -6.378 2.063 0.000) 6.704 1.667 ( -2.351 -2.388 0.000) 3.351 1.672 ( -4.575 -3.293 0.000) 5.637 1.715 ( -2.143 -3.084 0.000) 3.756 1.751 ( -2.097 -4.901 0.000) 5.331 1.830 ( -2.058 -3.463 0.000) 4.028 1.888 ( -2.923 0.058 0.000) 2.923 1.956 ( 1.150 0.809 0.000) 1.406 2.065 ( -4.150 -2.140 0.000) 4.669 2.067 ( -1.212 0.985 0.000) 1.562 2.142 ( 0.010 0.155 0.000) 0.155 2.218 ( -0.257 2.517 0.000) 2.530 2.234 ( 0.433 0.715 0.000) 0.836 2.392 ( 3.796 1.063 0.000) 3.942 2.446 ( 0.856 1.582 0.000) 1.799 2.453 ( -3.782 -0.822 0.000) 3.870 2.574 ( 2.366 -0.824 0.000) 2.505 2.597 ( 2.539 -4.488 0.000) 5.156 2.704 ( 2.104 0.689 0.000) 2.214 2.752 ( 0.322 -0.002 0.000) 0.322 2.796 ( 2.470 -0.097 0.000) 2.472 2.862 ( 3.321 1.096 0.000) 3.497 2.885 ( 4.020 0.259 0.000) 4.028 2.925 ( 2.543 1.046 0.000) 2.750 3.053 ( -2.686 0.212 0.000) 2.694 3.142 ( -2.019 -0.071 0.000) 2.021 3.194 ( -2.130 1.761 0.000) 2.764 3.227 ( 1.668 0.610 0.000) 1.777 3.375 ( -9.536 1.533 0.000) 9.658 3.395 ( -8.619 2.453 0.000) 8.962 3.438 ( -8.102 1.141 0.000) 8.182 3.463 ( -8.884 2.128 0.000) 9.135 4.378 ( 0.119 -0.549 0.000) 0.562 4.393 ( -0.230 -1.015 0.000) 1.040 4.493 ( -1.930 1.511 0.000) 2.451 4.502 ( -1.708 0.464 0.000) 1.769 4.604 ( -1.826 2.707 0.000) 3.265 4.646 ( -1.374 1.721 0.000) 2.203 4.705 ( 0.419 0.321 0.000) 0.528 4.723 ( 0.260 1.121 0.000) 1.150 4.762 ( -0.892 -0.873 0.000) 1.248 4.782 ( -1.435 -0.347 0.000) 1.477 5.017 ( 0.837 -1.463 0.000) 1.685 5.035 ( 0.712 -0.294 0.000) 0.771 5.183 ( -0.019 -2.991 0.000) 2.991 5.231 ( -2.061 -0.470 0.000) 2.114 5.236 ( -1.797 -2.724 0.000) 3.263 5.269 ( -0.703 -0.522 0.000) 0.875 5.278 ( -1.476 0.109 0.000) 1.480 5.294 ( -0.379 -0.953 0.000) 1.025 5.333 ( -0.260 -1.383 0.000) 1.408 5.372 ( -0.483 -0.542 0.000) 0.726 5.574 ( -0.863 -0.230 0.000) 0.893 5.582 ( 0.918 -0.219 0.000) 0.944 5.798 ( -10.401 -0.033 0.000) 10.401 5.826 ( -10.001 -1.035 0.000) 10.054 5.864 ( -4.758 -0.816 0.000) 4.828 5.989 ( -1.944 -0.025 0.000) 1.944 5.994 ( 0.434 -0.026 0.000) 0.435 6.041 ( -0.297 -0.958 0.000) 1.003 6.579 ( 9.513 -0.279 0.000) 9.517 6.596 ( 9.394 -0.073 0.000) 9.394 ======================= Grid point 33 (25/98) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -4.365 -0.421 0.000) 4.385 0.925 ( -3.266 0.770 0.000) 3.355 1.322 ( -12.427 -5.807 0.000) 13.717 1.408 ( -8.553 4.064 0.000) 9.469 1.507 ( 0.958 -4.146 0.000) 4.256 1.610 ( -5.739 -1.305 0.000) 5.886 1.632 ( -3.228 -5.160 0.000) 6.087 1.676 ( -2.970 -4.500 0.000) 5.392 1.679 ( -8.226 -6.870 0.000) 10.717 1.806 ( -3.407 0.339 0.000) 3.424 1.829 ( -1.229 -5.657 0.000) 5.789 1.949 ( -1.616 1.210 0.000) 2.019 2.015 ( -3.180 2.300 0.000) 3.924 2.073 ( 2.486 -3.932 0.000) 4.652 2.153 ( 0.655 -0.369 0.000) 0.752 2.205 ( 0.020 2.979 0.000) 2.979 2.241 ( 0.040 0.034 0.000) 0.052 2.386 ( -1.784 0.626 0.000) 1.891 2.408 ( -4.083 3.549 0.000) 5.410 2.462 ( 1.471 -2.193 0.000) 2.641 2.583 ( -1.813 -2.895 0.000) 3.416 2.664 ( 1.063 -4.307 0.000) 4.436 2.715 ( -3.803 2.600 0.000) 4.607 2.745 ( 2.315 1.066 0.000) 2.549 2.817 ( -1.249 -1.106 0.000) 1.668 2.901 ( -1.586 1.176 0.000) 1.974 2.946 ( -0.936 1.797 0.000) 2.026 2.959 ( 2.567 0.542 0.000) 2.623 3.002 ( -6.494 3.286 0.000) 7.278 3.067 ( -7.318 1.138 0.000) 7.406 3.080 ( -3.198 2.283 0.000) 3.929 3.185 ( -6.175 0.620 0.000) 6.206 3.222 ( -2.749 -0.367 0.000) 2.774 3.262 ( -2.815 1.109 0.000) 3.026 3.280 ( -5.827 2.942 0.000) 6.527 3.281 ( -5.116 3.284 0.000) 6.079 4.365 ( -1.990 0.182 0.000) 1.998 4.381 ( -1.991 -0.620 0.000) 2.086 4.429 ( -3.640 2.180 0.000) 4.243 4.457 ( -2.341 0.956 0.000) 2.529 4.561 ( -1.056 1.675 0.000) 1.981 4.621 ( -0.404 0.318 0.000) 0.514 4.683 ( -3.470 -0.181 0.000) 3.475 4.691 ( -1.860 -0.967 0.000) 2.096 4.755 ( -0.121 0.934 0.000) 0.942 4.761 ( -1.293 1.148 0.000) 1.730 5.042 ( 0.916 -0.710 0.000) 1.159 5.072 ( 2.834 -0.364 0.000) 2.857 5.177 ( -2.115 0.031 0.000) 2.115 5.216 ( -0.207 -1.926 0.000) 1.937 5.226 ( -1.669 -4.315 0.000) 4.627 5.250 ( -0.574 -1.650 0.000) 1.747 5.261 ( 0.422 0.300 0.000) 0.518 5.322 ( 1.808 -2.656 0.000) 3.213 5.344 ( 0.565 -0.288 0.000) 0.634 5.371 ( 0.144 -2.184 0.000) 2.189 5.555 ( -1.423 -0.651 0.000) 1.565 5.606 ( 1.507 0.168 0.000) 1.516 5.610 ( -7.816 -0.113 0.000) 7.817 5.628 ( -8.451 -0.179 0.000) 8.453 5.837 ( -1.811 -2.168 0.000) 2.825 5.960 ( -1.743 -0.679 0.000) 1.871 5.981 ( -1.692 0.644 0.000) 1.811 6.055 ( 0.996 -2.009 0.000) 2.243 6.735 ( 6.680 -0.393 0.000) 6.691 6.749 ( 6.506 -0.193 0.000) 6.509 ======================= Grid point 34 (26/98) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -5.034 -1.069 0.000) 5.147 0.853 ( -3.634 0.960 0.000) 3.759 1.089 ( -13.308 -0.223 0.000) 13.310 1.197 ( -10.415 7.161 0.000) 12.640 1.470 ( -8.032 1.978 0.000) 8.272 1.484 ( -11.047 -5.821 0.000) 12.487 1.524 ( -1.107 4.345 0.000) 4.484 1.626 ( -4.060 -7.295 0.000) 8.348 1.660 ( -1.729 -4.597 0.000) 4.912 1.794 ( -6.961 -5.213 0.000) 8.697 1.810 ( 1.391 -9.226 0.000) 9.330 1.892 ( -3.869 0.172 0.000) 3.873 1.950 ( -1.369 1.893 0.000) 2.336 2.114 ( -7.072 0.727 0.000) 7.110 2.156 ( 1.172 -2.022 0.000) 2.337 2.165 ( -3.360 2.397 0.000) 4.127 2.199 ( -3.430 0.764 0.000) 3.514 2.288 ( -3.818 3.583 0.000) 5.236 2.367 ( -0.114 0.205 0.000) 0.234 2.458 ( -3.747 -3.501 0.000) 5.128 2.536 ( -5.595 -1.682 0.000) 5.842 2.566 ( -8.563 7.069 0.000) 11.103 2.647 ( -4.772 -2.024 0.000) 5.183 2.713 ( -9.477 4.694 0.000) 10.576 2.758 ( -8.522 6.000 0.000) 10.422 2.790 ( -3.922 0.861 0.000) 4.015 2.815 ( -1.079 -0.111 0.000) 1.085 2.823 ( -6.692 3.653 0.000) 7.624 2.869 ( -5.166 1.393 0.000) 5.350 2.981 ( -2.541 3.368 0.000) 4.219 3.105 ( 2.167 2.543 0.000) 3.341 3.169 ( -2.750 -1.385 0.000) 3.079 3.178 ( 1.993 -2.807 0.000) 3.443 3.223 ( 0.632 -0.088 0.000) 0.638 3.231 ( -0.866 -1.778 0.000) 1.978 3.282 ( 3.145 -1.508 0.000) 3.487 4.293 ( -4.847 1.661 0.000) 5.123 4.309 ( -5.100 1.422 0.000) 5.295 4.339 ( -4.628 1.596 0.000) 4.895 4.420 ( -1.729 -0.894 0.000) 1.946 4.549 ( 0.026 0.124 0.000) 0.127 4.608 ( -3.938 -0.780 0.000) 4.014 4.639 ( 1.714 -1.256 0.000) 2.125 4.655 ( -2.298 -1.432 0.000) 2.708 4.712 ( -2.809 1.128 0.000) 3.027 4.743 ( -0.424 1.577 0.000) 1.633 5.056 ( 0.439 0.034 0.000) 0.441 5.120 ( 0.308 -0.142 0.000) 0.339 5.150 ( 0.716 0.881 0.000) 1.135 5.200 ( -0.790 -0.840 0.000) 1.153 5.212 ( -1.725 -3.280 0.000) 3.706 5.290 ( 2.476 -2.733 0.000) 3.688 5.294 ( 2.820 0.429 0.000) 2.852 5.352 ( 0.587 0.002 0.000) 0.587 5.379 ( 2.688 -1.772 0.000) 3.219 5.405 ( 1.718 -1.253 0.000) 2.126 5.514 ( -2.466 0.031 0.000) 2.466 5.525 ( -2.251 -0.940 0.000) 2.440 5.528 ( -2.115 -0.444 0.000) 2.161 5.629 ( 0.940 1.308 0.000) 1.611 5.805 ( -2.694 -2.221 0.000) 3.491 5.930 ( -1.959 -1.458 0.000) 2.442 5.936 ( -2.256 0.583 0.000) 2.330 6.093 ( 1.625 -2.311 0.000) 2.825 6.839 ( 3.968 -0.593 0.000) 4.012 6.846 ( 3.652 -0.297 0.000) 3.664 ======================= Grid point 35 (27/98) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -3.593 -2.121 0.000) 4.172 0.781 ( -3.614 1.065 0.000) 3.768 0.831 ( -11.276 7.883 0.000) 13.759 0.947 ( -9.892 10.794 0.000) 14.641 1.297 ( -8.090 4.627 0.000) 9.320 1.311 ( -9.410 -5.154 0.000) 10.729 1.416 ( -6.625 5.870 0.000) 8.851 1.599 ( -10.607 0.624 0.000) 10.626 1.606 ( -4.307 -3.871 0.000) 5.791 1.675 ( -1.651 -1.661 0.000) 2.342 1.780 ( -13.392 10.366 0.000) 16.935 1.811 ( -7.964 -4.487 0.000) 9.141 1.905 ( 0.018 -7.305 0.000) 7.305 1.907 ( -5.372 0.771 0.000) 5.427 2.072 ( -3.221 -2.058 0.000) 3.822 2.096 ( -7.452 4.338 0.000) 8.623 2.161 ( -2.890 -0.845 0.000) 3.011 2.231 ( -0.583 2.272 0.000) 2.345 2.345 ( -9.982 8.813 0.000) 13.316 2.370 ( 0.340 1.105 0.000) 1.156 2.396 ( -3.588 -2.909 0.000) 4.619 2.419 ( -4.213 0.789 0.000) 4.287 2.514 ( -6.817 2.261 0.000) 7.182 2.517 ( -7.036 5.237 0.000) 8.771 2.606 ( -5.033 -0.712 0.000) 5.083 2.659 ( -4.515 3.639 0.000) 5.800 2.755 ( -5.101 1.642 0.000) 5.358 2.786 ( -1.729 2.016 0.000) 2.656 2.844 ( 0.804 -2.347 0.000) 2.481 2.927 ( -0.128 3.213 0.000) 3.216 3.079 ( -2.048 3.652 0.000) 4.187 3.161 ( 0.817 -1.721 0.000) 1.905 3.206 ( -0.663 -4.533 0.000) 4.581 3.233 ( -1.370 -6.230 0.000) 6.379 3.286 ( 3.488 -2.548 0.000) 4.320 3.361 ( 3.412 -1.825 0.000) 3.869 4.180 ( -5.528 1.967 0.000) 5.867 4.195 ( -5.423 1.901 0.000) 5.746 4.227 ( -6.424 1.237 0.000) 6.542 4.373 ( -5.334 -3.981 0.000) 6.656 4.540 ( -3.432 -1.366 0.000) 3.694 4.553 ( 0.132 -0.838 0.000) 0.848 4.628 ( -1.304 -1.710 0.000) 2.150 4.658 ( -1.979 0.833 0.000) 2.147 4.717 ( 5.728 -1.044 0.000) 5.823 4.724 ( -0.571 1.781 0.000) 1.871 5.064 ( 0.938 1.152 0.000) 1.486 5.111 ( 0.018 0.232 0.000) 0.233 5.149 ( -0.311 1.281 0.000) 1.318 5.203 ( -0.822 -2.756 0.000) 2.876 5.224 ( 1.531 -1.896 0.000) 2.437 5.343 ( 1.760 0.469 0.000) 1.821 5.356 ( 3.028 -1.298 0.000) 3.294 5.368 ( 1.886 1.475 0.000) 2.394 5.431 ( 1.583 -0.142 0.000) 1.589 5.431 ( 0.786 0.212 0.000) 0.815 5.480 ( -2.378 -0.225 0.000) 2.389 5.497 ( -0.246 -0.493 0.000) 0.551 5.538 ( 2.098 -0.258 0.000) 2.114 5.615 ( -1.262 3.221 0.000) 3.459 5.770 ( -1.716 -2.033 0.000) 2.660 5.904 ( -1.501 -1.351 0.000) 2.019 5.905 ( -0.500 0.556 0.000) 0.748 6.142 ( 2.129 -2.829 0.000) 3.541 6.894 ( 1.323 -0.347 0.000) 1.368 6.896 ( 1.619 -0.854 0.000) 1.830 ======================= Grid point 36 (28/98) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -0.826 -2.518 0.000) 2.650 0.595 ( -5.689 17.089 0.000) 18.011 0.629 ( -8.583 11.584 0.000) 14.417 0.809 ( 0.224 3.631 0.000) 3.638 1.113 ( -8.467 4.977 0.000) 9.821 1.141 ( -15.857 11.401 0.000) 19.530 1.222 ( -5.882 1.732 0.000) 6.132 1.342 ( -8.201 10.918 0.000) 13.655 1.370 ( -8.125 9.817 0.000) 12.743 1.633 ( -4.462 -1.509 0.000) 4.710 1.673 ( -0.353 -0.643 0.000) 0.734 1.746 ( -7.600 1.742 0.000) 7.797 1.752 ( -2.780 -5.071 0.000) 5.783 1.851 ( -7.015 -4.034 0.000) 8.092 1.999 ( -0.913 6.032 0.000) 6.101 2.084 ( -3.395 1.176 0.000) 3.593 2.099 ( 2.067 -5.567 0.000) 5.938 2.123 ( -7.042 6.858 0.000) 9.829 2.216 ( 0.474 3.023 0.000) 3.060 2.337 ( -2.082 2.544 0.000) 3.288 2.364 ( -1.187 -0.942 0.000) 1.516 2.383 ( -0.440 0.216 0.000) 0.490 2.405 ( -2.790 1.680 0.000) 3.257 2.442 ( -0.584 -0.070 0.000) 0.588 2.528 ( -4.781 -2.212 0.000) 5.268 2.545 ( -4.933 3.784 0.000) 6.217 2.669 ( -2.463 1.485 0.000) 2.876 2.734 ( -1.401 4.615 0.000) 4.823 2.860 ( -0.568 -2.934 0.000) 2.988 2.933 ( 1.172 0.758 0.000) 1.396 3.050 ( 0.992 1.339 0.000) 1.667 3.193 ( 2.062 0.187 0.000) 2.071 3.216 ( -0.661 -4.458 0.000) 4.506 3.242 ( -1.145 -6.677 0.000) 6.774 3.355 ( 2.037 -2.833 0.000) 3.489 3.423 ( 1.931 -2.341 0.000) 3.035 4.077 ( -3.907 1.506 0.000) 4.188 4.095 ( -5.914 1.390 0.000) 6.075 4.097 ( -3.623 1.432 0.000) 3.896 4.234 ( -12.889 -6.659 0.000) 14.507 4.498 ( -1.836 -1.760 0.000) 2.544 4.562 ( 0.071 -2.002 0.000) 2.003 4.622 ( -0.430 -1.686 0.000) 1.740 4.630 ( -0.624 1.050 0.000) 1.221 4.704 ( -0.421 1.767 0.000) 1.817 4.857 ( 7.490 -1.166 0.000) 7.580 5.093 ( 4.111 2.983 0.000) 5.079 5.125 ( 1.427 0.481 0.000) 1.506 5.141 ( 0.075 0.556 0.000) 0.561 5.209 ( -0.161 -2.653 0.000) 2.658 5.255 ( 0.839 -1.120 0.000) 1.399 5.353 ( 0.284 1.074 0.000) 1.110 5.394 ( -2.067 -1.327 0.000) 2.456 5.401 ( 1.160 0.551 0.000) 1.284 5.421 ( 0.670 0.110 0.000) 0.679 5.440 ( 0.414 0.479 0.000) 0.633 5.467 ( 0.502 2.246 0.000) 2.301 5.479 ( -2.783 -1.174 0.000) 3.020 5.561 ( -1.470 4.887 0.000) 5.104 5.577 ( 1.366 -0.040 0.000) 1.366 5.770 ( 0.320 -1.934 0.000) 1.960 5.886 ( -0.720 0.736 0.000) 1.030 5.903 ( 0.433 1.087 0.000) 1.170 6.199 ( 1.826 -3.463 0.000) 3.915 6.905 ( -0.092 -0.111 0.000) 0.144 6.912 ( -0.508 -1.099 0.000) 1.211 ======================= Grid point 37 (29/98) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -0.000 16.812 0.000) 16.812 0.456 ( -0.000 19.944 0.000) 19.944 0.507 ( 0.000 -0.620 0.000) 0.620 0.763 ( -0.000 34.109 0.000) 34.109 0.827 ( 0.000 -1.502 0.000) 1.502 0.973 ( -0.000 6.019 0.000) 6.019 1.196 ( 0.000 -5.438 0.000) 5.438 1.228 ( -0.000 12.882 0.000) 12.882 1.237 ( -0.000 4.895 0.000) 4.895 1.582 ( 0.000 -0.375 0.000) 0.375 1.640 ( -0.000 1.131 0.000) 1.131 1.687 ( -0.000 0.942 0.000) 0.942 1.730 ( 0.000 -2.565 0.000) 2.565 1.800 ( -0.000 0.558 0.000) 0.558 1.948 ( -0.000 8.582 0.000) 8.582 2.004 ( -0.000 1.930 0.000) 1.930 2.062 ( 0.000 -0.640 0.000) 0.640 2.159 ( 0.000 -5.169 0.000) 5.169 2.216 ( -0.000 3.222 0.000) 3.222 2.305 ( -0.000 1.115 0.000) 1.115 2.358 ( 0.000 -1.258 0.000) 1.258 2.376 ( -0.000 1.650 0.000) 1.650 2.383 ( 0.000 -1.270 0.000) 1.270 2.441 ( -0.000 0.165 0.000) 0.165 2.469 ( -0.000 3.627 0.000) 3.627 2.475 ( 0.000 -1.010 0.000) 1.010 2.643 ( -0.000 1.142 0.000) 1.142 2.692 ( -0.000 5.195 0.000) 5.195 2.868 ( 0.000 -2.630 0.000) 2.630 2.946 ( 0.000 -0.241 0.000) 0.241 3.082 ( 0.000 -2.371 0.000) 2.371 3.223 ( -0.000 2.057 0.000) 2.057 3.230 ( 0.000 -3.387 0.000) 3.387 3.280 ( 0.000 -7.615 0.000) 7.615 3.389 ( 0.000 -2.386 0.000) 2.386 3.457 ( 0.000 -2.605 0.000) 2.605 4.019 ( -0.000 1.499 0.000) 1.499 4.021 ( -0.000 1.239 0.000) 1.239 4.033 ( -0.000 1.350 0.000) 1.350 4.056 ( -0.000 1.275 0.000) 1.275 4.491 ( 0.000 -2.144 0.000) 2.144 4.577 ( 0.000 -3.025 0.000) 3.025 4.618 ( -0.000 1.436 0.000) 1.436 4.627 ( 0.000 -1.469 0.000) 1.469 4.691 ( -0.000 1.616 0.000) 1.616 4.948 ( 0.000 -2.144 0.000) 2.144 5.137 ( -0.000 0.478 0.000) 0.478 5.146 ( -0.000 1.091 0.000) 1.091 5.205 ( 0.000 -2.147 0.000) 2.147 5.234 ( 0.000 -2.803 0.000) 2.803 5.269 ( 0.000 -1.155 0.000) 1.155 5.350 ( 0.000 -0.519 0.000) 0.519 5.359 ( 0.000 -0.451 0.000) 0.451 5.360 ( -0.000 2.351 0.000) 2.351 5.430 ( -0.000 0.689 0.000) 0.689 5.433 ( -0.000 0.795 0.000) 0.795 5.441 ( -0.000 0.696 0.000) 0.696 5.459 ( -0.000 1.580 0.000) 1.580 5.520 ( -0.000 5.152 0.000) 5.152 5.588 ( -0.000 0.007 0.000) 0.007 5.781 ( 0.000 -0.902 0.000) 0.902 5.866 ( -0.000 2.913 0.000) 2.913 5.902 ( -0.000 1.278 0.000) 1.278 6.238 ( 0.000 -3.512 0.000) 3.512 6.899 ( 0.000 -0.034 0.000) 0.034 6.902 ( -0.000 0.055 0.000) 0.055 ======================= Grid point 42 (30/98) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.795 -0.000 0.000) 0.795 0.997 ( 1.180 -0.000 0.000) 1.180 1.603 ( -2.170 0.000 0.000) 2.170 1.638 ( 3.722 -0.000 0.000) 3.722 1.750 ( -2.834 0.000 0.000) 2.834 1.785 ( -2.633 0.000 0.000) 2.633 1.805 ( -0.945 0.000 0.000) 0.945 1.836 ( -3.388 0.000 0.000) 3.388 1.843 ( -8.658 0.000 0.000) 8.658 1.843 ( -0.581 0.000 0.000) 0.581 1.890 ( -5.358 0.000 0.000) 5.358 1.908 ( 0.525 -0.000 0.000) 0.525 2.073 ( 0.246 -0.000 0.000) 0.246 2.149 ( 0.544 -0.000 0.000) 0.544 2.225 ( 0.522 -0.000 0.000) 0.522 2.232 ( 1.965 -0.000 0.000) 1.965 2.278 ( 2.441 -0.000 0.000) 2.441 2.286 ( 0.067 -0.000 0.000) 0.067 2.412 ( 0.836 -0.000 0.000) 0.836 2.422 ( 2.090 -0.000 0.000) 2.090 2.473 ( -0.683 0.000 0.000) 0.683 2.614 ( -3.365 0.000 0.000) 3.365 2.658 ( -1.613 0.000 0.000) 1.613 2.772 ( -0.899 0.000 0.000) 0.899 2.802 ( -2.333 0.000 0.000) 2.333 2.806 ( -2.720 0.000 0.000) 2.720 2.831 ( -0.135 0.000 0.000) 0.135 2.836 ( -0.130 0.000 0.000) 0.130 3.114 ( 3.703 -0.000 0.000) 3.703 3.135 ( 2.005 -0.000 0.000) 2.005 3.147 ( -0.170 0.000 0.000) 0.170 3.173 ( 1.004 -0.000 0.000) 1.004 3.507 ( 7.859 -0.000 0.000) 7.859 3.516 ( 6.042 -0.000 0.000) 6.042 3.526 ( 3.975 -0.000 0.000) 3.975 3.528 ( 5.152 -0.000 0.000) 5.152 4.373 ( -0.845 0.000 0.000) 0.845 4.404 ( -1.261 0.000 0.000) 1.261 4.466 ( 3.044 -0.000 0.000) 3.044 4.500 ( 1.997 -0.000 0.000) 1.997 4.629 ( 2.842 -0.000 0.000) 2.842 4.665 ( 1.852 -0.000 0.000) 1.852 4.692 ( -1.036 0.000 0.000) 1.036 4.708 ( -0.336 0.000 0.000) 0.336 4.784 ( -0.009 0.000 0.000) 0.009 4.794 ( 0.016 -0.000 0.000) 0.016 5.041 ( -1.569 0.000 0.000) 1.569 5.050 ( -0.938 0.000 0.000) 0.938 5.211 ( -0.985 0.000 0.000) 0.985 5.271 ( -0.608 0.000 0.000) 0.608 5.285 ( -0.076 0.000 0.000) 0.076 5.293 ( 0.762 -0.000 0.000) 0.762 5.318 ( -2.143 0.000 0.000) 2.143 5.329 ( 0.255 -0.000 0.000) 0.255 5.344 ( -1.737 0.000 0.000) 1.737 5.387 ( -1.224 0.000 0.000) 1.224 5.567 ( -0.304 0.000 0.000) 0.304 5.599 ( -0.398 0.000 0.000) 0.398 5.887 ( -0.610 0.000 0.000) 0.610 5.964 ( -0.651 0.000 0.000) 0.651 5.992 ( -0.528 0.000 0.000) 0.528 6.060 ( -1.078 0.000 0.000) 1.078 6.085 ( 11.186 -0.000 0.000) 11.186 6.091 ( 11.501 -0.000 0.000) 11.501 6.393 ( -10.944 0.000 0.000) 10.944 6.398 ( -9.917 0.000 0.000) 9.917 ======================= Grid point 43 (31/98) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -1.018 -0.002 0.000) 1.018 1.006 ( -0.267 0.043 0.000) 0.270 1.523 ( -4.738 4.077 0.000) 6.250 1.632 ( -10.652 -3.775 0.000) 11.301 1.661 ( -1.199 0.117 0.000) 1.205 1.692 ( -3.061 -0.403 0.000) 3.087 1.733 ( -3.361 -1.391 0.000) 3.637 1.745 ( -4.906 -1.051 0.000) 5.017 1.757 ( -4.051 1.313 0.000) 4.258 1.826 ( -1.865 -2.122 0.000) 2.825 1.873 ( 1.378 -0.482 0.000) 1.460 1.941 ( 1.876 -0.137 0.000) 1.881 2.081 ( 0.403 0.201 0.000) 0.450 2.125 ( -2.381 -0.401 0.000) 2.415 2.195 ( -4.167 0.410 0.000) 4.188 2.243 ( 0.246 0.685 0.000) 0.727 2.261 ( -1.555 0.581 0.000) 1.660 2.330 ( 3.396 0.545 0.000) 3.439 2.425 ( 1.180 -0.165 0.000) 1.192 2.491 ( 1.638 -0.881 0.000) 1.860 2.498 ( 4.570 0.035 0.000) 4.570 2.546 ( -4.074 -0.583 0.000) 4.116 2.663 ( 2.434 0.116 0.000) 2.437 2.746 ( -0.768 0.022 0.000) 0.768 2.776 ( 0.342 1.100 0.000) 1.152 2.814 ( 2.566 -0.714 0.000) 2.663 2.844 ( 1.265 1.446 0.000) 1.922 2.877 ( 2.899 -0.900 0.000) 3.036 3.107 ( -2.701 0.008 0.000) 2.701 3.159 ( 0.257 -0.080 0.000) 0.269 3.183 ( 3.317 0.093 0.000) 3.318 3.211 ( 1.449 0.228 0.000) 1.467 3.524 ( -3.758 0.727 0.000) 3.828 3.542 ( -2.934 1.199 0.000) 3.170 3.549 ( -2.489 -0.403 0.000) 2.521 3.573 ( -1.324 -0.767 0.000) 1.530 4.365 ( 0.022 -0.258 0.000) 0.259 4.387 ( -0.529 -0.275 0.000) 0.596 4.513 ( 1.391 0.150 0.000) 1.399 4.521 ( 0.128 -0.015 0.000) 0.129 4.664 ( -1.235 0.775 0.000) 1.458 4.684 ( 2.694 0.402 0.000) 2.724 4.689 ( -0.617 0.187 0.000) 0.644 4.713 ( 2.328 1.234 0.000) 2.635 4.770 ( -1.672 -0.693 0.000) 1.810 4.790 ( -0.818 -0.921 0.000) 1.232 5.008 ( -1.581 -0.150 0.000) 1.588 5.035 ( -0.672 -0.042 0.000) 0.674 5.175 ( -2.093 -0.437 0.000) 2.139 5.260 ( -2.118 -0.127 0.000) 2.121 5.260 ( -1.400 0.201 0.000) 1.414 5.272 ( -1.423 -0.627 0.000) 1.555 5.308 ( -0.342 0.086 0.000) 0.352 5.312 ( -1.225 0.899 0.000) 1.519 5.326 ( -0.978 -1.099 0.000) 1.471 5.375 ( -0.239 -0.106 0.000) 0.262 5.566 ( 0.234 -0.121 0.000) 0.264 5.589 ( -0.635 0.071 0.000) 0.639 5.860 ( -1.714 -0.109 0.000) 1.717 5.942 ( -2.489 -0.052 0.000) 2.490 5.984 ( -0.073 -0.074 0.000) 0.104 6.045 ( -0.602 -0.023 0.000) 0.603 6.088 ( -12.023 0.026 0.000) 12.023 6.101 ( -9.488 0.033 0.000) 9.488 6.378 ( 10.271 -0.064 0.000) 10.271 6.401 ( 10.062 0.003 0.000) 10.062 ======================= Grid point 44 (32/98) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -2.863 -0.063 0.000) 2.864 0.984 ( -1.902 0.292 0.000) 1.924 1.405 ( -6.402 -1.327 0.000) 6.538 1.485 ( -6.828 -4.600 0.000) 8.233 1.591 ( -5.238 2.278 0.000) 5.712 1.644 ( -2.836 -1.977 0.000) 3.457 1.649 ( -4.441 -1.190 0.000) 4.598 1.687 ( -3.493 -2.037 0.000) 4.044 1.708 ( -2.781 -2.911 0.000) 4.026 1.798 ( -2.099 -2.232 0.000) 3.064 1.891 ( -0.602 0.344 0.000) 0.694 1.964 ( 0.513 0.520 0.000) 0.730 2.045 ( -4.650 -1.430 0.000) 4.865 2.077 ( -0.747 0.789 0.000) 1.086 2.144 ( -0.569 0.106 0.000) 0.578 2.241 ( 0.005 0.490 0.000) 0.490 2.242 ( 0.197 1.726 0.000) 1.737 2.398 ( 3.319 0.058 0.000) 3.320 2.452 ( -4.193 0.501 0.000) 4.223 2.459 ( 1.831 0.881 0.000) 2.031 2.553 ( 2.447 -3.497 0.000) 4.268 2.562 ( 0.996 -1.043 0.000) 1.443 2.711 ( 2.242 0.463 0.000) 2.289 2.752 ( 1.066 0.039 0.000) 1.067 2.797 ( 1.719 0.188 0.000) 1.730 2.871 ( 2.559 0.542 0.000) 2.615 2.887 ( 4.395 0.039 0.000) 4.395 2.935 ( 3.005 0.777 0.000) 3.104 3.054 ( -2.562 0.103 0.000) 2.564 3.141 ( -2.206 -0.091 0.000) 2.208 3.209 ( -1.609 1.019 0.000) 1.904 3.232 ( 1.658 0.327 0.000) 1.689 3.388 ( -9.491 0.856 0.000) 9.529 3.416 ( -8.888 1.379 0.000) 8.995 3.448 ( -7.248 0.596 0.000) 7.273 3.481 ( -7.630 1.116 0.000) 7.711 4.373 ( 0.298 -0.398 0.000) 0.497 4.384 ( -0.240 -0.657 0.000) 0.699 4.505 ( -1.894 0.641 0.000) 2.000 4.505 ( -1.642 0.081 0.000) 1.644 4.634 ( -1.286 2.435 0.000) 2.754 4.663 ( -1.436 1.277 0.000) 1.922 4.711 ( -0.839 0.661 0.000) 1.068 4.737 ( -0.628 1.587 0.000) 1.707 4.750 ( 0.391 -1.272 0.000) 1.331 4.776 ( -0.114 -0.782 0.000) 0.790 5.002 ( 0.829 -1.123 0.000) 1.396 5.033 ( 0.736 -0.116 0.000) 0.745 5.154 ( -0.514 -2.064 0.000) 2.128 5.211 ( -2.852 -1.726 0.000) 3.334 5.228 ( -2.236 -0.072 0.000) 2.237 5.260 ( -0.194 -0.968 0.000) 0.987 5.282 ( -1.364 0.608 0.000) 1.493 5.290 ( -1.400 -0.072 0.000) 1.402 5.317 ( -0.399 -1.459 0.000) 1.512 5.369 ( -0.593 -0.130 0.000) 0.607 5.573 ( -0.944 -0.018 0.000) 0.944 5.580 ( 0.960 -0.187 0.000) 0.978 5.798 ( -10.687 0.081 0.000) 10.687 5.815 ( -7.994 -0.842 0.000) 8.038 5.859 ( -6.746 -0.255 0.000) 6.751 5.989 ( -2.208 -0.026 0.000) 2.208 5.994 ( 0.841 -0.049 0.000) 0.842 6.033 ( -0.873 -0.495 0.000) 1.004 6.577 ( 9.496 -0.151 0.000) 9.497 6.596 ( 9.350 -0.044 0.000) 9.350 ======================= Grid point 45 (33/98) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -4.547 -0.275 0.000) 4.555 0.932 ( -3.208 0.537 0.000) 3.253 1.273 ( -8.894 -3.274 0.000) 9.478 1.453 ( 0.470 -5.277 0.000) 5.298 1.455 ( -6.910 4.608 0.000) 8.306 1.586 ( -3.679 -3.327 0.000) 4.960 1.599 ( -3.529 -1.139 0.000) 3.708 1.617 ( -8.581 -4.553 0.000) 9.714 1.627 ( -4.083 -4.215 0.000) 5.868 1.774 ( -2.369 -4.299 0.000) 4.909 1.831 ( -3.438 3.727 0.000) 5.070 1.957 ( -2.002 0.052 0.000) 2.003 2.030 ( 1.446 -3.815 0.000) 4.080 2.039 ( -2.405 2.081 0.000) 3.180 2.150 ( 0.958 -0.175 0.000) 0.974 2.238 ( 0.208 3.005 0.000) 3.013 2.241 ( -0.159 0.018 0.000) 0.160 2.375 ( -3.193 -2.385 0.000) 3.985 2.445 ( -3.414 3.320 0.000) 4.762 2.453 ( 1.197 0.276 0.000) 1.228 2.548 ( -2.395 -3.351 0.000) 4.119 2.619 ( 1.763 -3.730 0.000) 4.126 2.733 ( -1.282 0.871 0.000) 1.550 2.753 ( 0.364 0.703 0.000) 0.791 2.809 ( -1.155 -0.428 0.000) 1.232 2.912 ( -0.539 0.782 0.000) 0.950 2.964 ( 3.096 0.411 0.000) 3.123 2.965 ( -0.125 1.687 0.000) 1.692 3.029 ( -0.587 1.483 0.000) 1.596 3.079 ( -4.506 0.996 0.000) 4.615 3.113 ( -6.324 3.720 0.000) 7.337 3.188 ( -8.899 0.083 0.000) 8.900 3.216 ( -4.534 -0.940 0.000) 4.631 3.267 ( -2.884 0.039 0.000) 2.884 3.306 ( -5.957 1.915 0.000) 6.257 3.314 ( -7.184 2.509 0.000) 7.610 4.365 ( -1.515 0.029 0.000) 1.515 4.373 ( -1.576 -0.708 0.000) 1.727 4.447 ( -3.496 1.154 0.000) 3.681 4.465 ( -2.273 0.539 0.000) 2.336 4.586 ( -1.810 2.799 0.000) 3.333 4.627 ( -1.376 0.786 0.000) 1.585 4.677 ( -2.483 -1.694 0.000) 3.006 4.679 ( -4.172 -0.542 0.000) 4.207 4.766 ( 0.494 1.017 0.000) 1.131 4.776 ( -0.812 1.562 0.000) 1.760 5.036 ( 1.652 -0.415 0.000) 1.703 5.070 ( 2.915 -0.122 0.000) 2.917 5.177 ( -0.505 -0.215 0.000) 0.549 5.182 ( -1.619 -3.693 0.000) 4.032 5.187 ( 0.071 -2.496 0.000) 2.497 5.244 ( -1.882 0.051 0.000) 1.883 5.266 ( 0.479 0.687 0.000) 0.837 5.294 ( 1.642 -2.373 0.000) 2.886 5.335 ( 1.525 -1.537 0.000) 2.165 5.354 ( -0.895 -0.664 0.000) 1.114 5.549 ( -1.583 -0.376 0.000) 1.627 5.608 ( 1.838 0.121 0.000) 1.842 5.609 ( -7.703 -0.029 0.000) 7.703 5.626 ( -8.394 -0.191 0.000) 8.396 5.816 ( -2.006 -1.541 0.000) 2.529 5.954 ( -2.015 -0.430 0.000) 2.061 5.989 ( -1.672 0.734 0.000) 1.826 6.035 ( 0.902 -1.697 0.000) 1.922 6.732 ( 6.634 -0.264 0.000) 6.639 6.747 ( 6.456 -0.137 0.000) 6.458 ======================= Grid point 46 (34/98) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -5.399 -0.779 0.000) 5.455 0.862 ( -3.575 0.774 0.000) 3.658 1.111 ( -7.551 4.340 0.000) 8.710 1.278 ( -8.197 7.802 0.000) 11.316 1.429 ( -10.009 -4.076 0.000) 10.807 1.499 ( -5.650 3.314 0.000) 6.550 1.523 ( 0.236 -5.318 0.000) 5.323 1.571 ( -1.298 -3.984 0.000) 4.190 1.602 ( -2.067 -6.103 0.000) 6.443 1.736 ( -4.959 -5.382 0.000) 7.318 1.743 ( -3.926 -1.447 0.000) 4.184 1.889 ( -4.707 -0.748 0.000) 4.766 1.975 ( -2.474 2.510 0.000) 3.524 2.095 ( 1.257 -4.091 0.000) 4.280 2.155 ( -2.604 1.719 0.000) 3.120 2.192 ( -4.237 2.678 0.000) 5.012 2.205 ( -3.096 0.379 0.000) 3.119 2.320 ( -5.542 2.190 0.000) 5.959 2.354 ( -0.620 -2.536 0.000) 2.610 2.426 ( -4.383 -2.555 0.000) 5.073 2.511 ( -3.800 -2.065 0.000) 4.325 2.631 ( -2.057 -0.877 0.000) 2.237 2.637 ( -6.489 5.428 0.000) 8.460 2.753 ( -3.430 1.268 0.000) 3.657 2.787 ( -0.670 -0.632 0.000) 0.921 2.809 ( -8.962 3.593 0.000) 9.656 2.837 ( -7.201 5.056 0.000) 8.798 2.876 ( -8.602 5.231 0.000) 10.068 2.894 ( -5.015 3.505 0.000) 6.118 3.014 ( -0.674 2.800 0.000) 2.880 3.114 ( 0.897 -1.300 0.000) 1.580 3.144 ( 0.513 -3.441 0.000) 3.479 3.157 ( -2.003 -1.043 0.000) 2.259 3.213 ( -4.241 -1.141 0.000) 4.392 3.223 ( -1.722 -0.078 0.000) 1.724 3.266 ( 2.564 -1.445 0.000) 2.943 4.307 ( -4.288 1.002 0.000) 4.403 4.319 ( -4.326 0.535 0.000) 4.359 4.358 ( -4.928 1.803 0.000) 5.247 4.414 ( -2.961 -0.088 0.000) 2.963 4.552 ( -0.699 0.640 0.000) 0.948 4.598 ( -4.494 -1.011 0.000) 4.606 4.625 ( 1.458 -1.187 0.000) 1.880 4.637 ( -2.571 -1.976 0.000) 3.243 4.726 ( -3.121 1.267 0.000) 3.368 4.759 ( -0.358 1.372 0.000) 1.418 5.059 ( 0.925 0.541 0.000) 1.072 5.120 ( 0.679 0.237 0.000) 0.719 5.155 ( 1.084 -0.206 0.000) 1.104 5.177 ( -1.115 -3.149 0.000) 3.341 5.195 ( -1.839 0.014 0.000) 1.839 5.265 ( 3.870 -1.729 0.000) 4.239 5.301 ( 3.152 0.737 0.000) 3.237 5.352 ( 0.909 -0.113 0.000) 0.916 5.358 ( 3.449 -2.070 0.000) 4.022 5.391 ( 2.772 -1.362 0.000) 3.089 5.516 ( -2.279 -0.372 0.000) 2.309 5.516 ( -2.333 -0.040 0.000) 2.333 5.523 ( -2.333 -0.361 0.000) 2.361 5.641 ( 1.678 0.974 0.000) 1.940 5.780 ( -2.779 -2.206 0.000) 3.548 5.917 ( -2.032 -0.875 0.000) 2.212 5.942 ( -2.359 0.539 0.000) 2.420 6.069 ( 1.508 -1.941 0.000) 2.458 6.833 ( 3.878 -0.440 0.000) 3.903 6.844 ( 3.628 -0.236 0.000) 3.636 ======================= Grid point 47 (35/98) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -4.169 -1.732 0.000) 4.515 0.793 ( -3.137 1.152 0.000) 3.342 0.945 ( -4.927 12.981 0.000) 13.884 1.068 ( -7.745 11.663 0.000) 14.001 1.267 ( -8.238 -2.832 0.000) 8.712 1.355 ( -6.973 5.890 0.000) 9.128 1.475 ( -7.825 3.251 0.000) 8.474 1.554 ( 0.339 -3.437 0.000) 3.454 1.586 ( -4.436 -3.230 0.000) 5.487 1.655 ( -3.224 -2.100 0.000) 3.848 1.745 ( -2.808 -8.652 0.000) 9.096 1.823 ( -1.482 -3.108 0.000) 3.443 1.904 ( -14.290 7.732 0.000) 16.248 1.919 ( -4.062 1.546 0.000) 4.346 2.053 ( -7.025 -1.514 0.000) 7.186 2.135 ( -4.031 -0.135 0.000) 4.033 2.145 ( -3.945 1.026 0.000) 4.076 2.251 ( -0.602 1.260 0.000) 1.396 2.364 ( -1.700 -2.277 0.000) 2.842 2.370 ( -0.338 -1.665 0.000) 1.699 2.421 ( -5.915 2.088 0.000) 6.273 2.448 ( -7.048 7.652 0.000) 10.403 2.547 ( -5.441 3.494 0.000) 6.466 2.581 ( -7.247 6.660 0.000) 9.842 2.613 ( -7.847 1.691 0.000) 8.027 2.706 ( -4.618 5.041 0.000) 6.837 2.773 ( -4.448 1.192 0.000) 4.605 2.800 ( -0.195 0.858 0.000) 0.880 2.822 ( -0.417 -1.068 0.000) 1.146 2.971 ( -0.831 4.831 0.000) 4.902 3.100 ( -3.221 -1.112 0.000) 3.408 3.134 ( -1.536 -2.684 0.000) 3.093 3.153 ( -1.579 -5.251 0.000) 5.484 3.168 ( -0.893 -5.128 0.000) 5.205 3.254 ( 2.518 -3.459 0.000) 4.278 3.342 ( 3.427 -1.545 0.000) 3.759 4.201 ( -5.581 1.853 0.000) 5.880 4.215 ( -5.425 1.768 0.000) 5.706 4.241 ( -6.474 1.350 0.000) 6.613 4.336 ( -6.634 -2.824 0.000) 7.210 4.526 ( -3.500 -1.185 0.000) 3.695 4.545 ( -0.239 -0.593 0.000) 0.639 4.608 ( -1.432 -1.997 0.000) 2.457 4.666 ( -2.045 0.466 0.000) 2.098 4.704 ( 5.658 -1.285 0.000) 5.803 4.742 ( -0.506 1.609 0.000) 1.686 5.075 ( 1.339 0.819 0.000) 1.569 5.113 ( -0.111 0.010 0.000) 0.111 5.159 ( -1.178 0.362 0.000) 1.232 5.175 ( -0.496 -2.382 0.000) 2.433 5.208 ( 2.340 -1.017 0.000) 2.551 5.348 ( 3.751 -0.178 0.000) 3.755 5.350 ( 1.716 0.713 0.000) 1.858 5.382 ( 2.291 1.054 0.000) 2.522 5.425 ( 1.637 -0.761 0.000) 1.805 5.434 ( 1.235 0.241 0.000) 1.258 5.479 ( -1.080 -0.120 0.000) 1.087 5.495 ( -0.339 0.045 0.000) 0.342 5.534 ( 2.237 -0.497 0.000) 2.291 5.647 ( -0.250 2.738 0.000) 2.750 5.745 ( -1.756 -2.426 0.000) 2.995 5.895 ( -0.471 -0.394 0.000) 0.614 5.911 ( -0.341 0.524 0.000) 0.626 6.113 ( 1.801 -2.537 0.000) 3.112 6.887 ( 1.570 -0.642 0.000) 1.697 6.891 ( 1.364 -0.256 0.000) 1.388 ======================= Grid point 48 (36/98) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -1.064 -2.997 0.000) 3.181 0.718 ( -3.742 4.846 0.000) 6.122 0.785 ( -3.166 17.592 0.000) 17.875 0.895 ( -2.382 12.185 0.000) 12.415 1.159 ( -3.886 -0.237 0.000) 3.894 1.174 ( -7.972 6.131 0.000) 10.057 1.307 ( -5.346 7.593 0.000) 9.286 1.467 ( -4.385 8.047 0.000) 9.164 1.505 ( -10.118 16.295 0.000) 19.181 1.613 ( -4.377 -1.580 0.000) 4.654 1.657 ( 0.299 -2.548 0.000) 2.565 1.704 ( -2.692 -3.168 0.000) 4.158 1.764 ( -8.039 1.578 0.000) 8.192 1.804 ( -6.493 -4.621 0.000) 7.969 2.030 ( -1.042 1.034 0.000) 1.468 2.036 ( 0.930 -5.826 0.000) 5.900 2.085 ( -4.055 -0.885 0.000) 4.150 2.225 ( -4.564 8.321 0.000) 9.491 2.252 ( -1.221 5.436 0.000) 5.571 2.342 ( -1.040 -1.386 0.000) 1.733 2.376 ( -0.614 2.050 0.000) 2.140 2.385 ( -0.654 0.347 0.000) 0.741 2.437 ( -3.926 4.100 0.000) 5.677 2.450 ( -1.667 2.046 0.000) 2.639 2.510 ( -4.063 -1.016 0.000) 4.188 2.591 ( -4.545 4.915 0.000) 6.694 2.688 ( -2.936 1.950 0.000) 3.524 2.780 ( -0.578 3.711 0.000) 3.756 2.823 ( -1.081 -3.869 0.000) 4.017 2.949 ( 0.389 2.370 0.000) 2.402 3.058 ( -0.639 0.269 0.000) 0.694 3.137 ( -1.236 -9.245 0.000) 9.327 3.161 ( -0.586 -5.656 0.000) 5.687 3.200 ( 1.302 -2.640 0.000) 2.943 3.317 ( 1.661 -4.191 0.000) 4.509 3.400 ( 1.794 -1.649 0.000) 2.436 4.095 ( -4.155 1.695 0.000) 4.487 4.110 ( -5.681 1.413 0.000) 5.854 4.113 ( -3.913 1.598 0.000) 4.226 4.186 ( -10.401 -2.802 0.000) 10.772 4.481 ( -1.891 -1.292 0.000) 2.291 4.545 ( -0.213 -1.101 0.000) 1.122 4.603 ( -0.381 -1.889 0.000) 1.927 4.638 ( -0.615 0.565 0.000) 0.835 4.724 ( -0.371 1.900 0.000) 1.936 4.839 ( 6.618 -1.851 0.000) 6.872 5.111 ( 3.333 0.626 0.000) 3.391 5.124 ( 1.033 -0.566 0.000) 1.178 5.143 ( -0.432 -0.262 0.000) 0.506 5.183 ( 0.057 -2.067 0.000) 2.068 5.249 ( 1.530 -0.179 0.000) 1.541 5.360 ( -0.030 0.362 0.000) 0.363 5.381 ( -1.678 -0.989 0.000) 1.948 5.410 ( 0.478 1.005 0.000) 1.113 5.426 ( 1.231 0.797 0.000) 1.467 5.444 ( 0.321 0.266 0.000) 0.417 5.471 ( -2.612 -0.395 0.000) 2.641 5.488 ( 0.693 1.604 0.000) 1.747 5.577 ( 1.760 0.157 0.000) 1.767 5.613 ( -0.681 4.680 0.000) 4.730 5.750 ( 0.906 -1.579 0.000) 1.820 5.900 ( 1.009 1.705 0.000) 1.981 5.916 ( 0.825 1.165 0.000) 1.428 6.162 ( 1.490 -3.360 0.000) 3.676 6.903 ( -0.084 -0.405 0.000) 0.414 6.904 ( -0.016 -0.273 0.000) 0.273 ======================= Grid point 49 (37/98) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 0.000 -3.159 0.000) 3.159 0.617 ( -0.000 13.163 0.000) 13.163 0.657 ( -0.000 17.366 0.000) 17.366 0.843 ( -0.000 5.351 0.000) 5.351 1.043 ( -0.000 6.881 0.000) 6.881 1.090 ( -0.000 18.682 0.000) 18.682 1.186 ( -0.000 11.688 0.000) 11.688 1.296 ( -0.000 5.927 0.000) 5.927 1.366 ( -0.000 12.370 0.000) 12.370 1.578 ( 0.000 -0.311 0.000) 0.311 1.654 ( -0.000 1.341 0.000) 1.341 1.689 ( 0.000 -0.850 0.000) 0.850 1.705 ( 0.000 -1.885 0.000) 1.885 1.753 ( 0.000 -7.068 0.000) 7.068 2.020 ( -0.000 0.970 0.000) 0.970 2.050 ( 0.000 -1.521 0.000) 1.521 2.085 ( -0.000 14.334 0.000) 14.334 2.088 ( 0.000 -7.169 0.000) 7.169 2.252 ( -0.000 3.400 0.000) 3.400 2.338 ( -0.000 4.335 0.000) 4.335 2.342 ( 0.000 -1.509 0.000) 1.509 2.369 ( 0.000 -1.244 0.000) 1.244 2.402 ( -0.000 3.243 0.000) 3.243 2.443 ( -0.000 0.140 0.000) 0.140 2.463 ( 0.000 -1.086 0.000) 1.086 2.513 ( -0.000 4.618 0.000) 4.618 2.654 ( -0.000 0.932 0.000) 0.932 2.749 ( -0.000 5.069 0.000) 5.069 2.832 ( 0.000 -3.988 0.000) 3.988 2.948 ( -0.000 0.696 0.000) 0.696 3.062 ( 0.000 -1.268 0.000) 1.268 3.183 ( 0.000 -10.088 0.000) 10.088 3.185 ( 0.000 -4.931 0.000) 4.931 3.230 ( 0.000 -1.085 0.000) 1.085 3.356 ( 0.000 -3.894 0.000) 3.894 3.428 ( 0.000 -2.367 0.000) 2.367 4.035 ( -0.000 1.454 0.000) 1.454 4.037 ( -0.000 1.781 0.000) 1.781 4.049 ( -0.000 1.678 0.000) 1.678 4.072 ( -0.000 1.580 0.000) 1.580 4.470 ( 0.000 -1.579 0.000) 1.579 4.551 ( 0.000 -1.811 0.000) 1.811 4.609 ( 0.000 -1.739 0.000) 1.739 4.630 ( -0.000 0.797 0.000) 0.797 4.710 ( -0.000 1.909 0.000) 1.909 4.923 ( 0.000 -2.403 0.000) 2.403 5.138 ( 0.000 -0.261 0.000) 0.261 5.147 ( 0.000 -0.797 0.000) 0.797 5.179 ( 0.000 -2.655 0.000) 2.655 5.206 ( 0.000 -2.289 0.000) 2.289 5.265 ( -0.000 0.201 0.000) 0.201 5.344 ( 0.000 -0.560 0.000) 0.560 5.354 ( 0.000 -0.457 0.000) 0.457 5.383 ( -0.000 2.051 0.000) 2.051 5.438 ( -0.000 0.743 0.000) 0.743 5.442 ( -0.000 0.856 0.000) 0.856 5.447 ( -0.000 0.340 0.000) 0.340 5.478 ( -0.000 1.974 0.000) 1.974 5.580 ( -0.000 5.648 0.000) 5.648 5.592 ( -0.000 0.733 0.000) 0.733 5.771 ( 0.000 -0.951 0.000) 0.951 5.899 ( -0.000 3.086 0.000) 3.086 5.917 ( -0.000 1.565 0.000) 1.565 6.197 ( 0.000 -3.849 0.000) 3.849 6.898 ( 0.000 -0.032 0.000) 0.032 6.903 ( -0.000 0.058 0.000) 0.058 ======================= Grid point 56 (38/98) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -2.886 0.000 0.000) 2.886 0.986 ( -1.857 0.000 0.000) 1.857 1.399 ( -10.337 0.000 0.000) 10.337 1.457 ( -3.710 0.000 0.000) 3.710 1.609 ( -4.048 0.000 0.000) 4.048 1.627 ( -3.647 0.000 0.000) 3.647 1.643 ( -4.738 0.000 0.000) 4.738 1.675 ( -4.246 0.000 0.000) 4.246 1.692 ( -2.887 0.000 0.000) 2.887 1.786 ( -1.974 0.000 0.000) 1.974 1.893 ( 0.468 -0.000 0.000) 0.468 1.967 ( 0.166 -0.000 0.000) 0.166 2.037 ( -4.926 0.000 0.000) 4.926 2.082 ( -0.557 0.000 0.000) 0.557 2.144 ( -0.760 0.000 0.000) 0.760 2.244 ( -0.189 0.000 0.000) 0.189 2.252 ( 0.423 -0.000 0.000) 0.423 2.397 ( 2.294 -0.000 0.000) 2.294 2.457 ( -3.784 0.000 0.000) 3.784 2.464 ( 2.371 -0.000 0.000) 2.371 2.531 ( 2.601 -0.000 0.000) 2.601 2.556 ( 0.392 -0.000 0.000) 0.392 2.713 ( 2.166 -0.000 0.000) 2.166 2.752 ( 1.404 -0.000 0.000) 1.404 2.798 ( 1.446 -0.000 0.000) 1.446 2.874 ( 2.238 -0.000 0.000) 2.238 2.887 ( 4.550 -0.000 0.000) 4.550 2.940 ( 3.189 -0.000 0.000) 3.189 3.055 ( -2.530 0.000 0.000) 2.530 3.141 ( -2.243 0.000 0.000) 2.243 3.215 ( -1.383 0.000 0.000) 1.383 3.234 ( 1.660 -0.000 0.000) 1.660 3.393 ( -9.571 0.000 0.000) 9.571 3.423 ( -9.131 0.000 0.000) 9.131 3.451 ( -6.895 0.000 0.000) 6.895 3.487 ( -7.072 0.000 0.000) 7.072 4.370 ( 0.369 -0.000 0.000) 0.369 4.380 ( -0.239 0.000 0.000) 0.239 4.505 ( -1.638 0.000 0.000) 1.638 4.508 ( -1.899 0.000 0.000) 1.899 4.648 ( -0.768 0.000 0.000) 0.768 4.671 ( -1.355 0.000 0.000) 1.355 4.717 ( -3.378 0.000 0.000) 3.378 4.740 ( 2.686 -0.000 0.000) 2.686 4.750 ( -3.135 0.000 0.000) 3.135 4.769 ( 2.550 -0.000 0.000) 2.550 4.996 ( 0.762 -0.000 0.000) 0.762 5.032 ( 0.728 -0.000 0.000) 0.728 5.143 ( -0.738 0.000 0.000) 0.738 5.201 ( -3.246 0.000 0.000) 3.246 5.228 ( -2.337 0.000 0.000) 2.337 5.254 ( -0.158 0.000 0.000) 0.158 5.287 ( -1.405 0.000 0.000) 1.405 5.290 ( -1.578 0.000 0.000) 1.578 5.307 ( -0.418 0.000 0.000) 0.418 5.368 ( -0.588 0.000 0.000) 0.588 5.573 ( -1.113 0.000 0.000) 1.113 5.578 ( 1.120 -0.000 0.000) 1.120 5.799 ( -11.231 0.000 0.000) 11.231 5.810 ( -6.963 0.000 0.000) 6.963 5.857 ( -7.340 0.000 0.000) 7.340 5.989 ( -2.298 0.000 0.000) 2.298 5.993 ( 1.011 -0.000 0.000) 1.011 6.030 ( -1.106 0.000 0.000) 1.106 6.576 ( 9.490 -0.000 0.000) 9.490 6.595 ( 9.334 -0.000 0.000) 9.334 ======================= Grid point 58 (39/98) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -4.643 -0.094 0.000) 4.644 0.936 ( -3.191 0.191 0.000) 3.197 1.251 ( -5.462 -0.891 0.000) 5.534 1.408 ( -1.574 -2.392 0.000) 2.863 1.505 ( -5.331 4.549 0.000) 7.009 1.562 ( -4.125 -1.114 0.000) 4.273 1.565 ( -3.875 -4.411 0.000) 5.871 1.584 ( -8.739 -1.602 0.000) 8.885 1.607 ( -3.345 -0.224 0.000) 3.353 1.741 ( -3.265 -1.694 0.000) 3.678 1.874 ( -1.773 3.598 0.000) 4.011 1.944 ( -2.396 -2.278 0.000) 3.306 2.002 ( -0.066 -1.142 0.000) 1.144 2.056 ( -1.989 0.862 0.000) 2.168 2.149 ( 1.282 -0.030 0.000) 1.283 2.241 ( -0.268 0.000 0.000) 0.268 2.265 ( 0.982 1.770 0.000) 2.024 2.349 ( -4.329 -1.811 0.000) 4.692 2.458 ( 0.127 0.416 0.000) 0.435 2.479 ( -3.382 3.092 0.000) 4.583 2.513 ( -2.287 -3.166 0.000) 3.906 2.589 ( 2.680 -1.562 0.000) 3.102 2.738 ( 0.325 0.121 0.000) 0.347 2.759 ( -1.182 0.300 0.000) 1.219 2.806 ( -1.191 -0.096 0.000) 1.194 2.918 ( -0.302 0.215 0.000) 0.370 2.967 ( 3.354 0.140 0.000) 3.357 2.979 ( 0.528 0.771 0.000) 0.935 3.037 ( 1.755 0.234 0.000) 1.771 3.087 ( -2.564 0.417 0.000) 2.598 3.152 ( -5.028 2.793 0.000) 5.752 3.188 ( -10.695 -0.057 0.000) 10.695 3.202 ( -7.776 -1.452 0.000) 7.911 3.266 ( -2.961 -0.124 0.000) 2.964 3.320 ( -6.042 0.666 0.000) 6.079 3.332 ( -7.922 0.919 0.000) 7.976 4.366 ( -1.224 -0.002 0.000) 1.224 4.368 ( -1.440 -0.292 0.000) 1.470 4.454 ( -3.361 0.315 0.000) 3.375 4.469 ( -2.033 0.134 0.000) 2.037 4.616 ( -2.143 2.463 0.000) 3.265 4.635 ( -2.037 0.496 0.000) 2.097 4.656 ( -3.091 -1.918 0.000) 3.638 4.674 ( -4.610 -0.360 0.000) 4.624 4.775 ( 0.781 0.476 0.000) 0.915 4.790 ( -0.719 0.773 0.000) 1.056 5.033 ( 2.472 -0.140 0.000) 2.476 5.068 ( 2.931 -0.127 0.000) 2.934 5.153 ( -1.801 -1.502 0.000) 2.345 5.164 ( 2.616 -0.986 0.000) 2.795 5.180 ( -2.202 0.067 0.000) 2.203 5.245 ( -2.117 0.073 0.000) 2.119 5.274 ( 0.544 0.583 0.000) 0.798 5.275 ( 1.451 -1.035 0.000) 1.782 5.318 ( 1.464 -1.108 0.000) 1.836 5.352 ( -0.885 -0.027 0.000) 0.886 5.547 ( -1.688 -0.120 0.000) 1.692 5.609 ( -7.597 0.001 0.000) 7.597 5.609 ( 2.019 0.044 0.000) 2.020 5.624 ( -8.358 -0.086 0.000) 8.359 5.805 ( -2.185 -0.554 0.000) 2.254 5.951 ( -2.138 -0.147 0.000) 2.143 5.996 ( -2.048 0.560 0.000) 2.124 6.021 ( 1.234 -0.907 0.000) 1.531 6.730 ( 6.611 -0.092 0.000) 6.611 6.746 ( 6.430 -0.049 0.000) 6.430 ======================= Grid point 59 (40/98) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -5.618 -0.402 0.000) 5.632 0.869 ( -3.487 0.434 0.000) 3.514 1.176 ( -1.502 7.036 0.000) 7.194 1.362 ( -6.159 7.932 0.000) 10.042 1.397 ( -8.273 -1.977 0.000) 8.506 1.450 ( -0.501 -7.641 0.000) 7.658 1.513 ( -1.612 -5.048 0.000) 5.299 1.528 ( -3.953 -5.482 0.000) 6.758 1.540 ( -2.280 1.992 0.000) 3.027 1.682 ( -4.533 -4.480 0.000) 6.373 1.773 ( -7.026 5.113 0.000) 8.689 1.877 ( -4.373 -1.594 0.000) 4.655 1.999 ( -2.929 1.748 0.000) 3.411 2.047 ( 2.118 -4.174 0.000) 4.680 2.176 ( -0.754 1.954 0.000) 2.094 2.206 ( -3.312 -0.330 0.000) 3.328 2.222 ( -5.523 2.669 0.000) 6.134 2.320 ( -0.135 -3.296 0.000) 3.299 2.335 ( -7.000 0.827 0.000) 7.049 2.404 ( -5.117 -1.476 0.000) 5.326 2.495 ( -2.349 -0.866 0.000) 2.504 2.626 ( 0.071 -0.162 0.000) 0.177 2.684 ( -4.603 3.437 0.000) 5.745 2.746 ( -1.415 -1.635 0.000) 2.163 2.781 ( -0.487 -0.414 0.000) 0.639 2.835 ( -7.041 1.172 0.000) 7.138 2.903 ( -9.417 5.667 0.000) 10.990 2.926 ( -7.418 3.804 0.000) 8.337 2.944 ( -5.108 5.780 0.000) 7.714 3.041 ( 0.455 2.388 0.000) 2.431 3.079 ( -3.613 -4.829 0.000) 6.031 3.105 ( -0.347 -3.625 0.000) 3.641 3.141 ( -1.973 -1.666 0.000) 2.582 3.212 ( -3.774 0.811 0.000) 3.860 3.222 ( -3.772 -0.055 0.000) 3.772 3.251 ( 1.844 -1.300 0.000) 2.256 4.315 ( -3.918 0.497 0.000) 3.950 4.321 ( -3.665 -0.054 0.000) 3.665 4.375 ( -4.880 1.087 0.000) 5.000 4.417 ( -3.776 0.360 0.000) 3.794 4.564 ( -1.689 1.432 0.000) 2.214 4.588 ( -4.573 -0.869 0.000) 4.655 4.614 ( -2.594 -2.252 0.000) 3.435 4.615 ( 0.885 -0.573 0.000) 1.054 4.737 ( -3.589 0.793 0.000) 3.675 4.771 ( -0.437 0.813 0.000) 0.922 5.067 ( 1.201 0.844 0.000) 1.468 5.125 ( 1.011 0.696 0.000) 1.227 5.147 ( -0.422 -2.285 0.000) 2.323 5.147 ( 0.725 -1.072 0.000) 1.294 5.197 ( -2.335 0.140 0.000) 2.339 5.255 ( 5.416 -0.200 0.000) 5.420 5.309 ( 3.213 0.755 0.000) 3.300 5.337 ( 3.941 -1.664 0.000) 4.278 5.350 ( 1.292 -0.280 0.000) 1.322 5.378 ( 3.520 -0.895 0.000) 3.632 5.510 ( -2.231 -0.368 0.000) 2.262 5.518 ( -2.707 -0.014 0.000) 2.707 5.521 ( -2.015 0.072 0.000) 2.016 5.649 ( 2.159 0.523 0.000) 2.222 5.760 ( -2.955 -1.382 0.000) 3.262 5.911 ( -1.995 -0.397 0.000) 2.034 5.947 ( -2.476 0.346 0.000) 2.500 6.053 ( 1.490 -1.127 0.000) 1.868 6.830 ( 3.833 -0.230 0.000) 3.840 6.842 ( 3.615 -0.129 0.000) 3.618 ======================= Grid point 60 (41/98) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -4.603 -1.068 0.000) 4.725 0.805 ( -2.801 0.941 0.000) 2.955 1.097 ( -1.356 14.610 0.000) 14.673 1.193 ( -5.733 11.425 0.000) 12.783 1.253 ( -5.642 0.416 0.000) 5.657 1.415 ( -6.982 4.398 0.000) 8.252 1.449 ( -3.320 -5.383 0.000) 6.325 1.538 ( -0.355 -4.600 0.000) 4.614 1.571 ( -4.634 3.861 0.000) 6.032 1.626 ( -3.214 -3.303 0.000) 4.609 1.627 ( 0.917 -12.590 0.000) 12.624 1.810 ( -3.138 0.413 0.000) 3.165 1.938 ( -3.172 1.821 0.000) 3.657 1.968 ( -12.780 3.852 0.000) 13.348 2.039 ( -10.447 -1.035 0.000) 10.498 2.096 ( -0.978 -4.414 0.000) 4.522 2.186 ( -3.770 4.199 0.000) 5.643 2.258 ( -0.641 0.066 0.000) 0.644 2.341 ( -1.548 -1.679 0.000) 2.284 2.350 ( 0.795 -1.931 0.000) 2.088 2.432 ( -3.862 0.697 0.000) 3.925 2.535 ( -7.462 7.363 0.000) 10.483 2.581 ( -3.908 2.592 0.000) 4.690 2.635 ( -9.846 2.140 0.000) 10.076 2.656 ( -7.015 7.102 0.000) 9.982 2.760 ( -3.433 4.361 0.000) 5.550 2.764 ( -3.531 -2.134 0.000) 4.126 2.810 ( -0.521 1.426 0.000) 1.518 2.843 ( -2.732 4.339 0.000) 5.127 3.026 ( -0.421 5.196 0.000) 5.213 3.037 ( -4.574 -8.380 0.000) 9.547 3.096 ( -2.644 -5.159 0.000) 5.797 3.108 ( -2.522 -4.115 0.000) 4.826 3.140 ( -2.503 -0.181 0.000) 2.510 3.213 ( 1.195 -4.066 0.000) 4.238 3.330 ( 3.986 -0.648 0.000) 4.039 4.218 ( -5.452 1.241 0.000) 5.591 4.231 ( -5.188 1.145 0.000) 5.313 4.255 ( -6.774 1.184 0.000) 6.877 4.313 ( -7.312 -1.463 0.000) 7.457 4.515 ( -3.395 -0.876 0.000) 3.506 4.541 ( -0.457 -0.112 0.000) 0.471 4.587 ( -1.326 -1.919 0.000) 2.333 4.667 ( -0.914 -0.246 0.000) 0.946 4.693 ( 4.276 -0.564 0.000) 4.313 4.758 ( -0.371 1.174 0.000) 1.232 5.082 ( 1.113 0.571 0.000) 1.251 5.112 ( -0.466 -0.108 0.000) 0.478 5.153 ( -0.047 -1.778 0.000) 1.779 5.156 ( -1.791 -0.660 0.000) 1.909 5.203 ( 2.917 -0.004 0.000) 2.917 5.351 ( 4.045 0.633 0.000) 4.094 5.357 ( 1.625 0.698 0.000) 1.769 5.390 ( 2.493 0.539 0.000) 2.551 5.416 ( 2.342 -0.822 0.000) 2.482 5.437 ( 1.906 0.412 0.000) 1.950 5.477 ( -0.428 -0.238 0.000) 0.490 5.496 ( -0.548 0.004 0.000) 0.548 5.529 ( 2.277 -0.310 0.000) 2.297 5.672 ( 0.595 1.862 0.000) 1.955 5.721 ( -1.427 -1.881 0.000) 2.362 5.893 ( 0.357 -0.024 0.000) 0.358 5.916 ( -0.230 0.375 0.000) 0.440 6.090 ( 1.600 -1.737 0.000) 2.361 6.882 ( 1.583 -0.378 0.000) 1.628 6.889 ( 1.410 -0.165 0.000) 1.420 ======================= Grid point 61 (42/98) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -1.577 -2.293 0.000) 2.783 0.752 ( -1.874 2.189 0.000) 2.882 0.956 ( -4.839 13.549 0.000) 14.387 1.043 ( -2.254 14.332 0.000) 14.508 1.178 ( -1.672 4.046 0.000) 4.378 1.238 ( -7.850 5.471 0.000) 9.568 1.372 ( -1.820 4.739 0.000) 5.076 1.538 ( -0.536 4.777 0.000) 4.807 1.540 ( 1.083 -4.836 0.000) 4.956 1.615 ( 0.108 -5.182 0.000) 5.183 1.679 ( -3.027 -2.502 0.000) 3.927 1.702 ( -9.320 10.751 0.000) 14.228 1.767 ( -3.866 0.002 0.000) 3.866 1.779 ( -9.012 1.167 0.000) 9.087 1.982 ( 0.250 -4.003 0.000) 4.011 2.041 ( -4.040 1.358 0.000) 4.263 2.069 ( -4.140 -1.193 0.000) 4.309 2.256 ( 0.171 0.843 0.000) 0.860 2.326 ( -0.749 -1.351 0.000) 1.545 2.352 ( -4.097 9.227 0.000) 10.096 2.384 ( 1.566 -0.159 0.000) 1.574 2.393 ( -1.458 1.456 0.000) 2.061 2.474 ( -5.700 1.162 0.000) 5.817 2.485 ( -3.413 3.665 0.000) 5.008 2.521 ( -3.513 4.413 0.000) 5.641 2.652 ( -3.975 6.385 0.000) 7.521 2.707 ( -3.129 0.668 0.000) 3.199 2.786 ( -2.272 -1.757 0.000) 2.872 2.811 ( 0.291 1.885 0.000) 1.907 2.982 ( -1.027 3.297 0.000) 3.453 3.015 ( -2.673 -10.355 0.000) 10.694 3.072 ( -0.978 -0.414 0.000) 1.062 3.100 ( -0.209 -5.276 0.000) 5.280 3.154 ( 0.537 -5.931 0.000) 5.955 3.266 ( 1.211 -5.277 0.000) 5.415 3.391 ( 2.087 -0.226 0.000) 2.100 4.112 ( -4.477 1.530 0.000) 4.731 4.124 ( -5.416 1.086 0.000) 5.524 4.130 ( -4.287 1.456 0.000) 4.527 4.166 ( -8.021 -1.044 0.000) 8.089 4.470 ( -1.795 -0.808 0.000) 1.968 4.538 ( -0.131 -0.282 0.000) 0.311 4.583 ( -0.272 -1.788 0.000) 1.809 4.642 ( -0.688 0.187 0.000) 0.713 4.744 ( -0.194 1.791 0.000) 1.802 4.821 ( 6.299 -1.525 0.000) 6.481 5.110 ( 1.968 -0.588 0.000) 2.054 5.116 ( 0.520 -0.853 0.000) 0.999 5.136 ( -0.778 -0.927 0.000) 1.210 5.165 ( 0.480 -1.341 0.000) 1.424 5.249 ( 1.873 0.149 0.000) 1.879 5.363 ( -0.689 0.269 0.000) 0.740 5.372 ( -1.635 -0.748 0.000) 1.798 5.420 ( 0.433 0.818 0.000) 0.925 5.438 ( 1.571 1.218 0.000) 1.988 5.446 ( -0.231 0.203 0.000) 0.307 5.468 ( -2.072 -0.227 0.000) 2.085 5.502 ( 1.349 0.983 0.000) 1.669 5.580 ( 2.477 0.384 0.000) 2.507 5.658 ( -0.106 3.570 0.000) 3.571 5.737 ( 1.636 -0.969 0.000) 1.902 5.918 ( 2.041 1.508 0.000) 2.538 5.928 ( 1.236 1.000 0.000) 1.590 6.130 ( 1.254 -2.552 0.000) 2.844 6.898 ( 0.125 -0.302 0.000) 0.327 6.903 ( 0.165 -0.070 0.000) 0.180 ======================= Grid point 62 (43/98) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 -3.264 0.000) 3.264 0.712 ( -0.000 5.054 0.000) 5.054 0.824 ( -0.000 13.558 0.000) 13.558 0.952 ( -0.000 14.088 0.000) 14.088 1.115 ( -0.000 6.189 0.000) 6.189 1.142 ( -0.000 2.719 0.000) 2.719 1.360 ( -0.000 5.793 0.000) 5.793 1.463 ( -0.000 27.666 0.000) 27.666 1.486 ( -0.000 9.867 0.000) 9.867 1.575 ( 0.000 -0.363 0.000) 0.363 1.661 ( 0.000 -4.716 0.000) 4.716 1.668 ( -0.000 1.242 0.000) 1.242 1.669 ( 0.000 -7.919 0.000) 7.919 1.693 ( 0.000 -0.349 0.000) 0.349 2.017 ( 0.000 -5.707 0.000) 5.707 2.023 ( 0.000 -0.673 0.000) 0.673 2.029 ( 0.000 -2.210 0.000) 2.210 2.228 ( -0.000 11.006 0.000) 11.006 2.287 ( -0.000 3.616 0.000) 3.616 2.326 ( 0.000 -1.448 0.000) 1.448 2.358 ( 0.000 -0.767 0.000) 0.767 2.387 ( -0.000 4.403 0.000) 4.403 2.444 ( -0.000 0.097 0.000) 0.097 2.446 ( -0.000 5.067 0.000) 5.067 2.452 ( 0.000 -0.872 0.000) 0.872 2.571 ( -0.000 6.363 0.000) 6.363 2.665 ( -0.000 1.238 0.000) 1.238 2.784 ( 0.000 -4.757 0.000) 4.757 2.796 ( -0.000 3.658 0.000) 3.658 2.961 ( -0.000 1.673 0.000) 1.673 3.039 ( 0.000 -6.345 0.000) 6.345 3.081 ( 0.000 -5.535 0.000) 5.535 3.128 ( 0.000 -5.352 0.000) 5.352 3.195 ( 