----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:25:34]------------------------- 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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.694120900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.694120900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.340900000000000 Atomic positions (fractional): *1 O 0.69818545430560 0.69818545430560 0.67208737025415 15.999 2 O 0.30181454569440 0.30181454569440 0.67208737025415 15.999 3 O 0.69818545430560 0.69818545430560 0.32791262974585 15.999 4 O 0.19818545430560 0.80181454569440 0.17208737025415 15.999 5 O 0.80181454569440 0.19818545430560 0.17208737025415 15.999 6 O 0.80181454569440 0.19818545430560 0.82791262974585 15.999 *7 O 0.31009995329666 0.31009995329666 0.00000000000000 15.999 8 O 0.18990004670335 0.81009995329665 0.50000000000000 15.999 9 O 0.81009995329665 0.18990004670335 0.50000000000000 15.999 10 O 0.68990004670335 0.68990004670335 0.00000000000000 15.999 11 O 0.30181454569440 0.30181454569440 0.32791262974585 15.999 12 O 0.19818545430560 0.80181454569440 0.82791262974585 15.999 *13 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 14 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 *15 Sb 0.50000000000000 0.50000000000000 0.83238436862101 121.760 16 Sb 0.00000000000000 0.00000000000000 0.33238436862101 121.760 17 Sb 0.50000000000000 0.50000000000000 0.16761563137899 121.760 18 Sb 0.00000000000000 0.00000000000000 0.66761563137899 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.694120900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.694120900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.340900000000000 Atomic positions (fractional): *1 O 0.69818545430560 0.69818545430560 0.67208737025415 15.999 > 1 2 O 0.30181454569440 0.30181454569440 0.67208737025415 15.999 > 2 3 O 0.69818545430560 0.69818545430560 0.32791262974585 15.999 > 3 4 O 0.19818545430560 0.80181454569440 0.17208737025415 15.999 > 4 5 O 0.80181454569440 0.19818545430560 0.17208737025415 15.999 > 5 6 O 0.80181454569440 0.19818545430560 0.82791262974585 15.999 > 6 *7 O 0.31009995329666 0.31009995329666 0.00000000000000 15.999 > 7 8 O 0.18990004670335 0.81009995329665 0.50000000000000 15.999 > 8 9 O 0.81009995329665 0.18990004670335 0.50000000000000 15.999 > 9 10 O 0.68990004670335 0.68990004670335 0.00000000000000 15.999 > 10 11 O 0.30181454569440 0.30181454569440 0.32791262974585 15.999 > 11 12 O 0.19818545430560 0.80181454569440 0.82791262974585 15.999 > 12 *13 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 13 14 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 14 *15 Sb 0.50000000000000 0.50000000000000 0.83238436862101 121.760 > 15 16 Sb 0.00000000000000 0.00000000000000 0.33238436862101 121.760 > 16 17 Sb 0.50000000000000 0.50000000000000 0.16761563137899 121.760 > 17 18 Sb 0.00000000000000 0.00000000000000 0.66761563137899 121.760 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.388241799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.388241799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.681799999999999 Atomic positions (fractional): *1 O 0.34909272715280 0.34909272715280 0.33604368512707 15.999 > 1 2 O 0.84909272715280 0.34909272715280 0.33604368512707 15.999 > 1 3 O 0.34909272715280 0.84909272715280 0.33604368512707 15.999 > 1 4 O 0.84909272715280 0.84909272715280 0.33604368512707 15.999 > 1 5 O 0.34909272715280 0.34909272715280 0.83604368512707 15.999 > 1 6 O 0.84909272715280 0.34909272715280 0.83604368512707 15.999 > 1 7 O 0.34909272715280 0.84909272715280 0.83604368512707 15.999 > 1 8 O 0.84909272715280 0.84909272715280 0.83604368512707 15.999 > 1 9 O 0.15090727284720 0.15090727284720 0.33604368512707 15.999 > 2 10 O 0.65090727284720 0.15090727284720 0.33604368512707 15.999 > 2 11 O 0.15090727284720 0.65090727284720 0.33604368512707 15.999 > 2 12 O 0.65090727284720 0.65090727284720 0.33604368512707 15.999 > 2 13 O 0.15090727284720 0.15090727284720 0.83604368512707 15.999 > 2 14 O 0.65090727284720 0.15090727284720 0.83604368512707 15.999 > 2 15 O 0.15090727284720 0.65090727284720 0.83604368512707 15.999 > 2 16 O 0.65090727284720 0.65090727284720 0.83604368512707 15.999 > 2 17 O 0.34909272715280 0.34909272715280 0.16395631487293 15.999 > 3 18 O 0.84909272715280 0.34909272715280 0.16395631487293 15.999 > 3 19 O 0.34909272715280 0.84909272715280 0.16395631487293 15.999 > 3 20 O 0.84909272715280 0.84909272715280 0.16395631487293 15.999 > 3 21 O 0.34909272715280 0.34909272715280 0.66395631487293 15.999 > 3 22 O 0.84909272715280 0.34909272715280 0.66395631487293 15.999 > 3 23 O 0.34909272715280 0.84909272715280 0.66395631487293 15.999 > 3 24 O 0.84909272715280 0.84909272715280 0.66395631487293 15.999 > 3 25 O 0.09909272715280 0.40090727284720 0.08604368512707 15.999 > 4 26 O 0.59909272715280 0.40090727284720 0.08604368512707 15.999 > 4 27 O 0.09909272715280 0.90090727284720 0.08604368512707 15.999 > 4 28 O 0.59909272715280 0.90090727284720 0.08604368512707 15.999 > 4 29 O 0.09909272715280 0.40090727284720 0.58604368512707 15.999 > 4 30 O 0.59909272715280 0.40090727284720 0.58604368512707 15.999 > 4 31 O 0.09909272715280 0.90090727284720 0.58604368512707 15.999 > 4 32 O 0.59909272715280 0.90090727284720 0.58604368512707 15.999 > 4 33 O 0.40090727284720 0.09909272715280 0.08604368512707 15.999 > 5 34 O 0.90090727284720 0.09909272715280 0.08604368512707 15.999 > 5 35 O 0.40090727284720 0.59909272715280 0.08604368512707 15.999 > 5 36 O 0.90090727284720 0.59909272715280 0.08604368512707 15.999 > 5 37 O 0.40090727284720 0.09909272715280 0.58604368512707 15.999 > 5 38 O 0.90090727284720 0.09909272715280 0.58604368512707 15.999 > 5 39 O 0.40090727284720 0.59909272715280 0.58604368512707 15.999 > 5 40 O 0.90090727284720 0.59909272715280 0.58604368512707 15.999 > 5 41 O 0.40090727284720 0.09909272715280 0.41395631487293 15.999 > 6 42 O 0.90090727284720 0.09909272715280 0.41395631487293 15.999 > 6 43 O 0.40090727284720 0.59909272715280 0.41395631487293 15.999 > 6 44 O 0.90090727284720 0.59909272715280 0.41395631487293 15.999 > 6 45 O 0.40090727284720 0.09909272715280 0.91395631487293 15.999 > 6 46 O 0.90090727284720 0.09909272715280 0.91395631487293 15.999 > 6 47 O 0.40090727284720 0.59909272715280 0.91395631487293 15.999 > 6 48 O 0.90090727284720 0.59909272715280 0.91395631487293 15.999 > 6 *49 O 0.15504997664833 0.15504997664833 0.00000000000000 15.999 > 7 50 O 0.65504997664833 0.15504997664833 0.00000000000000 15.999 > 7 51 O 0.15504997664833 0.65504997664833 0.00000000000000 15.999 > 7 52 O 0.65504997664833 0.65504997664833 0.00000000000000 15.999 > 7 53 O 0.15504997664833 0.15504997664833 0.50000000000000 15.999 > 7 54 O 0.65504997664833 0.15504997664833 0.50000000000000 15.999 > 7 55 O 0.15504997664833 0.65504997664833 0.50000000000000 15.999 > 7 56 O 0.65504997664833 0.65504997664833 0.50000000000000 15.999 > 7 57 O 0.09495002335167 0.40504997664833 0.25000000000000 15.999 > 8 58 O 0.59495002335167 0.40504997664833 0.25000000000000 15.999 > 8 59 O 0.09495002335167 0.90504997664833 0.25000000000000 15.999 > 8 60 O 0.59495002335167 0.90504997664833 0.25000000000000 15.999 > 8 61 O 0.09495002335167 0.40504997664833 0.75000000000000 15.999 > 8 62 O 0.59495002335167 0.40504997664833 0.75000000000000 15.999 > 8 63 O 0.09495002335167 0.90504997664833 0.75000000000000 15.999 > 8 64 O 0.59495002335167 0.90504997664833 0.75000000000000 15.999 > 8 65 O 0.40504997664833 0.09495002335167 0.25000000000000 15.999 > 9 66 O 0.90504997664833 0.09495002335167 0.25000000000000 15.999 > 9 67 O 0.40504997664833 0.59495002335167 0.25000000000000 15.999 > 9 68 O 0.90504997664833 0.59495002335167 0.25000000000000 15.999 > 9 69 O 0.40504997664833 0.09495002335167 0.75000000000000 15.999 > 9 70 O 0.90504997664833 0.09495002335167 0.75000000000000 15.999 > 9 71 O 0.40504997664833 0.59495002335167 0.75000000000000 15.999 > 9 72 O 0.90504997664833 0.59495002335167 0.75000000000000 15.999 > 9 73 O 0.34495002335167 0.34495002335167 0.00000000000000 15.999 > 10 74 O 