0.000 -5.481 0.000) 5.481 3.307 ( 0.000 -5.192 0.000) 5.192 3.412 ( 0.000 -0.571 0.000) 0.571 4.051 ( -0.000 1.341 0.000) 1.341 4.056 ( -0.000 1.640 0.000) 1.640 4.067 ( -0.000 1.618 0.000) 1.618 4.089 ( -0.000 1.542 0.000) 1.542 4.457 ( 0.000 -0.933 0.000) 0.933 4.539 ( 0.000 -0.540 0.000) 0.540 4.590 ( 0.000 -1.756 0.000) 1.756 4.635 ( -0.000 0.280 0.000) 0.280 4.732 ( -0.000 2.085 0.000) 2.085 4.899 ( 0.000 -1.974 0.000) 1.974 5.130 ( 0.000 -1.211 0.000) 1.211 5.135 ( 0.000 -1.162 0.000) 1.162 5.150 ( 0.000 -2.767 0.000) 2.767 5.186 ( 0.000 -1.501 0.000) 1.501 5.268 ( -0.000 0.278 0.000) 0.278 5.339 ( 0.000 -0.490 0.000) 0.490 5.350 ( 0.000 -0.380 0.000) 0.380 5.403 ( -0.000 1.648 0.000) 1.648 5.446 ( -0.000 0.641 0.000) 0.641 5.449 ( 0.000 -0.039 0.000) 0.039 5.451 ( -0.000 0.740 0.000) 0.740 5.501 ( -0.000 2.289 0.000) 2.289 5.602 ( -0.000 1.047 0.000) 1.047 5.636 ( -0.000 4.658 0.000) 4.658 5.762 ( 0.000 -0.693 0.000) 0.693 5.930 ( -0.000 2.614 0.000) 2.614 5.934 ( -0.000 1.550 0.000) 1.550 6.159 ( 0.000 -3.253 0.000) 3.253 6.898 ( 0.000 -0.026 0.000) 0.026 6.903 ( -0.000 0.050 0.000) 0.050 ======================= Grid point 71 (44/98) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -5.689 0.000 0.000) 5.689 0.871 ( -3.445 0.000 0.000) 3.445 1.229 ( 2.845 -0.000 0.000) 2.845 1.380 ( -1.809 0.000 0.000) 1.809 1.399 ( -7.892 0.000 0.000) 7.892 1.438 ( -4.160 0.000 0.000) 4.160 1.458 ( -4.892 0.000 0.000) 4.892 1.485 ( -3.369 0.000 0.000) 3.369 1.564 ( -1.177 0.000 0.000) 1.177 1.652 ( -5.329 0.000 0.000) 5.329 1.813 ( -9.956 0.000 0.000) 9.956 1.860 ( -1.478 0.000 0.000) 1.478 2.009 ( -3.073 0.000 0.000) 3.073 2.022 ( 2.053 -0.000 0.000) 2.053 2.190 ( 2.653 -0.000 0.000) 2.653 2.201 ( -6.000 0.000 0.000) 6.000 2.241 ( -7.442 0.000 0.000) 7.442 2.297 ( 1.505 -0.000 0.000) 1.505 2.339 ( -7.564 0.000 0.000) 7.564 2.395 ( -5.356 0.000 0.000) 5.356 2.491 ( -1.770 0.000 0.000) 1.770 2.626 ( 0.836 -0.000 0.000) 0.836 2.707 ( -3.923 0.000 0.000) 3.923 2.731 ( -1.528 0.000 0.000) 1.528 2.779 ( -0.521 0.000 0.000) 0.521 2.840 ( -6.720 0.000 0.000) 6.720 2.934 ( -6.594 0.000 0.000) 6.594 2.948 ( -6.539 0.000 0.000) 6.539 3.014 ( -5.472 0.000 0.000) 5.472 3.016 ( -6.706 0.000 0.000) 6.706 3.067 ( 0.118 -0.000 0.000) 0.118 3.071 ( -0.176 0.000 0.000) 0.176 3.130 ( -3.113 0.000 0.000) 3.113 3.219 ( -3.190 0.000 0.000) 3.190 3.222 ( -4.607 0.000 0.000) 4.607 3.242 ( 1.780 -0.000 0.000) 1.780 4.318 ( -3.803 0.000 0.000) 3.803 4.321 ( -3.457 0.000 0.000) 3.457 4.380 ( -4.767 0.000 0.000) 4.767 4.419 ( -3.991 0.000 0.000) 3.991 4.577 ( -2.578 0.000 0.000) 2.578 4.583 ( -4.533 0.000 0.000) 4.533 4.595 ( -2.163 0.000 0.000) 2.163 4.612 ( 0.582 -0.000 0.000) 0.582 4.741 ( -3.814 0.000 0.000) 3.814 4.776 ( -0.495 0.000 0.000) 0.495 5.073 ( 1.275 -0.000 0.000) 1.275 5.133 ( -0.114 0.000 0.000) 0.114 5.134 ( 3.611 -0.000 0.000) 3.611 5.135 ( -1.821 0.000 0.000) 1.821 5.198 ( -2.513 0.000 0.000) 2.513 5.256 ( 6.008 -0.000 0.000) 6.008 5.314 ( 3.123 -0.000 0.000) 3.123 5.327 ( 4.068 -0.000 0.000) 4.068 5.348 ( 1.686 -0.000 0.000) 1.686 5.373 ( 3.652 -0.000 0.000) 3.652 5.508 ( -2.237 0.000 0.000) 2.237 5.517 ( -2.895 0.000 0.000) 2.895 5.522 ( -1.805 0.000 0.000) 1.805 5.652 ( 2.326 -0.000 0.000) 2.326 5.753 ( -3.044 0.000 0.000) 3.044 5.908 ( -1.970 0.000 0.000) 1.970 5.949 ( -2.536 0.000 0.000) 2.536 6.046 ( 1.506 -0.000 0.000) 1.506 6.828 ( 3.819 -0.000 0.000) 3.819 6.841 ( 3.611 -0.000 0.000) 3.611 ======================= Grid point 73 (45/98) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -4.820 -0.353 0.000) 4.833 0.812 ( -2.595 0.365 0.000) 2.621 1.220 ( -6.371 4.980 0.000) 8.087 1.295 ( 3.329 9.138 0.000) 9.726 1.310 ( -4.488 10.185 0.000) 11.130 1.397 ( -1.922 -4.075 0.000) 4.506 1.406 ( -5.178 -6.509 0.000) 8.318 1.489 ( 2.680 -11.219 0.000) 11.535 1.530 ( -2.059 3.405 0.000) 3.979 1.584 ( -1.439 -4.354 0.000) 4.585 1.603 ( -8.796 1.511 0.000) 8.925 1.822 ( -2.587 1.107 0.000) 2.814 1.954 ( -2.164 0.908 0.000) 2.347 1.993 ( -12.429 1.126 0.000) 12.480 2.031 ( -12.971 -0.474 0.000) 12.979 2.055 ( -0.176 -2.584 0.000) 2.590 2.226 ( -1.305 3.067 0.000) 3.333 2.251 ( -1.229 -1.410 0.000) 1.871 2.330 ( -0.869 -0.429 0.000) 0.969 2.333 ( 1.096 -0.997 0.000) 1.481 2.437 ( -3.338 0.272 0.000) 3.349 2.594 ( -7.193 3.070 0.000) 7.821 2.600 ( -3.203 0.898 0.000) 3.327 2.655 ( -7.577 1.479 0.000) 7.720 2.703 ( -6.403 -0.127 0.000) 6.404 2.769 ( -6.660 4.280 0.000) 7.916 2.786 ( 0.538 0.690 0.000) 0.875 2.836 ( -3.690 2.325 0.000) 4.362 2.886 ( -4.887 1.715 0.000) 5.179 2.954 ( -4.326 -4.923 0.000) 6.553 3.050 ( -3.164 -2.696 0.000) 4.157 3.062 ( -2.417 -3.357 0.000) 4.136 3.076 ( 0.565 3.469 0.000) 3.515 3.141 ( -4.469 0.084 0.000) 4.470 3.171 ( -0.556 -3.081 0.000) 3.131 3.326 ( 4.471 -0.111 0.000) 4.473 4.227 ( -5.313 0.421 0.000) 5.329 4.239 ( -4.844 0.343 0.000) 4.856 4.265 ( -7.055 0.495 0.000) 7.073 4.304 ( -7.762 -0.376 0.000) 7.771 4.508 ( -3.253 -0.337 0.000) 3.270 4.543 ( -0.722 0.239 0.000) 0.760 4.570 ( -1.006 -1.024 0.000) 1.435 4.663 ( 0.799 -0.264 0.000) 0.841 4.691 ( 2.407 -0.062 0.000) 2.407 4.766 ( -0.246 0.440 0.000) 0.504 5.087 ( 0.673 0.265 0.000) 0.724 5.111 ( -0.723 -0.059 0.000) 0.725 5.139 ( 0.397 -0.723 0.000) 0.825 5.150 ( -1.865 -0.393 0.000) 1.906 5.204 ( 2.989 0.100 0.000) 2.991 5.358 ( 3.620 0.435 0.000) 3.646 5.363 ( 1.543 0.302 0.000) 1.572 5.394 ( 2.516 0.131 0.000) 2.520 5.409 ( 3.530 -0.382 0.000) 3.550 5.441 ( 2.584 0.270 0.000) 2.598 5.475 ( -0.355 -0.145 0.000) 0.384 5.494 ( -0.818 -0.153 0.000) 0.832 5.528 ( 2.204 -0.004 0.000) 2.204 5.686 ( 1.077 0.664 0.000) 1.265 5.707 ( -1.079 -0.711 0.000) 1.292 5.894 ( 0.787 0.022 0.000) 0.787 5.919 ( -0.178 0.137 0.000) 0.225 6.077 ( 1.515 -0.617 0.000) 1.636 6.879 ( 1.602 -0.124 0.000) 1.607 6.888 ( 1.439 -0.057 0.000) 1.440 ======================= Grid point 74 (46/98) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -1.976 -1.180 0.000) 2.302 0.770 ( -1.392 1.127 0.000) 1.791 1.063 ( -6.804 6.365 0.000) 9.317 1.187 ( -1.695 11.717 0.000) 11.838 1.240 ( -2.766 6.593 0.000) 7.150 1.287 ( -6.852 3.797 0.000) 7.834 1.406 ( 2.145 1.024 0.000) 2.377 1.500 ( 0.371 -0.822 0.000) 0.901 1.527 ( 0.288 -7.108 0.000) 7.114 1.592 ( 0.595 1.675 0.000) 1.778 1.622 ( -1.484 -7.211 0.000) 7.362 1.748 ( -3.937 1.823 0.000) 4.339 1.789 ( -9.858 0.638 0.000) 9.879 1.822 ( -0.814 4.771 0.000) 4.840 1.951 ( 0.167 -1.734 0.000) 1.742 2.030 ( -3.440 -2.332 0.000) 4.156 2.102 ( -6.859 6.039 0.000) 9.139 2.255 ( -0.724 -1.129 0.000) 1.341 2.314 ( -0.638 -0.776 0.000) 1.004 2.380 ( 2.672 -0.412 0.000) 2.703 2.400 ( 0.342 1.434 0.000) 1.474 2.440 ( -5.980 3.454 0.000) 6.906 2.485 ( -6.169 3.872 0.000) 7.284 2.517 ( -4.104 2.042 0.000) 4.584 2.579 ( -4.553 3.915 0.000) 6.005 2.685 ( -3.053 -2.854 0.000) 4.179 2.725 ( -3.017 6.976 0.000) 7.600 2.802 ( -3.484 2.568 0.000) 4.328 2.820 ( 0.607 -0.348 0.000) 0.700 2.907 ( -3.132 -7.709 0.000) 8.321 2.991 ( -3.351 -2.551 0.000) 4.211 3.069 ( -0.100 -2.538 0.000) 2.540 3.078 ( 1.284 2.524 0.000) 2.831 3.085 ( -1.341 -4.287 0.000) 4.492 3.206 ( 0.784 -5.683 0.000) 5.737 3.392 ( 2.344 0.238 0.000) 2.356 4.126 ( -4.841 1.025 0.000) 4.948 4.133 ( -5.127 0.475 0.000) 5.149 4.143 ( -4.765 1.079 0.000) 4.885 4.159 ( -6.335 -0.523 0.000) 6.357 4.464 ( -1.649 -0.381 0.000) 1.693 4.538 ( 0.088 0.244 0.000) 0.259 4.565 ( -0.171 -1.311 0.000) 1.322 4.643 ( -0.741 0.015 0.000) 0.741 4.761 ( 0.012 1.151 0.000) 1.151 4.808 ( 6.228 -0.799 0.000) 6.279 5.103 ( 0.885 -0.669 0.000) 1.110 5.108 ( 0.175 -0.541 0.000) 0.569 5.126 ( -0.912 -0.829 0.000) 1.232 5.154 ( 0.893 -0.616 0.000) 1.085 5.251 ( 1.853 0.134 0.000) 1.858 5.365 ( -1.528 -0.347 0.000) 1.567 5.365 ( -1.324 0.106 0.000) 1.328 5.426 ( 0.881 0.370 0.000) 0.956 5.449 ( -1.525 0.262 0.000) 1.548 5.450 ( 1.329 0.908 0.000) 1.610 5.466 ( -1.068 -0.267 0.000) 1.101 5.509 ( 2.259 0.430 0.000) 2.300 5.584 ( 2.957 0.324 0.000) 2.974 5.688 ( 0.157 1.905 0.000) 1.911 5.729 ( 2.142 -0.440 0.000) 2.187 5.931 ( 2.620 0.846 0.000) 2.753 5.936 ( 1.569 0.591 0.000) 1.677 6.108 ( 1.134 -1.355 0.000) 1.767 6.896 ( 0.280 -0.134 0.000) 0.310 6.902 ( 0.242 -0.033 0.000) 0.244 ======================= Grid point 75 (47/98) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.000 -2.189 0.000) 2.189 0.747 ( -0.000 2.142 0.000) 2.142 0.944 ( -0.000 8.564 0.000) 8.564 1.116 ( -0.000 15.596 0.000) 15.596 1.172 ( -0.000 4.257 0.000) 4.257 1.184 ( -0.000 4.804 0.000) 4.804 1.416 ( -0.000 4.551 0.000) 4.551 1.566 ( 0.000 -7.544 0.000) 7.544 1.570 ( 0.000 -0.488 0.000) 0.488 1.572 ( -0.000 4.126 0.000) 4.126 1.588 ( 0.000 -6.977 0.000) 6.977 1.679 ( -0.000 0.868 0.000) 0.868 1.697 ( -0.000 0.924 0.000) 0.924 1.756 ( -0.000 22.877 0.000) 22.877 1.971 ( 0.000 -3.002 0.000) 3.002 2.001 ( 0.000 -2.400 0.000) 2.400 2.013 ( 0.000 -1.441 0.000) 1.441 2.268 ( 0.000 -1.694 0.000) 1.694 2.313 ( 0.000 -1.057 0.000) 1.057 2.352 ( 0.000 -0.257 0.000) 0.257 2.368 ( -0.000 9.328 0.000) 9.328 2.426 ( -0.000 2.732 0.000) 2.732 2.445 ( 0.000 -0.525 0.000) 0.525 2.445 ( -0.000 0.055 0.000) 0.055 2.507 ( -0.000 5.638 0.000) 5.638 2.649 ( -0.000 8.030 0.000) 8.030 2.667 ( 0.000 -2.424 0.000) 2.424 2.751 ( -0.000 0.448 0.000) 0.448 2.824 ( -0.000 1.271 0.000) 1.271 2.929 ( 0.000 -10.710 0.000) 10.710 2.970 ( 0.000 -1.203 0.000) 1.203 3.068 ( -0.000 0.127 0.000) 0.127 3.088 ( 0.000 -0.890 0.000) 0.890 3.120 ( 0.000 -7.889 0.000) 7.889 3.246 ( 0.000 -5.944 0.000) 5.944 3.412 ( -0.000 0.352 0.000) 0.352 4.063 ( -0.000 0.941 0.000) 0.941 4.071 ( -0.000 1.136 0.000) 1.136 4.083 ( -0.000 1.165 0.000) 1.165 4.103 ( -0.000 1.131 0.000) 1.131 4.450 ( 0.000 -0.434 0.000) 0.434 4.538 ( -0.000 0.274 0.000) 0.274 4.572 ( 0.000 -1.509 0.000) 1.509 4.637 ( -0.000 0.021 0.000) 0.021 4.753 ( -0.000 1.761 0.000) 1.761 4.882 ( 0.000 -1.166 0.000) 1.166 5.116 ( 0.000 -1.106 0.000) 1.106 5.123 ( 0.000 -2.150 0.000) 2.150 5.123 ( 0.000 -1.112 0.000) 1.112 5.174 ( 0.000 -0.809 0.000) 0.809 5.269 ( -0.000 0.023 0.000) 0.023 5.334 ( 0.000 -0.335 0.000) 0.335 5.347 ( 0.000 -0.251 0.000) 0.251 5.418 ( -0.000 1.176 0.000) 1.176 5.447 ( 0.000 -0.279 0.000) 0.279 5.452 ( -0.000 0.429 0.000) 0.429 5.458 ( -0.000 0.497 0.000) 0.497 5.524 ( -0.000 1.849 0.000) 1.849 5.612 ( -0.000 0.810 0.000) 0.810 5.677 ( -0.000 2.915 0.000) 2.915 5.756 ( 0.000 -0.331 0.000) 0.331 5.949 ( -0.000 1.188 0.000) 1.188 5.954 ( -0.000 1.725 0.000) 1.725 6.130 ( 0.000 -2.098 0.000) 2.098 6.898 ( 0.000 -0.017 0.000) 0.017 6.904 ( -0.000 0.034 0.000) 0.034 ======================= Grid point 86 (48/98) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -2.120 0.000 0.000) 2.120 0.776 ( -1.276 0.000 0.000) 1.276 1.097 ( -7.030 0.000 0.000) 7.030 1.259 ( -4.775 0.000 0.000) 4.775 1.284 ( -5.025 0.000 0.000) 5.025 1.317 ( -1.407 0.000 0.000) 1.407 1.401 ( 2.592 -0.000 0.000) 2.592 1.469 ( -2.570 0.000 0.000) 2.570 1.531 ( 1.336 -0.000 0.000) 1.336 1.550 ( 0.938 -0.000 0.000) 0.938 1.603 ( 2.024 -0.000 0.000) 2.024 1.760 ( -4.107 0.000 0.000) 4.107 1.792 ( -10.170 0.000 0.000) 10.170 1.846 ( 0.792 -0.000 0.000) 0.792 1.942 ( 0.212 -0.000 0.000) 0.212 2.015 ( -2.951 0.000 0.000) 2.951 2.147 ( -5.904 0.000 0.000) 5.904 2.242 ( -1.974 0.000 0.000) 1.974 2.310 ( -0.615 0.000 0.000) 0.615 2.378 ( 3.034 -0.000 0.000) 3.034 2.409 ( 1.211 -0.000 0.000) 1.211 2.445 ( -7.968 0.000 0.000) 7.968 2.528 ( -4.292 0.000 0.000) 4.292 2.553 ( -3.930 0.000 0.000) 3.930 2.560 ( -6.964 0.000 0.000) 6.964 2.685 ( -4.051 0.000 0.000) 4.051 2.781 ( -2.610 0.000 0.000) 2.610 2.793 ( -2.395 0.000 0.000) 2.395 2.804 ( 0.663 -0.000 0.000) 0.663 2.886 ( -3.705 0.000 0.000) 3.705 2.968 ( -3.425 0.000 0.000) 3.425 3.028 ( -0.243 0.000 0.000) 0.243 3.078 ( -1.423 0.000 0.000) 1.423 3.112 ( 1.338 -0.000 0.000) 1.338 3.160 ( 0.360 -0.000 0.000) 0.360 3.393 ( 2.421 -0.000 0.000) 2.421 4.133 ( -5.954 0.000 0.000) 5.954 4.134 ( -4.050 0.000 0.000) 4.050 4.153 ( -6.875 0.000 0.000) 6.875 4.153 ( -3.832 0.000 0.000) 3.832 4.462 ( -1.581 0.000 0.000) 1.581 4.541 ( 0.248 -0.000 0.000) 0.248 4.557 ( -0.183 0.000 0.000) 0.183 4.643 ( -0.757 0.000 0.000) 0.757 4.767 ( 0.106 -0.000 0.000) 0.106 4.804 ( 6.227 -0.000 0.000) 6.227 5.099 ( 0.503 -0.000 0.000) 0.503 5.105 ( 0.060 -0.000 0.000) 0.060 5.121 ( -0.949 0.000 0.000) 0.949 5.151 ( 1.040 -0.000 0.000) 1.040 5.252 ( 1.797 -0.000 0.000) 1.797 5.363 ( -1.527 0.000 0.000) 1.527 5.367 ( -1.527 0.000 0.000) 1.527 5.428 ( 1.179 -0.000 0.000) 1.179 5.451 ( -2.613 0.000 0.000) 2.613 5.455 ( 1.081 -0.000 0.000) 1.081 5.464 ( -0.168 0.000 0.000) 0.168 5.512 ( 2.732 -0.000 0.000) 2.732 5.586 ( 3.094 -0.000 0.000) 3.094 5.698 ( 0.219 -0.000 0.000) 0.219 5.727 ( 2.328 -0.000 0.000) 2.328 5.936 ( 2.809 -0.000 0.000) 2.809 5.940 ( 1.702 -0.000 0.000) 1.702 6.101 ( 1.100 -0.000 0.000) 1.100 6.895 ( 0.329 -0.000 0.000) 0.329 6.902 ( 0.268 -0.000 0.000) 0.268 ======================= Grid point 88 (49/98) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 -0.750 0.000) 0.750 0.762 ( -0.000 0.692 0.000) 0.692 1.006 ( -0.000 2.896 0.000) 2.896 1.203 ( -0.000 1.514 0.000) 1.514 1.232 ( -0.000 3.199 0.000) 3.199 1.270 ( -0.000 11.640 0.000) 11.640 1.452 ( -0.000 1.864 0.000) 1.864 1.477 ( 0.000 -9.536 0.000) 9.536 1.495 ( 0.000 -4.272 0.000) 4.272 1.566 ( 0.000 -0.261 0.000) 0.261 1.620 ( -0.000 2.141 0.000) 2.141 1.686 ( -0.000 0.311 0.000) 0.311 1.707 ( -0.000 0.621 0.000) 0.621 1.950 ( 0.000 -0.876 0.000) 0.876 1.959 ( -0.000 12.650 0.000) 12.650 1.981 ( 0.000 -1.016 0.000) 1.016 1.999 ( 0.000 -0.848 0.000) 0.848 2.226 ( 0.000 -4.734 0.000) 4.734 2.305 ( 0.000 -0.389 0.000) 0.389 2.351 ( 0.000 -0.032 0.000) 0.032 2.441 ( 0.000 -0.171 0.000) 0.171 2.445 ( -0.000 0.867 0.000) 0.867 2.445 ( -0.000 0.018 0.000) 0.018 2.460 ( -0.000 7.727 0.000) 7.727 2.535 ( 0.000 -2.427 0.000) 2.427 2.636 ( 0.000 -0.669 0.000) 0.669 2.733 ( -0.000 6.492 0.000) 6.492 2.774 ( -0.000 0.815 0.000) 0.815 2.819 ( 0.000 -2.084 0.000) 2.084 2.847 ( 0.000 -2.930 0.000) 2.930 2.940 ( 0.000 -2.514 0.000) 2.514 3.043 ( 0.000 -5.116 0.000) 5.116 3.070 ( -0.000 0.139 0.000) 0.139 3.112 ( -0.000 4.046 0.000) 4.046 3.183 ( 0.000 -5.340 0.000) 5.340 3.416 ( -0.000 0.220 0.000) 0.220 4.070 ( -0.000 0.338 0.000) 0.338 4.079 ( -0.000 0.404 0.000) 0.404 4.091 ( -0.000 0.423 0.000) 0.423 4.112 ( -0.000 0.416 0.000) 0.416 4.447 ( 0.000 -0.119 0.000) 0.119 4.543 ( -0.000 0.514 0.000) 0.514 4.559 ( 0.000 -0.900 0.000) 0.900 4.637 ( 0.000 -0.021 0.000) 0.021 4.767 ( -0.000 0.713 0.000) 0.713 4.874 ( 0.000 -0.362 0.000) 0.362 5.106 ( 0.000 -0.819 0.000) 0.819 5.108 ( 0.000 -0.405 0.000) 0.405 5.114 ( 0.000 -0.502 0.000) 0.502 5.168 ( 0.000 -0.254 0.000) 0.254 5.269 ( 0.000 -0.032 0.000) 0.032 5.332 ( 0.000 -0.119 0.000) 0.119 5.345 ( 0.000 -0.088 0.000) 0.088 5.428 ( -0.000 0.542 0.000) 0.542 5.444 ( 0.000 -0.258 0.000) 0.258 5.455 ( -0.000 0.150 0.000) 0.150 5.461 ( -0.000 0.174 0.000) 0.174 5.538 ( -0.000 0.704 0.000) 0.704 5.618 ( -0.000 0.290 0.000) 0.290 5.698 ( -0.000 0.974 0.000) 0.974 5.754 ( 0.000 -0.079 0.000) 0.079 5.958 ( -0.000 0.454 0.000) 0.454 5.966 ( -0.000 0.600 0.000) 0.600 6.114 ( 0.000 -0.717 0.000) 0.717 6.898 ( 0.000 -0.006 0.000) 0.006 6.904 ( -0.000 0.012 0.000) 0.012 ======================= Grid point 175 (50/98) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 0.000 0.000 18.372) 18.372 0.412 ( 0.000 0.000 20.261) 20.261 0.698 ( 0.000 0.000 24.569) 24.569 0.711 ( 0.000 0.000 -14.866) 14.866 0.773 ( 0.000 0.000 -9.028) 9.028 0.850 ( 0.000 0.000 6.403) 6.403 0.860 ( 0.000 0.000 -3.900) 3.900 1.310 ( 0.000 0.000 8.975) 8.975 1.370 ( 0.000 0.000 -24.819) 24.819 1.476 ( 0.000 0.000 -7.489) 7.489 1.490 ( 0.000 0.000 11.229) 11.229 1.660 ( 0.000 0.000 -4.331) 4.331 1.698 ( 0.000 0.000 3.457) 3.457 1.749 ( 0.000 0.000 -1.772) 1.772 1.933 ( 0.000 0.000 3.455) 3.455 1.996 ( 0.000 0.000 2.072) 2.072 2.042 ( 0.000 0.000 -2.175) 2.175 2.074 ( 0.000 0.000 -8.251) 8.251 2.291 ( 0.000 0.000 7.183) 7.183 2.324 ( 0.000 0.000 1.332) 1.332 2.337 ( 0.000 0.000 -1.751) 1.751 2.378 ( 0.000 0.000 0.526) 0.526 2.390 ( 0.000 0.000 -0.636) 0.636 2.454 ( 0.000 0.000 1.244) 1.244 2.477 ( 0.000 0.000 -0.936) 0.936 2.481 ( 0.000 0.000 -6.856) 6.856 2.678 ( 0.000 0.000 2.266) 2.266 2.709 ( 0.000 0.000 2.863) 2.863 2.885 ( 0.000 0.000 -0.948) 0.948 2.890 ( 0.000 0.000 -2.663) 2.663 3.065 ( 0.000 0.000 5.457) 5.457 3.151 ( 0.000 0.000 -2.116) 2.116 3.306 ( 0.000 0.000 0.317) 0.317 3.315 ( 0.000 0.000 -0.605) 0.605 3.444 ( 0.000 0.000 2.372) 2.372 3.479 ( 0.000 0.000 -0.910) 0.910 4.002 ( 0.000 0.000 0.077) 0.077 4.004 ( 0.000 0.000 -0.155) 0.155 4.024 ( 0.000 0.000 0.587) 0.587 4.036 ( 0.000 0.000 -0.507) 0.507 4.562 ( 0.000 0.000 2.735) 2.735 4.592 ( 0.000 0.000 -0.145) 0.145 4.653 ( 0.000 0.000 2.052) 2.052 4.672 ( 0.000 0.000 0.739) 0.739 4.749 ( 0.000 0.000 -1.797) 1.797 4.796 ( 0.000 0.000 -5.964) 5.964 5.036 ( 0.000 0.000 3.482) 3.482 5.091 ( 0.000 0.000 -1.947) 1.947 5.271 ( 0.000 0.000 -0.411) 0.411 5.277 ( 0.000 0.000 -0.820) 0.820 5.346 ( 0.000 0.000 2.627) 2.627 5.359 ( 0.000 0.000 0.193) 0.193 5.363 ( 0.000 0.000 -0.200) 0.200 5.390 ( 0.000 0.000 -1.431) 1.431 5.422 ( 0.000 0.000 0.036) 0.036 5.423 ( 0.000 0.000 -0.029) 0.029 5.430 ( 0.000 0.000 0.579) 0.579 5.451 ( 0.000 0.000 -1.256) 1.256 5.542 ( 0.000 0.000 1.882) 1.882 5.577 ( 0.000 0.000 -1.489) 1.489 5.657 ( 0.000 0.000 4.910) 4.910 5.758 ( 0.000 0.000 -4.470) 4.470 6.298 ( 0.000 0.000 1.464) 1.464 6.325 ( 0.000 0.000 -1.020) 1.020 6.900 ( 0.000 0.000 0.048) 0.048 6.901 ( 0.000 0.000 -0.048) 0.048 ======================= Grid point 176 (51/98) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 14.281 1.812 13.855) 19.979 0.580 ( 6.707 -1.729 9.897) 12.080 0.734 ( 0.233 1.053 -0.503) 1.191 0.750 ( 3.142 -2.056 7.320) 8.227 0.882 ( 9.427 1.645 -12.637) 15.851 0.963 ( 21.633 -7.354 18.013) 29.095 1.002 ( 12.234 -5.182 -7.613) 15.313 1.321 ( 5.840 -2.055 -1.096) 6.287 1.483 ( 6.879 5.756 2.348) 9.272 1.554 ( 7.553 -2.917 -7.600) 11.105 1.573 ( 7.354 -6.062 -2.712) 9.909 1.680 ( 2.299 -0.693 -3.489) 4.235 1.786 ( 8.406 0.344 3.653) 9.172 1.847 ( 9.134 1.149 -2.760) 9.611 1.924 ( 0.180 1.606 2.778) 3.214 2.025 ( 1.588 -0.158 -1.107) 1.942 2.054 ( 0.971 1.528 -3.814) 4.222 2.077 ( 1.665 -2.125 -4.149) 4.950 2.256 ( -2.342 -0.094 5.279) 5.775 2.310 ( -1.629 -0.005 -1.796) 2.424 2.346 ( 2.349 -0.793 2.760) 3.710 2.391 ( 1.617 0.011 0.607) 1.727 2.411 ( 1.725 0.426 0.215) 1.790 2.503 ( 3.051 -0.131 -6.333) 7.031 2.515 ( 4.694 0.169 0.983) 4.798 2.543 ( 4.308 -0.227 1.282) 4.501 2.632 ( -0.534 0.139 2.792) 2.846 2.712 ( 0.373 -0.509 0.550) 0.837 2.869 ( -1.974 -0.794 -1.742) 2.750 2.885 ( 0.078 -0.208 -1.546) 1.562 3.061 ( -0.443 -0.566 5.911) 5.954 3.152 ( 0.398 -0.324 -2.318) 2.374 3.301 ( 0.501 0.957 1.566) 1.903 3.325 ( 1.067 1.178 -0.954) 1.854 3.417 ( -2.444 0.793 2.131) 3.338 3.448 ( -2.797 0.650 -0.877) 3.003 4.060 ( 3.652 -0.359 0.396) 3.691 4.069 ( 3.740 -0.352 -0.378) 3.775 4.097 ( 7.260 -0.308 2.308) 7.624 4.204 ( 11.585 0.923 -10.344) 15.559 4.568 ( 1.040 1.390 2.497) 3.041 4.600 ( 0.766 0.216 -0.485) 0.932 4.634 ( -1.295 0.334 2.318) 2.677 4.671 ( -0.288 -0.570 -0.157) 0.658 4.720 ( -1.662 2.643 -0.403) 3.148 4.765 ( -3.068 -0.967 -3.644) 4.861 5.035 ( -0.113 -1.837 3.010) 3.528 5.084 ( -0.492 -0.872 -1.749) 2.016 5.238 ( -3.697 0.094 4.004) 5.451 5.264 ( -0.694 0.733 -0.467) 1.112 5.301 ( -0.980 1.377 2.179) 2.757 5.345 ( -0.524 -0.915 2.303) 2.533 5.365 ( -1.737 0.765 -2.516) 3.152 5.396 ( -0.659 -0.542 -2.093) 2.260 5.426 ( 1.955 -0.017 0.609) 2.048 5.432 ( 0.797 -0.542 0.426) 1.053 5.440 ( -0.056 0.136 -0.099) 0.177 5.455 ( 0.590 -2.286 -1.242) 2.667 5.545 ( 0.901 1.382 2.235) 2.778 5.576 ( -0.385 0.251 -0.314) 0.557 5.724 ( 4.271 -0.042 -1.920) 4.683 5.756 ( 0.307 -1.168 -3.103) 3.330 6.177 ( -7.418 2.552 7.665) 10.968 6.248 ( -3.910 1.335 -0.987) 4.248 6.910 ( 0.498 0.099 0.425) 0.663 6.927 ( 0.727 0.531 -1.338) 1.613 ======================= Grid point 177 (52/98) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 2.028 0.738 6.007) 6.383 0.733 ( 1.635 0.237 -4.387) 4.688 0.887 ( 18.418 2.771 8.210) 20.354 0.940 ( 11.744 -4.333 13.835) 18.657 1.096 ( 13.545 1.504 -9.675) 16.713 1.208 ( 7.973 -3.293 -9.140) 12.568 1.516 ( 24.967 -6.384 7.140) 26.741 1.581 ( 12.596 -0.448 5.366) 13.699 1.591 ( 12.547 2.182 3.766) 13.281 1.690 ( 5.964 1.022 -2.653) 6.607 1.727 ( 4.498 -2.371 -0.108) 5.086 1.832 ( 10.439 -2.824 -8.653) 13.850 1.894 ( 2.076 0.419 -1.554) 2.627 1.933 ( 4.130 2.732 -0.273) 4.959 2.021 ( 4.729 1.740 -0.170) 5.041 2.090 ( 7.013 -2.702 -5.312) 9.203 2.125 ( 5.916 -0.489 0.623) 5.969 2.152 ( 6.012 -1.482 -1.707) 6.423 2.239 ( 1.350 -1.022 4.679) 4.976 2.299 ( 0.669 -1.303 -1.914) 2.410 2.406 ( 2.230 0.362 2.571) 3.423 2.452 ( 3.037 -0.323 0.291) 3.068 2.468 ( 7.250 -1.238 1.271) 7.464 2.558 ( 1.746 0.230 4.947) 5.251 2.573 ( 4.736 1.547 -6.122) 7.893 2.644 ( 4.992 0.324 -0.824) 5.070 2.678 ( 3.194 -0.927 -1.839) 3.800 2.732 ( 1.222 -0.923 -3.145) 3.498 2.843 ( -0.609 -1.001 2.161) 2.458 2.905 ( 1.714 -2.242 -2.773) 3.956 3.063 ( 0.483 -0.561 7.360) 7.398 3.169 ( 1.226 0.203 -2.538) 2.826 3.298 ( -0.760 1.777 1.512) 2.454 3.318 ( -2.111 1.623 -0.445) 2.699 3.352 ( -3.313 1.955 1.222) 4.036 3.374 ( -4.177 0.385 -0.785) 4.268 4.151 ( 5.187 -0.880 0.328) 5.271 4.158 ( 5.187 -0.885 -0.345) 5.273 4.239 ( 6.609 -0.384 3.362) 7.425 4.345 ( 4.538 0.753 -7.231) 8.571 4.587 ( 0.812 1.409 1.832) 2.450 4.598 ( 0.514 0.637 1.688) 1.876 4.640 ( 1.795 -0.629 -0.260) 1.920 4.663 ( -1.269 -0.235 -2.381) 2.708 4.682 ( -0.726 0.802 1.205) 1.619 4.712 ( -2.152 -0.694 -1.001) 2.473 5.054 ( 1.146 -0.537 1.693) 2.113 5.090 ( 0.731 -0.235 -1.497) 1.682 5.183 ( -2.010 -0.569 4.452) 4.918 5.241 ( -1.090 1.157 -1.289) 2.046 5.289 ( 0.111 2.086 0.629) 2.182 5.315 ( -2.192 0.393 -2.131) 3.083 5.340 ( -0.517 -1.110 1.446) 1.895 5.374 ( -1.569 0.373 -1.601) 2.273 5.423 ( -1.004 -0.173 0.296) 1.061 5.427 ( -0.627 -0.343 0.000) 0.715 5.479 ( 2.062 0.103 -0.286) 2.085 5.494 ( 1.217 -1.226 -1.743) 2.454 5.557 ( 1.157 1.476 2.289) 2.959 5.578 ( 0.933 -0.448 0.611) 1.201 5.778 ( 2.845 0.190 -0.398) 2.879 5.808 ( 3.197 -0.887 -3.423) 4.767 6.077 ( -2.488 1.809 6.530) 7.218 6.168 ( -3.209 1.603 -2.696) 4.487 6.903 ( -1.352 0.265 0.330) 1.417 6.911 ( -1.848 0.560 -0.456) 1.984 ======================= Grid point 178 (53/98) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 3.799 0.416 5.678) 6.844 0.786 ( 3.612 -0.392 -4.503) 5.786 1.192 ( 12.068 -3.255 9.073) 15.445 1.221 ( 17.968 4.211 5.259) 19.190 1.345 ( 11.721 1.154 -5.851) 13.151 1.388 ( 10.552 -2.284 -5.581) 12.153 1.707 ( 5.650 3.639 5.384) 8.611 1.735 ( 5.081 3.367 0.960) 6.170 1.776 ( 3.294 2.364 -1.522) 4.331 1.834 ( 4.120 3.380 -5.071) 7.356 1.848 ( 6.348 1.576 2.832) 7.127 1.924 ( 0.932 4.843 -2.811) 5.676 2.011 ( 6.190 -1.652 1.582) 6.599 2.068 ( 7.941 -3.251 -2.554) 8.952 2.132 ( 2.125 -0.977 0.176) 2.346 2.158 ( 1.820 -1.537 -1.259) 2.695 2.227 ( 6.541 0.554 4.026) 7.700 2.255 ( 5.639 -1.653 3.566) 6.874 2.354 ( 3.171 -1.896 1.256) 3.903 2.376 ( 6.056 -3.439 0.371) 6.974 2.456 ( 2.235 1.228 -3.717) 4.508 2.522 ( 6.657 -3.362 -7.512) 10.586 2.610 ( 6.196 1.196 3.129) 7.043 2.652 ( 2.552 -1.058 -0.625) 2.833 2.698 ( 9.542 -0.503 -0.433) 9.566 2.709 ( 5.115 0.951 -1.892) 5.536 2.768 ( 7.431 -0.791 -1.703) 7.664 2.773 ( 5.084 -0.859 -3.101) 6.017 2.891 ( 4.753 -3.332 3.899) 6.992 2.967 ( 2.699 -3.156 -3.128) 5.199 3.083 ( 1.190 -0.019 7.846) 7.936 3.185 ( -0.206 0.704 -2.272) 2.388 3.230 ( -5.353 0.178 0.936) 5.438 3.239 ( -4.249 0.466 0.409) 4.294 3.271 ( -3.337 0.853 1.638) 3.814 3.299 ( -3.985 1.038 -1.117) 4.267 4.259 ( 5.256 -1.510 0.481) 5.490 4.269 ( 5.555 -1.408 -0.469) 5.750 4.341 ( 3.854 -0.318 2.168) 4.433 4.398 ( 1.758 0.206 -3.260) 3.709 4.574 ( -0.683 0.206 2.134) 2.250 4.624 ( -1.000 0.248 -2.511) 2.714 4.643 ( 2.154 0.525 1.877) 2.905 4.676 ( 1.426 0.954 -0.871) 1.924 4.696 ( 2.359 -0.810 0.372) 2.521 4.710 ( 0.988 -1.132 -0.558) 1.603 5.073 ( 0.584 0.525 1.214) 1.446 5.106 ( 0.544 0.519 -1.792) 1.943 5.163 ( -0.383 -0.239 2.829) 2.865 5.213 ( -1.153 0.584 -1.465) 1.953 5.269 ( -0.871 0.559 0.836) 1.330 5.295 ( 0.042 0.880 -0.925) 1.277 5.341 ( 0.053 0.603 0.002) 0.605 5.348 ( -0.018 1.486 -0.374) 1.532 5.407 ( -0.645 0.514 0.483) 0.955 5.419 ( -0.214 0.607 -0.544) 0.843 5.512 ( 2.510 0.241 -0.130) 2.525 5.521 ( 2.191 0.031 -0.890) 2.365 5.576 ( 1.379 1.171 1.789) 2.544 5.600 ( 0.680 -0.163 -0.317) 0.768 5.840 ( 3.377 0.351 0.532) 3.436 5.871 ( 3.045 -0.435 -2.604) 4.030 6.043 ( -0.479 1.580 4.392) 4.692 6.113 ( -1.725 1.608 -2.476) 3.419 6.852 ( -4.088 0.415 0.021) 4.109 6.852 ( -3.895 0.305 -0.020) 3.907 ======================= Grid point 179 (54/98) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 3.688 0.111 5.602) 6.708 0.860 ( 3.546 -0.455 -4.610) 5.834 1.418 ( 10.075 -1.279 5.939) 11.765 1.489 ( 9.040 2.663 -0.320) 9.430 1.530 ( 11.617 2.706 2.357) 12.159 1.615 ( 11.269 1.251 -3.611) 11.900 1.725 ( 1.315 4.315 0.583) 4.549 1.766 ( -0.829 4.072 -1.559) 4.439 1.848 ( 6.362 5.032 0.784) 8.149 1.876 ( 3.395 3.690 -1.170) 5.149 1.932 ( 1.604 1.620 0.146) 2.285 1.960 ( 4.715 1.098 -2.673) 5.530 2.014 ( -2.203 3.107 6.047) 7.146 2.107 ( -2.093 0.979 -0.554) 2.377 2.143 ( -1.568 0.537 0.093) 1.660 2.160 ( 1.417 -3.125 -4.251) 5.463 2.266 ( -0.966 2.884 3.048) 4.306 2.331 ( -0.082 0.320 4.257) 4.269 2.409 ( -1.318 0.805 -3.649) 3.963 2.444 ( 3.056 -1.699 0.314) 3.511 2.584 ( 5.570 -3.908 -3.540) 7.670 2.593 ( -0.287 -1.162 -6.948) 7.050 2.643 ( -0.153 -1.570 1.769) 2.370 2.675 ( -0.067 -2.111 -1.716) 2.721 2.845 ( 4.983 0.952 0.809) 5.137 2.875 ( 6.471 0.604 -1.429) 6.655 2.944 ( 4.892 0.216 1.221) 5.046 2.954 ( 4.203 0.577 0.420) 4.263 3.025 ( 8.330 -1.144 -0.502) 8.423 3.030 ( 4.299 -1.311 -0.865) 4.577 3.096 ( 2.283 -0.700 5.523) 6.017 3.159 ( 1.999 -2.873 -1.230) 3.710 3.180 ( 0.202 -3.294 0.514) 3.340 3.199 ( 1.131 -3.442 -0.654) 3.682 3.242 ( 1.475 -1.072 1.548) 2.392 3.261 ( 2.632 0.538 0.822) 2.809 4.357 ( 3.768 -1.183 0.680) 4.007 4.372 ( 3.991 -0.929 -0.645) 4.148 4.397 ( 2.134 -1.022 1.134) 2.624 4.424 ( 1.293 -0.636 -1.395) 2.005 4.567 ( 0.230 0.286 1.615) 1.656 4.605 ( -0.308 0.518 -1.907) 2.000 4.686 ( 1.799 -0.237 0.732) 1.957 4.697 ( 0.852 -0.134 -0.218) 0.890 4.743 ( 1.906 -0.307 0.090) 1.933 4.748 ( 2.244 -0.106 -0.382) 2.278 5.069 ( -0.523 1.017 0.799) 1.395 5.088 ( -1.666 1.259 -0.749) 2.219 5.175 ( 1.484 0.210 0.771) 1.685 5.202 ( 0.279 0.211 -1.510) 1.550 5.271 ( 1.089 -0.158 1.124) 1.573 5.293 ( 0.210 0.318 -0.720) 0.814 5.331 ( -0.114 2.623 0.957) 2.794 5.345 ( 0.156 2.017 -0.569) 2.101 5.386 ( -0.986 1.546 1.059) 2.117 5.406 ( -0.636 1.522 -0.806) 1.836 5.574 ( 1.393 0.508 0.274) 1.508 5.587 ( 1.294 -0.028 -0.983) 1.625 5.622 ( 6.988 0.519 0.646) 7.037 5.632 ( 6.819 0.404 -0.193) 6.834 5.890 ( 2.051 1.020 0.893) 2.459 5.922 ( 1.904 -0.039 -2.217) 2.923 6.034 ( 0.177 1.051 2.885) 3.075 6.080 ( -0.939 1.476 -1.646) 2.402 6.747 ( -6.774 0.341 0.193) 6.785 6.751 ( -6.692 0.225 -0.200) 6.699 ======================= Grid point 180 (55/98) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 2.478 -0.004 5.528) 6.058 0.919 ( 2.369 -0.342 -4.665) 5.244 1.544 ( 1.009 3.972 1.846) 4.495 1.578 ( 4.901 1.865 0.526) 5.271 1.675 ( 3.322 2.801 3.474) 5.563 1.755 ( 4.371 3.272 -2.040) 5.829 1.763 ( 4.536 1.554 1.354) 4.982 1.783 ( 5.114 2.606 -0.126) 5.741 1.863 ( -1.201 4.509 0.596) 4.704 1.894 ( -0.136 4.600 -1.191) 4.754 1.955 ( -0.413 1.202 5.529) 5.674 1.969 ( 1.234 -0.568 0.787) 1.570 2.021 ( 1.623 -0.232 -2.144) 2.699 2.080 ( 1.224 1.952 -2.016) 3.061 2.145 ( 2.455 1.435 1.179) 3.079 2.194 ( 1.237 -1.041 -3.342) 3.713 2.231 ( -0.988 1.448 1.842) 2.543 2.317 ( 0.255 1.243 -2.991) 3.249 2.367 ( -2.049 0.182 0.014) 2.057 2.461 ( -2.237 -3.008 -2.659) 4.596 2.553 ( -4.704 -2.036 -1.283) 5.284 2.562 ( -3.062 -0.817 -3.463) 4.694 2.703 ( 1.314 -1.005 0.858) 1.864 2.723 ( 2.687 -0.232 -1.402) 3.039 2.838 ( -4.007 1.487 0.726) 4.336 2.852 ( -5.114 1.786 -0.564) 5.446 2.886 ( -3.109 -0.470 0.888) 3.267 2.901 ( -2.929 -0.618 -0.445) 3.026 3.114 ( 2.711 -0.930 2.052) 3.525 3.131 ( 1.681 -1.072 -0.404) 2.034 3.176 ( 0.644 -1.369 3.626) 3.929 3.217 ( -0.072 -1.360 0.017) 1.362 3.331 ( 11.312 -2.829 0.158) 11.662 3.343 ( 11.110 -1.916 -0.397) 11.281 3.405 ( 10.435 -2.077 0.385) 10.647 3.410 ( 9.680 -1.484 0.087) 9.793 4.392 ( 0.221 0.124 0.644) 0.692 4.406 ( 0.181 0.452 -0.651) 0.812 4.456 ( 2.566 -2.209 0.895) 3.502 4.473 ( 2.438 -1.733 -0.664) 3.064 4.583 ( 1.530 0.018 0.903) 1.776 4.609 ( 0.979 0.144 -1.551) 1.840 4.702 ( -0.400 -0.083 0.077) 0.416 4.705 ( -0.093 -0.137 -0.208) 0.266 4.777 ( 1.483 -0.016 0.333) 1.520 4.783 ( 1.495 -0.008 -0.270) 1.520 5.048 ( -0.851 1.273 0.296) 1.559 5.053 ( -0.997 1.110 -0.017) 1.492 5.204 ( 1.362 0.337 -0.403) 1.460 5.216 ( 1.158 0.482 -1.627) 2.055 5.294 ( 0.231 0.731 1.209) 1.432 5.300 ( 1.195 0.263 1.004) 1.583 5.313 ( -0.109 1.884 0.734) 2.025 5.329 ( -0.651 2.000 -0.710) 2.220 5.361 ( -0.556 0.964 0.946) 1.461 5.384 ( -0.668 1.160 -0.980) 1.659 5.578 ( -0.119 0.146 0.148) 0.239 5.585 ( -0.171 0.547 -0.503) 0.763 5.809 ( 10.926 0.276 0.865) 10.964 5.830 ( 12.094 0.424 -0.955) 12.139 5.909 ( 1.440 1.314 1.178) 2.278 5.944 ( 1.100 0.198 -2.215) 2.481 6.034 ( 0.113 0.392 1.821) 1.866 6.060 ( -0.552 0.953 -0.762) 1.339 6.589 ( -9.556 0.291 0.250) 9.564 6.595 ( -9.549 0.127 -0.268) 9.554 ======================= Grid point 181 (56/98) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.856 -0.014 5.474) 5.541 0.951 ( 0.817 -0.137 -4.703) 4.776 1.513 ( -0.817 2.547 3.634) 4.513 1.603 ( 0.347 1.816 -4.785) 5.130 1.732 ( 2.211 -0.247 5.646) 6.069 1.761 ( -1.535 1.931 2.984) 3.871 1.795 ( 1.586 1.556 0.430) 2.263 1.831 ( -0.589 -0.124 -0.291) 0.668 1.858 ( 0.707 1.978 2.698) 3.419 1.867 ( 1.643 1.432 -1.389) 2.585 1.966 ( 0.932 0.930 2.394) 2.732 1.973 ( -0.640 -1.471 0.837) 1.809 2.042 ( 0.619 0.063 -2.722) 2.792 2.096 ( 0.123 -0.026 -4.863) 4.865 2.192 ( 1.839 1.765 2.045) 3.268 2.215 ( 0.718 -0.168 0.841) 1.119 2.247 ( 3.642 1.888 -0.010) 4.102 2.324 ( -2.855 -0.599 2.496) 3.839 2.345 ( 3.603 2.213 -6.696) 7.919 2.416 ( -4.105 -2.953 -4.501) 6.770 2.478 ( -3.250 -1.826 0.355) 3.745 2.515 ( -1.680 -0.107 -4.600) 4.898 2.709 ( -0.354 0.091 2.319) 2.348 2.733 ( -0.391 -0.563 -0.169) 0.706 2.759 ( -2.673 1.354 0.450) 3.030 2.777 ( -1.775 -0.005 -1.452) 2.293 2.857 ( -0.558 -0.322 1.495) 1.628 2.880 ( -0.171 -0.616 -0.731) 0.971 3.159 ( 1.069 -0.494 0.451) 1.261 3.166 ( 2.015 -0.186 1.367) 2.442 3.184 ( -0.140 -0.764 2.054) 2.196 3.205 ( -1.405 -0.507 1.237) 1.939 3.497 ( 4.356 -0.489 0.084) 4.384 3.498 ( 4.122 -0.205 0.055) 4.128 3.557 ( 4.186 -0.700 0.469) 4.270 3.568 ( 4.512 -1.056 -0.550) 4.666 4.387 ( -0.306 0.082 0.670) 0.741 4.400 ( -0.303 0.202 -0.485) 0.607 4.500 ( 1.025 -0.979 0.808) 1.632 4.513 ( 0.915 -0.680 -0.326) 1.185 4.617 ( 1.514 -0.250 0.156) 1.542 4.634 ( 1.196 -0.262 -1.458) 1.903 4.685 ( -1.016 0.201 0.210) 1.056 4.691 ( -0.944 0.258 -0.364) 1.044 4.798 ( 0.666 -0.076 0.461) 0.814 4.807 ( 0.786 -0.240 -0.386) 0.908 5.029 ( -0.472 0.717 0.371) 0.935 5.037 ( -0.201 0.484 -0.352) 0.631 5.213 ( 0.071 0.545 0.437) 0.703 5.231 ( 0.475 0.458 -1.485) 1.625 5.290 ( 0.081 0.019 0.921) 0.925 5.304 ( -0.286 1.027 0.901) 1.396 5.311 ( 0.023 1.009 -0.311) 1.056 5.314 ( 0.083 0.033 -0.012) 0.090 5.358 ( 0.219 0.009 0.765) 0.796 5.376 ( 0.072 0.123 -0.739) 0.753 5.574 ( -0.142 -0.001 0.172) 0.223 5.582 ( 0.003 0.244 -0.489) 0.547 5.887 ( 0.165 0.565 1.310) 1.436 5.921 ( 0.281 0.459 -2.003) 2.074 6.013 ( 1.024 0.314 1.457) 1.808 6.038 ( 1.244 0.360 -1.055) 1.670 6.092 ( 10.178 -0.103 0.383) 10.185 6.096 ( 9.814 -0.189 -0.106) 9.817 6.389 ( -10.390 0.218 0.335) 10.397 6.396 ( -10.226 0.039 -0.359) 10.233 ======================= Grid point 189 (57/98) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 1.945 -0.000 5.849) 6.164 0.734 ( 1.291 -0.000 -4.383) 4.569 0.906 ( 18.718 -0.000 7.629) 20.213 0.917 ( 12.274 -0.000 14.448) 18.957 1.106 ( 13.668 -0.000 -9.196) 16.473 1.188 ( 8.147 -0.000 -9.129) 12.236 1.474 ( 28.111 -0.000 9.603) 29.706 1.571 ( 17.064 -0.000 2.773) 17.288 1.622 ( 8.533 -0.000 6.298) 10.606 1.700 ( 6.019 -0.000 -3.893) 7.168 1.703 ( 6.080 -0.000 -2.562) 6.597 1.805 ( 12.257 -0.000 -8.855) 15.122 1.907 ( -0.508 0.000 -0.239) 0.561 1.948 ( 5.760 -0.000 1.486) 5.949 2.043 ( 1.527 -0.000 -3.708) 4.010 2.062 ( 6.132 -0.000 -2.796) 6.740 2.126 ( 6.344 -0.000 -0.651) 6.377 2.140 ( 8.317 -0.000 -1.740) 8.497 2.233 ( 1.155 -0.000 5.222) 5.348 2.292 ( 0.254 -0.000 -1.670) 1.689 2.409 ( 2.834 -0.000 3.329) 4.372 2.446 ( 3.683 -0.000 1.243) 3.887 2.466 ( 5.907 -0.000 -0.150) 5.909 2.552 ( 2.225 -0.000 -0.781) 2.359 2.598 ( 4.013 -0.000 -1.427) 4.259 2.629 ( 5.491 -0.000 1.611) 5.722 2.684 ( 3.662 -0.000 -2.776) 4.595 2.725 ( 0.958 -0.000 -4.676) 4.773 2.836 ( -0.821 0.000 2.241) 2.387 2.893 ( 1.191 -0.000 -2.365) 2.648 3.060 ( 0.652 -0.000 7.752) 7.780 3.170 ( 1.463 -0.000 -2.641) 3.019 3.308 ( -0.955 0.000 1.495) 1.774 3.327 ( -2.905 0.000 -0.183) 2.911 3.366 ( -2.220 0.000 0.380) 2.252 3.373 ( -5.075 0.000 -0.189) 5.079 4.146 ( 5.119 -0.000 0.324) 5.129 4.153 ( 5.123 -0.000 -0.346) 5.134 4.237 ( 6.665 -0.000 3.481) 7.519 4.349 ( 4.228 -0.000 -7.816) 8.887 4.598 ( -1.527 0.000 1.944) 2.472 4.600 ( 1.882 -0.000 1.944) 2.705 4.635 ( 2.262 -0.000 -0.119) 2.265 4.661 ( -0.870 0.000 -2.289) 2.449 4.689 ( -1.345 0.000 0.142) 1.353 4.707 ( -2.203 0.000 -0.444) 2.247 5.051 ( 1.644 -0.000 1.861) 2.483 5.089 ( 1.021 -0.000 -1.513) 1.825 5.180 ( -2.013 0.000 4.628) 5.047 5.248 ( -1.399 0.000 -1.892) 2.353 5.303 ( 0.371 -0.000 -0.081) 0.380 5.316 ( -2.639 0.000 -1.128) 2.870 5.331 ( -0.373 0.000 1.883) 1.919 5.375 ( -1.255 0.000 -1.964) 2.331 5.422 ( -1.016 0.000 0.312) 1.063 5.425 ( -0.284 0.000 0.041) 0.287 5.483 ( 1.767 -0.000 -1.016) 2.038 5.484 ( 2.279 -0.000 -1.113) 2.537 5.569 ( 1.358 -0.000 1.793) 2.249 5.572 ( 0.402 -0.000 1.625) 1.674 5.780 ( 2.683 -0.000 -0.647) 2.760 5.803 ( 3.593 -0.000 -3.584) 5.075 6.088 ( -2.815 0.000 6.508) 7.091 6.177 ( -3.402 0.000 -2.613) 4.290 6.904 ( -1.359 0.000 0.392) 1.415 6.914 ( -1.955 0.000 -0.557) 2.033 ======================= Grid point 190 (58/98) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 3.601 0.165 5.347) 6.449 0.783 ( 3.544 -0.147 -4.255) 5.540 1.166 ( 12.950 -1.258 9.913) 16.358 1.259 ( 18.218 2.086 3.583) 18.684 1.345 ( 8.677 -0.577 -4.438) 9.763 1.382 ( 14.387 0.334 -5.796) 15.514 1.743 ( 6.677 2.485 4.661) 8.514 1.756 ( 5.258 0.997 0.634) 5.389 1.777 ( 2.243 -1.211 0.103) 2.551 1.854 ( 8.311 0.552 0.242) 8.333 1.884 ( 1.281 3.372 -1.576) 3.936 1.968 ( 6.943 1.127 -0.010) 7.034 1.995 ( 6.576 0.511 -3.123) 7.297 2.051 ( 7.785 -0.224 -4.345) 8.918 2.112 ( 2.766 -1.648 0.357) 3.239 2.127 ( 4.251 -3.361 -1.540) 5.634 2.233 ( 6.807 1.005 3.779) 7.850 2.245 ( 6.595 -0.886 2.898) 7.258 2.336 ( 2.548 -1.220 3.505) 4.501 2.354 ( 3.156 -0.517 2.940) 4.344 2.475 ( 3.721 1.806 -5.461) 6.851 2.494 ( 4.670 -1.965 -6.434) 8.190 2.614 ( 5.054 0.024 2.972) 5.863 2.633 ( 6.000 -1.439 -0.421) 6.185 2.707 ( 5.701 1.256 -0.170) 5.840 2.720 ( 2.152 0.334 -1.923) 2.905 2.764 ( 11.546 -0.023 -3.261) 11.998 2.770 ( 6.242 0.000 -3.820) 7.318 2.863 ( 3.826 -1.548 4.260) 5.932 2.940 ( 3.030 -1.512 -3.326) 4.746 3.083 ( 1.501 0.021 8.628) 8.758 3.190 ( -0.685 0.240 -2.277) 2.389 3.231 ( -5.881 0.009 0.843) 5.942 3.242 ( -5.102 0.131 0.142) 5.106 3.277 ( -4.075 0.304 1.857) 4.489 3.307 ( -4.665 0.360 -1.051) 4.795 4.247 ( 5.207 -0.556 0.506) 5.261 4.258 ( 5.574 -0.522 -0.513) 5.622 4.339 ( 3.908 -0.103 2.277) 4.524 4.399 ( 1.592 0.065 -3.509) 3.854 4.575 ( -0.721 0.048 2.193) 2.309 4.625 ( -0.736 0.039 -2.389) 2.500 4.647 ( 1.594 0.242 1.960) 2.538 4.685 ( 0.295 0.554 -0.525) 0.818 4.691 ( 3.122 -0.161 -0.372) 3.149 4.700 ( 1.516 -0.751 -0.511) 1.768 5.077 ( 0.804 0.197 1.285) 1.529 5.110 ( 0.778 0.191 -1.718) 1.895 5.162 ( 0.014 -0.063 3.111) 3.112 5.218 ( -1.422 0.215 -1.695) 2.223 5.273 ( -1.524 0.141 0.740) 1.700 5.302 ( -0.567 0.364 -1.534) 1.675 5.344 ( 1.468 0.133 0.806) 1.680 5.361 ( 0.136 0.699 -0.787) 1.061 5.410 ( -0.324 0.108 0.645) 0.730 5.423 ( 0.064 0.199 -0.525) 0.565 5.514 ( 2.472 0.118 -0.285) 2.492 5.521 ( 2.290 -0.010 -0.891) 2.457 5.588 ( 1.249 0.914 1.413) 2.096 5.596 ( 0.937 -0.523 0.661) 1.261 5.842 ( 3.536 0.144 0.131) 3.541 5.867 ( 3.184 -0.207 -2.608) 4.122 6.055 ( -0.745 0.608 4.429) 4.532 6.125 ( -1.904 0.593 -2.446) 3.156 6.854 ( -3.896 0.110 0.038) 3.897 6.855 ( -4.221 0.164 -0.040) 4.225 ======================= Grid point 191 (59/98) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 3.591 0.074 5.349) 6.443 0.856 ( 3.615 -0.257 -4.407) 5.706 1.405 ( 11.101 -0.957 6.848) 13.079 1.498 ( 7.530 -0.184 -1.786) 7.741 1.567 ( 14.047 3.286 2.529) 14.646 1.631 ( 11.513 1.229 -3.254) 12.027 1.763 ( 0.599 2.705 0.658) 2.847 1.791 ( -1.000 0.592 -0.669) 1.341 1.887 ( 6.152 2.265 0.030) 6.555 1.907 ( 2.768 1.703 -1.152) 3.448 1.958 ( 2.482 2.123 -0.076) 3.266 1.986 ( 2.995 4.035 -2.415) 5.575 2.048 ( -0.758 3.082 2.518) 4.051 2.106 ( -1.795 -1.318 0.142) 2.232 2.132 ( 1.769 -1.778 -2.567) 3.589 2.143 ( -1.258 -0.712 -0.244) 1.466 2.296 ( -1.809 2.524 5.073) 5.948 2.337 ( -0.601 0.615 6.288) 6.347 2.403 ( 3.379 -1.099 1.680) 3.930 2.444 ( -1.134 0.928 -6.085) 6.259 2.535 ( 8.973 -4.327 -2.329) 10.231 2.580 ( 0.859 -1.301 -8.652) 8.791 2.623 ( -2.244 -1.814 1.394) 3.205 2.654 ( -1.076 -1.663 -2.263) 3.007 2.859 ( 6.149 1.318 0.972) 6.363 2.878 ( 6.970 -0.197 -0.081) 6.973 2.958 ( 8.720 1.958 -0.029) 8.937 2.968 ( 7.783 1.900 -0.265) 8.016 3.016 ( 7.558 -1.002 -0.845) 7.670 3.018 ( 5.710 -0.600 -0.685) 5.782 3.090 ( 0.479 -0.430 4.021) 4.072 3.128 ( -0.674 -2.673 -1.066) 2.956 3.148 ( -3.582 -2.465 1.048) 4.473 3.164 ( 0.475 -2.657 -0.480) 2.742 3.235 ( 0.983 -0.411 2.490) 2.709 3.267 ( 2.428 0.392 0.794) 2.585 4.345 ( 4.390 -0.920 0.828) 4.561 4.362 ( 4.628 -0.729 -0.747) 4.744 4.390 ( 1.580 -0.350 1.185) 2.005 4.419 ( 0.619 -0.228 -1.579) 1.711 4.570 ( 0.351 0.288 1.711) 1.770 4.610 ( -0.230 0.426 -2.003) 2.061 4.684 ( 1.675 -0.167 0.836) 1.879 4.696 ( 0.674 -0.134 -0.209) 0.718 4.741 ( 2.197 -0.137 0.106) 2.204 4.748 ( 2.482 0.009 -0.553) 2.543 5.078 ( -0.419 0.607 0.885) 1.152 5.100 ( -1.463 0.915 -1.034) 2.011 5.176 ( 1.349 0.033 1.322) 1.889 5.203 ( 0.215 0.051 -1.148) 1.170 5.270 ( 1.105 -0.052 0.858) 1.400 5.293 ( 0.080 -0.098 -1.368) 1.374 5.353 ( -0.621 1.320 0.934) 1.732 5.364 ( 0.390 1.265 -0.260) 1.350 5.399 ( -0.738 0.869 1.001) 1.517 5.418 ( -0.518 0.793 -0.782) 1.228 5.579 ( 1.512 0.330 -0.007) 1.548 5.587 ( 1.900 -0.033 -0.791) 2.058 5.627 ( 6.369 0.386 0.740) 6.423 5.635 ( 6.602 0.204 0.055) 6.605 5.899 ( 2.319 0.608 0.318) 2.418 5.921 ( 2.063 -0.132 -1.975) 2.859 6.044 ( -0.192 0.678 3.117) 3.196 6.093 ( -1.169 0.857 -1.745) 2.269 6.750 ( -6.827 0.203 0.144) 6.832 6.753 ( -6.750 0.128 -0.151) 6.753 ======================= Grid point 192 (60/98) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 2.457 0.009 5.374) 5.909 0.916 ( 2.463 -0.230 -4.527) 5.159 1.578 ( 4.241 1.933 2.720) 5.397 1.594 ( 4.563 1.394 2.195) 5.252 1.711 ( 1.633 3.645 1.001) 4.118 1.765 ( 2.314 0.540 -0.919) 2.547 1.797 ( 4.773 2.678 -1.109) 5.584 1.799 ( 4.359 0.481 -0.815) 4.460 1.913 ( -2.849 4.556 2.292) 5.842 1.924 ( -0.188 0.127 2.081) 2.093 1.967 ( -1.104 1.710 -2.179) 2.982 1.971 ( -1.804 0.995 1.309) 2.440 2.028 ( 2.004 1.665 -0.633) 2.681 2.093 ( 0.143 0.013 -1.697) 1.703 2.157 ( 3.709 0.947 1.678) 4.179 2.193 ( 3.358 0.642 -1.933) 3.927 2.248 ( -1.406 1.581 2.993) 3.665 2.323 ( -0.012 -0.176 2.569) 2.575 2.376 ( -2.137 1.355 -4.793) 5.421 2.430 ( -2.558 -2.601 -2.550) 4.451 2.516 ( -5.560 -3.555 0.127) 6.600 2.562 ( -2.617 -0.127 -6.420) 6.934 2.688 ( 2.486 -1.595 1.142) 3.167 2.716 ( 4.087 -1.115 -1.582) 4.522 2.860 ( -4.606 2.199 0.450) 5.124 2.870 ( -4.165 0.499 0.028) 4.195 2.890 ( -5.473 1.790 0.118) 5.759 2.897 ( -3.830 0.163 -0.364) 3.851 3.103 ( 2.495 -1.076 1.365) 3.040 3.116 ( 1.605 -1.621 -0.365) 2.310 3.160 ( 0.825 -1.513 4.206) 4.545 3.205 ( 1.146 -0.765 0.007) 1.378 3.304 ( 13.226 -2.123 0.170) 13.396 3.322 ( 12.836 -1.837 -1.022) 13.007 3.388 ( 10.435 -1.172 1.082) 10.556 3.398 ( 9.604 -0.801 0.266) 9.641 4.393 ( 0.154 0.103 0.751) 0.774 4.410 ( 0.022 0.368 -0.845) 0.922 4.434 ( 2.904 -1.778 1.059) 3.566 4.455 ( 2.787 -1.564 -0.833) 3.303 4.586 ( 1.545 0.480 0.997) 1.901 4.614 ( 0.942 0.601 -1.589) 1.942 4.702 ( -0.151 0.025 0.076) 0.171 4.704 ( 0.215 -0.032 -0.120) 0.248 4.776 ( 1.367 -0.124 0.283) 1.401 4.782 ( 1.250 -0.061 -0.346) 1.298 5.060 ( -0.921 0.892 0.313) 1.320 5.065 ( -1.279 1.020 -0.045) 1.636 5.205 ( 1.378 -0.123 0.026) 1.384 5.220 ( 1.308 0.216 -1.622) 2.095 5.299 ( 1.073 0.269 0.803) 1.367 5.302 ( 0.784 0.137 0.746) 1.091 5.328 ( -0.820 0.920 1.017) 1.598 5.347 ( -1.180 1.316 -0.752) 1.921 5.373 ( -1.261 1.041 1.018) 1.926 5.395 ( -1.159 0.977 -0.981) 1.806 5.580 ( -0.327 0.096 0.348) 0.487 5.591 ( -0.163 0.454 -0.688) 0.841 5.812 ( 11.005 0.203 0.978) 11.050 5.833 ( 12.341 0.254 -0.883) 12.375 5.923 ( 1.231 1.148 0.443) 1.740 5.945 ( 0.913 -0.071 -1.767) 1.990 6.038 ( -0.184 0.350 2.124) 2.160 6.069 ( -0.923 0.737 -0.974) 1.531 6.592 ( -9.578 0.230 0.169) 9.582 6.596 ( -9.617 0.073 -0.188) 9.619 ======================= Grid point 193 (61/98) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.867 -0.003 5.416) 5.484 0.950 ( 0.950 -0.113 -4.641) 4.738 1.550 ( -2.132 4.043 3.005) 5.470 1.629 ( -0.759 3.106 -4.207) 5.284 1.727 ( 1.412 -0.519 5.587) 5.786 1.786 ( -2.535 2.638 2.839) 4.631 1.806 ( 1.014 0.348 -0.654) 1.256 1.830 ( -1.717 0.054 -0.662) 1.841 1.868 ( -0.575 -0.155 0.212) 0.633 1.876 ( -1.695 0.748 3.244) 3.736 1.945 ( -0.270 -2.659 1.693) 3.163 1.974 ( 0.117 -0.432 0.633) 0.775 2.048 ( 0.390 0.881 -2.530) 2.708 2.096 ( 0.531 0.356 -4.862) 4.904 2.204 ( -1.009 0.506 1.966) 2.266 2.220 ( 1.875 1.042 0.735) 2.267 2.266 ( 2.619 1.212 0.829) 3.002 2.313 ( -2.764 -0.932 2.431) 3.797 2.367 ( 1.893 0.968 -8.203) 8.475 2.387 ( -2.030 -1.535 -2.979) 3.918 2.458 ( -0.972 -1.449 1.184) 2.109 2.517 ( -1.449 0.276 -5.479) 5.674 2.706 ( -0.632 -0.506 2.024) 2.180 2.731 ( -0.877 0.144 -0.782) 1.184 2.777 ( -2.472 1.799 0.207) 3.064 2.782 ( -1.716 1.162 -0.662) 2.176 2.851 ( -0.486 -0.797 1.263) 1.570 2.870 ( 0.168 -1.237 -0.593) 1.382 3.152 ( 1.598 -0.777 0.442) 1.831 3.163 ( 2.358 -0.498 0.026) 2.410 3.178 ( 0.773 -0.334 3.322) 3.427 3.200 ( -1.143 -0.378 1.419) 1.861 3.496 ( 5.368 0.223 0.200) 5.376 3.500 ( 4.752 0.460 -0.068) 4.775 3.548 ( 4.641 -1.026 0.278) 4.762 3.554 ( 5.238 -1.497 -0.343) 5.459 4.386 ( -0.543 -0.280 0.704) 0.932 4.400 ( -0.649 -0.146 -0.579) 0.882 4.490 ( 1.950 -0.935 0.916) 2.349 4.505 ( 1.586 -0.755 -0.445) 1.812 4.619 ( 1.914 0.600 0.221) 2.018 4.637 ( 1.558 0.632 -1.411) 2.195 4.688 ( -1.021 0.318 0.225) 1.093 4.695 ( -0.906 0.408 -0.406) 1.074 4.795 ( 0.506 -0.453 0.346) 0.762 4.802 ( 0.635 -0.631 -0.317) 0.949 5.036 ( -1.043 0.619 0.294) 1.247 5.043 ( -0.681 0.467 -0.248) 0.862 5.218 ( -0.149 0.271 0.466) 0.559 5.237 ( 0.330 0.561 -1.567) 1.697 5.288 ( -0.598 -0.215 1.149) 1.313 5.312 ( -0.921 0.060 -0.145) 0.934 5.315 ( -0.833 0.801 0.407) 1.225 5.323 ( -0.055 0.828 0.257) 0.868 5.357 ( -0.027 -0.220 0.779) 0.810 5.376 ( -0.335 0.039 -0.860) 0.924 5.574 ( -0.204 -0.074 0.355) 0.416 5.585 ( -0.180 0.316 -0.659) 0.753 5.893 ( -0.296 0.485 1.233) 1.358 5.926 ( -0.250 0.401 -1.998) 2.053 6.017 ( 0.670 0.332 1.526) 1.699 6.042 ( 0.918 0.388 -1.063) 1.458 6.091 ( 10.106 -0.073 0.333) 10.111 6.094 ( 10.087 -0.196 -0.055) 10.089 6.391 ( -10.489 0.202 0.242) 10.494 6.397 ( -10.252 0.015 -0.270) 10.256 ======================= Grid point 194 (62/98) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.839 0.022 5.531) 5.595 0.953 ( -0.664 0.130 -4.763) 4.811 1.499 ( -1.357 0.013 3.811) 4.045 1.591 ( -1.974 -0.281 -4.966) 5.351 1.729 ( -2.647 -0.998 5.328) 6.032 1.747 ( 0.158 -0.534 2.536) 2.597 1.776 ( -2.878 -1.772 0.122) 3.382 1.821 ( -1.642 -3.928 -1.487) 4.510 1.836 ( -2.557 -0.396 1.260) 2.878 1.846 ( -2.343 -2.004 1.935) 3.640 1.954 ( -0.339 -0.884 2.742) 2.900 1.978 ( -0.128 -0.902 3.731) 3.841 2.044 ( -0.169 0.343 -2.702) 2.729 2.101 ( -0.318 1.350 -6.055) 6.212 2.173 ( -2.873 -1.602 1.655) 3.683 2.217 ( -1.039 -0.121 1.160) 1.561 2.234 ( -2.878 -0.201 -2.486) 3.809 2.306 ( -1.416 -2.825 -5.942) 6.730 2.343 ( 0.835 0.902 1.404) 1.867 2.435 ( 3.107 0.153 -5.685) 6.480 2.494 ( 3.738 1.627 0.805) 4.155 2.525 ( 2.754 1.543 -2.522) 4.040 2.706 ( 0.125 -0.324 2.527) 2.551 2.740 ( -0.468 0.227 -0.753) 0.915 2.752 ( 2.908 0.430 1.043) 3.120 2.780 ( 2.155 0.638 -1.726) 2.834 2.858 ( 0.788 -0.057 1.612) 1.795 2.883 ( 0.658 0.004 -0.811) 1.045 3.163 ( -0.519 0.162 0.561) 0.781 3.168 ( -1.752 0.070 2.191) 2.806 3.193 ( 0.857 0.792 1.151) 1.639 3.210 ( 1.709 0.435 1.179) 2.122 3.504 ( -3.675 0.877 0.172) 3.782 3.506 ( -3.536 1.185 -0.101) 3.731 3.562 ( -3.514 0.185 0.599) 3.569 3.576 ( -3.499 0.314 -0.650) 3.573 4.384 ( 0.117 -0.542 0.644) 0.850 4.395 ( -0.005 -0.609 -0.422) 0.741 4.510 ( -0.094 0.744 0.642) 0.987 4.518 ( -0.299 0.388 -0.181) 0.522 4.626 ( -1.058 1.463 0.117) 1.809 4.644 ( -0.758 1.526 -1.511) 2.278 4.684 ( 1.041 -0.112 0.211) 1.068 4.689 ( 0.949 -0.124 -0.348) 1.018 4.796 ( -0.710 -0.438 0.556) 1.003 4.806 ( -0.696 -0.390 -0.419) 0.902 5.021 ( -0.262 -0.660 0.444) 0.838 5.033 ( -0.293 -0.426 -0.513) 0.729 5.207 ( -0.704 -0.667 0.773) 1.241 5.228 ( -0.899 -0.145 -1.475) 1.733 5.285 ( -0.459 -0.909 0.282) 1.057 5.295 ( -0.885 -0.733 0.534) 1.267 5.298 ( -0.571 -0.890 0.423) 1.139 5.316 ( -0.381 0.165 -0.332) 0.531 5.357 ( -0.361 -0.272 0.947) 1.050 5.374 ( -0.267 -0.231 -0.627) 0.720 5.573 ( 0.101 -0.166 0.180) 0.265 5.581 ( -0.199 0.023 -0.461) 0.502 5.881 ( -0.715 -0.504 1.364) 1.620 5.917 ( -0.801 -0.412 -2.044) 2.234 6.010 ( -1.371 -0.230 1.426) 1.991 6.035 ( -1.594 -0.231 -1.050) 1.923 6.093 ( -10.211 0.103 0.415) 10.220 6.098 ( -9.600 0.151 -0.136) 9.602 6.387 ( 10.305 -0.192 0.418) 10.315 6.396 ( 10.178 -0.046 -0.438) 10.188 ======================= Grid point 195 (63/98) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -2.500 0.024 5.712) 6.235 0.923 ( -2.252 0.387 -4.836) 5.349 1.498 ( -0.887 -4.286 2.197) 4.897 1.551 ( -4.098 -3.081 -2.064) 5.527 1.653 ( -5.379 -1.468 4.710) 7.299 1.701 ( -6.993 -5.793 -0.848) 9.120 1.749 ( -5.518 -3.230 1.325) 6.529 1.757 ( -2.563 -0.834 3.112) 4.117 1.819 ( -0.781 -3.613 -0.755) 3.773 1.847 ( -0.338 -3.784 -2.317) 4.449 1.937 ( -1.335 -2.063 6.454) 6.906 1.975 ( -0.983 0.396 2.126) 2.375 2.030 ( -1.227 1.308 -2.306) 2.921 2.059 ( -2.652 -1.779 -3.937) 5.069 2.129 ( -1.183 -1.136 1.579) 2.276 2.213 ( 0.209 1.527 -2.465) 2.907 2.218 ( 0.791 -0.430 -1.361) 1.632 2.298 ( -0.147 -2.208 -6.695) 7.051 2.371 ( 1.797 0.670 3.175) 3.709 2.487 ( 2.283 1.292 -5.242) 5.861 2.549 ( 2.100 -0.706 0.495) 2.270 2.587 ( 3.972 1.926 -1.072) 4.543 2.706 ( -0.760 -0.394 0.564) 1.025 2.724 ( -1.659 0.112 -1.248) 2.079 2.828 ( 3.677 -0.489 1.112) 3.873 2.844 ( 4.260 0.226 -0.667) 4.318 2.892 ( 3.202 0.521 0.914) 3.371 2.908 ( 2.764 0.748 -0.598) 2.926 3.124 ( -2.500 0.880 2.606) 3.717 3.139 ( -1.950 0.611 -0.062) 2.045 3.189 ( -0.971 1.139 2.863) 3.231 3.230 ( 0.749 0.931 -0.020) 1.195 3.361 ( -9.809 2.479 0.076) 10.118 3.364 ( -9.662 2.220 -0.006) 9.914 3.427 ( -9.276 1.752 0.238) 9.443 3.432 ( -9.841 2.388 -0.295) 10.131 4.389 ( -0.158 -0.424 0.540) 0.705 4.400 ( -0.223 -0.729 -0.441) 0.880 4.479 ( -2.197 1.999 0.592) 3.029 4.490 ( -2.113 1.353 -0.405) 2.542 4.589 ( -1.558 1.246 0.808) 2.153 4.614 ( -1.133 1.080 -1.483) 2.156 4.704 ( 0.587 0.173 0.076) 0.617 4.707 ( 0.391 0.264 -0.336) 0.579 4.776 ( -1.433 -0.136 0.457) 1.510 4.783 ( -1.595 -0.060 -0.212) 1.610 5.033 ( 0.749 -1.418 0.320) 1.636 5.041 ( 0.856 -1.036 -0.206) 1.359 5.197 ( -1.215 -0.995 -0.435) 1.630 5.209 ( -1.129 -0.824 -1.552) 2.088 5.280 ( -0.574 -1.777 1.054) 2.144 5.288 ( -0.787 -2.705 0.691) 2.901 5.297 ( -0.802 -0.514 0.886) 1.301 5.310 ( 0.133 -1.096 -0.430) 1.185 5.352 ( -0.123 -0.794 0.853) 1.172 5.372 ( -0.049 -1.012 -0.870) 1.335 5.576 ( -0.252 -0.215 0.021) 0.332 5.580 ( 0.360 -0.361 -0.348) 0.617 5.806 ( -10.831 -0.271 0.718) 10.858 5.824 ( -11.554 -0.575 -0.929) 11.605 5.896 ( -2.075 -1.181 1.764) 2.969 5.941 ( -1.260 -0.385 -2.630) 2.942 6.030 ( -0.398 -0.299 1.496) 1.577 6.049 ( 0.087 -0.903 -0.472) 1.022 6.586 ( 9.521 -0.287 0.326) 9.531 6.593 ( 9.483 -0.145 -0.344) 9.490 ======================= Grid point 196 (64/98) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -3.811 -0.106 5.944) 7.061 0.865 ( -3.471 0.545 -4.887) 6.019 1.413 ( -10.593 -3.660 3.095) 11.627 1.460 ( -9.457 -0.883 2.756) 9.890 1.507 ( -7.956 -1.862 1.628) 8.331 1.608 ( -9.095 -0.607 -3.346) 9.710 1.672 ( -2.241 -5.433 0.139) 5.878 1.713 ( -1.008 -4.748 -1.640) 5.124 1.787 ( -5.861 -5.698 2.553) 8.563 1.837 ( -2.630 -3.489 -1.454) 4.605 1.924 ( -3.029 -0.548 -0.146) 3.082 1.951 ( -3.209 -0.986 -0.792) 3.450 1.984 ( 0.904 -1.869 5.926) 6.279 2.088 ( 2.503 -2.602 -1.464) 3.896 2.138 ( 1.347 -0.126 0.698) 1.522 2.196 ( -0.808 3.364 -4.684) 5.823 2.238 ( 0.086 -2.315 1.747) 2.901 2.325 ( 1.105 -1.185 -1.765) 2.396 2.398 ( 0.970 -0.585 -0.819) 1.398 2.470 ( -3.510 2.677 1.504) 4.663 2.586 ( 0.357 -1.864 -4.955) 5.306 2.620 ( -1.451 1.343 -3.465) 3.989 2.655 ( -2.837 0.899 1.302) 3.249 2.694 ( -0.724 1.433 -2.041) 2.596 2.843 ( -3.037 0.587 1.315) 3.361 2.875 ( -4.135 0.894 -1.585) 4.518 2.950 ( -2.142 1.060 1.138) 2.647 2.955 ( -1.062 0.670 0.529) 1.363 3.041 ( -8.031 1.752 -0.425) 8.231 3.046 ( -4.705 1.874 -0.738) 5.118 3.105 ( -3.488 0.965 6.973) 7.856 3.186 ( -3.518 2.020 -0.137) 4.059 3.210 ( -3.390 1.919 -0.805) 3.978 3.232 ( -1.796 2.269 -1.467) 3.245 3.258 ( -2.339 1.051 1.210) 2.835 3.261 ( -3.920 1.970 0.743) 4.450 4.366 ( -2.702 0.530 0.547) 2.808 4.378 ( -2.837 0.258 -0.540) 2.900 4.414 ( -3.075 1.988 0.913) 3.774 4.434 ( -2.332 1.272 -1.033) 2.850 4.566 ( -0.311 0.218 1.453) 1.502 4.601 ( 0.131 -0.145 -1.775) 1.786 4.688 ( -2.134 0.041 0.587) 2.214 4.698 ( -1.288 -0.118 -0.179) 1.306 4.748 ( -1.329 0.658 0.104) 1.486 4.751 ( -1.701 0.522 -0.183) 1.788 5.057 ( 0.696 -1.170 0.690) 1.526 5.075 ( 1.816 -1.115 -0.722) 2.250 5.171 ( -1.361 -0.353 0.395) 1.461 5.198 ( -0.285 -0.470 -1.856) 1.936 5.271 ( -1.311 -0.548 1.144) 1.824 5.283 ( -0.353 -1.556 0.352) 1.634 5.299 ( -0.053 -3.130 1.337) 3.404 5.326 ( 0.437 -1.282 -1.323) 1.893 5.367 ( 0.886 -1.966 1.013) 2.382 5.386 ( 0.602 -2.110 -0.812) 2.339 5.569 ( -1.161 -0.525 0.601) 1.409 5.587 ( -0.599 0.029 -1.205) 1.346 5.616 ( -7.497 -0.436 0.485) 7.525 5.627 ( -7.310 -0.484 -0.421) 7.338 5.877 ( -1.742 -1.288 1.659) 2.729 5.921 ( -1.680 -0.158 -2.527) 3.039 6.023 ( -0.652 -0.995 2.471) 2.743 6.063 ( 0.608 -1.711 -1.432) 2.313 6.743 ( 6.705 -0.387 0.253) 6.721 6.748 ( 6.620 -0.266 -0.260) 6.631 ======================= Grid point 197 (65/98) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -4.108 -0.496 6.216) 7.467 0.791 ( -3.718 0.527 -4.908) 6.180 1.171 ( -16.275 -3.873 5.504) 17.612 1.243 ( -10.555 5.211 8.262) 14.382 1.326 ( -12.649 -1.877 -6.280) 14.247 1.428 ( -7.860 4.733 -5.265) 10.578 1.669 ( -2.820 -4.382 4.510) 6.892 1.681 ( -6.373 -5.476 3.258) 9.012 1.727 ( -3.374 -6.260 -2.473) 7.529 1.800 ( -3.432 -3.229 -4.776) 6.709 1.839 ( -5.390 -0.479 0.548) 5.439 1.886 ( -2.926 -2.230 -2.627) 4.521 2.015 ( -1.296 -1.157 5.176) 5.459 2.113 ( -8.332 4.371 0.035) 9.409 2.129 ( -0.167 -1.083 -1.483) 1.844 2.163 ( -0.807 -0.257 -0.450) 0.959 2.215 ( -3.367 -1.343 3.426) 4.988 2.284 ( -5.192 3.132 2.428) 6.532 2.367 ( -5.424 -0.691 -2.912) 6.195 2.400 ( -2.853 1.408 -3.367) 4.633 2.477 ( -5.003 5.172 0.892) 7.250 2.563 ( -6.674 3.176 -6.199) 9.646 2.588 ( -8.135 -1.649 2.006) 8.540 2.642 ( -2.188 -2.099 -2.768) 4.106 2.710 ( -6.277 1.798 -0.225) 6.533 2.729 ( -8.849 4.053 -0.176) 9.734 2.779 ( -5.782 1.450 -0.853) 6.022 2.791 ( -6.188 2.411 -1.635) 6.840 2.929 ( -4.835 3.702 3.839) 7.198 3.001 ( -1.887 2.977 -2.061) 4.083 3.085 ( -0.627 0.341 5.877) 5.921 3.175 ( -0.631 -1.108 -2.222) 2.562 3.223 ( 4.059 -1.301 1.379) 4.480 3.234 ( 2.899 -0.413 0.425) 2.959 3.259 ( 1.790 -1.370 1.339) 2.622 3.285 ( 2.999 -1.418 -1.197) 3.527 4.278 ( -5.242 1.971 0.438) 5.617 4.287 ( -5.443 1.837 -0.386) 5.758 4.346 ( -3.847 0.626 1.924) 4.346 4.395 ( -2.112 -0.258 -2.762) 3.487 4.570 ( 0.417 -0.470 1.947) 2.046 4.619 ( 1.011 -0.778 -2.584) 2.881 4.637 ( -2.639 -0.581 1.765) 3.227 4.666 ( -2.007 -0.944 -0.763) 2.345 4.707 ( -1.971 1.181 0.746) 2.416 4.724 ( -0.700 1.375 -0.552) 1.639 5.066 ( -0.193 -0.652 1.041) 1.243 5.099 ( -0.160 -0.700 -1.946) 2.074 5.167 ( 1.030 0.451 2.332) 2.589 5.206 ( 0.574 -0.830 -0.998) 1.419 5.259 ( -0.427 -1.364 1.327) 1.951 5.286 ( 0.282 -0.675 -0.811) 1.092 5.324 ( 1.293 -2.172 0.378) 2.556 5.339 ( 0.489 -0.458 -1.007) 1.209 5.398 ( 1.372 -1.062 0.419) 1.785 5.410 ( 0.846 -0.999 -0.601) 1.440 5.510 ( -2.550 -0.198 0.046) 2.558 5.520 ( -2.160 -0.112 -0.820) 2.313 5.564 ( -1.474 -1.178 1.950) 2.713 5.600 ( -0.385 -0.087 -1.445) 1.498 5.835 ( -3.081 -0.523 1.272) 3.374 5.876 ( -2.799 0.399 -2.627) 3.860 6.024 ( 0.060 -1.947 4.224) 4.651 6.092 ( 1.440 -2.180 -2.484) 3.605 6.847 ( 4.001 -0.549 0.098) 4.040 6.849 ( 3.792 -0.379 -0.096) 3.812 ======================= Grid point 198 (66/98) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -2.425 -1.238 6.478) 7.027 0.730 ( -2.257 -0.143 -4.683) 5.200 0.866 ( -16.190 -0.328 8.584) 18.328 1.007 ( -10.304 7.934 12.081) 17.750 1.084 ( -12.541 -0.407 -10.015) 16.054 1.254 ( -7.863 5.164 -8.592) 12.741 1.538 ( -11.636 -2.387 6.341) 13.465 1.579 ( -10.404 1.659 2.499) 10.827 1.618 ( -12.586 1.845 1.924) 12.865 1.692 ( -7.186 2.013 -0.930) 7.521 1.751 ( -5.874 2.650 2.724) 6.997 1.815 ( -5.740 -3.862 -2.338) 7.302 1.894 ( -1.534 -2.569 -2.289) 3.768 1.940 ( -8.179 4.662 -3.723) 10.124 2.017 ( -8.044 1.687 0.720) 8.250 2.100 ( -8.892 -0.443 -4.004) 9.762 2.146 ( -3.792 2.815 -1.147) 4.860 2.165 ( -5.418 0.990 -1.481) 5.703 2.253 ( -1.306 1.386 3.430) 3.924 2.321 ( -1.579 2.735 -2.697) 4.153 2.405 ( -2.298 0.283 1.797) 2.931 2.450 ( -3.892 -0.254 -1.175) 4.074 2.493 ( -5.988 1.893 3.290) 7.090 2.531 ( -4.291 -1.921 2.044) 5.126 2.591 ( -3.053 2.598 -2.119) 4.534 2.624 ( -4.168 -1.688 -2.456) 5.123 2.703 ( -2.999 2.474 -1.531) 4.178 2.742 ( -1.394 0.918 -2.610) 3.098 2.853 ( -0.916 0.889 3.611) 3.830 2.938 ( -2.334 3.497 -3.283) 5.335 3.072 ( -0.083 1.098 6.117) 6.216 3.166 ( -0.537 -0.439 -2.223) 2.329 3.271 ( 0.148 -3.252 1.510) 3.588 3.289 ( 0.279 -3.892 -0.319) 3.915 3.329 ( 3.810 -2.282 1.704) 4.757 3.363 ( 3.795 -1.636 -1.381) 4.357 4.164 ( -5.355 1.598 0.338) 5.599 4.172 ( -5.342 1.589 -0.336) 5.584 4.245 ( -6.483 0.637 3.012) 7.177 4.334 ( -5.267 -1.274 -5.746) 7.898 4.571 ( -1.734 -1.683 1.776) 2.999 4.588 ( -1.083 -1.068 1.192) 1.932 4.641 ( -1.013 -0.670 -0.475) 1.305 4.663 ( 1.641 -0.153 -2.702) 3.165 4.680 ( -0.085 0.433 2.259) 2.302 4.720 ( 1.537 0.740 -1.225) 2.100 5.061 ( -0.085 0.694 1.276) 1.455 5.093 ( -0.080 0.311 -1.493) 1.527 5.192 ( 1.972 1.050 3.974) 4.559 5.225 ( 0.629 -1.834 -0.111) 1.942 5.264 ( -0.130 -2.318 1.004) 2.530 5.311 ( 2.083 -0.152 -2.979) 3.638 5.350 ( 0.716 0.622 0.620) 1.133 5.367 ( 2.068 -0.741 -0.761) 2.325 5.426 ( 1.098 0.346 0.153) 1.161 5.431 ( 1.275 0.327 -0.156) 1.326 5.481 ( -1.393 0.433 0.494) 1.540 5.508 ( 0.195 1.178 -2.012) 2.340 5.540 ( -1.513 -1.550 2.474) 3.289 5.581 ( -1.329 0.113 -1.040) 1.691 5.777 ( -2.908 -0.101 0.532) 2.958 5.820 ( -2.480 1.223 -3.265) 4.279 6.052 ( 1.850 -2.661 6.437) 7.207 6.145 ( 2.750 -2.640 -2.856) 4.764 6.899 ( 1.348 -0.415 0.185) 1.422 6.904 ( 1.654 -0.794 -0.242) 1.851 ======================= Grid point 199 (67/98) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -8.887 1.426 11.471) 14.581 0.608 ( -4.516 3.443 8.939) 10.590 0.718 ( -0.249 -2.025 -0.256) 2.056 0.790 ( -6.632 6.091 10.181) 13.592 0.876 ( -8.650 1.587 -13.351) 15.987 1.047 ( -11.890 5.728 -10.319) 16.753 1.124 ( -17.249 16.977 15.541) 28.762 1.362 ( -6.371 5.448 1.401) 8.499 1.447 ( -6.012 -0.681 6.662) 8.999 1.560 ( -6.676 0.401 -5.545) 8.688 1.667 ( -5.389 8.117 -6.821) 11.893 1.693 ( -3.302 1.707 -4.643) 5.947 1.780 ( -8.067 -0.773 3.007) 8.644 1.827 ( -7.817 -1.797 -2.672) 8.454 1.900 ( -1.500 -2.157 2.356) 3.529 2.008 ( 0.669 -2.770 -5.900) 6.552 2.060 ( -3.393 1.866 -0.159) 3.876 2.094 ( -2.943 1.004 -3.254) 4.501 2.260 ( 1.869 0.737 4.827) 5.228 2.314 ( 1.155 0.853 -1.588) 2.141 2.359 ( -1.964 1.287 2.702) 3.580 2.391 ( -1.785 -0.021 0.354) 1.820 2.405 ( -2.056 -0.316 1.161) 2.382 2.491 ( -3.065 -1.832 -0.236) 3.579 2.528 ( -4.258 1.200 -3.047) 5.372 2.544 ( -2.919 0.808 -1.742) 3.494 2.638 ( -0.876 1.378 4.566) 4.849 2.720 ( -0.411 0.859 0.587) 1.118 2.866 ( 0.918 -1.414 -0.728) 1.836 2.900 ( 0.461 2.206 -3.578) 4.229 3.072 ( 0.673 1.397 5.361) 5.580 3.159 ( -0.041 1.015 -2.343) 2.553 3.281 ( -0.435 -2.903 1.431) 3.266 3.299 ( -0.883 -3.778 -0.541) 3.917 3.401 ( 2.325 -2.206 1.925) 3.738 3.434 ( 2.466 -1.993 -1.137) 3.368 4.068 ( -3.732 1.016 0.388) 3.887 4.076 ( -3.817 0.995 -0.374) 3.962 4.103 ( -7.097 0.818 2.067) 7.437 4.188 ( -11.313 -1.860 -7.317) 13.601 4.547 ( -1.257 -2.213 2.523) 3.583 4.587 ( -0.427 -2.034 -0.855) 2.247 4.634 ( 0.153 0.037 1.924) 1.930 4.677 ( 0.225 0.303 -1.418) 1.468 4.690 ( 0.571 -2.012 2.766) 3.468 4.771 ( 2.897 0.032 -5.222) 5.972 5.064 ( 1.431 2.934 1.642) 3.654 5.099 ( 1.132 1.588 -1.516) 2.470 5.233 ( 1.755 -0.995 2.508) 3.219 5.254 ( 2.192 -0.544 1.183) 2.550 5.281 ( 1.214 -2.051 2.676) 3.583 5.353 ( 1.377 -0.324 -1.729) 2.234 5.359 ( 0.691 0.509 0.750) 1.140 5.400 ( 0.957 0.100 -1.818) 2.057 5.427 ( -1.562 0.224 0.713) 1.732 5.435 ( -0.576 0.288 -0.068) 0.648 5.456 ( 0.495 2.345 1.009) 2.600 5.488 ( -0.752 3.513 -2.092) 4.157 5.523 ( -1.507 -2.211 2.490) 3.655 5.569 ( -0.198 -0.999 -1.352) 1.692 5.727 ( -2.558 0.524 -0.381) 2.638 5.776 ( -0.605 2.410 -3.614) 4.385 6.133 ( 4.824 -4.931 8.452) 10.910 6.222 ( 3.331 -3.322 -1.638) 4.981 6.908 ( -0.380 -0.228 0.282) 0.525 6.918 ( -0.688 -0.917 -0.697) 1.342 ======================= Grid point 200 (68/98) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -0.000 10.806 15.439) 18.845 0.445 ( -0.000 6.186 17.377) 18.445 0.737 ( -0.000 1.091 5.372) 5.481 0.741 ( -0.000 5.507 -13.925) 14.975 0.769 ( 0.000 -4.951 -7.199) 8.737 0.826 ( -0.000 9.727 19.144) 21.473 0.929 ( -0.000 8.102 -0.606) 8.124 1.320 ( -0.000 1.780 8.658) 8.839 1.357 ( 0.000 -0.261 -10.644) 10.647 1.480 ( -0.000 0.781 -7.241) 7.283 1.552 ( -0.000 9.382 -1.697) 9.534 1.667 ( -0.000 1.173 -4.176) 4.338 1.695 ( 0.000 -0.438 3.190) 3.220 1.741 ( 0.000 -1.418 -1.491) 2.058 1.918 ( 0.000 -2.530 3.384) 4.225 2.002 ( -0.000 1.124 1.797) 2.120 2.043 ( -0.000 0.233 -1.970) 1.983 2.062 ( 0.000 -2.205 -8.639) 8.916 2.288 ( 0.000 -0.469 5.419) 5.439 2.321 ( 0.000 -0.008 1.127) 1.127 2.347 ( -0.000 1.925 1.075) 2.205 2.374 ( 0.000 -0.700 0.539) 0.883 2.387 ( 0.000 -0.695 -0.620) 0.931 2.453 ( 0.000 -0.160 1.132) 1.144 2.474 ( 0.000 -0.489 -0.872) 0.999 2.499 ( -0.000 2.959 -7.281) 7.859 2.655 ( 0.000 -2.591 5.757) 6.313 2.714 ( -0.000 0.689 2.459) 2.554 2.879 ( 0.000 -1.099 -0.659) 1.281 2.910 ( -0.000 2.338 -4.908) 5.437 3.074 ( -0.000 1.418 4.446) 4.667 3.154 ( -0.000 0.777 -2.029) 2.172 3.292 ( 0.000 -2.193 0.910) 2.374 3.309 ( 0.000 -1.774 -1.067) 2.070 3.435 ( 0.000 -1.661 2.228) 2.779 3.470 ( 0.000 -1.614 -1.018) 1.908 4.006 ( -0.000 0.809 0.061) 0.811 4.008 ( -0.000 0.751 -0.140) 0.764 4.028 ( -0.000 0.740 0.584) 0.942 4.040 ( -0.000 0.721 -0.502) 0.878 4.548 ( 0.000 -2.226 2.832) 3.602 4.590 ( 0.000 -0.929 -1.092) 1.433 4.642 ( 0.000 -1.203 2.502) 2.776 4.677 ( -0.000 0.549 0.194) 0.582 4.715 ( 0.000 -4.236 1.312) 4.434 4.801 ( -0.000 0.221 -7.380) 7.383 5.066 ( -0.000 4.168 1.756) 4.523 5.104 ( -0.000 2.136 -1.728) 2.747 5.255 ( 0.000 -2.021 0.602) 2.109 5.276 ( 0.000 -0.736 -1.193) 1.402 5.352 ( -0.000 1.000 2.164) 2.384 5.357 ( 0.000 -0.325 0.196) 0.380 5.361 ( 0.000 -0.312 -0.203) 0.372 5.394 ( -0.000 0.600 -1.492) 1.608 5.425 ( -0.000 0.451 0.045) 0.454 5.426 ( -0.000 0.487 -0.038) 0.489 5.436 ( -0.000 0.519 1.370) 1.465 5.463 ( -0.000 1.977 -1.179) 2.302 5.515 ( 0.000 -3.017 4.024) 5.029 5.571 ( 0.000 -0.999 -1.929) 2.172 5.680 ( -0.000 3.223 2.707) 4.209 5.766 ( -0.000 1.561 -4.338) 4.610 6.257 ( 0.000 -9.895 4.791) 10.994 6.281 ( 0.000 -3.379 0.649) 3.441 6.900 ( 0.000 -0.010 0.056) 0.057 6.901 ( -0.000 0.022 -0.057) 0.061 ======================= Grid point 203 (69/98) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 3.554 -0.000 5.255) 6.344 0.854 ( 3.644 -0.000 -4.332) 5.661 1.400 ( 11.465 -0.000 7.027) 13.447 1.496 ( 7.878 -0.000 -1.701) 8.059 1.586 ( 14.095 -0.000 1.912) 14.225 1.637 ( 11.399 -0.000 -3.004) 11.788 1.781 ( -0.326 0.000 0.681) 0.755 1.789 ( -0.119 0.000 -0.063) 0.135 1.899 ( 6.092 -0.000 -0.423) 6.107 1.915 ( 1.390 -0.000 -0.670) 1.543 1.969 ( 3.972 -0.000 -0.699) 4.033 2.018 ( 1.349 -0.000 -3.898) 4.125 2.072 ( 1.883 -0.000 1.183) 2.223 2.088 ( -2.818 0.000 1.546) 3.214 2.126 ( 2.683 -0.000 -1.504) 3.076 2.133 ( -2.050 0.000 -0.183) 2.058 2.314 ( -2.071 0.000 5.993) 6.341 2.337 ( -1.309 0.000 7.058) 7.178 2.399 ( 4.142 -0.000 1.772) 4.505 2.450 ( -1.516 0.000 -6.370) 6.547 2.508 ( 10.401 -0.000 -2.396) 10.674 2.572 ( 1.431 -0.000 -8.872) 8.987 2.612 ( -2.887 0.000 1.219) 3.134 2.644 ( -1.497 0.000 -2.847) 3.217 2.871 ( 4.541 -0.000 1.061) 4.664 2.872 ( 8.952 -0.000 0.776) 8.986 2.970 ( 12.585 -0.000 -0.339) 12.589 2.987 ( 6.660 -0.000 -2.373) 7.070 3.004 ( 10.279 -0.000 0.274) 10.282 3.016 ( 6.271 -0.000 -0.838) 6.327 3.086 ( -1.766 0.000 3.326) 3.766 3.112 ( -4.298 0.000 -0.521) 4.329 3.133 ( -3.087 0.000 1.308) 3.353 3.149 ( -0.550 0.000 -0.566) 0.789 3.232 ( 0.886 -0.000 2.882) 3.015 3.269 ( 2.384 -0.000 0.804) 2.516 4.340 ( 4.540 -0.000 0.885) 4.626 4.358 ( 4.805 -0.000 -0.794) 4.870 4.388 ( 1.444 -0.000 1.192) 1.873 4.418 ( 0.425 -0.000 -1.629) 1.683 4.572 ( 0.421 -0.000 1.745) 1.795 4.613 ( -0.171 0.000 -2.043) 2.050 4.683 ( 1.650 -0.000 0.871) 1.866 4.695 ( 0.640 -0.000 -0.199) 0.670 4.740 ( 2.278 -0.000 0.116) 2.281 4.748 ( 2.537 -0.000 -0.617) 2.611 5.081 ( -0.377 0.000 0.921) 0.995 5.105 ( -1.358 0.000 -1.234) 1.835 5.176 ( 1.222 -0.000 1.644) 2.048 5.203 ( 0.200 -0.000 -1.016) 1.036 5.270 ( 1.128 -0.000 0.735) 1.346 5.292 ( 0.049 -0.000 -1.564) 1.564 5.360 ( -0.878 0.000 0.951) 1.294 5.371 ( 0.414 -0.000 -0.222) 0.469 5.404 ( -0.574 0.000 0.965) 1.123 5.423 ( -0.437 0.000 -0.766) 0.882 5.581 ( 1.460 -0.000 -0.129) 1.466 5.586 ( 2.221 -0.000 -0.702) 2.330 5.629 ( 6.042 -0.000 0.761) 6.089 5.637 ( 6.604 -0.000 0.169) 6.606 5.902 ( 2.434 -0.000 0.104) 2.437 5.920 ( 2.110 -0.000 -1.881) 2.827 6.048 ( -0.329 0.000 3.188) 3.205 6.098 ( -1.251 0.000 -1.772) 2.169 6.751 ( -6.847 0.000 0.125) 6.848 6.754 ( -6.773 0.000 -0.131) 6.774 ======================= Grid point 204 (70/98) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 2.444 0.005 5.286) 5.824 0.914 ( 2.515 -0.081 -4.451) 5.113 1.587 ( 7.651 0.254 4.596) 8.929 1.608 ( 3.115 0.817 1.357) 3.495 1.745 ( 2.005 2.413 -0.059) 3.138 1.768 ( -0.051 -0.261 -1.678) 1.699 1.797 ( 5.017 -0.294 -0.458) 5.047 1.817 ( 4.117 0.936 -0.964) 4.331 1.916 ( -1.189 -0.789 2.912) 3.243 1.951 ( -1.068 1.850 0.694) 2.246 1.975 ( -3.174 0.829 -0.558) 3.327 1.990 ( -4.971 0.872 -1.619) 5.301 2.050 ( 2.337 1.980 -0.019) 3.063 2.082 ( -0.639 -1.511 -1.055) 1.951 2.166 ( 5.121 0.542 2.070) 5.550 2.200 ( 4.094 0.306 -1.513) 4.375 2.263 ( -1.878 1.080 3.541) 4.151 2.317 ( -0.433 -0.573 4.594) 4.649 2.392 ( -2.220 1.475 -5.088) 5.744 2.408 ( -2.509 -1.581 -4.015) 4.991 2.487 ( -5.397 -1.611 0.605) 5.664 2.560 ( -2.580 -0.169 -7.369) 7.809 2.674 ( 3.435 -0.745 1.271) 3.738 2.705 ( 5.260 -0.662 -1.587) 5.534 2.869 ( -2.819 -0.145 0.568) 2.880 2.874 ( -4.259 0.446 -0.052) 4.282 2.905 ( -6.582 0.957 0.028) 6.651 2.912 ( -7.712 1.375 -0.661) 7.861 3.092 ( 2.291 -0.782 0.636) 2.503 3.101 ( 2.276 -0.919 -0.373) 2.483 3.148 ( 1.799 -0.661 4.979) 5.335 3.201 ( 1.499 -0.112 0.052) 1.504 3.288 ( 14.321 -0.757 -0.035) 14.341 3.307 ( 14.249 -0.862 -1.330) 14.337 3.380 ( 10.381 -0.341 1.464) 10.489 3.393 ( 9.399 -0.221 0.461) 9.413 4.395 ( -0.192 0.183 0.817) 0.859 4.414 ( 0.033 0.159 -0.794) 0.811 4.420 ( 2.890 -0.678 0.933) 3.111 4.441 ( 3.324 -0.768 -0.883) 3.524 4.591 ( 1.585 0.247 1.058) 1.921 4.620 ( 0.957 0.300 -1.619) 1.904 4.702 ( 0.006 0.038 0.070) 0.080 4.704 ( 0.435 -0.002 -0.061) 0.440 4.774 ( 1.249 -0.075 0.274) 1.281 4.782 ( 1.061 -0.040 -0.404) 1.136 5.066 ( -0.973 0.327 0.359) 1.087 5.073 ( -1.514 0.437 -0.170) 1.585 5.203 ( 1.407 -0.140 0.432) 1.479 5.221 ( 1.376 0.059 -1.645) 2.146 5.301 ( 1.644 0.132 0.764) 1.818 5.303 ( 0.607 -0.003 0.389) 0.721 5.334 ( -1.221 0.258 1.171) 1.711 5.356 ( -1.559 0.397 -0.877) 1.832 5.381 ( -1.641 0.446 1.048) 1.998 5.403 ( -1.399 0.394 -0.926) 1.723 5.580 ( -0.429 0.034 0.483) 0.647 5.594 ( -0.198 0.172 -0.804) 0.846 5.813 ( 11.047 0.074 1.040) 11.096 5.835 ( 12.423 0.085 -0.821) 12.450 5.933 ( 1.439 0.649 -0.153) 1.586 5.943 ( 0.565 -0.262 -1.377) 1.512 6.041 ( -0.376 0.142 2.308) 2.342 6.074 ( -1.126 0.278 -1.081) 1.585 6.594 ( -9.571 0.097 0.105) 9.572 6.596 ( -9.676 0.013 -0.125) 9.677 ======================= Grid point 205 (71/98) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.872 0.003 5.371) 5.442 0.949 ( 1.037 -0.063 -4.592) 4.708 1.592 ( -2.196 3.359 2.428) 4.690 1.665 ( -0.440 3.173 -3.299) 4.598 1.723 ( -0.458 -0.005 4.001) 4.027 1.793 ( -0.609 -2.354 -1.218) 2.720 1.817 ( -3.279 2.568 0.493) 4.194 1.833 ( -2.067 0.236 -0.165) 2.087 1.866 ( -2.558 0.184 4.257) 4.970 1.882 ( -3.344 0.216 2.028) 3.917 1.921 ( 0.812 -1.686 1.785) 2.586 1.959 ( -0.951 -2.104 2.781) 3.615 2.051 ( -1.040 -0.233 -2.111) 2.365 2.109 ( 2.473 1.603 -5.653) 6.375 2.209 ( -1.923 0.530 1.259) 2.358 2.230 ( 1.158 0.610 0.396) 1.368 2.265 ( -0.161 -1.350 -0.071) 1.361 2.307 ( -1.996 -0.158 0.950) 2.216 2.365 ( -1.454 -0.081 -6.215) 6.384 2.387 ( 1.772 0.303 -2.992) 3.491 2.450 ( 1.704 -0.227 1.909) 2.568 2.520 ( -0.961 0.184 -5.402) 5.490 2.700 ( -0.837 -0.469 1.934) 2.159 2.732 ( -0.997 -0.020 -1.598) 1.884 2.796 ( -2.221 1.800 0.289) 2.874 2.802 ( -2.149 2.123 -0.249) 3.031 2.840 ( -0.368 -1.159 0.941) 1.537 2.854 ( 0.333 -1.770 -0.410) 1.847 3.144 ( 2.076 -0.625 0.512) 2.228 3.157 ( 2.827 -0.440 -0.523) 2.909 3.176 ( 1.467 -0.053 3.713) 3.993 3.197 ( -1.062 -0.170 1.636) 1.958 3.501 ( 6.535 0.712 0.199) 6.577 3.507 ( 5.653 0.746 -0.214) 5.706 3.536 ( 4.662 -1.071 0.133) 4.786 3.538 ( 5.187 -1.366 -0.069) 5.364 4.383 ( -0.767 -0.258 0.733) 1.092 4.398 ( -0.947 -0.176 -0.659) 1.167 4.481 ( 2.620 -0.587 0.971) 2.855 4.498 ( 2.107 -0.502 -0.518) 2.227 4.627 ( 2.232 0.597 0.282) 2.327 4.644 ( 1.807 0.624 -1.377) 2.356 4.692 ( -0.971 0.329 0.245) 1.054 4.699 ( -0.746 0.409 -0.462) 0.968 4.790 ( 0.260 -0.473 0.254) 0.596 4.795 ( 0.299 -0.589 -0.255) 0.708 5.042 ( -1.407 0.366 0.243) 1.474 5.047 ( -1.060 0.305 -0.208) 1.123 5.219 ( -0.081 0.048 0.685) 0.691 5.242 ( 0.485 0.384 -1.723) 1.831 5.286 ( -1.266 -0.180 1.297) 1.822 5.313 ( -1.683 0.089 -0.628) 1.798 5.322 ( -0.903 0.440 0.610) 1.175 5.330 ( -0.131 0.450 0.179) 0.502 5.354 ( -0.406 -0.270 1.043) 1.152 5.377 ( -0.815 0.016 -0.942) 1.246 5.573 ( -0.264 -0.053 0.536) 0.600 5.588 ( -0.292 0.196 -0.809) 0.882 5.897 ( -0.586 0.278 1.169) 1.337 5.930 ( -0.653 0.235 -2.014) 2.130 6.020 ( 0.373 0.224 1.591) 1.649 6.046 ( 0.689 0.255 -1.066) 1.295 6.090 ( 9.968 -0.022 0.273) 9.972 6.092 ( 10.408 -0.146 0.006) 10.409 6.393 ( -10.604 0.137 0.154) 10.606 6.397 ( -10.227 -0.013 -0.185) 10.229 ======================= Grid point 206 (72/98) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.822 0.020 5.575) 5.636 0.954 ( -0.526 0.094 -4.807) 4.837 1.514 ( -3.537 2.520 3.371) 5.498 1.595 ( -4.012 0.843 -4.372) 5.994 1.709 ( -3.050 -2.663 3.050) 5.070 1.743 ( -3.158 -1.903 1.608) 4.022 1.754 ( -4.817 -1.888 -0.192) 5.178 1.777 ( -1.902 -2.172 -0.638) 2.956 1.828 ( -2.747 -1.199 4.050) 5.039 1.836 ( -1.838 0.043 2.050) 2.754 1.941 ( -1.202 -1.928 4.905) 5.406 1.964 ( 1.044 -0.903 3.785) 4.029 2.047 ( 0.390 0.254 -3.161) 3.196 2.124 ( -0.662 2.473 -7.721) 8.135 2.158 ( -3.715 -1.129 1.724) 4.248 2.214 ( -1.498 -0.266 0.424) 1.580 2.237 ( -1.660 -0.039 -3.408) 3.791 2.280 ( -0.825 -1.570 -6.291) 6.536 2.352 ( 0.823 0.845 0.840) 1.449 2.422 ( 1.461 -2.184 -4.693) 5.378 2.515 ( 4.158 1.898 1.063) 4.693 2.541 ( 3.002 1.230 -1.309) 3.498 2.702 ( 0.336 -0.445 2.498) 2.559 2.737 ( 0.306 -0.435 -0.983) 1.118 2.766 ( 1.386 1.641 0.792) 2.290 2.790 ( 2.076 0.993 -1.520) 2.758 2.857 ( 1.204 -0.088 1.479) 1.909 2.880 ( 1.302 -0.570 -0.775) 1.619 3.163 ( -0.052 -0.001 0.728) 0.730 3.168 ( -1.569 0.043 2.503) 2.954 3.200 ( 1.360 0.562 0.654) 1.610 