0.84495002335167 0.34495002335167 0.00000000000000 15.999 > 10 75 O 0.34495002335167 0.84495002335167 0.00000000000000 15.999 > 10 76 O 0.84495002335167 0.84495002335167 0.00000000000000 15.999 > 10 77 O 0.34495002335167 0.34495002335167 0.50000000000000 15.999 > 10 78 O 0.84495002335167 0.34495002335167 0.50000000000000 15.999 > 10 79 O 0.34495002335167 0.84495002335167 0.50000000000000 15.999 > 10 80 O 0.84495002335167 0.84495002335167 0.50000000000000 15.999 > 10 81 O 0.15090727284720 0.15090727284720 0.16395631487293 15.999 > 11 82 O 0.65090727284720 0.15090727284720 0.16395631487293 15.999 > 11 83 O 0.15090727284720 0.65090727284720 0.16395631487293 15.999 > 11 84 O 0.65090727284720 0.65090727284720 0.16395631487293 15.999 > 11 85 O 0.15090727284720 0.15090727284720 0.66395631487293 15.999 > 11 86 O 0.65090727284720 0.15090727284720 0.66395631487293 15.999 > 11 87 O 0.15090727284720 0.65090727284720 0.66395631487293 15.999 > 11 88 O 0.65090727284720 0.65090727284720 0.66395631487293 15.999 > 11 89 O 0.09909272715280 0.40090727284720 0.41395631487293 15.999 > 12 90 O 0.59909272715280 0.40090727284720 0.41395631487293 15.999 > 12 91 O 0.09909272715280 0.90090727284720 0.41395631487293 15.999 > 12 92 O 0.59909272715280 0.90090727284720 0.41395631487293 15.999 > 12 93 O 0.09909272715280 0.40090727284720 0.91395631487293 15.999 > 12 94 O 0.59909272715280 0.40090727284720 0.91395631487293 15.999 > 12 95 O 0.09909272715280 0.90090727284720 0.91395631487293 15.999 > 12 96 O 0.59909272715280 0.90090727284720 0.91395631487293 15.999 > 12 *97 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 13 98 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 13 99 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 13 100 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 13 101 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 13 102 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 13 103 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 13 104 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 13 105 Zn 0.25000000000000 0.25000000000000 0.25000000000000 65.380 > 14 106 Zn 0.75000000000000 0.25000000000000 0.25000000000000 65.380 > 14 107 Zn 0.25000000000000 0.75000000000000 0.25000000000000 65.380 > 14 108 Zn 0.75000000000000 0.75000000000000 0.25000000000000 65.380 > 14 109 Zn 0.25000000000000 0.25000000000000 0.75000000000000 65.380 > 14 110 Zn 0.75000000000000 0.25000000000000 0.75000000000000 65.380 > 14 111 Zn 0.25000000000000 0.75000000000000 0.75000000000000 65.380 > 14 112 Zn 0.75000000000000 0.75000000000000 0.75000000000000 65.380 > 14 *113 Sb 0.25000000000000 0.25000000000000 0.41619218431051 121.760 > 15 114 Sb 0.75000000000000 0.25000000000000 0.41619218431051 121.760 > 15 115 Sb 0.25000000000000 0.75000000000000 0.41619218431051 121.760 > 15 116 Sb 0.75000000000000 0.75000000000000 0.41619218431051 121.760 > 15 117 Sb 0.25000000000000 0.25000000000000 0.91619218431051 121.760 > 15 118 Sb 0.75000000000000 0.25000000000000 0.91619218431051 121.760 > 15 119 Sb 0.25000000000000 0.75000000000000 0.91619218431051 121.760 > 15 120 Sb 0.75000000000000 0.75000000000000 0.91619218431051 121.760 > 15 121 Sb 0.00000000000000 0.00000000000000 0.16619218431051 121.760 > 16 122 Sb 0.50000000000000 0.00000000000000 0.16619218431051 121.760 > 16 123 Sb 0.00000000000000 0.50000000000000 0.16619218431051 121.760 > 16 124 Sb 0.50000000000000 0.50000000000000 0.16619218431051 121.760 > 16 125 Sb 0.00000000000000 0.00000000000000 0.66619218431051 121.760 > 16 126 Sb 0.50000000000000 0.00000000000000 0.66619218431051 121.760 > 16 127 Sb 0.00000000000000 0.50000000000000 0.66619218431051 121.760 > 16 128 Sb 0.50000000000000 0.50000000000000 0.66619218431051 121.760 > 16 129 Sb 0.25000000000000 0.25000000000000 0.08380781568949 121.760 > 17 130 Sb 0.75000000000000 0.25000000000000 0.08380781568949 121.760 > 17 131 Sb 0.25000000000000 0.75000000000000 0.08380781568949 121.760 > 17 132 Sb 0.75000000000000 0.75000000000000 0.08380781568949 121.760 > 17 133 Sb 0.25000000000000 0.25000000000000 0.58380781568949 121.760 > 17 134 Sb 0.75000000000000 0.25000000000000 0.58380781568949 121.760 > 17 135 Sb 0.25000000000000 0.75000000000000 0.58380781568949 121.760 > 17 136 Sb 0.75000000000000 0.75000000000000 0.58380781568949 121.760 > 17 137 Sb 0.00000000000000 0.00000000000000 0.33380781568949 121.760 > 18 138 Sb 0.50000000000000 0.00000000000000 0.33380781568949 121.760 > 18 139 Sb 0.00000000000000 0.50000000000000 0.33380781568949 121.760 > 18 140 Sb 0.50000000000000 0.50000000000000 0.33380781568949 121.760 > 18 141 Sb 0.00000000000000 0.00000000000000 0.83380781568949 121.760 > 18 142 Sb 0.50000000000000 0.00000000000000 0.83380781568949 121.760 > 18 143 Sb 0.00000000000000 0.50000000000000 0.83380781568949 121.760 > 18 144 Sb 0.50000000000000 0.50000000000000 0.83380781568949 121.760 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0266682 0.0000000 0.0000000 0.0000000 5.0266682 0.0000000 0.0000000 0.0000000 5.0644898 -------------------------- Born effective charges -------------------------- 1 O -2.1603481 -0.8983756 0.2984089 -0.8983756 -2.1603481 0.2984089 0.2133877 0.2133877 -1.9638788 2 O -2.1603481 -0.8983756 -0.2984089 -0.8983756 -2.1603481 -0.2984089 -0.2133877 -0.2133877 -1.9638788 3 O -2.1603481 -0.8983756 -0.2984089 -0.8983756 -2.1603481 -0.2984089 -0.2133877 -0.2133877 -1.9638788 4 O -2.1603481 0.8983756 0.2984089 0.8983756 -2.1603481 -0.2984089 0.2133877 -0.2133877 -1.9638788 5 O -2.1603481 0.8983756 -0.2984089 0.8983756 -2.1603481 0.2984089 -0.2133877 0.2133877 -1.9638788 6 O -2.1603481 0.8983756 0.2984089 0.8983756 -2.1603481 -0.2984089 0.2133877 -0.2133877 -1.9638788 7 O -1.6439428 -0.4171040 0.0000000 -0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 8 O -1.6439428 0.4171040 0.0000000 0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 9 O -1.6439428 0.4171040 0.0000000 0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 10 O -1.6439428 -0.4171040 0.0000000 -0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 11 O -2.1603481 -0.8983756 0.2984089 -0.8983756 -2.1603481 0.2984089 0.2133877 0.2133877 -1.9638788 12 O -2.1603481 0.8983756 -0.2984089 0.8983756 -2.1603481 0.2984089 -0.2133877 0.2133877 -1.9638788 13 Zn 2.3858702 0.2611397 0.0000000 0.2611397 2.3858702 0.0000000 0.0000000 0.0000000 2.6496107 14 Zn 2.3858702 -0.2611397 0.0000000 -0.2611397 2.3858702 0.0000000 0.0000000 0.0000000 2.6496107 15 Sb 4.7717039 -0.6349248 0.0000000 -0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 16 Sb 4.7717039 0.6349248 0.0000000 0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 17 Sb 4.7717039 -0.6349248 0.0000000 -0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 18 Sb 4.7717039 0.6349248 0.0000000 0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 160 - Time: 1.047 Solver_block: 160 / 160 - Time: 0.680 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.756 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:25:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:25:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.694120900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.694120900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.340900000000000 Atomic positions (fractional): 1 O 0.69818545430560 0.69818545430560 0.67208737025415 15.999 2 O 0.30181454569440 0.30181454569440 0.67208737025415 15.999 3 O 0.69818545430560 0.69818545430560 0.32791262974585 15.999 4 O 0.19818545430560 0.80181454569440 0.17208737025415 15.999 5 O 0.80181454569440 0.19818545430560 0.17208737025415 15.999 6 O 0.80181454569440 0.19818545430560 0.82791262974585 15.999 7 O 0.31009995329666 0.31009995329666 0.00000000000000 15.999 8 O 0.18990004670335 0.81009995329665 0.50000000000000 15.999 9 O 0.81009995329665 0.18990004670335 0.50000000000000 15.999 10 O 0.68990004670335 0.68990004670335 0.00000000000000 15.999 11 O 0.30181454569440 0.30181454569440 0.32791262974585 15.999 12 O 0.19818545430560 0.80181454569440 0.82791262974585 15.999 13 