3.214 ( 1.916 0.251 1.227) 2.288 3.516 ( -3.451 1.221 0.268) 3.670 3.521 ( -3.079 1.514 -0.287) 3.443 3.561 ( -2.799 -0.330 0.625) 2.887 3.575 ( -2.479 -0.446 -0.631) 2.597 4.377 ( -0.005 -0.623 0.625) 0.883 4.388 ( -0.234 -0.652 -0.397) 0.798 4.516 ( 0.594 0.384 0.474) 0.851 4.521 ( 0.109 0.116 -0.058) 0.170 4.646 ( -0.503 2.062 0.107) 2.125 4.665 ( -0.258 2.136 -1.563) 2.659 4.683 ( 1.159 -0.037 0.199) 1.176 4.688 ( 0.991 -0.061 -0.372) 1.060 4.789 ( -0.732 -0.847 0.608) 1.274 4.799 ( -0.559 -0.979 -0.354) 1.181 5.015 ( -1.021 -0.457 0.479) 1.217 5.029 ( -0.747 -0.312 -0.678) 1.056 5.200 ( -1.510 -0.555 1.325) 2.084 5.228 ( -1.447 0.204 -1.537) 2.121 5.273 ( -0.856 -1.114 0.133) 1.412 5.284 ( -1.371 -0.903 -0.760) 1.809 5.296 ( -1.151 -0.059 1.299) 1.737 5.317 ( -0.807 0.067 -0.520) 0.962 5.353 ( -0.433 -0.386 1.241) 1.370 5.371 ( -0.274 -0.230 -0.568) 0.671 5.572 ( 0.063 -0.139 0.342) 0.375 5.582 ( -0.313 0.107 -0.547) 0.639 5.877 ( -1.208 -0.337 1.382) 1.866 5.913 ( -1.203 -0.283 -2.104) 2.440 6.008 ( -1.661 -0.130 1.438) 2.201 6.033 ( -1.885 -0.104 -1.054) 2.163 6.094 ( -10.218 0.076 0.432) 10.228 6.100 ( -9.450 0.096 -0.149) 9.452 6.385 ( 10.243 -0.131 0.480) 10.255 6.396 ( 10.133 -0.035 -0.497) 10.145 ======================= Grid point 207 (73/98) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -2.518 0.035 5.885) 6.401 0.927 ( -2.140 0.341 -5.003) 5.452 1.457 ( -2.738 -3.147 2.618) 4.925 1.516 ( -5.274 -3.397 -2.405) 6.719 1.635 ( -5.572 -2.125 1.602) 6.175 1.640 ( -7.062 -5.019 -0.460) 8.676 1.721 ( -5.559 -1.540 4.399) 7.254 1.742 ( -1.127 -1.818 4.514) 4.995 1.789 ( -1.914 -1.909 0.128) 2.706 1.816 ( -1.178 -1.967 -2.105) 3.112 1.914 ( -2.439 -2.070 4.660) 5.652 1.977 ( 0.078 -0.072 2.428) 2.430 2.038 ( -2.420 -0.687 -2.940) 3.869 2.049 ( -3.202 0.574 -3.943) 5.112 2.125 ( 0.030 0.366 1.609) 1.651 2.204 ( -0.069 -0.970 0.879) 1.311 2.241 ( 1.795 2.327 -6.843) 7.447 2.274 ( -0.518 -1.915 -7.077) 7.349 2.379 ( 1.794 0.662 3.096) 3.639 2.479 ( 2.882 -2.586 -5.962) 7.109 2.554 ( 0.720 1.467 3.107) 3.511 2.598 ( 2.596 0.167 -0.699) 2.694 2.700 ( -0.765 -0.412 0.527) 1.016 2.727 ( -0.758 0.466 -1.463) 1.712 2.826 ( 3.501 0.034 1.577) 3.840 2.851 ( 3.865 0.728 -1.015) 4.062 2.897 ( 3.404 0.323 0.973) 3.555 2.916 ( 2.919 0.666 -0.841) 3.110 3.132 ( -2.082 0.668 3.331) 3.985 3.145 ( -1.940 0.473 0.421) 2.040 3.201 ( -1.170 0.915 1.789) 2.325 3.237 ( 0.630 0.355 -0.163) 0.741 3.382 ( -9.240 1.624 0.476) 9.394 3.390 ( -8.897 2.225 -0.373) 9.178 3.444 ( -8.287 1.440 0.501) 8.427 3.456 ( -8.803 1.974 -0.620) 9.043 4.383 ( -0.012 -0.615 0.450) 0.762 4.391 ( -0.192 -0.854 -0.264) 0.914 4.496 ( -1.952 1.168 0.245) 2.288 4.501 ( -1.904 0.678 -0.158) 2.027 4.610 ( -1.498 2.574 0.696) 3.059 4.632 ( -1.334 2.203 -1.281) 2.876 4.705 ( 0.472 0.133 0.042) 0.492 4.710 ( 0.518 0.302 -0.565) 0.824 4.774 ( -1.004 -0.229 0.657) 1.222 4.781 ( -1.249 -0.178 -0.141) 1.270 5.018 ( 0.669 -1.453 0.355) 1.639 5.031 ( 0.758 -0.958 -0.615) 1.367 5.182 ( -1.025 -1.630 0.241) 1.941 5.200 ( -1.462 -0.900 -1.413) 2.224 5.258 ( -1.493 -2.408 0.499) 2.877 5.263 ( -1.441 -1.460 -0.084) 2.053 5.288 ( -0.091 -1.004 1.080) 1.478 5.304 ( -0.524 -0.303 -0.187) 0.634 5.343 ( -0.661 -0.897 1.049) 1.531 5.363 ( -0.654 -0.518 -0.812) 1.164 5.574 ( -0.442 -0.162 0.046) 0.473 5.578 ( 0.419 -0.149 -0.294) 0.533 5.804 ( -10.768 -0.192 0.553) 10.784 5.818 ( -10.727 -0.618 -0.720) 10.769 5.885 ( -3.034 -0.820 2.033) 3.744 5.937 ( -1.417 -0.420 -2.957) 3.306 6.028 ( -0.586 -0.155 1.222) 1.364 6.041 ( -0.380 -0.677 -0.173) 0.795 6.583 ( 9.486 -0.227 0.388) 9.497 6.592 ( 9.427 -0.124 -0.404) 9.436 ======================= Grid point 208 (74/98) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -3.930 -0.078 6.286) 7.414 0.871 ( -3.421 0.506 -5.172) 6.221 1.361 ( -10.657 -4.990 3.637) 12.316 1.444 ( -5.918 -2.956 -3.729) 7.594 1.501 ( -6.760 0.593 5.819) 8.939 1.584 ( -4.976 -3.876 -2.664) 6.847 1.615 ( -4.238 -4.515 0.975) 6.269 1.689 ( -4.385 0.346 -1.605) 4.683 1.734 ( -4.800 -3.969 4.232) 7.530 1.801 ( -2.245 -3.081 -1.496) 4.095 1.899 ( -1.878 -3.755 4.405) 6.085 1.949 ( -2.720 0.895 1.542) 3.253 1.979 ( -2.331 0.142 -1.824) 2.963 2.055 ( 2.129 -3.280 -1.801) 4.305 2.141 ( 1.412 0.506 1.401) 2.053 2.214 ( 0.168 -1.260 1.092) 1.676 2.234 ( -0.785 2.903 -5.011) 5.844 2.304 ( 1.619 -2.291 -6.667) 7.233 2.400 ( 0.447 0.659 3.016) 3.120 2.497 ( -3.502 2.305 0.500) 4.222 2.553 ( -0.200 -3.989 -2.399) 4.660 2.615 ( -1.340 -1.829 -1.930) 2.978 2.665 ( -2.547 0.849 -0.556) 2.742 2.709 ( -0.897 1.415 -2.532) 3.037 2.854 ( -1.397 1.126 2.251) 2.879 2.892 ( -1.146 1.906 -1.436) 2.647 2.962 ( 1.219 0.911 0.523) 1.609 2.965 ( 0.074 1.147 0.442) 1.232 3.062 ( -6.680 2.144 -0.089) 7.016 3.070 ( -4.685 2.527 -0.753) 5.376 3.116 ( -4.810 1.228 7.552) 9.038 3.201 ( -5.583 0.796 1.039) 5.735 3.219 ( -3.853 -0.015 -1.458) 4.120 3.242 ( -3.216 0.114 -1.917) 3.745 3.281 ( -5.097 2.911 0.769) 5.920 3.290 ( -4.448 2.823 0.260) 5.275 4.369 ( -1.991 0.017 0.398) 2.030 4.377 ( -1.983 -0.393 -0.359) 2.053 4.436 ( -3.403 1.914 0.601) 3.951 4.449 ( -2.794 1.318 -0.652) 3.157 4.573 ( -0.902 1.238 1.166) 1.925 4.603 ( -0.617 0.571 -1.565) 1.777 4.686 ( -2.571 -0.436 0.493) 2.654 4.694 ( -1.868 -0.540 -0.061) 1.945 4.758 ( -0.554 1.107 0.174) 1.250 4.760 ( -1.073 1.174 -0.079) 1.592 5.044 ( 0.995 -1.110 0.525) 1.581 5.064 ( 1.879 -0.919 -1.019) 2.327 5.167 ( -0.906 -0.426 0.237) 1.029 5.191 ( -0.081 -0.911 -1.748) 1.973 5.249 ( -1.163 -3.076 1.136) 3.479 5.257 ( -0.161 -2.900 0.324) 2.922 5.285 ( -0.303 0.158 1.816) 1.847 5.316 ( 1.100 -0.957 -0.983) 1.759 5.346 ( 0.310 -1.730 0.512) 1.831 5.362 ( 0.255 -2.319 -0.826) 2.474 5.563 ( -1.016 -0.401 0.876) 1.400 5.588 ( 0.053 0.008 -1.413) 1.414 5.613 ( -7.745 -0.274 0.321) 7.756 5.622 ( -7.878 -0.405 -0.539) 7.907 5.863 ( -1.509 -1.315 2.410) 3.133 5.918 ( -1.469 -0.327 -2.844) 3.217 6.014 ( -1.071 -0.643 1.924) 2.294 6.045 ( 0.253 -1.558 -1.079) 1.912 6.739 ( 6.640 -0.343 0.308) 6.656 6.745 ( 6.554 -0.243 -0.315) 6.566 ======================= Grid point 209 (75/98) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -4.396 -0.415 6.801) 8.109 0.797 ( -3.796 0.554 -5.347) 6.581 1.143 ( -13.227 -1.040 5.621) 14.410 1.286 ( -9.797 0.905 -5.251) 11.153 1.330 ( -9.663 4.697 6.243) 12.426 1.481 ( -5.914 4.811 -4.403) 8.804 1.593 ( -2.647 -7.821 0.412) 8.267 1.641 ( -4.720 -6.458 0.436) 8.011 1.661 ( -3.090 -2.301 3.674) 5.324 1.766 ( -3.280 -3.122 -2.397) 5.124 1.833 ( -4.893 -0.715 -0.863) 5.020 1.868 ( -5.109 -1.346 -2.592) 5.884 1.986 ( -0.062 -3.739 7.078) 8.005 2.108 ( 0.536 -2.975 -1.977) 3.612 2.153 ( -5.310 2.125 0.919) 5.793 2.168 ( -1.330 2.049 -0.226) 2.454 2.207 ( -1.718 0.184 1.249) 2.132 2.310 ( -3.532 1.024 -2.384) 4.382 2.345 ( -5.558 -1.861 -1.261) 5.995 2.422 ( -2.042 2.108 -2.816) 4.067 2.505 ( -4.393 -2.054 0.453) 4.870 2.582 ( -5.614 0.730 0.007) 5.661 2.591 ( -6.978 2.231 0.520) 7.345 2.641 ( -3.558 2.525 -7.203) 8.421 2.740 ( -7.504 3.668 0.954) 8.407 2.772 ( -5.573 3.472 -1.721) 6.787 2.806 ( -8.738 3.795 1.065) 9.586 2.825 ( -7.283 3.855 -0.580) 8.261 2.968 ( -4.329 3.385 4.088) 6.849 3.027 ( -0.781 1.809 0.268) 1.989 3.092 ( 0.058 0.869 2.471) 2.620 3.162 ( -1.747 -1.369 -2.097) 3.054 3.203 ( 2.218 -2.417 1.781) 3.733 3.225 ( 0.876 -1.649 -0.154) 1.873 3.243 ( 0.075 -1.173 1.389) 1.820 3.271 ( 1.851 -1.231 -1.088) 2.475 4.298 ( -4.907 1.638 0.404) 5.189 4.305 ( -5.045 1.532 -0.298) 5.281 4.356 ( -4.101 1.180 1.538) 4.536 4.394 ( -2.732 0.066 -2.077) 3.433 4.564 ( -0.226 -0.647 1.542) 1.688 4.607 ( 0.205 -1.426 -2.430) 2.825 4.631 ( -2.585 -0.520 1.691) 3.132 4.656 ( -2.242 -0.911 -0.517) 2.474 4.721 ( -1.895 1.402 0.948) 2.541 4.739 ( -0.605 1.476 -0.575) 1.695 5.060 ( 0.273 -0.514 0.736) 0.938 5.091 ( 0.274 -0.693 -2.159) 2.284 5.172 ( 1.542 0.403 1.723) 2.348 5.196 ( -0.118 -0.951 -0.382) 1.032 5.242 ( -0.845 -1.597 2.079) 2.755 5.280 ( 1.156 -0.674 -1.403) 1.939 5.302 ( 2.039 -1.645 1.200) 2.882 5.334 ( 0.875 -0.474 -1.688) 1.960 5.385 ( 2.409 -1.480 0.531) 2.877 5.398 ( 1.875 -1.270 -0.662) 2.359 5.508 ( -2.596 -0.053 0.126) 2.599 5.519 ( -2.257 -0.169 -0.691) 2.367 5.552 ( -1.535 -0.997 2.000) 2.711 5.599 ( -0.155 -0.203 -2.482) 2.495 5.828 ( -2.683 -0.694 2.192) 3.533 5.879 ( -2.490 0.212 -2.664) 3.653 6.004 ( -0.387 -1.676 3.828) 4.197 6.068 ( 1.147 -2.206 -2.408) 3.461 6.841 ( 3.892 -0.519 0.178) 3.930 6.845 ( 3.733 -0.371 -0.176) 3.756 ======================= Grid point 210 (76/98) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -2.886 -1.109 7.200) 7.836 0.731 ( -2.703 0.211 -5.245) 5.904 0.889 ( -11.873 4.617 7.318) 14.692 1.086 ( -9.707 2.303 -11.047) 14.885 1.110 ( -9.092 9.772 12.024) 17.965 1.316 ( -8.044 6.468 -6.689) 12.300 1.517 ( -8.559 -1.624 6.136) 10.656 1.572 ( -5.953 -2.985 -1.288) 6.783 1.616 ( -4.177 -0.966 2.751) 5.094 1.698 ( -3.643 -1.467 -1.704) 4.281 1.762 ( -4.137 -2.109 -1.689) 4.942 1.791 ( -6.659 -0.588 -2.061) 6.995 1.906 ( -8.886 5.329 4.071) 11.132 1.954 ( -7.148 -1.273 3.279) 7.966 2.053 ( -7.802 2.032 -1.868) 8.276 2.102 ( -6.353 2.188 -2.121) 7.046 2.157 ( -2.964 -0.639 -0.291) 3.046 2.191 ( -7.389 3.646 -6.518) 10.506 2.266 ( -0.621 1.118 2.772) 3.052 2.355 ( -2.219 3.495 -4.088) 5.818 2.418 ( -4.252 2.376 1.694) 5.158 2.454 ( -5.247 0.954 -0.275) 5.340 2.480 ( -1.612 -2.485 2.289) 3.743 2.543 ( -6.489 2.087 -0.245) 6.821 2.609 ( -4.740 1.985 0.995) 5.234 2.635 ( -3.788 2.974 -1.264) 4.979 2.724 ( -2.104 1.579 -2.850) 3.878 2.749 ( -1.422 0.338 -3.933) 4.195 2.867 ( -3.432 1.951 6.044) 7.219 2.974 ( -2.793 3.248 -3.004) 5.232 3.085 ( 0.198 1.217 4.187) 4.364 3.159 ( 0.434 -0.870 -1.697) 1.955 3.229 ( -0.827 -4.467 1.384) 4.749 3.237 ( -1.412 -5.671 0.592) 5.874 3.302 ( 3.366 -2.747 1.493) 4.594 3.340 ( 3.289 -2.413 -1.880) 4.491 4.184 ( -5.533 1.982 0.346) 5.888 4.191 ( -5.497 1.957 -0.308) 5.843 4.253 ( -6.397 0.736 2.466) 6.895 4.319 ( -6.022 -1.397 -3.972) 7.348 4.552 ( -2.135 -1.725 1.708) 3.233 4.576 ( -1.592 -1.154 0.637) 2.067 4.628 ( -0.799 -1.616 0.069) 1.804 4.660 ( 2.111 -0.504 -3.129) 3.808 4.688 ( -0.582 0.947 2.367) 2.615 4.728 ( 0.608 0.894 -1.121) 1.557 5.068 ( 0.750 0.451 0.788) 1.178 5.096 ( 0.512 0.212 -1.589) 1.683 5.199 ( 0.282 -0.940 2.043) 2.267 5.209 ( 2.116 0.195 1.939) 2.876 5.240 ( -0.238 -2.128 1.618) 2.684 5.312 ( 2.117 0.361 -3.365) 3.992 5.350 ( 1.424 -0.474 0.297) 1.530 5.363 ( 2.299 0.135 -0.613) 2.384 5.430 ( 1.317 0.369 0.128) 1.374 5.434 ( 1.690 0.173 -0.124) 1.703 5.487 ( -0.220 0.554 1.019) 1.180 5.517 ( 1.147 0.371 -1.502) 1.926 5.525 ( -1.527 -1.141 2.151) 2.874 5.582 ( -1.532 0.148 -3.002) 3.373 5.776 ( -2.665 0.054 1.862) 3.252 5.833 ( -1.704 1.218 -3.206) 3.830 6.024 ( 1.402 -2.496 6.032) 6.676 6.114 ( 2.270 -2.884 -2.937) 4.701 6.894 ( 1.380 -0.454 0.038) 1.453 6.895 ( 1.526 -0.705 -0.052) 1.682 ======================= Grid point 211 (77/98) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.962 -0.311 6.984) 7.057 0.675 ( -5.014 9.393 10.299) 14.813 0.699 ( -0.888 -0.671 -3.408) 3.586 0.882 ( -8.872 10.244 10.893) 17.387 0.916 ( -5.422 5.901 -12.765) 15.072 1.103 ( -10.583 5.301 -9.605) 15.243 1.303 ( -10.380 13.802 11.927) 20.988 1.431 ( -6.501 7.373 2.753) 10.208 1.476 ( -5.371 6.397 8.281) 11.762 1.570 ( -6.514 1.839 -3.736) 7.731 1.690 ( -1.411 -1.501 -2.455) 3.205 1.717 ( -2.893 -0.760 -2.405) 3.838 1.772 ( -7.389 -0.405 1.820) 7.621 1.826 ( -8.667 -0.154 -3.713) 9.430 1.907 ( -2.840 6.043 -3.982) 7.774 1.978 ( -0.358 -2.641 -6.644) 7.158 2.080 ( -4.188 1.581 -0.611) 4.518 2.098 ( -3.626 -0.408 -1.808) 4.072 2.273 ( 1.459 1.731 4.570) 5.100 2.331 ( 0.862 2.228 -1.678) 2.919 2.365 ( -1.507 -0.165 1.197) 1.931 2.385 ( -1.862 -0.809 -0.600) 2.117 2.420 ( -3.044 2.770 3.319) 5.287 2.472 ( -1.886 -1.552 0.606) 2.517 2.525 ( -4.912 -0.644 -0.258) 4.960 2.572 ( -1.310 3.215 -3.781) 5.133 2.659 ( -2.233 2.354 3.292) 4.622 2.730 ( -0.413 0.929 -0.216) 1.040 2.845 ( 0.038 -2.364 0.920) 2.537 2.922 ( -0.554 1.786 -4.504) 4.877 3.088 ( 0.774 1.568 5.002) 5.299 3.172 ( 0.702 1.081 -2.326) 2.659 3.239 ( -0.630 -4.984 1.024) 5.127 3.244 ( -0.961 -6.344 0.393) 6.428 3.371 ( 2.024 -3.334 1.570) 4.205 3.407 ( 2.031 -3.040 -1.584) 3.985 4.081 ( -3.908 1.491 0.375) 4.199 4.089 ( -3.994 1.455 -0.359) 4.266 4.114 ( -6.755 1.079 1.646) 7.036 4.169 ( -10.271 -1.442 -4.059) 11.138 4.524 ( -1.462 -2.048 2.427) 3.496 4.564 ( -0.704 -2.003 -0.857) 2.290 4.628 ( -0.216 -1.183 1.654) 2.046 4.674 ( 0.051 -0.066 -0.206) 0.222 4.688 ( 0.304 0.691 1.208) 1.424 4.768 ( 2.623 -0.609 -5.239) 5.890 5.089 ( 1.879 1.440 0.573) 2.436 5.113 ( 1.437 0.917 -1.390) 2.199 5.216 ( 0.557 -1.933 1.924) 2.784 5.253 ( 0.977 -0.857 -1.055) 1.674 5.262 ( 3.511 -0.508 6.127) 7.080 5.347 ( 1.238 -0.344 -2.774) 3.057 5.367 ( 0.645 0.650 1.267) 1.563 5.401 ( 1.193 0.121 -1.492) 1.914 5.431 ( -1.276 0.324 1.060) 1.691 5.440 ( -0.110 0.608 -0.062) 0.621 5.480 ( -0.557 1.495 1.173) 1.980 5.496 ( -2.017 -1.090 1.483) 2.730 5.535 ( 0.921 3.887 -2.044) 4.487 5.558 ( -0.399 -0.965 -2.374) 2.594 5.735 ( -1.364 0.907 1.441) 2.181 5.805 ( -0.171 2.768 -4.070) 4.925 6.083 ( 2.868 -4.065 8.172) 9.567 6.182 ( 2.611 -3.903 -2.271) 5.216 6.906 ( -0.194 -0.242 0.112) 0.330 6.909 ( -0.411 -0.689 -0.225) 0.833 ======================= Grid point 212 (78/98) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -0.000 8.049 10.073) 12.894 0.584 ( -0.000 14.826 11.029) 18.478 0.698 ( 0.000 -5.018 6.921) 8.549 0.748 ( -0.000 2.214 -2.617) 3.428 0.821 ( -0.000 8.968 -11.716) 14.754 0.941 ( -0.000 6.842 -8.616) 11.003 1.083 ( -0.000 21.699 18.788) 28.702 1.347 ( -0.000 3.158 7.778) 8.395 1.388 ( -0.000 5.983 1.114) 6.086 1.492 ( -0.000 1.352 -6.537) 6.675 1.659 ( -0.000 9.023 -9.858) 13.364 1.682 ( -0.000 1.408 -3.585) 3.852 1.690 ( 0.000 -0.542 2.497) 2.556 1.722 ( 0.000 -1.940 -0.889) 2.134 1.890 ( 0.000 -1.524 1.787) 2.349 2.016 ( -0.000 1.275 1.199) 1.750 2.029 ( 0.000 -3.919 -9.232) 10.030 2.045 ( 0.000 -0.009 -1.445) 1.445 2.287 ( -0.000 0.579 4.530) 4.567 2.330 ( -0.000 1.745 0.383) 1.787 2.364 ( 0.000 -1.225 0.563) 1.348 2.376 ( 0.000 -1.208 -0.586) 1.343 2.376 ( -0.000 3.341 3.833) 5.085 2.451 ( 0.000 -0.233 0.846) 0.878 2.467 ( 0.000 -0.792 -0.689) 1.050 2.536 ( -0.000 3.537 -7.850) 8.610 2.641 ( -0.000 0.062 7.997) 7.997 2.722 ( -0.000 0.825 1.256) 1.503 2.860 ( 0.000 -2.485 0.043) 2.485 2.924 ( -0.000 0.369 -5.457) 5.469 3.090 ( -0.000 1.477 4.101) 4.358 3.170 ( -0.000 1.957 -2.529) 3.197 3.258 ( 0.000 -4.317 0.972) 4.425 3.272 ( 0.000 -5.132 -0.463) 5.153 3.410 ( 0.000 -3.085 1.846) 3.595 3.445 ( 0.000 -3.053 -1.290) 3.315 4.018 ( -0.000 1.409 0.015) 1.409 4.020 ( -0.000 1.313 -0.100) 1.316 4.040 ( -0.000 1.342 0.572) 1.459 4.051 ( -0.000 1.300 -0.485) 1.387 4.522 ( 0.000 -2.394 2.808) 3.690 4.570 ( 0.000 -2.438 -1.409) 2.816 4.632 ( 0.000 -1.012 2.066) 2.300 4.676 ( 0.000 -0.795 -1.219) 1.455 4.689 ( 0.000 -0.030 3.524) 3.524 4.799 ( 0.000 -0.535 -7.716) 7.735 5.103 ( -0.000 2.374 0.264) 2.388 5.125 ( -0.000 1.411 -1.446) 2.020 5.233 ( 0.000 -1.979 1.581) 2.533 5.265 ( 0.000 -1.016 -0.993) 1.421 5.353 ( 0.000 -0.503 0.207) 0.544 5.357 ( 0.000 -0.469 -0.215) 0.516 5.365 ( -0.000 1.314 1.183) 1.768 5.400 ( -0.000 0.442 -0.578) 0.728 5.419 ( 0.000 -3.352 5.384) 6.343 5.431 ( -0.000 0.717 0.068) 0.720 5.433 ( -0.000 0.770 -0.060) 0.772 5.481 ( -0.000 1.672 0.405) 1.720 5.522 ( -0.000 3.802 0.016) 3.802 5.561 ( 0.000 -0.643 -2.560) 2.640 5.712 ( -0.000 2.438 1.583) 2.907 5.790 ( -0.000 2.855 -4.422) 5.264 6.156 ( 0.000 -7.880 8.843) 11.844 6.236 ( 0.000 -4.664 -0.899) 4.750 6.899 ( 0.000 -0.011 0.076) 0.076 6.901 ( -0.000 0.033 -0.076) 0.083 ======================= Grid point 217 (79/98) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.873 -0.000 5.355) 5.426 0.948 ( 1.067 -0.000 -4.573) 4.696 1.612 ( -1.917 0.000 2.320) 3.010 1.683 ( 1.571 -0.000 -0.926) 1.824 1.731 ( -2.972 0.000 -0.319) 2.989 1.769 ( -2.100 0.000 -0.880) 2.277 1.834 ( -1.606 0.000 0.593) 1.712 1.834 ( -3.481 0.000 0.079) 3.482 1.870 ( -3.502 0.000 6.209) 7.129 1.883 ( -4.572 0.000 0.261) 4.579 1.912 ( 1.570 -0.000 1.924) 2.484 1.943 ( -1.131 0.000 4.773) 4.905 2.049 ( -1.171 0.000 -2.317) 2.596 2.119 ( 3.033 -0.000 -5.718) 6.473 2.214 ( -2.037 0.000 0.427) 2.081 2.234 ( 0.957 -0.000 -0.110) 0.963 2.252 ( -1.502 0.000 0.111) 1.506 2.307 ( -1.940 0.000 -0.105) 1.943 2.366 ( -0.695 0.000 -5.371) 5.416 2.388 ( 1.132 -0.000 -2.361) 2.618 2.449 ( 2.769 -0.000 1.996) 3.413 2.521 ( -0.640 0.000 -5.267) 5.306 2.698 ( -0.911 0.000 1.930) 2.134 2.732 ( -1.040 0.000 -1.840) 2.114 2.810 ( -2.773 0.000 0.420) 2.804 2.818 ( -2.958 0.000 -0.063) 2.959 2.833 ( 0.467 -0.000 0.241) 0.526 2.837 ( 0.864 -0.000 -0.014) 0.864 3.141 ( 2.297 -0.000 0.559) 2.364 3.155 ( 3.085 -0.000 -0.618) 3.146 3.176 ( 1.691 -0.000 3.726) 4.092 3.196 ( -1.069 0.000 1.734) 2.037 3.507 ( 7.638 -0.000 0.098) 7.639 3.512 ( 6.743 -0.000 -0.336) 6.751 3.529 ( 4.481 -0.000 0.122) 4.483 3.529 ( 3.921 -0.000 0.150) 3.924 4.381 ( -0.864 0.000 0.744) 1.141 4.397 ( -1.070 0.000 -0.689) 1.273 4.478 ( 2.868 -0.000 0.988) 3.033 4.495 ( 2.305 -0.000 -0.542) 2.368 4.630 ( 2.347 -0.000 0.306) 2.367 4.648 ( 1.879 -0.000 -1.361) 2.321 4.694 ( -0.908 0.000 0.254) 0.943 4.702 ( -0.606 0.000 -0.493) 0.782 4.787 ( 0.121 -0.000 0.218) 0.249 4.791 ( 0.098 -0.000 -0.229) 0.249 5.044 ( -1.534 0.000 0.228) 1.551 5.049 ( -1.210 0.000 -0.201) 1.226 5.220 ( -0.013 0.000 0.801) 0.801 5.244 ( 0.635 -0.000 -1.818) 1.925 5.285 ( -1.588 0.000 1.380) 2.104 5.313 ( -2.030 0.000 -0.760) 2.167 5.324 ( -0.871 0.000 0.596) 1.055 5.332 ( 0.016 -0.000 0.027) 0.032 5.352 ( -0.678 0.000 1.284) 1.452 5.377 ( -1.037 0.000 -0.969) 1.419 5.573 ( -0.285 0.000 0.608) 0.671 5.589 ( -0.329 0.000 -0.865) 0.925 5.899 ( -0.682 0.000 1.144) 1.332 5.931 ( -0.803 0.000 -2.024) 2.177 6.021 ( 0.250 -0.000 1.616) 1.635 6.047 ( 0.606 -0.000 -1.066) 1.226 6.090 ( 9.788 -0.000 0.240) 9.791 6.092 ( 10.669 -0.000 0.039) 10.669 6.394 ( -10.689 0.000 0.111) 10.689 6.397 ( -10.175 0.000 -0.142) 10.176 ======================= Grid point 218 (80/98) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.812 0.008 5.599) 5.657 0.955 ( -0.444 0.034 -4.831) 4.851 1.547 ( -4.390 2.884 2.414) 5.780 1.601 ( -7.202 -0.139 -2.397) 7.592 1.683 ( -3.810 -1.259 0.456) 4.039 1.701 ( -5.136 -3.312 -0.845) 6.170 1.753 ( -3.311 0.203 1.421) 3.609 1.770 ( -2.211 -0.109 0.713) 2.325 1.820 ( -2.422 -0.334 4.802) 5.389 1.837 ( -2.339 -0.003 2.589) 3.489 1.921 ( -1.468 -1.245 6.512) 6.791 1.960 ( 2.162 -0.119 3.085) 3.769 2.050 ( 0.762 0.106 -3.384) 3.471 2.145 ( -4.630 0.782 -10.201) 11.230 2.151 ( -1.184 0.271 2.451) 2.735 2.214 ( -0.858 0.405 -0.696) 1.177 2.226 ( -1.233 -1.479 -2.346) 3.035 2.275 ( -0.231 0.219 -5.735) 5.744 2.361 ( 0.559 0.743 -1.265) 1.570 2.399 ( 0.577 -1.610 -2.500) 3.029 2.530 ( 4.390 0.739 1.054) 4.575 2.550 ( 2.634 0.439 -0.672) 2.753 2.698 ( 0.637 -0.216 2.350) 2.444 2.733 ( 0.392 -0.234 -1.192) 1.276 2.782 ( 0.683 1.005 0.591) 1.351 2.797 ( 1.599 0.265 -0.939) 1.873 2.859 ( 1.423 0.362 0.828) 1.685 2.873 ( 2.166 -0.728 -0.520) 2.344 3.163 ( 0.223 -0.016 0.842) 0.871 3.169 ( -1.471 0.015 2.616) 3.001 3.204 ( 1.622 0.204 0.385) 1.680 3.215 ( 2.009 0.076 1.304) 2.396 3.528 ( -3.603 0.779 0.353) 3.703 3.536 ( -3.206 0.923 -0.440) 3.366 3.557 ( -2.107 -0.336 0.544) 2.202 3.568 ( -1.542 -0.633 -0.509) 1.743 4.372 ( -0.066 -0.265 0.614) 0.672 4.383 ( -0.356 -0.273 -0.391) 0.595 4.518 ( 0.954 0.107 0.376) 1.031 4.522 ( 0.280 0.007 0.007) 0.280 4.665 ( -0.121 1.108 0.167) 1.127 4.682 ( 1.043 0.306 -0.182) 1.102 4.685 ( -0.069 0.736 -1.009) 1.251 4.688 ( 1.699 0.070 -0.775) 1.869 4.781 ( -0.815 -0.526 0.622) 1.152 4.788 ( -0.638 -0.705 -0.181) 0.968 5.012 ( -1.524 -0.160 0.482) 1.607 5.026 ( -1.049 -0.118 -0.776) 1.310 5.196 ( -2.054 -0.217 1.730) 2.694 5.231 ( -1.915 0.229 -1.710) 2.577 5.263 ( -1.124 -0.583 0.246) 1.290 5.278 ( -1.370 -0.287 -1.014) 1.728 5.295 ( -1.555 -0.005 1.160) 1.940 5.317 ( -1.124 -0.001 -0.674) 1.310 5.350 ( -0.420 -0.185 1.501) 1.569 5.369 ( -0.221 -0.094 -0.557) 0.607 5.571 ( 0.060 -0.045 0.462) 0.468 5.582 ( -0.370 0.050 -0.604) 0.710 5.874 ( -1.500 -0.117 1.379) 2.041 5.911 ( -1.422 -0.101 -2.145) 2.576 6.007 ( -1.831 -0.041 1.459) 2.342 6.033 ( -2.050 -0.026 -1.061) 2.308 6.094 ( -10.216 0.028 0.439) 10.226 6.100 ( -9.372 0.033 -0.153) 9.373 6.384 ( 10.209 -0.047 0.513) 10.222 6.395 ( 10.105 -0.013 -0.528) 10.119 ======================= Grid point 219 (81/98) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -2.528 0.026 6.007) 6.517 0.930 ( -2.060 0.201 -5.125) 5.528 1.434 ( -6.068 -1.217 2.726) 6.762 1.482 ( -6.053 -2.759 -1.022) 6.730 1.599 ( -5.441 -2.379 -1.742) 6.189 1.610 ( -5.662 -2.280 -1.408) 6.264 1.715 ( -4.022 -0.056 6.343) 7.511 1.725 ( -2.020 -1.107 5.167) 5.657 1.776 ( -2.242 -0.587 1.897) 2.995 1.799 ( -1.670 -1.399 -0.150) 2.183 1.898 ( -1.926 -0.764 2.215) 3.033 1.971 ( -1.142 -0.795 0.147) 1.400 2.031 ( -4.070 -0.203 -2.040) 4.557 2.056 ( -0.821 0.388 -2.301) 2.473 2.135 ( -0.143 1.243 0.980) 1.589 2.195 ( -0.466 -0.717 -0.104) 0.862 2.244 ( 1.125 -1.376 -7.356) 7.568 2.277 ( 0.596 1.932 -7.471) 7.740 2.384 ( 1.787 0.441 1.786) 2.564 2.446 ( 2.786 -2.918 -2.922) 4.981 2.571 ( 0.358 1.537 2.226) 2.729 2.595 ( 1.322 -0.658 0.123) 1.482 2.698 ( -0.769 -0.144 0.580) 0.974 2.733 ( -0.056 0.425 -1.728) 1.781 2.827 ( 3.263 0.110 1.822) 3.739 2.857 ( 3.728 0.367 -1.212) 3.937 2.899 ( 3.464 0.123 1.048) 3.621 2.922 ( 3.114 0.427 -1.136) 3.343 3.137 ( -1.767 0.319 3.984) 4.370 3.149 ( -1.773 0.324 0.769) 1.960 3.209 ( -1.166 0.547 0.896) 1.569 3.239 ( 0.362 0.084 -0.325) 0.494 3.396 ( -9.200 0.929 0.648) 9.269 3.409 ( -8.931 1.215 -0.580) 9.032 3.457 ( -7.362 0.821 0.739) 7.444 3.472 ( -7.644 1.071 -0.752) 7.755 4.377 ( 0.135 -0.439 0.383) 0.598 4.383 ( -0.141 -0.575 -0.148) 0.610 4.504 ( -1.810 0.298 0.048) 1.835 4.506 ( -1.919 0.357 -0.037) 1.952 4.639 ( -1.263 2.448 0.569) 2.813 4.656 ( -1.451 1.914 -0.871) 2.555 4.706 ( -0.329 -0.063 -0.137) 0.362 4.713 ( 0.323 0.193 -0.922) 0.995 4.772 ( -0.212 -0.146 0.825) 0.864 4.778 ( -0.148 -0.348 0.039) 0.380 5.003 ( 0.519 -1.092 0.399) 1.274 5.021 ( 0.565 -0.736 -1.090) 1.432 5.166 ( -1.126 -1.205 1.097) 1.980 5.191 ( -1.973 -0.696 -1.285) 2.455 5.238 ( -1.951 -1.252 0.493) 2.370 5.252 ( -1.605 -0.576 -1.155) 2.060 5.278 ( -0.317 -0.741 1.406) 1.621 5.301 ( -0.533 -0.283 -0.647) 0.885 5.335 ( -1.163 -0.568 1.593) 2.052 5.360 ( -0.860 -0.169 -0.870) 1.235 5.573 ( -0.496 -0.003 0.071) 0.501 5.576 ( 0.395 -0.094 -0.231) 0.467 5.802 ( -10.836 -0.068 0.393) 10.843 5.812 ( -9.875 -0.439 -0.417) 9.894 5.878 ( -3.895 -0.399 2.053) 4.421 5.933 ( -1.548 -0.273 -3.155) 3.525 6.027 ( -0.632 -0.032 1.038) 1.215 6.035 ( -0.766 -0.376 0.049) 0.855 6.581 ( 9.463 -0.124 0.427) 9.473 6.591 ( 9.389 -0.070 -0.442) 9.400 ======================= Grid point 220 (82/98) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -4.024 -0.045 6.553) 7.690 0.876 ( -3.403 0.351 -5.402) 6.394 1.316 ( -8.266 -3.189 4.052) 9.742 1.407 ( -4.395 -3.394 -4.077) 6.889 1.496 ( -5.521 -1.789 0.906) 5.874 1.540 ( -3.748 -3.762 -3.246) 6.224 1.595 ( -6.472 0.988 6.277) 9.070 1.698 ( -5.889 0.012 -0.193) 5.892 1.702 ( -2.213 -1.807 6.059) 6.699 1.774 ( -2.340 -1.943 -1.402) 3.349 1.865 ( -1.960 -1.887 4.508) 5.266 1.962 ( -3.519 1.102 1.295) 3.908 1.970 ( -1.428 -2.423 -4.877) 5.630 2.030 ( -0.527 -0.841 -1.943) 2.181 2.146 ( 1.507 0.457 1.790) 2.384 2.202 ( 0.442 -0.782 0.471) 1.014 2.256 ( -0.551 0.018 -4.660) 4.692 2.290 ( 1.596 0.747 -8.587) 8.766 2.408 ( 0.561 0.672 3.664) 3.767 2.506 ( 0.295 -3.885 -3.002) 4.919 2.520 ( -4.754 1.514 2.032) 5.387 2.591 ( -2.124 -2.233 -1.234) 3.320 2.672 ( -1.577 0.429 -0.586) 1.736 2.723 ( -0.945 1.031 -2.851) 3.175 2.864 ( -0.301 0.776 3.045) 3.157 2.911 ( 0.840 1.555 -1.520) 2.331 2.969 ( 2.561 0.452 0.449) 2.639 2.975 ( 1.359 0.607 0.019) 1.489 3.085 ( -4.684 2.018 0.625) 5.138 3.095 ( -2.294 1.742 0.699) 2.964 3.134 ( -6.310 2.153 5.511) 8.650 3.204 ( -7.594 -0.101 1.437) 7.729 3.216 ( -4.727 -0.513 -1.162) 4.894 3.239 ( -5.004 -0.579 -2.158) 5.481 3.310 ( -6.637 2.329 0.168) 7.035 3.317 ( -5.181 2.018 0.156) 5.563 4.368 ( -1.575 -0.130 0.220) 1.595 4.372 ( -1.601 -0.499 -0.137) 1.683 4.452 ( -3.189 1.025 0.394) 3.373 4.460 ( -2.568 0.726 -0.417) 2.701 4.592 ( -1.962 2.068 0.657) 2.925 4.612 ( -1.870 1.046 -1.237) 2.474 4.679 ( -2.625 -0.881 0.587) 2.830 4.687 ( -2.438 -0.791 0.085) 2.565 4.770 ( -0.023 1.205 0.321) 1.247 4.775 ( -0.660 1.475 -0.133) 1.622 5.033 ( 1.469 -0.916 0.232) 1.747 5.054 ( 1.935 -0.962 -1.478) 2.618 5.162 ( -0.149 -0.477 0.333) 0.601 5.179 ( 0.280 -1.347 -0.883) 1.634 5.217 ( -0.745 -2.454 1.478) 2.960 5.234 ( -0.370 -1.248 -0.518) 1.401 5.289 ( 0.060 0.400 1.501) 1.555 5.302 ( 1.105 -1.450 0.407) 1.868 5.330 ( 0.687 -1.646 -0.285) 1.806 5.341 ( -1.058 -1.102 -1.113) 1.891 5.560 ( -1.000 -0.226 1.047) 1.465 5.587 ( 0.467 -0.026 -1.566) 1.634 5.610 ( -7.832 -0.138 0.209) 7.836 5.619 ( -8.222 -0.226 -0.555) 8.244 5.850 ( -1.404 -0.996 2.970) 3.433 5.915 ( -1.320 -0.336 -3.115) 3.399 6.009 ( -1.360 -0.239 1.359) 1.937 6.031 ( -0.018 -1.122 -0.631) 1.288 6.736 ( 6.593 -0.232 0.348) 6.607 6.743 ( 6.504 -0.169 -0.356) 6.516 ======================= Grid point 221 (83/98) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -4.564 -0.253 7.311) 8.623 0.803 ( -3.785 0.477 -5.715) 6.872 1.151 ( -8.935 2.542 4.708) 10.414 1.287 ( -8.521 0.384 -8.263) 11.876 1.399 ( -5.627 6.404 8.718) 12.193 1.496 ( -1.963 -4.701 -0.053) 5.095 1.523 ( -3.222 -4.777 -2.320) 6.212 1.578 ( -6.280 -1.328 -1.005) 6.497 1.662 ( -2.368 1.161 4.781) 5.460 1.732 ( -3.337 -3.217 -0.851) 4.713 1.817 ( -4.256 -2.321 2.293) 5.363 1.855 ( -6.763 -0.935 -2.119) 7.149 1.950 ( -1.292 -2.445 2.398) 3.660 2.062 ( 0.351 -5.340 -3.664) 6.486 2.170 ( 0.400 1.315 1.660) 2.155 2.188 ( -3.800 1.352 2.710) 4.859 2.223 ( -1.776 2.493 -1.905) 3.605 2.298 ( -1.959 -2.026 -6.813) 7.373 2.346 ( -6.623 1.082 2.951) 7.331 2.440 ( -1.776 1.294 -3.105) 3.804 2.466 ( -4.310 -4.085 0.281) 5.945 2.559 ( -3.328 -2.302 0.092) 4.048 2.639 ( -3.308 3.470 -1.420) 5.000 2.668 ( -3.083 2.140 -4.354) 5.748 2.780 ( -7.071 3.210 0.928) 7.820 2.810 ( -6.901 4.014 -1.695) 8.161 2.857 ( -9.661 5.460 1.478) 11.196 2.873 ( -7.942 4.945 -0.213) 9.358 3.001 ( -3.708 2.795 4.615) 6.547 3.042 ( 0.240 1.041 1.706) 2.013 3.100 ( 0.548 0.413 0.134) 0.699 3.146 ( -2.815 -1.574 -1.766) 3.677 3.174 ( 0.493 -2.870 1.625) 3.335 3.196 ( -1.989 -3.295 -0.352) 3.865 3.237 ( -0.744 -0.263 0.876) 1.178 3.259 ( 0.109 -1.028 -0.791) 1.302 4.311 ( -4.277 0.846 0.327) 4.372 4.317 ( -4.297 0.622 -0.222) 4.347 4.371 ( -4.514 1.569 1.161) 4.918 4.398 ( -3.551 0.712 -1.377) 3.874 4.558 ( -1.200 -0.478 0.904) 1.576 4.590 ( -0.843 -1.594 -2.050) 2.730 4.626 ( -2.484 -0.429 1.608) 2.990 4.645 ( -2.211 -1.002 -0.125) 2.431 4.736 ( -2.167 1.289 0.989) 2.708 4.755 ( -0.718 1.289 -0.608) 1.596 5.056 ( 0.692 -0.203 0.299) 0.780 5.085 ( 0.711 -0.554 -2.363) 2.529 5.173 ( 0.913 -0.296 1.299) 1.615 5.186 ( 0.035 -0.936 0.275) 0.976 5.229 ( -0.165 -0.570 2.506) 2.575 5.268 ( 2.855 -1.335 -0.614) 3.211 5.293 ( 1.847 -0.127 0.420) 1.898 5.329 ( 0.867 -0.472 -2.118) 2.336 5.368 ( 3.505 -1.507 0.791) 3.897 5.384 ( 3.046 -1.296 -0.670) 3.378 5.509 ( -2.620 0.086 0.086) 2.622 5.517 ( -2.439 -0.187 -0.555) 2.508 5.543 ( -1.554 -0.689 2.001) 2.626 5.596 ( -0.072 -0.230 -3.234) 3.243 5.821 ( -2.252 -0.723 3.077) 3.880 5.880 ( -2.172 0.018 -2.694) 3.460 5.989 ( -0.784 -1.056 3.253) 3.509 6.047 ( 0.920 -1.747 -2.229) 2.978 6.836 ( 3.819 -0.389 0.240) 3.846 6.841 ( 3.694 -0.287 -0.239) 3.713 ======================= Grid point 222 (84/98) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -3.191 -0.668 8.067) 8.701 0.735 ( -2.832 0.575 -5.768) 6.452 0.963 ( -7.147 8.869 4.684) 12.316 1.115 ( -7.671 3.672 -9.252) 12.567 1.230 ( -6.733 11.908 10.919) 17.504 1.388 ( -8.495 6.633 -3.439) 11.313 1.485 ( -4.561 -5.205 1.932) 7.185 1.529 ( -2.516 -4.688 -2.042) 5.699 1.609 ( -1.986 0.225 3.903) 4.385 1.673 ( -3.786 -2.727 -0.061) 4.666 1.737 ( -5.674 -2.175 -1.853) 6.353 1.779 ( -1.160 -1.435 -3.887) 4.303 1.915 ( -6.079 -3.572 4.271) 8.243 1.975 ( -11.823 3.164 2.021) 12.405 2.055 ( -5.582 0.144 1.819) 5.873 2.133 ( -4.472 0.745 -1.073) 4.659 2.151 ( -4.308 1.582 0.703) 4.642 2.228 ( -4.831 2.942 -8.764) 10.431 2.277 ( 0.384 0.892 3.197) 3.341 2.391 ( -1.965 2.883 -6.392) 7.282 2.438 ( -3.024 -1.294 4.148) 5.294 2.470 ( -5.689 4.196 1.668) 7.263 2.475 ( -4.794 1.878 -0.165) 5.151 2.569 ( -5.912 3.608 -3.746) 7.874 2.647 ( -6.870 3.854 2.288) 8.202 2.667 ( -3.870 3.163 0.499) 5.022 2.738 ( -1.027 0.310 -3.213) 3.387 2.750 ( -3.292 0.965 -4.507) 5.664 2.896 ( -4.853 3.299 6.812) 8.991 3.006 ( -3.128 2.682 -2.595) 4.870 3.093 ( -0.070 -0.028 2.222) 2.223 3.145 ( 0.952 -2.058 -1.427) 2.679 3.168 ( -2.677 -6.473 2.227) 7.350 3.180 ( -2.101 -4.724 1.053) 5.277 3.270 ( 2.457 -3.119 1.520) 4.251 3.315 ( 2.933 -2.223 -2.418) 4.404 4.205 ( -5.583 1.854 0.351) 5.893 4.212 ( -5.523 1.833 -0.271) 5.825 4.261 ( -6.505 0.781 1.824) 6.800 4.306 ( -6.616 -1.078 -2.436) 7.132 4.534 ( -2.222 -1.568 1.521) 3.116 4.564 ( -1.723 -1.126 -0.121) 2.062 4.610 ( -0.756 -1.697 0.871) 2.052 4.653 ( 2.502 -0.710 -3.171) 4.101 4.698 ( -0.936 0.837 2.401) 2.710 4.738 ( -0.081 0.954 -1.154) 1.499 5.071 ( 1.010 0.114 0.374) 1.083 5.097 ( 0.805 0.042 -1.823) 1.994 5.181 ( -0.189 -1.851 1.755) 2.558 5.212 ( 1.186 -1.190 -0.706) 1.823 5.227 ( 0.880 0.542 5.160) 5.262 5.318 ( 2.306 0.739 -3.334) 4.121 5.346 ( 2.282 -0.220 0.409) 2.328 5.366 ( 2.495 0.270 -1.258) 2.807 5.433 ( 1.814 0.180 0.370) 1.860 5.436 ( 1.952 0.269 0.096) 1.973 5.491 ( 0.577 0.224 1.084) 1.248 5.514 ( -1.695 -0.552 1.991) 2.673 5.518 ( 1.652 -0.466 -1.136) 2.059 5.585 ( -0.996 0.246 -4.521) 4.636 5.778 ( -2.124 0.208 3.072) 3.741 5.845 ( -0.933 1.013 -3.196) 3.480 6.001 ( 1.233 -1.819 5.392) 5.822 6.085 ( 1.930 -2.456 -2.873) 4.243 6.888 ( 1.516 -0.540 0.094) 1.612 6.890 ( 1.412 -0.347 -0.092) 1.457 ======================= Grid point 223 (85/98) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -0.307 -1.571 8.079) 8.236 0.694 ( -1.297 0.357 -4.129) 4.343 0.808 ( -2.013 13.717 5.412) 14.883 0.972 ( -4.750 7.179 -4.872) 9.891 1.021 ( -7.181 12.306 3.063) 14.574 1.165 ( -10.360 6.101 -6.002) 13.438 1.396 ( -2.560 5.075 7.873) 9.710 1.497 ( -1.848 3.739 -0.150) 4.173 1.560 ( -3.030 4.976 3.336) 6.713 1.626 ( -7.155 6.872 -1.386) 10.016 1.657 ( -3.751 -0.206 2.572) 4.553 1.694 ( -0.968 -2.968 1.188) 3.340 1.774 ( -7.395 0.612 1.034) 7.492 1.804 ( -7.109 -2.894 0.224) 7.678 1.950 ( -1.401 -0.655 -4.010) 4.298 2.011 ( -4.149 7.935 -6.888) 11.297 2.086 ( -3.864 -1.527 -0.626) 4.202 2.104 ( -4.857 4.444 -5.277) 8.437 2.294 ( 1.470 1.905 4.642) 5.229 2.357 ( -0.481 1.507 -0.028) 1.583 2.365 ( -0.780 1.360 -0.688) 1.712 2.383 ( -2.626 0.698 -1.339) 3.029 2.442 ( -1.575 0.107 1.916) 2.483 2.468 ( -2.653 1.654 0.492) 3.165 2.525 ( -4.615 1.075 2.291) 5.263 2.603 ( -1.587 2.378 -1.443) 3.203 2.683 ( -2.679 1.991 -1.667) 3.731 2.739 ( -0.145 0.373 -2.660) 2.690 2.822 ( -1.535 -1.250 4.639) 5.044 2.939 ( -1.832 1.421 -4.733) 5.270 3.100 ( 0.493 0.037 4.340) 4.368 3.163 ( -1.338 -7.656 0.517) 7.789 3.174 ( -0.009 -3.679 -0.438) 3.705 3.183 ( 0.256 -2.888 0.690) 2.980 3.330 ( 1.614 -4.114 1.415) 4.640 3.373 ( 1.718 -2.910 -2.369) 4.127 4.099 ( -4.184 1.682 0.359) 4.524 4.106 ( -4.293 1.625 -0.322) 4.601 4.126 ( -6.243 1.073 1.162) 6.440 4.158 ( -8.696 -0.644 -2.013) 8.949 4.504 ( -1.518 -1.634 2.246) 3.165 4.546 ( -0.896 -1.412 -1.208) 2.063 4.614 ( -0.002 -1.284 2.462) 2.777 4.677 ( 0.027 0.403 0.313) 0.511 4.698 ( 0.551 1.125 -0.690) 1.430 4.760 ( 2.261 -0.727 -4.423) 5.020 5.096 ( 1.515 -0.025 0.162) 1.524 5.118 ( 1.225 0.033 -1.520) 1.952 5.195 ( 0.456 -2.117 2.307) 3.164 5.232 ( 0.661 -2.274 0.457) 2.412 5.270 ( 3.554 1.102 4.574) 5.897 5.346 ( 0.757 0.131 -2.371) 2.492 5.372 ( 0.808 0.342 1.019) 1.345 5.403 ( 1.258 0.389 -1.435) 1.947 5.434 ( -1.257 0.336 1.444) 1.944 5.447 ( 0.106 0.699 0.016) 0.707 5.475 ( -3.068 -0.935 0.988) 3.356 5.504 ( 0.445 1.266 0.794) 1.559 5.549 ( 0.884 -0.395 -2.079) 2.294 5.577 ( 1.407 3.433 -3.735) 5.264 5.747 ( -0.674 1.237 3.159) 3.459 5.834 ( 0.537 2.647 -4.404) 5.167 6.048 ( 2.169 -2.519 7.072) 7.814 6.142 ( 2.119 -3.369 -2.455) 4.676 6.903 ( -0.067 -0.342 0.025) 0.349 6.904 ( -0.031 -0.271 -0.046) 0.277 ======================= Grid point 224 (86/98) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 -0.638 7.168) 7.196 0.676 ( -0.000 0.564 0.855) 1.024 0.744 ( -0.000 14.552 7.894) 16.556 0.816 ( -0.000 10.742 3.401) 11.267 0.924 ( -0.000 9.859 -9.249) 13.518 1.002 ( -0.000 5.782 -10.243) 11.763 1.341 ( -0.000 24.460 15.661) 29.044 1.385 ( -0.000 3.886 6.524) 7.593 1.472 ( -0.000 8.947 6.029) 10.789 1.508 ( -0.000 1.607 -5.491) 5.721 1.678 ( 0.000 -1.829 -4.412) 4.776 1.685 ( 0.000 -0.303 1.633) 1.660 1.703 ( 0.000 -1.487 -0.333) 1.524 1.714 ( 0.000 -0.445 -1.654) 1.713 1.928 ( -0.000 8.971 -8.365) 12.266 1.984 ( 0.000 -3.321 -8.811) 9.417 2.026 ( -0.000 0.412 0.580) 0.712 2.041 ( 0.000 -0.839 -0.791) 1.153 2.302 ( -0.000 2.118 4.621) 5.083 2.349 ( 0.000 -1.432 0.608) 1.556 2.358 ( -0.000 3.319 -0.627) 3.377 2.362 ( 0.000 -1.296 -0.598) 1.427 2.418 ( -0.000 4.320 4.901) 6.533 2.448 ( 0.000 -0.223 0.501) 0.549 2.458 ( 0.000 -0.828 -0.434) 0.935 2.571 ( -0.000 2.937 -6.729) 7.342 2.650 ( -0.000 1.192 6.156) 6.270 2.732 ( -0.000 1.052 -0.389) 1.122 2.828 ( 0.000 -3.409 1.455) 3.707 2.925 ( 0.000 -0.051 -5.402) 5.402 3.104 ( -0.000 0.887 4.674) 4.757 3.187 ( 0.000 -0.749 -3.083) 3.173 3.194 ( 0.000 -6.037 1.642) 6.256 3.208 ( 0.000 -6.211 0.389) 6.224 3.370 ( 0.000 -4.195 1.489) 4.451 3.408 ( 0.000 -3.512 -1.851) 3.970 4.035 ( -0.000 1.586 -0.015) 1.586 4.036 ( -0.000 1.619 -0.080) 1.621 4.056 ( -0.000 1.674 0.552) 1.763 4.067 ( -0.000 1.614 -0.456) 1.678 4.499 ( 0.000 -1.911 2.618) 3.242 4.546 ( 0.000 -1.868 -1.479) 2.382 4.619 ( 0.000 -1.114 2.454) 2.695 4.674 ( -0.000 0.346 0.253) 0.429 4.696 ( -0.000 1.044 0.986) 1.436 4.791 ( 0.000 -0.861 -7.223) 7.274 5.115 ( 0.000 -0.006 -0.195) 0.195 5.132 ( -0.000 0.011 -1.377) 1.377 5.212 ( 0.000 -2.072 2.317) 3.108 5.252 ( 0.000 -1.588 -0.926) 1.838 5.347 ( 0.000 -0.536 0.228) 0.582 5.352 ( 0.000 -0.484 -0.237) 0.539 5.376 ( 0.000 -0.672 4.379) 4.430 5.386 ( 0.000 -0.466 5.467) 5.487 5.409 ( -0.000 0.729 -2.150) 2.270 5.439 ( -0.000 0.773 0.096) 0.779 5.441 ( -0.000 0.830 -0.087) 0.834 5.500 ( -0.000 1.550 -0.399) 1.601 5.557 ( -0.000 0.763 -2.470) 2.585 5.573 ( -0.000 4.210 -1.995) 4.659 5.734 ( -0.000 1.767 2.448) 3.019 5.825 ( -0.000 3.383 -4.883) 5.940 6.092 ( 0.000 -4.227 8.282) 9.298 6.187 ( 0.000 -4.284 -1.808) 4.650 6.899 ( 0.000 -0.010 0.098) 0.098 6.901 ( -0.000 0.035 -0.098) 0.105 ======================= Grid point 231 (87/98) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -2.531 0.000 6.051) 6.559 0.931 ( -2.032 0.000 -5.170) 5.555 1.429 ( -8.705 0.000 2.611) 9.088 1.465 ( -5.068 0.000 -0.042) 5.068 1.588 ( -5.688 0.000 -2.532) 6.226 1.596 ( -4.720 0.000 -2.210) 5.211 1.714 ( -1.317 0.000 4.969) 5.141 1.720 ( -4.398 0.000 6.843) 8.134 1.775 ( -2.883 0.000 3.808) 4.776 1.789 ( -1.551 0.000 -0.060) 1.553 1.895 ( -1.084 0.000 1.168) 1.594 1.966 ( -2.637 0.000 -1.338) 2.957 2.031 ( -3.477 0.000 -0.682) 3.543 2.057 ( -0.380 0.000 -2.099) 2.133 2.143 ( -0.386 0.000 1.014) 1.085 2.191 ( -0.675 0.000 -1.145) 1.329 2.235 ( 0.742 -0.000 -6.694) 6.735 2.290 ( 1.215 -0.000 -8.486) 8.572 2.387 ( 1.646 -0.000 0.470) 1.711 2.428 ( 2.788 -0.000 -0.714) 2.878 2.584 ( 0.582 -0.000 2.163) 2.240 2.587 ( 0.550 -0.000 0.252) 0.605 2.697 ( -0.759 0.000 0.594) 0.964 2.735 ( 0.226 -0.000 -1.825) 1.839 2.828 ( 3.141 -0.000 1.885) 3.663 2.858 ( 3.697 -0.000 -1.250) 3.902 2.900 ( 3.453 -0.000 1.082) 3.619 2.925 ( 3.186 -0.000 -1.280) 3.434 3.139 ( -1.667 0.000 4.217) 4.534 3.151 ( -1.678 0.000 0.913) 1.911 3.212 ( -1.127 0.000 0.565) 1.260 3.239 ( 0.253 -0.000 -0.394) 0.469 3.401 ( -9.282 0.000 0.705) 9.309 3.416 ( -9.054 0.000 -0.653) 9.077 3.461 ( -6.980 0.000 0.828) 7.029 3.478 ( -7.132 0.000 -0.785) 7.175 4.375 ( 0.196 -0.000 0.357) 0.407 4.380 ( -0.119 0.000 -0.108) 0.161 4.505 ( -1.788 0.000 0.074) 1.789 4.508 ( -1.931 0.000 -0.088) 1.933 4.654 ( -0.997 0.000 0.536) 1.132 4.667 ( -1.407 0.000 -0.547) 1.510 4.705 ( -1.227 0.000 -0.359) 1.278 4.714 ( 0.112 -0.000 -1.141) 1.147 4.771 ( -0.104 0.000 0.779) 0.786 4.776 ( 1.098 -0.000 0.268) 1.130 4.997 ( 0.397 -0.000 0.422) 0.579 5.017 ( 0.415 -0.000 -1.302) 1.366 5.159 ( -1.189 0.000 1.417) 1.849 5.187 ( -2.267 0.000 -1.182) 2.556 5.231 ( -1.989 0.000 0.420) 2.032 5.249 ( -1.615 0.000 -1.483) 2.193 5.274 ( -0.505 0.000 1.504) 1.587 5.299 ( -0.516 0.000 -0.879) 1.020 5.332 ( -1.347 0.000 1.864) 2.300 5.359 ( -0.890 0.000 -0.909) 1.272 5.573 ( -0.605 0.000 0.057) 0.608 5.576 ( 0.477 -0.000 -0.178) 0.510 5.802 ( -10.991 0.000 0.308) 10.996 5.809 ( -9.416 0.000 -0.259) 9.420 5.876 ( -4.230 0.000 2.028) 4.691 5.931 ( -1.600 0.000 -3.219) 3.595 6.027 ( -0.595 0.000 0.974) 1.141 6.033 ( -0.953 0.000 0.129) 0.962 6.581 ( 9.454 -0.000 0.440) 9.464 6.590 ( 9.376 -0.000 -0.456) 9.387 ======================= Grid point 233 (88/98) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -4.076 -0.015 6.696) 7.839 0.878 ( -3.402 0.124 -5.531) 6.494 1.293 ( -5.780 -0.996 4.039) 7.121 1.379 ( -4.087 -1.504 -3.047) 5.315 1.478 ( -6.198 -1.069 -1.928) 6.578 1.511 ( -4.547 -1.484 -3.571) 5.970 1.617 ( -5.107 2.027 7.973) 9.683 1.684 ( -2.620 -1.047 5.778) 6.430 1.694 ( -4.816 -0.763 3.964) 6.284 1.758 ( -2.644 -0.922 0.005) 2.800 1.865 ( -1.810 1.307 0.323) 2.256 1.935 ( -0.301 -2.882 -3.548) 4.581 1.972 ( -4.557 0.507 0.061) 4.585 2.030 ( -2.301 0.267 -2.755) 3.600 2.150 ( 1.306 0.192 1.799) 2.231 2.197 ( 0.942 -0.239 -0.471) 1.080 2.246 ( 0.343 -0.852 -4.378) 4.474 2.308 ( 0.831 1.430 -9.347) 9.493 2.413 ( 0.777 0.247 3.676) 3.765 2.471 ( -0.358 -2.019 0.003) 2.051 2.535 ( -4.958 0.987 -0.375) 5.069 2.571 ( -2.111 -1.238 -0.434) 2.485 2.675 ( -1.211 0.137 -0.309) 1.258 2.731 ( -1.028 0.360 -2.968) 3.161 2.870 ( 0.239 0.270 3.470) 3.488 2.923 ( 1.818 0.586 -1.617) 2.503 2.972 ( 2.994 0.136 0.397) 3.023 2.979 ( 1.823 0.105 -0.200) 1.837 3.102 ( -2.710 0.936 1.320) 3.156 3.106 ( -1.285 0.368 3.004) 3.288 3.157 ( -4.533 1.656 2.145) 5.282 3.203 ( -8.814 0.054 0.985) 8.869 3.208 ( -7.671 -0.781 0.168) 7.713 3.232 ( -5.935 -0.493 -2.532) 6.471 3.328 ( -7.377 0.867 -0.064) 7.428 3.332 ( -5.562 0.718 0.161) 5.611 4.367 ( -1.351 -0.061 0.100) 1.356 4.368 ( -1.445 -0.217 0.009) 1.461 4.458 ( -2.980 0.277 0.307) 3.009 4.464 ( -2.279 0.190 -0.319) 2.310 4.613 ( -2.866 1.485 -0.068) 3.228 4.621 ( -2.987 0.380 -0.870) 3.135 4.670 ( -2.213 -0.686 0.970) 2.512 4.679 ( -2.805 -0.445 0.132) 2.843 4.781 ( 0.152 0.572 0.462) 0.750 4.788 ( -0.557 0.724 -0.224) 0.941 5.026 ( 1.973 -0.401 -0.087) 2.015 5.045 ( 2.032 -0.571 -1.743) 2.738 5.159 ( 0.027 -0.080 0.544) 0.550 5.166 ( 0.936 -0.866 -0.068) 1.277 5.200 ( -0.684 -0.672 1.490) 1.772 5.227 ( -0.396 -0.236 -1.238) 1.321 5.286 ( 1.840 -0.670 1.111) 2.251 5.298 ( -0.831 0.722 1.162) 1.601 5.312 ( 0.740 -1.491 -0.273) 1.687 5.336 ( -1.305 -0.126 -1.448) 1.953 5.559 ( -1.032 -0.069 1.121) 1.526 5.587 ( 0.598 -0.020 -1.640) 1.746 5.609 ( -7.892 -0.042 0.164) 7.894 5.617 ( -8.265 -0.063 -0.544) 8.283 5.843 ( -1.381 -0.372 3.257) 3.557 5.912 ( -1.246 -0.143 -3.277) 3.508 6.008 ( -1.576 0.003 0.926) 1.828 6.022 ( -0.082 -0.455 -0.237) 0.519 6.734 ( 6.569 -0.082 0.369) 6.580 6.742 ( 6.479 -0.060 -0.377) 6.490 ======================= Grid point 234 (89/98) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -4.618 -0.104 7.659) 8.945 0.807 ( -3.717 0.284 -5.948) 7.020 1.194 ( -4.293 4.986 3.119) 7.282 1.299 ( -5.772 1.584 -6.701) 8.985 1.398 ( -2.871 -6.211 0.641) 6.873 1.449 ( -3.224 -5.422 -3.494) 7.211 1.509 ( -4.202 6.111 8.655) 11.397 1.598 ( -4.461 2.636 2.100) 5.591 1.662 ( -1.195 -2.497 5.506) 6.163 1.698 ( -4.326 -2.982 0.354) 5.266 1.803 ( -4.881 0.947 3.028) 5.821 1.847 ( -7.286 -0.807 -1.683) 7.521 1.935 ( -1.924 -0.707 -3.637) 4.174 2.002 ( -1.106 -5.204 -4.557) 7.006 2.179 ( 1.091 0.492 2.009) 2.338 2.202 ( -1.877 1.116 2.096) 3.027 2.247 ( -1.279 1.531 -1.458) 2.472 2.282 ( -2.973 -0.736 -5.184) 6.021 2.357 ( -7.488 0.887 1.279) 7.648 2.425 ( -2.967 -3.228 2.132) 4.875 2.450 ( -1.712 0.546 -4.698) 5.030 2.540 ( -2.511 -1.158 -0.319) 2.784 2.660 ( -0.352 0.815 -2.418) 2.575 2.686 ( -3.192 1.143 -2.581) 4.261 2.806 ( -5.994 1.624 2.068) 6.546 2.849 ( -7.577 2.675 -1.569) 8.187 2.916 ( -8.724 4.861 0.809) 10.020 2.924 ( -7.531 4.244 -0.142) 8.646 3.029 ( -3.458 2.524 4.867) 6.482 3.053 ( -0.099 1.004 1.392) 1.719 3.097 ( -0.142 -0.894 0.715) 1.153 3.123 ( -2.113 -2.658 -0.148) 3.399 3.141 ( -2.262 -3.413 0.938) 4.201 3.170 ( -2.843 -1.087 -2.097) 3.696 3.235 ( -1.095 -0.019 0.338) 1.146 3.249 ( -2.083 -0.770 -0.388) 2.254 4.317 ( -3.852 0.312 0.158) 3.868 4.320 ( -3.717 0.041 -0.116) 3.719 4.386 ( -4.583 1.073 1.006) 4.813 4.407 ( -4.031 0.761 -0.922) 4.205 4.555 ( -2.316 -0.072 0.147) 2.322 4.575 ( -1.565 -1.096 -1.659) 2.531 4.622 ( -2.710 -0.265 1.562) 3.139 4.635 ( -1.884 -0.816 0.344) 2.081 4.747 ( -2.584 0.772 0.969) 2.866 4.766 ( -0.940 0.761 -0.637) 1.367 5.055 ( 0.946 0.041 -0.189) 0.966 5.080 ( 1.125 -0.343 -2.462) 2.728 5.167 ( -0.370 -0.593 1.456) 1.615 5.177 ( 1.005 -0.672 0.798) 1.449 5.229 ( 0.163 0.187 2.460) 2.472 5.257 ( 4.264 -0.640 -0.085) 4.312 5.294 ( 1.893 0.118 -0.364) 1.931 5.325 ( 0.910 -0.329 -2.309) 2.503 5.354 ( 4.326 -0.941 1.043) 4.549 5.371 ( 3.910 -0.912 -0.632) 4.064 5.510 ( -2.600 0.149 -0.003) 2.604 5.515 ( -2.628 -0.185 -0.404) 2.666 5.537 ( -1.524 -0.325 1.935) 2.484 5.594 ( -0.113 -0.164 -3.638) 3.644 5.814 ( -1.906 -0.472 3.692) 4.182 5.880 ( -1.926 -0.053 -2.718) 3.331 5.981 ( -1.065 -0.457 2.735) 2.970 6.032 ( 0.790 -0.957 -2.022) 2.372 6.833 ( 3.782 -0.206 0.277) 3.797 6.839 ( 3.673 -0.155 -0.277) 3.686 ======================= Grid point 235 (90/98) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -3.379 -0.290 8.835) 9.464 0.742 ( -2.726 0.612 -6.158) 6.762 1.072 ( -3.626 11.039 1.838) 11.764 1.165 ( -5.346 5.501 -6.080) 9.788 1.360 ( -5.561 12.050 9.331) 16.223 1.410 ( -1.981 -7.458 -0.597) 7.739 1.433 ( -7.007 -3.662 -0.960) 7.964 1.489 ( -0.636 1.674 -2.589) 3.148 1.619 ( -5.751 -0.218 3.059) 6.517 1.650 ( -1.039 -0.471 2.538) 2.782 1.706 ( -4.255 -4.369 1.445) 6.268 1.765 ( -1.073 -0.769 -3.027) 3.303 1.880 ( -5.338 -2.237 0.006) 5.788 1.967 ( -8.456 -3.716 -4.537) 10.290 2.066 ( -6.969 1.246 5.400) 8.904 2.123 ( -5.301 -1.161 0.923) 5.504 2.187 ( -3.856 3.572 -0.100) 5.257 2.251 ( -1.808 1.364 -6.793) 7.161 2.284 ( 1.237 0.372 3.684) 3.903 2.406 ( -0.572 -0.547 -4.145) 4.220 2.432 ( -0.981 1.189 1.689) 2.286 2.476 ( -3.858 -0.100 0.227) 3.866 2.544 ( -7.843 7.013 1.051) 10.574 2.621 ( -7.319 5.234 -5.155) 10.370 2.670 ( -4.151 0.742 -0.109) 4.218 2.708 ( -5.650 2.442 -0.113) 6.157 2.735 ( -4.317 1.576 -0.639) 4.640 2.778 ( -4.395 3.353 -2.902) 6.243 2.934 ( -4.885 3.628 5.918) 8.488 3.027 ( -3.943 0.235 -1.695) 4.298 3.074 ( -2.634 -3.417 0.220) 4.320 3.091 ( -3.075 -5.789 0.320) 6.562 3.128 ( 0.931 -2.462 2.106) 3.371 3.141 ( -1.730 -2.059 0.568) 2.748 3.237 ( 1.421 -2.821 2.233) 3.868 3.296 ( 3.061 -1.205 -3.012) 4.460 4.222 ( -5.408 1.187 0.335) 5.546 4.228 ( -5.290 1.158 -0.255) 5.421 4.269 ( -6.886 0.780 1.265) 7.044 4.297 ( -7.166 -0.455 -1.362) 7.309 4.519 ( -2.160 -1.147 1.269) 2.755 4.553 ( -1.583 -0.918 -1.077) 2.123 4.593 ( -0.617 -1.263 1.923) 2.382 4.646 ( 2.681 -0.610 -2.959) 4.039 4.705 ( -1.135 0.563 2.466) 2.772 4.748 ( -0.375 0.769 -1.324) 1.576 5.071 ( 0.888 -0.058 0.087) 0.894 5.097 ( 0.836 -0.071 -2.136) 2.295 5.163 ( -0.336 -1.328 2.216) 2.605 5.196 ( 0.007 -1.416 -0.015) 1.416 5.237 ( 1.898 0.910 4.639) 5.094 5.327 ( 2.616 0.725 -3.114) 4.131 5.346 ( 2.549 0.191 0.172) 2.562 5.369 ( 2.831 0.195 -1.711) 3.313 5.433 ( 2.480 -0.074 0.874) 2.630 5.440 ( 2.310 0.397 0.094) 2.346 5.492 ( 0.411 0.019 0.731) 0.839 5.508 ( 0.033 -0.690 1.557) 1.704 5.513 ( 0.210 -0.219 -0.533) 0.614 5.587 ( -0.121 0.142 -5.155) 5.159 5.780 ( -1.456 0.256 3.819) 4.096 5.854 ( -0.272 0.672 -3.200) 3.281 5.985 ( 1.187 -1.052 4.779) 5.036 6.063 ( 1.748 -1.609 -2.724) 3.615 6.884 ( 1.541 -0.324 0.170) 1.583 6.887 ( 1.454 -0.218 -0.164) 1.479 ======================= Grid point 236 (91/98) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -0.856 -1.091 9.392) 9.494 0.701 ( -1.105 0.829 -5.424) 5.597 0.956 ( -1.203 13.389 2.713) 13.714 1.054 ( -2.363 8.126 -4.538) 9.603 1.151 ( -7.880 11.441 2.966) 14.205 1.229 ( -9.552 5.594 -2.957) 11.457 1.434 ( 0.909 1.809 5.316) 5.688 1.508 ( 0.384 -1.154 -0.853) 1.485 1.572 ( -0.089 -3.579 0.184) 3.585 1.613 ( -3.415 0.696 -3.211) 4.738 1.662 ( -0.960 -1.939 3.842) 4.409 1.740 ( -6.153 3.786 0.351) 7.233 1.766 ( -4.759 -2.239 -0.170) 5.262 1.799 ( -5.301 2.692 0.679) 5.984 1.963 ( -3.609 2.962 2.856) 5.473 2.046 ( -3.830 0.049 -0.868) 3.928 2.073 ( -4.502 0.556 0.805) 4.607 2.191 ( -2.172 9.076 -10.945) 14.384 2.311 ( 1.257 1.364 4.946) 5.282 2.369 ( -3.537 2.308 0.935) 4.325 2.385 ( -0.733 1.710 -0.717) 1.994 2.410 ( -2.279 3.833 -3.339) 5.571 2.435 ( -0.461 -0.628 1.888) 2.043 2.485 ( -3.524 0.750 -0.808) 3.692 2.553 ( -4.806 3.808 3.584) 7.102 2.622 ( -2.609 1.547 0.221) 3.041 2.696 ( -2.382 -0.396 -5.225) 5.756 2.733 ( 0.074 -0.448 -5.142) 5.162 2.829 ( -3.536 2.174 7.039) 8.172 2.949 ( -3.027 -0.083 -4.417) 5.356 3.051 ( -2.380 -7.912 1.987) 8.498 3.087 ( -1.393 -7.458 -1.305) 7.699 3.137 ( 0.547 -0.717 4.252) 4.346 3.169 ( 1.556 -1.462 1.247) 2.473 3.285 ( 1.221 -4.177 1.956) 4.772 3.349 ( 1.704 -1.478 -3.623) 4.267 4.116 ( -4.533 1.524 0.345) 4.795 4.123 ( -4.729 1.426 -0.237) 4.945 4.136 ( -5.618 0.854 0.711) 5.727 4.154 ( -7.148 -0.171 -0.988) 7.218 4.489 ( -1.434 -1.143 2.009) 2.721 