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 14 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 15 Sb 0.50000000000000 0.50000000000000 0.83238436862101 121.760 16 Sb 0.00000000000000 0.00000000000000 0.33238436862101 121.760 17 Sb 0.50000000000000 0.50000000000000 0.16761563137899 121.760 18 Sb 0.00000000000000 0.00000000000000 0.66761563137899 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.388241799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.388241799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.681799999999999 Atomic positions (fractional): 1 O 0.34909272715280 0.34909272715280 0.33604368512707 15.999 > 1 2 O 0.84909272715280 0.34909272715280 0.33604368512707 15.999 > 1 3 O 0.34909272715280 0.84909272715280 0.33604368512707 15.999 > 1 4 O 0.84909272715280 0.84909272715280 0.33604368512707 15.999 > 1 5 O 0.34909272715280 0.34909272715280 0.83604368512707 15.999 > 1 6 O 0.84909272715280 0.34909272715280 0.83604368512707 15.999 > 1 7 O 0.34909272715280 0.84909272715280 0.83604368512707 15.999 > 1 8 O 0.84909272715280 0.84909272715280 0.83604368512707 15.999 > 1 9 O 0.15090727284720 0.15090727284720 0.33604368512707 15.999 > 9 10 O 0.65090727284720 0.15090727284720 0.33604368512707 15.999 > 9 11 O 0.15090727284720 0.65090727284720 0.33604368512707 15.999 > 9 12 O 0.65090727284720 0.65090727284720 0.33604368512707 15.999 > 9 13 O 0.15090727284720 0.15090727284720 0.83604368512707 15.999 > 9 14 O 0.65090727284720 0.15090727284720 0.83604368512707 15.999 > 9 15 O 0.15090727284720 0.65090727284720 0.83604368512707 15.999 > 9 16 O 0.65090727284720 0.65090727284720 0.83604368512707 15.999 > 9 17 O 0.34909272715280 0.34909272715280 0.16395631487293 15.999 > 17 18 O 0.84909272715280 0.34909272715280 0.16395631487293 15.999 > 17 19 O 0.34909272715280 0.84909272715280 0.16395631487293 15.999 > 17 20 O 0.84909272715280 0.84909272715280 0.16395631487293 15.999 > 17 21 O 0.34909272715280 0.34909272715280 0.66395631487293 15.999 > 17 22 O 0.84909272715280 0.34909272715280 0.66395631487293 15.999 > 17 23 O 0.34909272715280 0.84909272715280 0.66395631487293 15.999 > 17 24 O 0.84909272715280 0.84909272715280 0.66395631487293 15.999 > 17 25 O 0.09909272715280 0.40090727284720 0.08604368512707 15.999 > 25 26 O 0.59909272715280 0.40090727284720 0.08604368512707 15.999 > 25 27 O 0.09909272715280 0.90090727284720 0.08604368512707 15.999 > 25 28 O 0.59909272715280 0.90090727284720 0.08604368512707 15.999 > 25 29 O 0.09909272715280 0.40090727284720 0.58604368512707 15.999 > 25 30 O 0.59909272715280 0.40090727284720 0.58604368512707 15.999 > 25 31 O 0.09909272715280 0.90090727284720 0.58604368512707 15.999 > 25 32 O 0.59909272715280 0.90090727284720 0.58604368512707 15.999 > 25 33 O 0.40090727284720 0.09909272715280 0.08604368512707 15.999 > 33 34 O 0.90090727284720 0.09909272715280 0.08604368512707 15.999 > 33 35 O 0.40090727284720 0.59909272715280 0.08604368512707 15.999 > 33 36 O 0.90090727284720 0.59909272715280 0.08604368512707 15.999 > 33 37 O 0.40090727284720 0.09909272715280 0.58604368512707 15.999 > 33 38 O 0.90090727284720 0.09909272715280 0.58604368512707 15.999 > 33 39 O 0.40090727284720 0.59909272715280 0.58604368512707 15.999 > 33 40 O 0.90090727284720 0.59909272715280 0.58604368512707 15.999 > 33 41 O 0.40090727284720 0.09909272715280 0.41395631487293 15.999 > 41 42 O 0.90090727284720 0.09909272715280 0.41395631487293 15.999 > 41 43 O 0.40090727284720 0.59909272715280 0.41395631487293 15.999 > 41 44 O 0.90090727284720 0.59909272715280 0.41395631487293 15.999 > 41 45 O 0.40090727284720 0.09909272715280 0.91395631487293 15.999 > 41 46 O 0.90090727284720 0.09909272715280 0.91395631487293 15.999 > 41 47 O 0.40090727284720 0.59909272715280 0.91395631487293 15.999 > 41 48 O 0.90090727284720 0.59909272715280 0.91395631487293 15.999 > 41 49 O 0.15504997664833 0.15504997664833 0.00000000000000 15.999 > 49 50 O 0.65504997664833 0.15504997664833 0.00000000000000 15.999 > 49 51 O 0.15504997664833 0.65504997664833 0.00000000000000 15.999 > 49 52 O 0.65504997664833 0.65504997664833 0.00000000000000 15.999 > 49 53 O 0.15504997664833 0.15504997664833 0.50000000000000 15.999 > 49 54 O 0.65504997664833 0.15504997664833 0.50000000000000 15.999 > 49 55 O 0.15504997664833 0.65504997664833 0.50000000000000 15.999 > 49 56 O 0.65504997664833 0.65504997664833 0.50000000000000 15.999 > 49 57 O 0.09495002335167 0.40504997664833 0.25000000000000 15.999 > 57 58 O 0.59495002335167 0.40504997664833 0.25000000000000 15.999 > 57 59 O 0.09495002335167 0.90504997664833 0.25000000000000 15.999 > 57 60 O 0.59495002335167 0.90504997664833 0.25000000000000 15.999 > 57 61 O 0.09495002335167 0.40504997664833 0.75000000000000 15.999 > 57 62 O 0.59495002335167 0.40504997664833 0.75000000000000 15.999 > 57 63 O 0.09495002335167 0.90504997664833 0.75000000000000 15.999 > 57 64 O 0.59495002335167 0.90504997664833 0.75000000000000 15.999 > 57 65 O 0.40504997664833 0.09495002335167 0.25000000000000 15.999 > 65 66 O 0.90504997664833 0.09495002335167 0.25000000000000 15.999 > 65 67 O 0.40504997664833 0.59495002335167 0.25000000000000 15.999 > 65 68 O 0.90504997664833 0.59495002335167 0.25000000000000 15.999 > 65 69 O 0.40504997664833 0.09495002335167 0.75000000000000 15.999 > 65 70 O 0.90504997664833 0.09495002335167 0.75000000000000 15.999 > 65 71 O 0.40504997664833 0.59495002335167 0.75000000000000 15.999 > 65 72 O 0.90504997664833 0.59495002335167 0.75000000000000 15.999 > 65 73 O 0.34495002335167 0.34495002335167 0.00000000000000 15.999 > 73 74 O 0.84495002335167 0.34495002335167 0.00000000000000 15.999 > 73 75 O 0.34495002335167 0.84495002335167 0.00000000000000 15.999 > 73 76 O 0.84495002335167 0.84495002335167 0.00000000000000 15.999 > 73 77 O 0.34495002335167 0.34495002335167 0.50000000000000 15.999 > 73 78 O 0.84495002335167 0.34495002335167 0.50000000000000 15.999 > 73 79 O 0.34495002335167 0.84495002335167 0.50000000000000 15.999 > 73 80 O 0.84495002335167 0.84495002335167 0.50000000000000 15.999 > 73 81 O 0.15090727284720 0.15090727284720 0.16395631487293 15.999 > 81 82 O 0.65090727284720 0.15090727284720 0.16395631487293 15.999 > 81 83 O 0.15090727284720 0.65090727284720 0.16395631487293 15.999 > 81 84 O 0.65090727284720 0.65090727284720 0.16395631487293 15.999 > 81 85 O 0.15090727284720 0.15090727284720 0.66395631487293 15.999 > 81 86 O 0.65090727284720 0.15090727284720 0.66395631487293 15.999 > 81 87 O 0.15090727284720 0.65090727284720 0.66395631487293 15.999 > 81 88 O 0.65090727284720 0.65090727284720 0.66395631487293 15.999 > 81 89 O 0.09909272715280 0.40090727284720 0.41395631487293 15.999 > 89 90 O 0.59909272715280 0.40090727284720 0.41395631487293 15.999 > 89 91 O 0.09909272715280 0.90090727284720 0.41395631487293 15.999 > 89 92 O 0.59909272715280 0.90090727284720 0.41395631487293 15.999 > 89 93 O 0.09909272715280 0.40090727284720 0.91395631487293 15.999 > 89 94 O 0.59909272715280 0.40090727284720 0.91395631487293 15.999 > 89 95 O 0.09909272715280 0.90090727284720 0.91395631487293 15.999 > 89 96 O 0.59909272715280 0.90090727284720 0.91395631487293 15.999 > 89 97 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 97 98 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 97 99 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 97 100 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 97 101 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 97 102 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 97 103 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 97 104 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 97 105 Zn 0.25000000000000 0.25000000000000 0.25000000000000 65.380 > 105 106 Zn 0.75000000000000 0.25000000000000 0.25000000000000 65.380 > 105 107 Zn 0.25000000000000 0.75000000000000 0.25000000000000 65.380 > 105 108 Zn 0.75000000000000 0.75000000000000 0.25000000000000 65.380 > 105 109 Zn 0.25000000000000 0.25000000000000 0.75000000000000 65.380 > 105 110 Zn 0.75000000000000 0.25000000000000 0.75000000000000 65.380 > 105 111 Zn 0.25000000000000 0.75000000000000 0.75000000000000 65.380 > 105 112 Zn 0.75000000000000 0.75000000000000 0.75000000000000 65.380 > 105 113 Sb 0.25000000000000 0.25000000000000 0.41619218431051 121.760 > 113 114 Sb 0.75000000000000 0.25000000000000 0.41619218431051 121.760 > 113 115 Sb 0.25000000000000 0.75000000000000 0.41619218431051 121.760 > 113 116 Sb 0.75000000000000 0.75000000000000 0.41619218431051 121.760 > 113 117 Sb 0.25000000000000 0.25000000000000 0.91619218431051 121.760 > 113 118 Sb 0.75000000000000 0.25000000000000 0.91619218431051 121.760 > 113 119 Sb 0.25000000000000 0.75000000000000 0.91619218431051 121.760 > 113 120 Sb 0.75000000000000 0.75000000000000 0.91619218431051 121.760 > 113 121 Sb 0.00000000000000 0.00000000000000 0.16619218431051 121.760 > 121 122 Sb 0.50000000000000 0.00000000000000 0.16619218431051 121.760 > 121 123 Sb 0.00000000000000 0.50000000000000 0.16619218431051 121.760 > 121 124 Sb 0.50000000000000 0.50000000000000 0.16619218431051 121.760 > 121 125 Sb 0.00000000000000 0.00000000000000 0.66619218431051 121.760 > 121 126 Sb 0.50000000000000 0.00000000000000 0.66619218431051 121.760 > 121 127 Sb 0.00000000000000 0.50000000000000 0.66619218431051 121.760 > 121 128 Sb 0.50000000000000 0.50000000000000 0.66619218431051 121.760 > 121 129 Sb 0.25000000000000 0.25000000000000 0.08380781568949 121.760 > 129 130 Sb 0.75000000000000 0.25000000000000 0.08380781568949 121.760 > 129 131 Sb 0.25000000000000 0.75000000000000 0.08380781568949 121.760 > 129 132 Sb 0.75000000000000 0.75000000000000 0.08380781568949 121.760 > 129 133 Sb 0.25000000000000 0.25000000000000 0.58380781568949 121.760 > 129 134 Sb 0.75000000000000 0.25000000000000 0.58380781568949 121.760 > 129 135 Sb 0.25000000000000 0.75000000000000 0.58380781568949 121.760 > 129 136 Sb 0.75000000000000 0.75000000000000 0.58380781568949 121.760 > 129 137 Sb 0.00000000000000 0.00000000000000 0.33380781568949 121.760 > 137 138 Sb 0.50000000000000 0.00000000000000 0.33380781568949 121.760 > 137 139 Sb 0.00000000000000 0.50000000000000 0.33380781568949 121.760 > 137 140 Sb 0.50000000000000 0.50000000000000 0.33380781568949 121.760 > 137 141 Sb 0.00000000000000 0.00000000000000 0.83380781568949 121.760 > 137 142 Sb 0.50000000000000 0.00000000000000 0.83380781568949 121.760 > 137 143 Sb 0.00000000000000 0.50000000000000 0.83380781568949 121.760 > 137 144 Sb 0.50000000000000 0.50000000000000 0.83380781568949 121.760 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0266682 0.0000000 0.0000000 0.0000000 5.0266682 0.0000000 0.0000000 0.0000000 5.0644898 -------------------------- Born effective charges -------------------------- 1 O -2.1603481 -0.8983756 0.2984089 -0.8983756 -2.1603481 0.2984089 0.2133877 0.2133877 -1.9638788 2 O -2.1603481 -0.8983756 -0.2984089 -0.8983756 -2.1603481 -0.2984089 -0.2133877 -0.2133877 -1.9638788 3 O -2.1603481 -0.8983756 -0.2984089 -0.8983756 -2.1603481 -0.2984089 -0.2133877 -0.2133877 -1.9638788 4 O -2.1603481 0.8983756 0.2984089 0.8983756 -2.1603481 -0.2984089 0.2133877 -0.2133877 -1.9638788 5 O -2.1603481 0.8983756 -0.2984089 0.8983756 -2.1603481 0.2984089 -0.2133877 0.2133877 -1.9638788 6 O -2.1603481 0.8983756 0.2984089 0.8983756 -2.1603481 -0.2984089 0.2133877 -0.2133877 -1.9638788 7 O -1.6439428 -0.4171040 0.0000000 -0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 8 O -1.6439428 0.4171040 0.0000000 0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 9 O -1.6439428 0.4171040 0.0000000 0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 10 O -1.6439428 -0.4171040 0.0000000 -0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 11 O -2.1603481 -0.8983756 0.2984089 -0.8983756 -2.1603481 0.2984089 0.2133877 0.2133877 -1.9638788 12 O -2.1603481 0.8983756 -0.2984089 0.8983756 -2.1603481 0.2984089 -0.2133877 0.2133877 -1.9638788 13 Zn 2.3858702 0.2611397 0.0000000 0.2611397 2.3858702 0.0000000 0.0000000 0.0000000 2.6496107 14 Zn 2.3858702 -0.2611397 0.0000000 -0.2611397 2.3858702 0.0000000 0.0000000 0.0000000 2.6496107 15 Sb 4.7717039 -0.6349248 0.0000000 -0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 16 Sb 4.7717039 0.6349248 0.0000000 0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 17 Sb 4.7717039 -0.6349248 0.0000000 -0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 18 Sb 4.7717039 0.6349248 0.0000000 0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: 0.00000013 (zzz) 0.00000013 (zzz) 0.00000013 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:26:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:26:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.694120900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.694120900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.340900000000000 Atomic positions (fractional): 1 O 0.69818545430560 0.69818545430560 0.67208737025415 15.999 2 O 0.30181454569440 0.30181454569440 0.67208737025415 15.999 3 O 0.69818545430560 0.69818545430560 0.32791262974585 15.999 4 O 0.19818545430560 0.80181454569440 0.17208737025415 15.999 5 O 0.80181454569440 0.19818545430560 0.17208737025415 15.999 6 O 0.80181454569440 0.19818545430560 0.82791262974585 15.999 7 O 0.31009995329666 0.31009995329666 0.00000000000000 15.999 8 O 0.18990004670335 0.81009995329665 0.50000000000000 15.999 9 O 0.81009995329665 0.18990004670335 0.50000000000000 15.999 10 O 0.68990004670335 0.68990004670335 0.00000000000000 15.999 11 O 0.30181454569440 0.30181454569440 0.32791262974585 15.999 12 O 0.19818545430560 0.80181454569440 0.82791262974585 15.999 13 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 14 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 15 Sb 0.50000000000000 0.50000000000000 0.83238436862101 121.760 16 Sb 0.00000000000000 0.00000000000000 0.33238436862101 121.760 17 Sb 0.50000000000000 0.50000000000000 0.16761563137899 121.760 18 Sb 0.00000000000000 0.00000000000000 0.66761563137899 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.388241799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.388241799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.681799999999999 Atomic positions (fractional): 1 O 0.34909272715280 0.34909272715280 0.33604368512707 15.999 > 1 2 O 0.84909272715280 0.34909272715280 0.33604368512707 15.999 > 1 3 O 0.34909272715280 0.84909272715280 0.33604368512707 15.999 > 1 4 O 0.84909272715280 0.84909272715280 0.33604368512707 15.999 > 1 5 O 0.34909272715280 0.34909272715280 0.83604368512707 15.999 > 1 6 O 0.84909272715280 0.34909272715280 0.83604368512707 15.999 > 1 7 O 0.34909272715280 0.84909272715280 0.83604368512707 15.999 > 1 8 O 0.84909272715280 0.84909272715280 0.83604368512707 15.999 > 1 9 O 0.15090727284720 0.15090727284720 0.33604368512707 15.999 > 9 10 O 0.65090727284720 0.15090727284720 0.33604368512707 15.999 > 9 11 O 0.15090727284720 0.65090727284720 0.33604368512707 15.999 > 9 12 O 0.65090727284720 0.65090727284720 0.33604368512707 15.999 > 9 13 O 0.15090727284720 0.15090727284720 0.83604368512707 15.999 > 9 14 O 0.65090727284720 0.15090727284720 0.83604368512707 15.999 > 9 15 O 0.15090727284720 0.65090727284720 0.83604368512707 15.999 > 9 16 O 0.65090727284720 0.65090727284720 0.83604368512707 15.999 > 9 17 O 0.34909272715280 0.34909272715280 0.16395631487293 15.999 > 17 18 O 0.84909272715280 0.34909272715280 0.16395631487293 15.999 > 17 19 O 0.34909272715280 0.84909272715280 0.16395631487293 15.999 > 17 20 O 0.84909272715280 0.84909272715280 0.16395631487293 15.999 > 17 21 O 0.34909272715280 0.34909272715280 0.66395631487293 15.999 > 17 22 O 0.84909272715280 0.34909272715280 0.66395631487293 15.999 > 17 23 O 0.34909272715280 0.84909272715280 0.66395631487293 15.999 > 17 24 O 0.84909272715280 0.84909272715280 0.66395631487293 15.999 > 17 25 O 0.09909272715280 0.40090727284720 0.08604368512707 15.999 > 25 26 O 0.59909272715280 0.40090727284720 0.08604368512707 15.999 > 25 27 O 0.09909272715280 0.90090727284720 0.08604368512707 15.999 > 25 28 O 0.59909272715280 0.90090727284720 0.08604368512707 15.999 > 25 29 O 0.09909272715280 0.40090727284720 0.58604368512707 15.999 > 25 30 O 0.59909272715280 0.40090727284720 0.58604368512707 15.999 > 25 31 O 0.09909272715280 0.90090727284720 0.58604368512707 15.999 > 25 32 O 0.59909272715280 0.90090727284720 0.58604368512707 15.999 > 25 33 O 0.40090727284720 0.09909272715280 0.08604368512707 15.999 > 33 34 O 0.90090727284720 0.09909272715280 0.08604368512707 15.999 > 33 35 O 0.40090727284720 0.59909272715280 0.08604368512707 15.999 > 33 36 O 0.90090727284720 0.59909272715280 0.08604368512707 15.999 > 33 37 O 0.40090727284720 0.09909272715280 0.58604368512707 15.999 > 33 38 O 0.90090727284720 0.09909272715280 0.58604368512707 15.999 > 33 39 O 0.40090727284720 0.59909272715280 0.58604368512707 15.999 > 33 40 O 0.90090727284720 0.59909272715280 0.58604368512707 15.999 > 33 41 O 0.40090727284720 0.09909272715280 0.41395631487293 15.999 > 41 42 O 0.90090727284720 0.09909272715280 0.41395631487293 15.999 > 41 43 O 0.40090727284720 0.59909272715280 0.41395631487293 15.999 > 41 44 O 0.90090727284720 0.59909272715280 0.41395631487293 15.999 > 41 45 O 0.40090727284720 0.09909272715280 0.91395631487293 15.999 > 41 46 O 0.90090727284720 0.09909272715280 0.91395631487293 15.999 > 41 47 O 0.40090727284720 0.59909272715280 0.91395631487293 15.999 > 41 48 O 0.90090727284720 0.59909272715280 0.91395631487293 15.999 > 41 49 O 0.15504997664833 0.15504997664833 0.00000000000000 15.999 > 49 50 O 0.65504997664833 0.15504997664833 0.00000000000000 15.999 > 49 51 O 0.15504997664833 0.65504997664833 0.00000000000000 15.999 > 49 52 O 0.65504997664833 0.65504997664833 0.00000000000000 15.999 > 49 53 O 0.15504997664833 0.15504997664833 0.50000000000000 15.999 > 49 54 O 0.65504997664833 0.15504997664833 0.50000000000000 15.999 > 49 55 O 0.15504997664833 0.65504997664833 0.50000000000000 15.999 > 49 56 O 0.65504997664833 0.65504997664833 0.50000000000000 15.999 > 49 57 O 0.09495002335167 0.40504997664833 0.25000000000000 15.999 > 57 58 O 0.59495002335167 0.40504997664833 0.25000000000000 15.999 > 57 59 O 0.09495002335167 0.90504997664833 0.25000000000000 15.999 > 57 60 O 0.59495002335167 0.90504997664833 0.25000000000000 15.999 > 57 61 O 0.09495002335167 0.40504997664833 0.75000000000000 15.999 > 57 62 O 0.59495002335167 0.40504997664833 0.75000000000000 15.999 > 57 63 O 0.09495002335167 0.90504997664833 0.75000000000000 15.999 > 57 64 O 0.59495002335167 0.90504997664833 0.75000000000000 15.999 > 57 65 O 0.40504997664833 0.09495002335167 0.25000000000000 15.999 > 65 66 O 0.90504997664833 0.09495002335167 0.25000000000000 15.999 > 65 67 O 0.40504997664833 0.59495002335167 0.25000000000000 15.999 > 65 68 O 0.90504997664833 0.59495002335167 0.25000000000000 15.999 > 65 69 O 0.40504997664833 0.09495002335167 0.75000000000000 15.999 > 65 70 O 0.90504997664833 0.09495002335167 0.75000000000000 15.999 > 65 71 O 0.40504997664833 0.59495002335167 0.75000000000000 15.999 > 65 72 O 0.90504997664833 0.59495002335167 0.75000000000000 15.999 > 65 73 O 0.34495002335167 0.34495002335167 0.00000000000000 15.999 > 73 74 O 0.84495002335167 0.34495002335167 0.00000000000000 15.999 > 73 75 O 0.34495002335167 0.84495002335167 0.00000000000000 15.999 > 73 76 O 0.84495002335167 0.84495002335167 0.00000000000000 15.999 > 73 77 O 0.34495002335167 0.34495002335167 0.50000000000000 15.999 > 73 78 O 0.84495002335167 0.34495002335167 0.50000000000000 15.999 > 73 79 O 0.34495002335167 0.84495002335167 0.50000000000000 15.999 > 73 80 O 0.84495002335167 0.84495002335167 0.50000000000000 15.999 > 73 81 O 0.15090727284720 0.15090727284720 0.16395631487293 15.999 > 81 82 O 0.65090727284720 0.15090727284720 0.16395631487293 15.999 > 81 83 O 0.15090727284720 0.65090727284720 0.16395631487293 15.999 > 81 84 O 0.65090727284720 0.65090727284720 0.16395631487293 15.999 > 81 85 O 0.15090727284720 0.15090727284720 0.66395631487293 15.999 > 81 86 O 0.65090727284720 0.15090727284720 0.66395631487293 15.999 > 81 87 O 0.15090727284720 0.65090727284720 0.66395631487293 15.999 > 81 88 O 0.65090727284720 0.65090727284720 0.66395631487293 15.999 > 81 89 O 0.09909272715280 0.40090727284720 0.41395631487293 15.999 > 89 90 O 0.59909272715280 0.40090727284720 0.41395631487293 15.999 > 89 91 O 0.09909272715280 0.90090727284720 0.41395631487293 15.999 > 89 92 O 0.59909272715280 0.90090727284720 0.41395631487293 15.999 > 89 93 O 0.09909272715280 0.40090727284720 0.91395631487293 15.999 > 89 94 O 0.59909272715280 0.40090727284720 0.91395631487293 15.999 > 89 95 O 0.09909272715280 0.90090727284720 0.91395631487293 15.999 > 89 96 O 0.59909272715280 0.90090727284720 0.91395631487293 15.999 > 89 97 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 97 98 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 97 99 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 97 100 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 97 101 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 97 102 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 97 103 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 97 104 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 97 105 Zn 0.25000000000000 0.25000000000000 0.25000000000000 65.380 > 105 106 Zn 0.75000000000000 0.25000000000000 0.25000000000000 65.380 > 105 107 Zn 0.25000000000000 0.75000000000000 0.25000000000000 65.380 > 105 108 Zn 0.75000000000000 0.75000000000000 0.25000000000000 65.380 > 105 109 Zn 0.25000000000000 0.25000000000000 0.75000000000000 65.380 > 105 110 Zn 0.75000000000000 0.25000000000000 0.75000000000000 65.380 > 105 111 Zn 0.25000000000000 0.75000000000000 0.75000000000000 65.380 > 105 112 Zn 0.75000000000000 0.75000000000000 0.75000000000000 65.380 > 105 113 Sb 0.25000000000000 0.25000000000000 0.41619218431051 121.760 > 113 114 Sb 0.75000000000000 0.25000000000000 0.41619218431051 121.760 > 113 115 Sb 0.25000000000000 0.75000000000000 0.41619218431051 121.760 > 113 116 Sb 0.75000000000000 0.75000000000000 0.41619218431051 121.760 > 113 117 Sb 0.25000000000000 0.25000000000000 0.91619218431051 121.760 > 113 118 Sb 0.75000000000000 0.25000000000000 0.91619218431051 121.760 > 113 119 Sb 0.25000000000000 0.75000000000000 0.91619218431051 121.760 > 113 120 Sb 0.75000000000000 0.75000000000000 0.91619218431051 121.760 > 113 121 Sb 0.00000000000000 0.00000000000000 0.16619218431051 121.760 > 121 122 Sb 0.50000000000000 0.00000000000000 0.16619218431051 121.760 > 121 123 Sb 0.00000000000000 0.50000000000000 0.16619218431051 121.760 > 121 124 Sb 0.50000000000000 0.50000000000000 0.16619218431051 121.760 > 121 125 Sb 0.00000000000000 0.00000000000000 0.66619218431051 121.760 > 121 126 Sb 0.50000000000000 0.00000000000000 0.66619218431051 121.760 > 121 127 Sb 0.00000000000000 0.50000000000000 0.66619218431051 121.760 > 121 128 Sb 0.50000000000000 0.50000000000000 0.66619218431051 121.760 > 121 129 Sb 0.25000000000000 0.25000000000000 0.08380781568949 121.760 > 129 130 Sb 0.75000000000000 0.25000000000000 0.08380781568949 121.760 > 129 131 Sb 0.25000000000000 0.75000000000000 0.08380781568949 121.760 > 129 132 Sb 0.75000000000000 0.75000000000000 0.08380781568949 121.760 > 129 133 Sb 0.25000000000000 0.25000000000000 0.58380781568949 121.760 > 129 134 Sb 0.75000000000000 0.25000000000000 0.58380781568949 121.760 > 129 135 Sb 0.25000000000000 0.75000000000000 0.58380781568949 121.760 > 129 136 Sb 0.75000000000000 0.75000000000000 0.58380781568949 121.760 > 129 137 Sb 0.00000000000000 0.00000000000000 0.33380781568949 121.760 > 137 138 Sb 0.50000000000000 0.00000000000000 0.33380781568949 121.760 > 137 139 Sb 0.00000000000000 0.50000000000000 0.33380781568949 121.760 > 137 140 Sb 0.50000000000000 0.50000000000000 0.33380781568949 121.760 > 137 141 Sb 0.00000000000000 0.00000000000000 0.83380781568949 121.760 > 137 142 Sb 0.50000000000000 0.00000000000000 0.83380781568949 121.760 > 137 143 Sb 0.00000000000000 0.50000000000000 0.83380781568949 121.760 > 137 144 Sb 0.50000000000000 0.50000000000000 0.83380781568949 121.760 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0266682 0.0000000 0.0000000 0.0000000 5.0266682 0.0000000 0.0000000 