4.533 ( -0.897 -0.965 -1.826) 2.252 4.602 ( 0.423 -0.868 3.554) 3.683 4.680 ( 0.080 0.187 0.611) 0.644 4.712 ( 1.357 1.283 -2.299) 2.962 4.754 ( 1.607 -0.376 -3.205) 3.605 5.092 ( 1.053 -0.555 0.132) 1.198 5.116 ( 0.869 -0.418 -1.726) 1.977 5.172 ( 0.322 -1.935 2.512) 3.187 5.208 ( 0.559 -2.087 0.580) 2.237 5.281 ( 3.045 0.938 4.350) 5.392 5.349 ( 0.113 0.270 -1.858) 1.881 5.374 ( 0.589 0.008 1.135) 1.278 5.408 ( 1.265 0.349 -1.512) 2.002 5.438 ( -1.370 0.459 1.366) 1.988 5.455 ( 0.138 0.647 0.064) 0.664 5.469 ( -2.341 -0.421 0.477) 2.426 5.514 ( 0.473 0.582 -1.252) 1.459 5.548 ( 1.931 0.170 -0.470) 1.995 5.608 ( 2.263 2.272 -4.600) 5.608 5.761 ( -0.188 1.360 4.399) 4.608 5.860 ( 1.196 2.094 -4.589) 5.184 6.028 ( 2.094 -1.344 5.979) 6.476 6.111 ( 1.915 -2.322 -2.287) 3.780 6.900 ( 0.134 -0.238 0.104) 0.292 6.902 ( 0.154 -0.122 -0.104) 0.222 ======================= Grid point 237 (92/98) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 0.000 -2.135 8.996) 9.246 0.687 ( -0.000 1.007 -3.730) 3.863 0.887 ( -0.000 11.900 5.870) 13.269 0.959 ( -0.000 14.787 3.122) 15.113 1.025 ( -0.000 8.571 -7.122) 11.144 1.076 ( -0.000 7.998 -6.315) 10.190 1.428 ( -0.000 3.925 5.155) 6.479 1.525 ( -0.000 6.142 4.325) 7.512 1.525 ( -0.000 1.520 -4.243) 4.507 1.598 ( -0.000 6.841 1.883) 7.096 1.655 ( -0.000 6.293 5.454) 8.328 1.683 ( 0.000 -0.050 0.913) 0.914 1.687 ( 0.000 -1.880 3.268) 3.770 1.693 ( 0.000 -0.333 -0.111) 0.352 1.938 ( 0.000 -1.830 -4.375) 4.742 2.023 ( 0.000 -0.984 0.096) 0.988 2.027 ( 0.000 -1.743 -0.208) 1.756 2.081 ( -0.000 15.422 -14.335) 21.055 2.328 ( -0.000 2.526 5.211) 5.791 2.334 ( 0.000 -1.271 0.730) 1.465 2.350 ( 0.000 -0.931 -0.711) 1.171 2.399 ( -0.000 4.125 -1.092) 4.267 2.446 ( 0.000 -0.167 0.204) 0.264 2.450 ( 0.000 -0.650 -0.183) 0.675 2.467 ( -0.000 4.791 4.540) 6.600 2.592 ( -0.000 0.666 -2.317) 2.411 2.664 ( -0.000 1.406 -0.737) 1.587 2.740 ( 0.000 -0.253 -3.963) 3.971 2.797 ( 0.000 -1.520 5.671) 5.871 2.924 ( 0.000 -0.268 -5.252) 5.259 3.073 ( 0.000 -8.162 2.400) 8.508 3.117 ( 0.000 -7.340 -1.142) 7.428 3.149 ( 0.000 -1.461 4.108) 4.360 3.192 ( 0.000 -0.759 0.280) 0.809 3.322 ( 0.000 -4.648 1.600) 4.916 3.376 ( 0.000 -2.306 -3.137) 3.894 4.051 ( -0.000 1.409 0.043) 1.410 4.053 ( -0.000 1.531 -0.152) 1.538 4.074 ( -0.000 1.627 0.533) 1.712 4.084 ( -0.000 1.575 -0.423) 1.631 4.481 ( 0.000 -1.310 2.363) 2.702 4.530 ( 0.000 -1.145 -1.947) 2.259 4.610 ( 0.000 -0.645 3.623) 3.680 4.678 ( -0.000 0.298 1.393) 1.425 4.712 ( -0.000 1.836 -1.171) 2.178 4.782 ( 0.000 -0.842 -6.500) 6.554 5.109 ( 0.000 -0.930 -0.086) 0.934 5.128 ( 0.000 -0.662 -1.497) 1.637 5.189 ( 0.000 -2.232 2.599) 3.426 5.231 ( 0.000 -2.349 -0.592) 2.422 5.341 ( 0.000 -0.464 0.253) 0.529 5.347 ( 0.000 -0.409 -0.265) 0.488 5.359 ( 0.000 -1.269 8.682) 8.774 5.399 ( -0.000 1.492 0.688) 1.643 5.417 ( -0.000 0.693 -1.746) 1.878 5.447 ( -0.000 0.668 0.124) 0.679 5.450 ( -0.000 0.717 -0.112) 0.726 5.514 ( -0.000 1.228 -2.587) 2.864 5.565 ( -0.000 0.840 -0.780) 1.146 5.616 ( -0.000 3.519 -3.729) 5.127 5.752 ( -0.000 1.738 4.051) 4.408 5.860 ( -0.000 3.020 -5.268) 6.073 6.060 ( 0.000 -1.995 6.862) 7.146 6.147 ( 0.000 -3.078 -1.912) 3.624 6.899 ( 0.000 -0.007 0.119) 0.119 6.902 ( -0.000 0.031 -0.119) 0.123 ======================= Grid point 246 (93/98) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -4.625 0.000 7.784) 9.054 0.809 ( -3.678 0.000 -6.026) 7.060 1.234 ( -0.702 0.000 1.897) 2.023 1.309 ( -3.026 0.000 -4.814) 5.686 1.352 ( -6.058 0.000 0.198) 6.061 1.414 ( -4.896 0.000 -4.791) 6.851 1.565 ( -1.133 0.000 8.833) 8.905 1.615 ( -2.386 0.000 3.182) 3.977 1.626 ( -3.387 0.000 8.478) 9.129 1.678 ( -5.492 0.000 0.940) 5.572 1.827 ( -2.927 0.000 -1.817) 3.445 1.834 ( -9.490 0.000 1.738) 9.648 1.931 ( 0.073 -0.000 -6.598) 6.599 1.970 ( -3.736 0.000 -4.459) 5.818 2.182 ( 1.190 -0.000 2.026) 2.350 2.208 ( -1.190 0.000 1.611) 2.003 2.254 ( 0.702 -0.000 -0.993) 1.216 2.280 ( -5.172 0.000 -4.347) 6.756 2.363 ( -8.842 0.000 -0.168) 8.844 2.405 ( -1.451 0.000 2.899) 3.242 2.453 ( -1.496 0.000 -4.586) 4.824 2.534 ( -2.195 0.000 -0.499) 2.251 2.663 ( 0.008 -0.000 -2.379) 2.379 2.692 ( -2.955 0.000 -2.404) 3.809 2.815 ( -5.716 0.000 2.626) 6.290 2.864 ( -7.421 0.000 -1.404) 7.553 2.945 ( -7.054 0.000 0.445) 7.068 2.950 ( -6.815 0.000 -0.179) 6.818 3.052 ( -3.801 0.000 2.814) 4.729 3.057 ( -2.960 0.000 3.310) 4.441 3.087 ( -0.365 0.000 1.127) 1.185 3.104 ( -1.067 0.000 1.626) 1.945 3.117 ( -2.863 0.000 -0.343) 2.884 3.166 ( -2.825 0.000 -3.036) 4.146 3.236 ( -0.226 0.000 -0.049) 0.231 3.244 ( -3.932 0.000 -0.030) 3.932 4.319 ( -3.730 0.000 0.067) 3.731 4.320 ( -3.546 0.000 -0.056) 3.546 4.392 ( -4.505 0.000 0.992) 4.613 4.411 ( -4.114 0.000 -0.784) 4.188 4.555 ( -2.988 0.000 -0.275) 3.000 4.569 ( -1.717 0.000 -1.463) 2.256 4.620 ( -3.039 0.000 1.581) 3.426 4.630 ( -1.495 0.000 0.565) 1.598 4.752 ( -2.785 0.000 0.956) 2.945 4.770 ( -1.054 0.000 -0.650) 1.239 5.056 ( 1.008 -0.000 -0.438) 1.099 5.078 ( 1.333 -0.000 -2.459) 2.797 5.164 ( -0.658 0.000 1.654) 1.780 5.173 ( 1.309 -0.000 0.941) 1.612 5.230 ( -0.069 0.000 2.525) 2.526 5.254 ( 4.959 -0.000 -0.223) 4.964 5.294 ( 1.989 -0.000 -0.493) 2.049 5.323 ( 0.972 -0.000 -2.341) 2.535 5.349 ( 4.625 -0.000 1.121) 4.759 5.366 ( 4.197 -0.000 -0.613) 4.242 5.511 ( -2.506 0.000 -0.070) 2.507 5.513 ( -2.787 0.000 -0.292) 2.803 5.536 ( -1.497 0.000 1.874) 2.399 5.593 ( -0.153 0.000 -3.756) 3.759 5.811 ( -1.773 0.000 3.906) 4.289 5.880 ( -1.833 0.000 -2.729) 3.288 5.979 ( -1.169 0.000 2.528) 2.785 6.027 ( 0.752 -0.000 -1.926) 2.068 6.831 ( 3.770 -0.000 0.289) 3.781 6.838 ( 3.666 -0.000 -0.289) 3.678 ======================= Grid point 248 (94/98) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -3.463 -0.071 9.273) 9.899 0.747 ( -2.613 0.258 -6.372) 6.891 1.189 ( -2.585 10.034 -0.005) 10.362 1.227 ( -2.839 5.277 -2.630) 6.544 1.322 ( -0.663 -8.150 -1.753) 8.363 1.356 ( -2.826 -6.885 -3.952) 8.427 1.482 ( -6.112 9.725 6.665) 13.280 1.538 ( -6.003 4.305 0.147) 7.389 1.590 ( -2.219 -3.510 5.095) 6.573 1.632 ( 0.269 -6.486 5.074) 8.240 1.670 ( -4.576 0.497 5.300) 7.020 1.767 ( -2.388 0.703 -4.166) 4.853 1.877 ( -4.966 1.723 -4.748) 7.084 1.916 ( -5.632 -4.827 -6.436) 9.820 2.075 ( -8.480 0.386 5.096) 9.901 2.114 ( -6.850 -0.362 1.725) 7.073 2.216 ( -2.635 1.439 -0.847) 3.119 2.260 ( -0.830 0.327 -5.205) 5.281 2.286 ( 2.135 0.027 4.308) 4.808 2.398 ( 0.221 -0.515 0.167) 0.585 2.446 ( 0.116 0.897 -3.497) 3.612 2.475 ( -3.595 -0.153 1.338) 3.839 2.605 ( -6.456 3.590 -0.044) 7.388 2.663 ( -5.967 2.178 -5.226) 8.226 2.669 ( -3.645 -0.705 -0.512) 3.747 2.706 ( -7.092 -0.548 -1.947) 7.375 2.784 ( -6.686 4.638 1.012) 8.200 2.810 ( -5.546 1.855 -1.760) 6.107 2.960 ( -6.499 -0.086 4.905) 8.143 2.999 ( -4.888 -1.933 1.749) 5.540 3.040 ( -3.534 -2.601 -0.301) 4.398 3.058 ( -3.143 -1.026 -0.895) 3.425 3.111 ( -0.781 -0.092 0.639) 1.013 3.127 ( 0.775 -1.072 0.290) 1.355 3.214 ( 0.562 -1.222 3.514) 3.763 3.288 ( 3.347 -0.311 -3.398) 4.780 4.230 ( -5.196 0.371 0.287) 5.217 4.236 ( -4.971 0.334 -0.259) 4.989 4.276 ( -7.260 0.372 0.971) 7.334 4.295 ( -7.621 -0.039 -0.807) 7.663 4.511 ( -2.078 -0.432 1.089) 2.385 4.545 ( -1.432 -0.371 -1.796) 2.328 4.584 ( -0.468 -0.465 2.733) 2.811 4.641 ( 2.752 -0.241 -2.788) 3.924 4.710 ( -1.207 0.201 2.525) 2.806 4.754 ( -0.431 0.301 -1.463) 1.555 5.070 ( 0.718 -0.044 -0.065) 0.722 5.096 ( 0.773 -0.052 -2.370) 2.494 5.153 ( -0.438 -0.477 2.495) 2.578 5.185 ( -0.240 -0.538 0.231) 0.633 5.244 ( 2.093 0.330 4.576) 5.043 5.332 ( 2.786 0.294 -2.949) 4.067 5.348 ( 2.481 0.152 -0.091) 2.488 5.370 ( 3.011 0.076 -1.908) 3.565 5.432 ( 3.006 -0.055 1.175) 3.228 5.443 ( 2.700 0.188 -0.018) 2.706 5.493 ( -0.265 0.082 0.249) 0.373 5.501 ( 1.154 -0.479 1.080) 1.652 5.513 ( -0.469 0.003 0.296) 0.554 5.588 ( 0.447 0.028 -5.276) 5.295 5.783 ( -0.989 0.117 4.115) 4.234 5.859 ( 0.123 0.236 -3.205) 3.216 5.978 ( 1.164 -0.340 4.421) 4.584 6.051 ( 1.677 -0.557 -2.608) 3.150 6.881 ( 1.562 -0.107 0.203) 1.579 6.886 ( 1.481 -0.074 -0.198) 1.496 ======================= Grid point 249 (95/98) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -1.214 -0.460 10.266) 10.348 0.709 ( -1.068 0.597 -6.141) 6.261 1.078 ( -3.407 8.508 2.281) 9.444 1.146 ( -1.431 8.588 -3.482) 9.377 1.258 ( -6.381 8.452 0.524) 10.603 1.278 ( -6.410 3.203 -1.087) 7.247 1.412 ( 1.991 -5.529 1.808) 6.148 1.487 ( 0.606 -4.577 -3.519) 5.805 1.541 ( -2.006 1.403 3.945) 4.643 1.618 ( -4.820 -1.114 -1.990) 5.333 1.657 ( 0.784 0.567 6.500) 6.572 1.735 ( -3.852 -1.051 0.767) 4.066 1.760 ( -5.967 -0.347 -2.764) 6.586 1.819 ( -0.291 0.670 -4.824) 4.879 1.979 ( -1.582 -0.166 5.002) 5.249 2.030 ( -3.510 -1.855 -0.341) 3.985 2.123 ( -4.989 6.427 3.185) 8.737 2.256 ( 1.540 2.939 -6.693) 7.470 2.323 ( 0.883 0.869 6.005) 6.132 2.400 ( -1.168 2.271 0.288) 2.570 2.410 ( -1.149 2.128 0.153) 2.423 2.439 ( -3.610 2.242 -1.066) 4.381 2.451 ( -2.528 3.195 -2.150) 4.606 2.486 ( -5.602 0.179 0.022) 5.605 2.593 ( -4.867 2.304 -0.108) 5.386 2.639 ( -3.429 0.953 -2.127) 4.146 2.682 ( -1.911 0.510 -2.002) 2.814 2.740 ( -1.264 0.705 -5.320) 5.514 2.846 ( -5.023 -0.542 4.637) 6.858 2.918 ( -4.185 -4.510 -1.114) 6.253 2.995 ( -2.711 -2.322 -0.249) 3.578 3.011 ( -2.159 -5.366 -2.363) 6.249 3.125 ( 1.102 -1.734 4.181) 4.659 3.161 ( 1.820 0.119 1.932) 2.657 3.245 ( 0.969 -2.991 3.781) 4.917 3.340 ( 1.836 -0.338 -4.598) 4.962 4.130 ( -4.913 1.027 0.332) 5.031 4.135 ( -5.257 0.734 0.015) 5.308 4.144 ( -5.024 0.624 0.210) 5.067 4.153 ( -5.942 -0.161 -0.514) 5.966 4.480 ( -1.305 -0.593 1.800) 2.301 4.525 ( -0.825 -0.545 -2.346) 2.546 4.595 ( 0.780 -0.415 4.370) 4.458 4.681 ( 0.224 0.017 0.504) 0.551 4.723 ( 2.508 0.771 -3.221) 4.155 4.752 ( 0.653 0.064 -2.024) 2.128 5.086 ( 0.739 -0.453 0.181) 0.885 5.111 ( 0.589 -0.402 -1.859) 1.991 5.155 ( 0.156 -1.155 2.597) 2.847 5.190 ( 0.426 -1.229 0.479) 1.387 5.289 ( 2.644 0.518 4.425) 5.181 5.351 ( -0.396 0.147 -1.467) 1.526 5.373 ( 0.123 -0.128 1.270) 1.282 5.410 ( 1.291 0.163 -1.586) 2.051 5.443 ( -1.665 0.456 0.941) 1.966 5.460 ( 0.003 0.282 -0.079) 0.293 5.465 ( -1.292 -0.137 0.450) 1.375 5.518 ( 0.784 0.207 -3.270) 3.369 5.551 ( 2.598 0.266 1.314) 2.924 5.625 ( 2.722 1.078 -4.963) 5.763 5.774 ( 0.157 0.916 4.968) 5.054 5.878 ( 1.631 1.160 -4.669) 5.080 6.018 ( 2.198 -0.569 5.267) 5.735 6.092 ( 1.881 -1.159 -2.048) 3.013 6.898 ( 0.268 -0.108 0.145) 0.324 6.901 ( 0.249 -0.058 -0.142) 0.293 ======================= Grid point 250 (96/98) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 -1.181 10.203) 10.271 0.697 ( -0.000 0.780 -5.418) 5.474 0.993 ( -0.000 7.666 4.642) 8.962 1.103 ( -0.000 5.707 -5.622) 8.011 1.120 ( -0.000 14.893 1.490) 14.967 1.172 ( -0.000 9.668 -2.182) 9.911 1.467 ( -0.000 3.215 3.934) 5.081 1.506 ( 0.000 -8.026 -0.443) 8.038 1.539 ( -0.000 1.060 -2.930) 3.116 1.561 ( 0.000 -6.664 -3.917) 7.730 1.661 ( -0.000 0.910 7.498) 7.553 1.684 ( -0.000 0.316 0.521) 0.609 1.694 ( -0.000 0.442 -0.339) 0.557 1.815 ( -0.000 8.055 -3.896) 8.948 1.971 ( -0.000 10.558 9.184) 13.993 2.004 ( 0.000 -2.107 0.257) 2.123 2.010 ( 0.000 -1.633 -0.282) 1.657 2.247 ( -0.000 14.676 -13.451) 19.908 2.323 ( 0.000 -0.840 0.930) 1.253 2.343 ( 0.000 -0.442 -0.896) 0.999 2.347 ( -0.000 0.459 6.973) 6.988 2.441 ( -0.000 3.427 -0.630) 3.484 2.445 ( 0.000 -0.384 0.002) 0.384 2.445 ( 0.000 -0.095 0.005) 0.095 2.517 ( -0.000 4.068 2.452) 4.750 2.592 ( 0.000 -0.102 -0.506) 0.516 2.668 ( 0.000 -1.104 -3.933) 4.085 2.731 ( 0.000 -0.318 -6.123) 6.131 2.797 ( -0.000 0.386 6.251) 6.262 2.905 ( 0.000 -4.375 -3.597) 5.664 2.988 ( 0.000 -5.451 1.329) 5.611 3.028 ( 0.000 -7.908 -2.978) 8.450 3.146 ( 0.000 -0.843 5.001) 5.072 3.182 ( 0.000 -0.482 2.328) 2.378 3.274 ( 0.000 -3.993 2.749) 4.848 3.361 ( 0.000 -0.677 -4.593) 4.642 4.064 ( -0.000 0.978 0.092) 0.983 4.067 ( -0.000 1.064 -0.218) 1.086 4.090 ( -0.000 1.178 0.525) 1.290 4.099 ( -0.000 1.152 -0.397) 1.218 4.470 ( 0.000 -0.745 2.106) 2.234 4.520 ( 0.000 -0.685 -2.496) 2.588 4.605 ( 0.000 -0.278 4.721) 4.730 4.681 ( -0.000 0.135 1.817) 1.822 4.733 ( -0.000 1.999 -2.237) 3.000 4.773 ( 0.000 -0.669 -5.775) 5.814 5.098 ( 0.000 -0.903 0.135) 0.913 5.120 ( 0.000 -0.743 -1.561) 1.729 5.166 ( 0.000 -1.794 2.642) 3.194 5.207 ( 0.000 -1.924 -0.332) 1.952 5.337 ( 0.000 -0.315 0.277) 0.419 5.343 ( 0.000 -0.273 -0.291) 0.399 5.350 ( 0.000 -0.610 8.172) 8.195 5.413 ( -0.000 1.060 0.423) 1.141 5.423 ( -0.000 0.328 -1.400) 1.438 5.453 ( -0.000 0.447 0.146) 0.470 5.456 ( -0.000 0.481 -0.132) 0.499 5.526 ( -0.000 0.839 -4.900) 4.971 5.574 ( -0.000 0.780 1.020) 1.284 5.646 ( -0.000 2.015 -4.746) 5.156 5.770 ( -0.000 1.485 5.235) 5.441 5.887 ( -0.000 2.039 -5.461) 5.830 6.046 ( 0.000 -0.811 5.778) 5.835 6.121 ( 0.000 -1.754 -1.651) 2.409 6.899 ( 0.000 -0.004 0.135) 0.135 6.902 ( -0.000 0.021 -0.135) 0.137 ======================= Grid point 261 (97/98) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -1.325 0.000 10.573) 10.656 0.713 ( -1.064 0.000 -6.381) 6.469 1.126 ( -5.586 0.000 3.140) 6.408 1.205 ( -4.360 0.000 -4.116) 5.996 1.294 ( 0.624 -0.000 0.091) 0.631 1.328 ( 1.619 -0.000 -4.104) 4.412 1.353 ( -5.247 0.000 4.092) 6.654 1.447 ( -2.349 0.000 -4.044) 4.676 1.576 ( -4.032 0.000 3.510) 5.346 1.590 ( -2.338 0.000 2.469) 3.401 1.662 ( 1.557 -0.000 6.298) 6.488 1.734 ( -2.491 0.000 -1.630) 2.977 1.755 ( -7.178 0.000 -2.567) 7.623 1.821 ( 0.965 -0.000 -6.158) 6.233 1.976 ( -1.429 0.000 4.655) 4.870 2.019 ( -3.402 0.000 -0.052) 3.403 2.163 ( -2.734 0.000 3.062) 4.105 2.269 ( 2.036 -0.000 -4.723) 5.144 2.328 ( 0.857 -0.000 7.056) 7.108 2.414 ( 1.602 -0.000 0.846) 1.812 2.420 ( -0.846 0.000 1.311) 1.560 2.449 ( -5.597 0.000 0.100) 5.598 2.470 ( -2.860 0.000 -1.776) 3.367 2.502 ( -7.442 0.000 -3.749) 8.333 2.590 ( -4.930 0.000 -0.391) 4.946 2.645 ( -2.661 0.000 -5.261) 5.896 2.716 ( -2.297 0.000 -1.343) 2.661 2.731 ( -2.939 0.000 -2.874) 4.110 2.824 ( -5.220 0.000 3.557) 6.317 2.895 ( -4.978 0.000 -2.306) 5.487 2.981 ( -1.884 0.000 -0.922) 2.098 2.986 ( -3.094 0.000 -0.460) 3.128 3.114 ( 1.191 -0.000 4.140) 4.308 3.163 ( 1.996 -0.000 0.560) 2.073 3.228 ( 0.867 -0.000 5.628) 5.694 3.339 ( 1.895 -0.000 -4.898) 5.252 4.137 ( -6.077 0.000 0.303) 6.085 4.137 ( -4.419 0.000 0.274) 4.428 4.150 ( -6.276 0.000 -0.232) 6.280 4.150 ( -4.066 0.000 -0.254) 4.074 4.476 ( -1.244 0.000 1.716) 2.119 4.522 ( -0.785 0.000 -2.528) 2.647 4.593 ( 0.912 -0.000 4.646) 4.734 4.681 ( 0.310 -0.000 0.396) 0.503 4.727 ( 3.062 -0.000 -3.446) 4.609 4.753 ( 0.182 -0.000 -1.598) 1.609 5.083 ( 0.624 -0.000 0.200) 0.656 5.108 ( 0.478 -0.000 -1.893) 1.952 5.149 ( 0.084 -0.000 2.621) 2.622 5.183 ( 0.382 -0.000 0.425) 0.571 5.292 ( 2.489 -0.000 4.482) 5.127 5.352 ( -0.566 0.000 -1.304) 1.422 5.372 ( -0.100 0.000 1.274) 1.277 5.411 ( 1.307 -0.000 -1.616) 2.078 5.446 ( -2.061 0.000 0.728) 2.186 5.461 ( -0.049 0.000 -0.111) 0.122 5.465 ( -0.619 0.000 0.465) 0.774 5.519 ( 0.934 -0.000 -3.959) 4.068 5.553 ( 2.820 -0.000 1.933) 3.419 5.631 ( 2.870 -0.000 -5.026) 5.787 5.779 ( 0.282 -0.000 5.101) 5.109 5.884 ( 1.778 -0.000 -4.691) 5.016 6.015 ( 2.259 -0.000 5.026) 5.510 6.086 ( 1.888 -0.000 -1.946) 2.711 6.897 ( 0.312 -0.000 0.158) 0.349 6.901 ( 0.281 -0.000 -0.154) 0.321 ======================= Grid point 263 (98/98) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 -0.344 10.855) 10.861 0.703 ( -0.000 0.309 -6.127) 6.135 1.049 ( -0.000 2.614 4.064) 4.832 1.144 ( -0.000 1.981 -4.872) 5.259 1.269 ( -0.000 10.668 1.987) 10.851 1.275 ( -0.000 10.062 0.553) 10.077 1.402 ( 0.000 -10.544 -1.326) 10.627 1.472 ( 0.000 -7.766 -5.024) 9.249 1.493 ( -0.000 1.346 3.138) 3.415 1.547 ( -0.000 0.355 -1.963) 1.995 1.677 ( -0.000 1.109 6.488) 6.582 1.688 ( -0.000 0.235 0.360) 0.430 1.699 ( -0.000 0.333 -0.633) 0.715 1.844 ( -0.000 0.334 -8.534) 8.541 1.986 ( 0.000 -0.961 0.407) 1.043 1.995 ( 0.000 -0.879 -0.392) 0.963 2.108 ( -0.000 10.056 12.699) 16.199 2.317 ( 0.000 -0.290 1.093) 1.130 2.330 ( 0.000 -2.661 8.467) 8.875 2.340 ( 0.000 -0.112 -1.039) 1.045 2.379 ( -0.000 8.200 -10.953) 13.682 2.442 ( 0.000 -0.123 0.095) 0.155 2.444 ( 0.000 -0.029 -0.090) 0.095 2.466 ( -0.000 1.041 -0.223) 1.065 2.535 ( 0.000 -1.210 1.203) 1.706 2.596 ( -0.000 0.771 -3.187) 3.279 2.674 ( -0.000 3.805 -2.370) 4.483 2.722 ( 0.000 -2.689 -5.534) 6.153 2.782 ( 0.000 -2.600 3.068) 4.021 2.853 ( 0.000 -3.036 -2.610) 4.004 2.958 ( 0.000 -1.038 0.185) 1.054 2.970 ( 0.000 -2.550 -2.157) 3.340 3.132 ( 0.000 -1.027 4.966) 5.071 3.184 ( -0.000 0.426 1.250) 1.321 3.242 ( 0.000 -1.798 5.319) 5.615 3.357 ( 0.000 -0.062 -5.270) 5.270 4.071 ( -0.000 0.350 0.116) 0.369 4.075 ( -0.000 0.379 -0.253) 0.456 4.098 ( -0.000 0.430 0.524) 0.677 4.108 ( -0.000 0.423 -0.385) 0.572 4.465 ( 0.000 -0.239 1.941) 1.956 4.515 ( 0.000 -0.242 -2.799) 2.810 4.603 ( 0.000 -0.077 5.275) 5.275 4.682 ( -0.000 0.040 1.875) 1.875 4.752 ( -0.000 1.348 -2.305) 2.670 4.766 ( 0.000 -0.713 -5.587) 5.632 5.091 ( 0.000 -0.375 0.263) 0.458 5.114 ( 0.000 -0.346 -1.543) 1.581 5.153 ( 0.000 -0.675 2.651) 2.735 5.192 ( 0.000 -0.704 -0.321) 0.774 5.335 ( 0.000 -0.112 0.290) 0.311 5.341 ( 0.000 -0.096 -0.306) 0.321 5.345 ( 0.000 -0.200 7.851) 7.853 5.421 ( -0.000 0.490 0.103) 0.501 5.424 ( 0.000 -0.040 -1.011) 1.012 5.457 ( -0.000 0.157 0.158) 0.223 5.460 ( -0.000 0.169 -0.143) 0.221 5.532 ( -0.000 0.270 -6.189) 6.195 5.580 ( -0.000 0.345 2.016) 2.045 5.660 ( -0.000 0.643 -5.046) 5.087 5.782 ( -0.000 0.588 5.687) 5.717 5.902 ( -0.000 0.714 -5.533) 5.579 6.041 ( 0.000 -0.205 5.227) 5.231 6.109 ( 0.000 -0.560 -1.426) 1.532 6.899 ( 0.000 -0.001 0.143) 0.143 6.902 ( -0.000 0.008 -0.144) 0.144 =================== 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 3/33462 10.0 38.383 55.381 11.718 0.000 0.000 -0.000 3/33462 20.0 8.731 12.384 2.617 0.000 0.000 -0.000 3/33462 30.0 4.322 5.846 1.374 0.000 0.000 -0.000 3/33462 40.0 2.912 3.682 0.951 0.000 0.000 -0.000 3/33462 50.0 2.225 2.660 0.736 0.000 0.000 -0.000 3/33462 60.0 1.815 2.075 0.604 0.000 0.000 -0.000 3/33462 70.0 1.541 1.700 0.515 0.000 0.000 -0.000 3/33462 80.0 1.344 1.441 0.449 0.000 0.000 -0.000 3/33462 90.0 1.194 1.251 0.399 0.000 0.000 -0.000 3/33462 100.0 1.076 1.106 0.359 0.000 0.000 -0.000 3/33462 110.0 0.980 0.992 0.327 0.000 0.000 -0.000 3/33462 120.0 0.900 0.900 0.300 0.000 0.000 -0.000 3/33462 130.0 0.833 0.824 0.277 0.000 0.000 -0.000 3/33462 140.0 0.775 0.760 0.258 0.000 0.000 -0.000 3/33462 150.0 0.725 0.705 0.241 0.000 0.000 -0.000 3/33462 160.0 0.681 0.658 0.226 0.000 0.000 -0.000 3/33462 170.0 0.642 0.617 0.213 0.000 0.000 -0.000 3/33462 180.0 0.607 0.581 0.201 0.000 0.000 -0.000 3/33462 190.0 0.576 0.549 0.191 0.000 0.000 -0.000 3/33462 200.0 0.548 0.520 0.181 0.000 0.000 -0.000 3/33462 210.0 0.523 0.495 0.173 0.000 0.000 -0.000 3/33462 220.0 0.500 0.471 0.165 0.000 0.000 -0.000 3/33462 230.0 0.478 0.450 0.158 0.000 0.000 -0.000 3/33462 240.0 0.459 0.431 0.152 0.000 0.000 -0.000 3/33462 250.0 0.441 0.413 0.146 0.000 0.000 -0.000 3/33462 260.0 0.424 0.397 0.140 0.000 0.000 -0.000 3/33462 270.0 0.409 0.382 0.135 0.000 0.000 -0.000 3/33462 280.0 0.395 0.368 0.130 0.000 0.000 -0.000 3/33462 290.0 0.381 0.355 0.126 0.000 0.000 -0.000 3/33462 300.0 0.369 0.343 0.122 0.000 0.000 -0.000 3/33462 310.0 0.357 0.332 0.118 0.000 0.000 -0.000 3/33462 320.0 0.346 0.321 0.114 0.000 0.000 -0.000 3/33462 330.0 0.336 0.311 0.111 0.000 0.000 -0.000 3/33462 340.0 0.326 0.302 0.107 0.000 0.000 -0.000 3/33462 350.0 0.317 0.293 0.104 0.000 0.000 -0.000 3/33462 360.0 0.308 0.285 0.101 0.000 0.000 -0.000 3/33462 370.0 0.300 0.277 0.099 0.000 0.000 -0.000 3/33462 380.0 0.292 0.270 0.096 0.000 0.000 -0.000 3/33462 390.0 0.285 0.263 0.094 0.000 0.000 -0.000 3/33462 400.0 0.278 0.256 0.091 0.000 0.000 -0.000 3/33462 410.0 0.271 0.250 0.089 0.000 0.000 -0.000 3/33462 420.0 0.265 0.244 0.087 0.000 0.000 -0.000 3/33462 430.0 0.259 0.238 0.085 0.000 0.000 -0.000 3/33462 440.0 0.253 0.233 0.083 0.000 0.000 -0.000 3/33462 450.0 0.247 0.227 0.081 0.000 0.000 -0.000 3/33462 460.0 0.242 0.222 0.080 0.000 0.000 -0.000 3/33462 470.0 0.237 0.218 0.078 0.000 0.000 -0.000 3/33462 480.0 0.232 0.213 0.076 0.000 0.000 -0.000 3/33462 490.0 0.227 0.209 0.075 0.000 0.000 -0.000 3/33462 500.0 0.223 0.205 0.073 0.000 0.000 -0.000 3/33462 510.0 0.219 0.200 0.072 0.000 0.000 -0.000 3/33462 520.0 0.214 0.197 0.070 0.000 0.000 -0.000 3/33462 530.0 0.210 0.193 0.069 0.000 0.000 -0.000 3/33462 540.0 0.207 0.189 0.068 0.000 0.000 -0.000 3/33462 550.0 0.203 0.186 0.067 0.000 0.000 -0.000 3/33462 560.0 0.199 0.182 0.065 0.000 0.000 -0.000 3/33462 570.0 0.196 0.179 0.064 0.000 0.000 -0.000 3/33462 580.0 0.192 0.176 0.063 0.000 0.000 -0.000 3/33462 590.0 0.189 0.173 0.062 0.000 0.000 -0.000 3/33462 600.0 0.186 0.170 0.061 0.000 0.000 -0.000 3/33462 610.0 0.183 0.167 0.060 0.000 0.000 -0.000 3/33462 620.0 0.180 0.165 0.059 0.000 0.000 -0.000 3/33462 630.0 0.177 0.162 0.058 0.000 0.000 -0.000 3/33462 640.0 0.175 0.160 0.057 0.000 0.000 -0.000 3/33462 650.0 0.172 0.157 0.056 0.000 0.000 -0.000 3/33462 660.0 0.169 0.155 0.056 0.000 0.000 -0.000 3/33462 670.0 0.167 0.152 0.055 0.000 0.000 -0.000 3/33462 680.0 0.164 0.150 0.054 0.000 0.000 -0.000 3/33462 690.0 0.162 0.148 0.053 0.000 0.000 -0.000 3/33462 700.0 0.160 0.146 0.052 0.000 0.000 -0.000 3/33462 710.0 0.157 0.144 0.052 0.000 0.000 -0.000 3/33462 720.0 0.155 0.142 0.051 0.000 0.000 -0.000 3/33462 730.0 0.153 0.140 0.050 0.000 0.000 -0.000 3/33462 740.0 0.151 0.138 0.050 0.000 0.000 -0.000 3/33462 750.0 0.149 0.136 0.049 0.000 0.000 -0.000 3/33462 760.0 0.147 0.134 0.048 0.000 0.000 -0.000 3/33462 770.0 0.145 0.133 0.048 0.000 0.000 -0.000 3/33462 780.0 0.143 0.131 0.047 0.000 0.000 -0.000 3/33462 790.0 0.142 0.129 0.046 0.000 0.000 -0.000 3/33462 800.0 0.140 0.128 0.046 0.000 0.000 -0.000 3/33462 810.0 0.138 0.126 0.045 0.000 0.000 -0.000 3/33462 820.0 0.136 0.124 0.045 0.000 0.000 -0.000 3/33462 830.0 0.135 0.123 0.044 0.000 0.000 -0.000 3/33462 840.0 0.133 0.121 0.044 0.000 0.000 -0.000 3/33462 850.0 0.132 0.120 0.043 0.000 0.000 -0.000 3/33462 860.0 0.130 0.119 0.043 0.000 0.000 -0.000 3/33462 870.0 0.129 0.117 0.042 0.000 0.000 -0.000 3/33462 880.0 0.127 0.116 0.042 0.000 0.000 -0.000 3/33462 890.0 0.126 0.115 0.041 0.000 0.000 -0.000 3/33462 900.0 0.124 0.113 0.041 0.000 0.000 -0.000 3/33462 910.0 0.123 0.112 0.040 0.000 0.000 -0.000 3/33462 920.0 0.122 0.111 0.040 0.000 0.000 -0.000 3/33462 930.0 0.120 0.110 0.039 0.000 0.000 -0.000 3/33462 940.0 0.119 0.109 0.039 0.000 0.000 -0.000 3/33462 950.0 0.118 0.107 0.039 0.000 0.000 -0.000 3/33462 960.0 0.117 0.106 0.038 0.000 0.000 -0.000 3/33462 970.0 0.115 0.105 0.038 0.000 0.000 -0.000 3/33462 980.0 0.114 0.104 0.037 0.000 0.000 -0.000 3/33462 990.0 0.113 0.103 0.037 0.000 0.000 -0.000 3/33462 1000.0 0.112 0.102 0.037 0.000 0.000 -0.000 3/33462 Thermal conductivity related properties were written into "kappa-m13133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:58:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|