0.0000000 5.0644898 -------------------------- Born effective charges -------------------------- 1 O -2.1603481 -0.8983756 0.2984089 -0.8983756 -2.1603481 0.2984089 0.2133877 0.2133877 -1.9638788 2 O -2.1603481 -0.8983756 -0.2984089 -0.8983756 -2.1603481 -0.2984089 -0.2133877 -0.2133877 -1.9638788 3 O -2.1603481 -0.8983756 -0.2984089 -0.8983756 -2.1603481 -0.2984089 -0.2133877 -0.2133877 -1.9638788 4 O -2.1603481 0.8983756 0.2984089 0.8983756 -2.1603481 -0.2984089 0.2133877 -0.2133877 -1.9638788 5 O -2.1603481 0.8983756 -0.2984089 0.8983756 -2.1603481 0.2984089 -0.2133877 0.2133877 -1.9638788 6 O -2.1603481 0.8983756 0.2984089 0.8983756 -2.1603481 -0.2984089 0.2133877 -0.2133877 -1.9638788 7 O -1.6439428 -0.4171040 0.0000000 -0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 8 O -1.6439428 0.4171040 0.0000000 0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 9 O -1.6439428 0.4171040 0.0000000 0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 10 O -1.6439428 -0.4171040 0.0000000 -0.4171040 -1.6439428 0.0000000 0.0000000 0.0000000 -2.5246705 11 O -2.1603481 -0.8983756 0.2984089 -0.8983756 -2.1603481 0.2984089 0.2133877 0.2133877 -1.9638788 12 O -2.1603481 0.8983756 -0.2984089 0.8983756 -2.1603481 0.2984089 -0.2133877 0.2133877 -1.9638788 13 Zn 2.3858702 0.2611397 0.0000000 0.2611397 2.3858702 0.0000000 0.0000000 0.0000000 2.6496107 14 Zn 2.3858702 -0.2611397 0.0000000 -0.2611397 2.3858702 0.0000000 0.0000000 0.0000000 2.6496107 15 Sb 4.7717039 -0.6349248 0.0000000 -0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 16 Sb 4.7717039 0.6349248 0.0000000 0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 17 Sb 4.7717039 -0.6349248 0.0000000 -0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 18 Sb 4.7717039 0.6349248 0.0000000 0.6349248 4.7717039 0.0000000 0.0000000 0.0000000 5.1276227 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000013 (zzz) 0.00000013 (zzz) 0.00000013 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 5 ] 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: 0.70, Number of G-points: 297, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.606 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.295 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 14.237 ( 0.000 0.000 0.000) 0.000 14.237 ( 0.000 0.000 0.000) 0.000 14.818 ( 0.000 0.000 0.000) 0.000 15.118 ( 0.000 0.000 0.000) 0.000 16.294 ( 0.000 0.000 0.000) 0.000 16.294 ( 0.000 0.000 0.000) 0.000 17.040 ( 0.000 0.000 0.000) 0.000 17.040 ( 0.000 0.000 0.000) 0.000 17.313 ( 0.000 0.000 0.000) 0.000 17.937 ( 0.000 0.000 0.000) 0.000 18.890 ( 0.000 0.000 0.000) 0.000 18.890 ( 0.000 0.000 0.000) 0.000 19.064 ( 0.000 0.000 0.000) 0.000 19.064 ( 0.000 0.000 0.000) 0.000 19.184 ( 0.000 0.000 0.000) 0.000 19.488 ( 0.000 0.000 0.000) 0.000 19.816 ( 0.000 0.000 0.000) 0.000 20.524 ( 0.000 0.000 0.000) 0.000 20.859 ( 0.000 0.000 0.000) 0.000 22.642 ( 0.000 0.000 0.000) 0.000 23.102 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 35.049 0.000 0.000) 35.049 0.965 ( 49.393 0.000 0.000) 49.393 1.172 ( 60.000 0.000 0.000) 60.000 2.942 ( 12.888 0.000 0.000) 12.888 3.147 ( 5.878 0.000 0.000) 5.878 3.165 ( 7.791 0.000 0.000) 7.791 3.194 ( 0.707 0.000 0.000) 0.707 3.253 ( 7.247 0.000 0.000) 7.247 4.504 ( -4.415 0.000 0.000) 4.415 4.704 ( 2.263 0.000 0.000) 2.263 5.146 ( -5.110 0.000 0.000) 5.110 5.429 ( -7.047 0.000 0.000) 7.047 6.316 ( -6.605 0.000 0.000) 6.605 6.484 ( 10.177 0.000 0.000) 10.177 6.591 ( -1.453 0.000 0.000) 1.453 7.033 ( -4.114 0.000 0.000) 4.114 7.152 ( -10.119 0.000 0.000) 10.119 7.198 ( -6.316 0.000 0.000) 6.316 7.397 ( -2.684 0.000 0.000) 2.684 7.409 ( -5.273 0.000 0.000) 5.273 7.657 ( 14.613 0.000 0.000) 14.613 7.931 ( 7.027 0.000 0.000) 7.027 7.964 ( 7.899 0.000 0.000) 7.899 8.010 ( -3.906 0.000 0.000) 3.906 8.346 ( -2.889 0.000 0.000) 2.889 8.722 ( -6.645 0.000 0.000) 6.645 9.170 ( 1.582 0.000 0.000) 1.582 10.069 ( -0.576 0.000 0.000) 0.576 10.311 ( -2.851 0.000 0.000) 2.851 10.826 ( -1.364 0.000 0.000) 1.364 12.918 ( -6.053 0.000 0.000) 6.053 12.970 ( -2.024 0.000 0.000) 2.024 13.691 ( 9.637 0.000 0.000) 9.637 14.212 ( -2.412 0.000 0.000) 2.412 14.409 ( -2.762 0.000 0.000) 2.762 14.789 ( -2.915 0.000 0.000) 2.915 15.041 ( -7.543 0.000 0.000) 7.543 16.270 ( -2.589 0.000 0.000) 2.589 16.295 ( 0.137 0.000 0.000) 0.137 16.519 ( -33.588 0.000 0.000) 33.588 17.409 ( 6.099 0.000 0.000) 6.099 17.700 ( 19.881 0.000 0.000) 19.881 17.710 ( -20.242 0.000 0.000) 20.242 18.420 ( -31.803 0.000 0.000) 31.803 19.033 ( 11.770 0.000 0.000) 11.770 19.139 ( 7.561 0.000 0.000) 7.561 19.159 ( -2.486 0.000 0.000) 2.486 19.796 ( -1.803 0.000 0.000) 1.803 19.979 ( 33.933 0.000 0.000) 33.933 20.514 ( -0.960 0.000 0.000) 0.960 20.865 ( 0.529 0.000 0.000) 0.529 22.284 ( 3.845 0.000 0.000) 3.845 22.629 ( -1.355 0.000 0.000) 1.355 23.078 ( -2.381 0.000 0.000) 2.381 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 33.648 0.000 0.000) 33.648 1.904 ( 47.321 0.000 0.000) 47.321 2.313 ( 57.469 0.000 0.000) 57.469 3.163 ( 8.628 0.000 0.000) 8.628 3.216 ( 1.653 0.000 0.000) 1.653 3.311 ( 10.902 0.000 0.000) 10.902 3.388 ( 15.087 0.000 0.000) 15.087 3.552 ( 23.285 0.000 0.000) 23.285 4.377 ( -8.436 0.000 0.000) 8.436 4.783 ( 5.750 0.000 0.000) 5.750 5.012 ( -8.430 0.000 0.000) 8.430 5.236 ( -12.493 0.000 0.000) 12.493 6.113 ( -14.374 0.000 0.000) 14.374 6.551 ( -2.667 0.000 0.000) 2.667 6.709 ( 10.447 0.000 0.000) 10.447 6.953 ( -9.606 0.000 0.000) 9.606 6.964 ( -2.884 0.000 0.000) 2.884 7.063 ( -7.693 0.000 0.000) 7.693 7.256 ( -10.367 0.000 0.000) 10.367 7.327 ( -2.979 0.000 0.000) 2.979 7.895 ( -7.986 0.000 0.000) 7.986 7.967 ( 16.746 0.000 0.000) 16.746 8.109 ( 6.211 0.000 0.000) 6.211 8.147 ( 15.056 0.000 0.000) 15.056 8.268 ( -4.893 0.000 0.000) 4.893 8.542 ( -11.537 0.000 0.000) 11.537 9.198 ( 0.928 0.000 0.000) 0.928 10.064 ( 0.329 0.000 0.000) 0.329 10.226 ( -5.969 0.000 0.000) 5.969 10.781 ( -3.430 0.000 0.000) 3.430 12.802 ( -5.190 0.000 0.000) 5.190 12.916 ( -3.375 0.000 0.000) 3.375 13.904 ( 11.469 0.000 0.000) 11.469 14.151 ( -3.686 0.000 0.000) 3.686 14.333 ( -4.849 0.000 0.000) 4.849 14.712 ( -4.786 0.000 0.000) 4.786 14.855 ( -10.773 0.000 0.000) 10.773 15.876 ( -31.854 0.000 0.000) 31.854 16.191 ( -5.573 0.000 0.000) 5.573 16.302 ( 0.580 0.000 0.000) 0.580 17.256 ( -24.947 0.000 0.000) 24.947 17.566 ( 9.599 0.000 0.000) 9.599 17.844 ( -26.637 0.000 0.000) 26.637 17.977 ( 9.139 0.000 0.000) 9.139 19.097 ( -3.577 0.000 0.000) 3.577 19.259 ( 10.596 0.000 0.000) 10.596 19.328 ( 10.465 0.000 0.000) 10.465 19.747 ( -3.019 0.000 0.000) 3.019 20.493 ( -0.835 0.000 0.000) 0.835 20.624 ( 31.632 0.000 0.000) 31.632 20.877 ( 0.632 0.000 0.000) 0.632 22.385 ( 6.278 0.000 0.000) 6.278 22.589 ( -2.883 0.000 0.000) 2.883 23.019 ( -3.483 0.000 0.000) 3.483 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 31.159 0.000 0.000) 31.159 2.783 ( 42.792 0.000 0.000) 42.792 3.269 ( 4.403 0.000 0.000) 4.403 3.299 ( 14.334 0.000 0.000) 14.334 3.400 ( 45.896 0.000 0.000) 45.896 3.553 ( 13.079 0.000 0.000) 13.079 3.740 ( 20.961 0.000 0.000) 20.961 4.050 ( 25.985 0.000 0.000) 25.985 4.195 ( -9.456 0.000 0.000) 9.456 4.831 ( -10.024 0.000 0.000) 10.024 4.915 ( 7.378 0.000 0.000) 7.378 4.963 ( -15.049 0.000 0.000) 15.049 5.772 ( -20.191 0.000 0.000) 20.191 6.493 ( -3.203 0.000 0.000) 3.203 6.762 ( -6.036 0.000 0.000) 6.036 6.784 ( -8.147 0.000 0.000) 8.147 6.830 ( -12.272 0.000 0.000) 12.272 6.983 ( 0.440 0.000 0.000) 0.440 7.017 ( -13.986 0.000 0.000) 13.986 7.384 ( 9.796 0.000 0.000) 9.796 7.704 ( -11.496 0.000 0.000) 11.496 8.163 ( -5.830 0.000 0.000) 5.830 8.188 ( 1.772 0.000 0.000) 1.772 8.272 ( 3.285 0.000 0.000) 3.285 8.314 ( -0.147 0.000 0.000) 0.147 8.494 ( 20.049 0.000 0.000) 20.049 9.193 ( -1.604 0.000 0.000) 1.604 10.079 ( -9.194 0.000 0.000) 9.194 10.090 ( 2.417 0.000 0.000) 2.417 10.690 ( -5.935 0.000 0.000) 5.935 12.728 ( -2.475 0.000 0.000) 2.475 12.846 ( -3.615 0.000 0.000) 3.615 14.081 ( -3.176 0.000 0.000) 3.176 14.112 ( 9.717 0.000 0.000) 9.717 14.231 ( -5.451 0.000 0.000) 5.451 14.614 ( -5.104 0.000 0.000) 5.104 14.653 ( -9.441 0.000 0.000) 9.441 15.310 ( -26.158 0.000 0.000) 26.158 16.060 ( -7.514 0.000 0.000) 7.514 16.307 ( -0.995 0.000 0.000) 0.995 16.803 ( -19.855 0.000 0.000) 19.855 17.404 ( -18.908 0.000 0.000) 18.908 17.763 ( 10.324 0.000 0.000) 10.324 18.088 ( 3.207 0.000 0.000) 3.207 19.035 ( -2.334 0.000 0.000) 2.334 19.427 ( 6.694 0.000 0.000) 6.694 19.477 ( 3.463 0.000 0.000) 3.463 19.687 ( -3.074 0.000 0.000) 3.074 20.504 ( 2.540 0.000 0.000) 2.540 20.884 ( -0.063 0.000 0.000) 0.063 21.185 ( 26.143 0.000 0.000) 26.143 22.515 ( -0.237 0.000 0.000) 0.237 22.515 ( 2.316 0.000 0.000) 2.316 22.951 ( -3.352 0.000 0.000) 3.352 ======================= Grid point 4 (5/63) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 27.550 0.000 0.000) 27.550 3.337 ( 8.986 0.000 0.000) 8.986 3.464 ( 7.401 0.000 0.000) 7.401 3.599 ( 34.323 0.000 0.000) 34.323 3.693 ( -4.156 0.000 0.000) 4.156 4.130 ( 8.067 0.000 0.000) 8.067 4.180 ( 23.763 0.000 0.000) 23.763 4.253 ( 28.969 0.000 0.000) 28.969 4.526 ( 21.897 0.000 0.000) 21.897 4.634 ( -9.854 0.000 0.000) 9.854 4.715 ( -2.609 0.000 0.000) 2.609 5.031 ( 3.178 0.000 0.000) 3.178 5.352 ( -22.676 0.000 0.000) 22.676 6.402 ( -10.028 0.000 0.000) 10.028 6.553 ( -12.568 0.000 0.000) 12.568 6.571 ( -10.767 0.000 0.000) 10.767 6.628 ( -8.050 0.000 0.000) 8.050 6.741 ( -13.568 0.000 0.000) 13.568 7.024 ( 3.317 0.000 0.000) 3.317 7.468 ( -12.190 0.000 0.000) 12.190 7.630 ( 13.718 0.000 0.000) 13.718 8.049 ( -5.700 0.000 0.000) 5.700 8.067 ( -9.602 0.000 0.000) 9.602 8.174 ( -3.147 0.000 0.000) 3.147 8.586 ( 14.016 0.000 0.000) 14.016 8.895 ( 20.717 0.000 0.000) 20.717 9.133 ( -4.636 0.000 0.000) 4.636 9.871 ( -12.264 0.000 0.000) 12.264 10.157 ( 4.513 0.000 0.000) 4.513 10.556 ( -7.719 0.000 0.000) 7.719 12.703 ( -0.294 0.000 0.000) 0.294 12.782 ( -2.876 0.000 0.000) 2.876 14.037 ( -1.238 0.000 0.000) 1.238 14.134 ( -4.237 0.000 0.000) 4.237 14.272 ( 6.743 0.000 0.000) 6.743 14.509 ( -5.091 0.000 0.000) 5.091 14.522 ( -4.234 0.000 0.000) 4.234 14.874 ( -18.709 0.000 0.000) 18.709 15.925 ( -5.707 0.000 0.000) 5.707 16.180 ( -12.239 0.000 0.000) 12.239 16.603 ( -0.093 0.000 0.000) 0.093 17.096 ( -13.364 0.000 0.000) 13.364 17.948 ( 8.329 0.000 0.000) 8.329 18.124 ( 0.809 0.000 0.000) 0.809 19.025 ( 1.698 0.000 0.000) 1.698 19.445 ( -6.110 0.000 0.000) 6.110 19.523 ( 3.397 0.000 0.000) 3.397 19.634 ( -2.304 0.000 0.000) 2.304 20.594 ( 6.213 0.000 0.000) 6.213 20.869 ( -1.661 0.000 0.000) 1.661 21.635 ( 20.312 0.000 0.000) 20.312 22.399 ( -7.364 0.000 0.000) 7.364 22.643 ( 6.108 0.000 0.000) 6.108 22.890 ( -3.084 0.000 0.000) 3.084 ======================= Grid point 5 (6/63) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 23.185 0.000 0.000) 23.185 3.444 ( -17.973 0.000 0.000) 17.973 3.491 ( 7.042 0.000 0.000) 7.042 3.559 ( 1.104 0.000 0.000) 1.104 4.171 ( 21.046 0.000 0.000) 21.046 4.362 ( -5.174 0.000 0.000) 5.174 4.441 ( 19.959 0.000 0.000) 19.959 4.490 ( -2.698 0.000 0.000) 2.698 4.569 ( -3.801 0.000 0.000) 3.801 4.610 ( 17.000 0.000 0.000) 17.000 4.925 ( -18.777 0.000 0.000) 18.777 4.980 ( -9.190 0.000 0.000) 9.190 5.312 ( 38.200 0.000 0.000) 38.200 5.978 ( -29.728 0.000 0.000) 29.728 6.433 ( -2.101 0.000 0.000) 2.101 6.468 ( 0.131 0.000 0.000) 0.131 6.484 ( -6.128 0.000 0.000) 6.128 6.533 ( -7.056 0.000 0.000) 7.056 7.110 ( 5.719 0.000 0.000) 5.719 7.255 ( -9.417 0.000 0.000) 9.417 7.879 ( 11.581 0.000 0.000) 11.581 7.946 ( -2.626 0.000 0.000) 2.626 7.957 ( -3.260 0.000 0.000) 3.260 8.068 ( -7.765 0.000 0.000) 7.765 8.830 ( 11.064 0.000 0.000) 11.064 9.013 ( -7.810 0.000 0.000) 7.810 9.277 ( 18.456 0.000 0.000) 18.456 9.604 ( -15.317 0.000 0.000) 15.317 10.263 ( 6.410 0.000 0.000) 6.410 10.402 ( -7.793 0.000 0.000) 7.793 12.710 ( 0.935 0.000 0.000) 0.935 12.737 ( -1.840 0.000 0.000) 1.840 14.035 ( 0.935 0.000 0.000) 0.935 14.069 ( -2.544 0.000 0.000) 2.544 14.377 ( 4.275 0.000 0.000) 4.275 14.449 ( -3.480 0.000 0.000) 3.480 14.473 ( 1.844 0.000 0.000) 1.844 14.591 ( -10.390 0.000 0.000) 10.390 15.868 ( 0.451 0.000 0.000) 0.451 15.957 ( -8.745 0.000 0.000) 8.745 16.693 ( 7.589 0.000 0.000) 7.589 16.869 ( -10.360 0.000 0.000) 10.360 18.072 ( 4.349 0.000 0.000) 4.349 18.122 ( -1.080 0.000 0.000) 1.080 19.111 ( 7.120 0.000 0.000) 7.120 19.282 ( -9.649 0.000 0.000) 9.649 19.569 ( 1.668 0.000 0.000) 1.668 19.598 ( -1.515 0.000 0.000) 1.515 20.718 ( 6.029 0.000 0.000) 6.029 20.816 ( -3.903 0.000 0.000) 3.903 21.976 ( 15.080 0.000 0.000) 15.080 22.225 ( -10.754 0.000 0.000) 10.754 22.748 ( 4.729 0.000 0.000) 4.729 22.827 ( -3.535 0.000 0.000) 3.535 ======================= Grid point 12 (7/63) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 17.077 17.077 0.000) 24.151 0.965 ( 24.484 24.484 0.000) 34.625 2.022 ( 50.449 50.449 0.000) 71.345 3.023 ( 5.658 5.658 0.000) 8.001 3.146 ( 2.693 2.693 0.000) 3.809 3.267 ( 3.843 3.843 0.000) 5.434 3.292 ( 10.192 10.192 0.000) 14.413 3.297 ( 10.208 10.208 0.000) 14.437 4.473 ( -3.578 -3.578 0.000) 5.060 4.711 ( 1.295 1.295 0.000) 1.831 5.205 ( -13.216 -13.216 0.000) 18.690 5.252 ( 2.645 2.645 0.000) 3.741 6.345 ( -5.579 -5.579 0.000) 7.890 6.438 ( 2.998 2.998 0.000) 4.240 6.579 ( -1.312 -1.312 0.000) 1.855 7.071 ( -9.203 -9.203 0.000) 13.015 7.098 ( -3.029 -3.029 0.000) 4.284 7.112 ( 1.326 1.326 0.000) 1.876 7.430 ( -1.958 -1.958 0.000) 2.769 7.454 ( 2.283 2.283 0.000) 3.228 7.679 ( 5.452 5.452 0.000) 7.711 7.840 ( -1.492 -1.492 0.000) 2.110 7.946 ( -3.116 -3.116 0.000) 4.406 8.121 ( 9.567 9.567 0.000) 13.530 8.304 ( -3.338 -3.338 0.000) 4.721 8.754 ( -2.082 -2.082 0.000) 2.945 9.180 ( 0.859 0.859 0.000) 1.215 10.040 ( -1.368 -1.368 0.000) 1.935 10.286 ( -2.578 -2.578 0.000) 3.646 10.817 ( -1.027 -1.027 0.000) 1.452 12.817 ( -6.541 -6.541 0.000) 9.250 13.013 ( 1.131 1.131 0.000) 1.600 13.764 ( 7.023 7.023 0.000) 9.931 14.261 ( 1.190 1.190 0.000) 1.683 14.309 ( -6.245 -6.245 0.000) 8.831 14.762 ( -2.665 -2.665 0.000) 3.769 14.955 ( -8.106 -8.106 0.000) 11.464 16.240 ( -2.941 -2.941 0.000) 4.159 16.298 ( 0.206 0.206 0.000) 0.292 16.453 ( -18.380 -18.380 0.000) 25.994 17.066 ( 1.295 1.295 0.000) 1.832 17.475 ( -19.349 -19.349 0.000) 27.364 18.189 ( 16.872 16.872 0.000) 23.861 18.442 ( -10.898 -10.898 0.000) 15.412 18.872 ( -0.805 -0.805 0.000) 1.139 19.060 ( -0.190 -0.190 0.000) 0.269 19.142 ( -1.505 -1.505 0.000) 2.129 19.777 ( -1.883 -1.883 0.000) 2.663 20.300 ( 25.777 25.777 0.000) 36.454 20.490 ( -1.125 -1.125 0.000) 1.591 20.870 ( 0.539 0.539 0.000) 0.762 22.332 ( 3.782 3.782 0.000) 5.348 22.617 ( -1.324 -1.324 0.000) 1.872 23.056 ( -2.170 -2.170 0.000) 3.068 ======================= Grid point 13 (8/63) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 47.482 -23.709 0.000) 53.072 1.505 ( 29.620 14.839 0.000) 33.129 2.986 ( 46.591 42.169 0.000) 62.841 3.103 ( 4.857 -1.314 0.000) 5.032 3.255 ( 8.403 -1.684 0.000) 8.570 3.344 ( 5.373 8.475 0.000) 10.034 3.548 ( 16.055 12.264 0.000) 20.203 3.662 ( 24.464 12.071 0.000) 27.280 4.360 ( -7.892 -2.019 0.000) 8.146 4.772 ( 5.070 -0.526 0.000) 5.097 4.905 ( -15.115 -11.565 0.000) 19.032 5.277 ( -2.589 5.336 0.000) 5.931 6.077 ( -18.470 -6.639 0.000) 19.627 6.542 ( -2.368 -0.954 0.000) 2.553 6.574 ( 6.146 -5.359 0.000) 8.154 6.856 ( -12.678 -13.765 0.000) 18.714 7.087 ( -2.888 6.105 0.000) 6.753 7.092 ( 2.355 7.884 0.000) 8.228 7.318 ( -8.296 2.890 0.000) 8.785 7.397 ( -6.658 7.395 0.000) 9.950 7.754 ( -2.409 -10.177 0.000) 10.458 7.925 ( 8.499 -10.809 0.000) 13.750 8.003 ( 11.049 2.230 0.000) 11.272 8.221 ( -5.124 -3.407 0.000) 6.153 8.320 ( 11.451 9.894 0.000) 15.133 8.619 ( -10.704 3.761 0.000) 11.346 9.193 ( 0.149 -0.654 0.000) 0.671 10.035 ( 0.801 -2.141 0.000) 2.285 10.209 ( -5.522 -1.856 0.000) 5.826 10.780 ( -2.925 -0.158 0.000) 2.929 12.704 ( -4.655 -6.300 0.000) 7.834 13.002 ( -2.020 5.070 0.000) 5.458 13.934 ( 9.776 3.093 0.000) 10.254 14.141 ( -7.621 -3.435 0.000) 8.359 14.298 ( -0.311 -0.926 0.000) 0.977 14.692 ( -4.373 -2.004 0.000) 4.810 14.765 ( -10.530 -7.846 0.000) 13.132 15.957 ( -27.831 5.051 0.000) 28.286 16.154 ( -5.925 -3.654 0.000) 6.961 16.305 ( 0.540 0.250 0.000) 0.595 17.082 ( -19.801 -13.480 0.000) 23.955 17.276 ( 14.202 -15.926 0.000) 21.338 18.000 ( -26.861 10.505 0.000) 28.842 18.301 ( -1.064 18.649 0.000) 18.679 19.054 ( 12.491 -16.717 0.000) 20.868 19.076 ( -2.377 -2.041 0.000) 3.134 19.225 ( 10.678 -7.738 0.000) 13.187 19.728 ( -3.099 -2.013 0.000) 3.696 20.482 ( 0.360 -0.459 0.000) 0.583 20.820 ( 26.440 17.072 0.000) 31.473 20.883 ( 0.657 0.538 0.000) 0.849 22.418 ( 5.092 2.822 0.000) 5.822 22.577 ( -2.811 -1.221 0.000) 3.064 23.001 ( -3.321 -1.793 0.000) 3.774 ======================= Grid point 14 (9/63) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 28.944 9.527 0.000) 30.472 2.335 ( 48.120 -29.267 0.000) 56.321 3.152 ( 3.424 -5.352 0.000) 6.353 3.461 ( 12.404 -5.548 0.000) 13.588 3.465 ( 7.274 9.103 0.000) 11.652 3.885 ( 41.108 33.994 0.000) 53.343 3.895 ( 18.498 11.933 0.000) 22.013 4.166 ( 26.325 12.066 0.000) 28.959 4.189 ( -8.154 -0.523 0.000) 8.171 4.638 ( -11.501 -11.749 0.000) 16.442 4.895 ( 7.083 -1.630 0.000) 7.268 5.158 ( -9.259 12.426 0.000) 15.496 5.673 ( -22.586 -10.787 0.000) 25.029 6.491 ( -3.103 -0.495 0.000) 3.143 6.562 ( -17.506 -20.891 0.000) 27.256 6.619 ( -1.222 -2.099 0.000) 2.429 7.048 ( -0.519 5.993 0.000) 6.015 7.052 ( -10.056 15.037 0.000) 18.090 7.131 ( -10.751 5.265 0.000) 11.971 7.381 ( 8.461 -0.130 0.000) 8.462 7.643 ( -7.519 -5.311 0.000) 9.205 8.071 ( 4.927 -10.084 0.000) 11.223 8.108 ( -6.268 -3.488 0.000) 7.173 8.271 ( 14.238 -1.242 0.000) 14.292 8.377 ( -13.029 4.389 0.000) 13.748 8.588 ( 16.523 7.830 0.000) 18.284 9.175 ( -2.095 -1.850 0.000) 2.795 10.071 ( -8.710 -0.922 0.000) 8.759 10.071 ( 2.911 -1.573 0.000) 3.308 10.699 ( -5.571 0.786 0.000) 5.627 12.646 ( -1.305 -4.962 0.000) 5.131 12.946 ( -3.541 6.780 0.000) 7.649 14.015 ( -4.925 -5.856 0.000) 7.652 14.118 ( 8.851 0.618 0.000) 8.873 14.270 ( -2.477 3.451 0.000) 4.248 14.579 ( -8.130 -5.907 0.000) 10.049 14.602 ( -4.671 -1.154 0.000) 4.812 15.437 ( -25.322 10.389 0.000) 27.370 16.021 ( -7.292 -3.680 0.000) 8.168 16.310 ( -0.830 0.279 0.000) 0.876 16.741 ( -14.367 -4.956 0.000) 15.198 17.515 ( -22.265 9.335 0.000) 24.143 17.549 ( 13.543 -15.182 0.000) 20.345 18.249 ( -3.437 9.330 0.000) 9.943 19.031 ( -1.641 -0.232 0.000) 1.657 19.268 ( 9.167 -14.556 0.000) 17.202 19.387 ( 4.405 -7.968 0.000) 9.104 19.664 ( -3.358 -2.417 0.000) 4.137 20.513 ( 3.191 1.026 0.000) 3.352 20.891 ( -0.046 0.530 0.000) 0.532 21.297 ( 22.614 10.288 0.000) 24.844 22.506 ( -4.656 -1.007 0.000) 4.763 22.524 ( 5.713 0.773 0.000) 5.765 22.935 ( -3.368 -1.660 0.000) 3.755 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 26.048 6.084 0.000) 26.749 3.211 ( 29.876 -17.552 0.000) 34.651 3.256 ( 18.685 -15.129 0.000) 24.042 3.591 ( 4.931 4.622 0.000) 6.759 3.652 ( 1.441 -3.925 0.000) 4.181 4.019 ( 3.308 -4.989 0.000) 5.986 4.348 ( 20.476 10.641 0.000) 23.076 4.350 ( 1.328 0.507 0.000) 1.422 4.519 ( 10.154 6.339 0.000) 11.970 4.799 ( 31.615 20.038 0.000) 37.430 4.938 ( -12.438 14.821 0.000) 19.349 5.011 ( 3.233 -1.835 0.000) 3.717 5.223 ( -23.054 -12.517 0.000) 26.233 6.171 ( -20.863 -23.470 0.000) 31.402 6.460 ( -0.658 -0.339 0.000) 0.740 6.559 ( -4.026 3.349 0.000) 5.237 6.806 ( -13.154 12.640 0.000) 18.243 6.902 ( -12.633 7.270 0.000) 14.575 7.075 ( 3.023 5.022 0.000) 5.862 7.484 ( -8.704 1.445 0.000) 8.823 7.608 ( 12.708 -2.211 0.000) 12.899 7.985 ( -5.922 -3.637 0.000) 6.950 8.099 ( -1.775 -7.346 0.000) 7.557 8.121 ( -11.436 2.391 0.000) 11.683 8.556 ( 13.728 -3.018 0.000) 14.056 8.941 ( 19.046 4.440 0.000) 19.557 9.108 ( -4.908 -2.553 0.000) 5.532 9.872 ( -11.803 0.015 0.000) 11.803 10.147 ( 4.947 -0.824 0.000) 5.016 10.568 ( -7.737 1.230 0.000) 7.834 12.652 ( 1.791 -2.507 0.000) 3.081 12.871 ( -4.161 6.379 0.000) 7.616 13.963 ( -0.331 -4.810 0.000) 4.821 14.203 ( -4.555 4.316 0.000) 6.275 14.267 ( 6.404 -0.615 0.000) 6.434 14.472 ( -2.296 -2.030 0.000) 3.065 14.517 ( -4.010 -0.486 0.000) 4.039 14.994 ( -19.977 10.233 0.000) 22.445 15.900 ( -4.392 -1.907 0.000) 4.788 16.203 ( -10.579 2.053 0.000) 10.777 16.603 ( 0.812 -0.022 0.000) 0.812 17.150 ( -15.690 5.027 0.000) 16.475 17.790 ( 11.130 -12.357 0.000) 16.631 18.179 ( -3.781 1.824 0.000) 4.198 19.029 ( 1.770 0.466 0.000) 1.831 19.381 ( -4.502 -5.934 0.000) 7.449 19.408 ( 5.511 -10.902 0.000) 12.216 19.602 ( -2.973 -3.358 0.000) 4.485 20.606 ( 5.964 1.126 0.000) 6.069 20.875 ( -1.708 0.476 0.000) 1.774 21.691 ( 18.057 5.359 0.000) 18.835 22.393 ( -7.042 -0.563 0.000) 7.064 22.633 ( 5.383 -0.971 0.000) 5.470 22.872 ( -3.227 -1.842 0.000) 3.715 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 22.043 3.565 0.000) 22.330 3.385 ( 8.617 -7.912 0.000) 11.698 3.458 ( -16.731 1.372 0.000) 16.787 3.538 ( -5.488 -4.474 0.000) 7.080 4.017 ( 32.818 -16.679 0.000) 36.813 4.291 ( 20.162 -11.381 0.000) 23.152 4.379 ( 1.665 5.842 0.000) 6.075 4.556 ( -6.264 -0.056 0.000) 6.264 4.662 ( -4.395 -2.290 0.000) 4.956 4.668 ( -13.289 12.507 0.000) 18.249 4.820 ( -1.156 -3.691 0.000) 3.868 5.008 ( -6.887 0.808 0.000) 6.935 5.383 ( 25.341 7.142 0.000) 26.328 5.789 ( -18.556 -13.799 0.000) 23.125 6.494 ( 4.870 3.010 0.000) 5.725 6.509 ( 0.189 7.704 0.000) 7.706 6.592 ( -8.165 9.915 0.000) 12.845 6.659 ( -11.578 7.364 0.000) 13.721 7.165 ( 6.224 5.519 0.000) 8.319 7.313 ( -8.716 5.719 0.000) 10.424 7.839 ( 10.744 -4.011 0.000) 11.468 7.908 ( -1.146 -3.166 0.000) 3.367 7.953 ( -5.663 -1.133 0.000) 5.775 8.012 ( -6.956 -5.542 0.000) 8.894 8.798 ( 11.135 -3.249 0.000) 11.600 8.984 ( -7.996 -2.997 0.000) 8.539 9.300 ( 17.603 2.271 0.000) 17.749 9.615 ( -14.787 0.976 0.000) 14.819 10.262 ( 6.900 0.061 0.000) 6.900 10.410 ( -8.172 0.907 0.000) 8.222 12.708 ( 3.718 0.818 0.000) 3.806 12.787 ( -4.338 4.147 0.000) 6.001 14.000 ( 3.955 -1.710 0.000) 4.309 14.099 ( -5.734 1.686 0.000) 5.977 14.369 ( 4.381 -0.841 0.000) 4.461 14.445 ( -3.625 -0.466 0.000) 3.655 14.500 ( 5.194 3.205 0.000) 6.104 14.675 ( -12.840 7.385 0.000) 14.812 15.876 ( 2.243 1.125 0.000) 2.509 15.991 ( -9.362 3.239 0.000) 9.907 16.702 ( 8.011 0.848 0.000) 8.056 16.891 ( -11.386 2.140 0.000) 11.585 17.974 ( 7.798 -8.650 0.000) 11.646 18.096 ( -5.044 -3.940 0.000) 6.400 19.106 ( 6.105 -0.462 0.000) 6.123 19.250 ( -8.005 -2.967 0.000) 8.537 19.491 ( 3.351 -7.602 0.000) 8.308 19.548 ( -2.706 -5.060 0.000) 5.738 20.725 ( 5.843 0.593 0.000) 5.873 20.821 ( -3.931 0.409 0.000) 3.952 21.999 ( 13.774 2.178 0.000) 13.945 22.229 ( -10.076 0.363 0.000) 10.082 22.729 ( 4.481 -1.891 0.000) 4.863 22.807 ( -3.600 -2.062 0.000) 4.149 ======================= Grid point 24 (12/63) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 15.968 15.968 0.000) 22.582 1.875 ( 22.192 22.192 0.000) 31.384 3.066 ( -0.868 -0.868 0.000) 1.228 3.271 ( 3.472 3.472 0.000) 4.911 3.490 ( 8.048 8.048 0.000) 11.381 3.830 ( 16.425 16.425 0.000) 23.228 3.837 ( 41.095 41.095 0.000) 58.117 4.009 ( 22.411 22.411 0.000) 31.694 4.286 ( -5.628 -5.628 0.000) 7.959 4.642 ( -13.407 -13.407 0.000) 18.961 4.789 ( 2.680 2.680 0.000) 3.789 5.382 ( 3.734 3.734 0.000) 5.281 5.800 ( -20.062 -20.062 0.000) 28.372 6.515 ( -1.814 -1.814 0.000) 2.565 6.518 ( -20.552 -20.552 0.000) 29.065 6.595 ( 4.872 4.872 0.000) 6.890 7.175 ( 1.680 1.680 0.000) 2.375 7.214 ( 5.868 5.868 0.000) 8.299 7.309 ( -4.263 -4.263 0.000) 6.029 7.546 ( 1.829 1.829 0.000) 2.587 7.595 ( -5.089 -5.089 0.000) 7.197 7.740 ( -3.749 -3.749 0.000) 5.301 8.078 ( 6.227 6.227 0.000) 8.806 8.147 ( -4.404 -4.404 0.000) 6.228 8.521 ( 11.048 11.048 0.000) 15.624 8.599 ( -6.138 -6.138 0.000) 8.681 9.170 ( -1.694 -1.694 0.000) 2.395 10.013 ( 0.293 0.293 0.000) 0.414 10.150 ( -4.305 -4.305 0.000) 6.088 10.767 ( -1.484 -1.484 0.000) 2.099 12.606 ( -3.452 -3.452 0.000) 4.882 13.069 ( 1.601 1.601 0.000) 2.264 14.012 ( -7.624 -7.624 0.000) 10.783 14.020 ( 5.574 5.574 0.000) 7.883 14.324 ( 1.996 1.996 0.000) 2.823 14.602 ( -8.147 -8.147 0.000) 11.521 14.639 ( -3.267 -3.267 0.000) 4.620 15.925 ( -10.205 -10.205 0.000) 14.432 16.056 ( -6.122 -6.122 0.000) 8.658 16.312 ( 0.529 0.529 0.000) 0.748 16.833 ( -11.462 -11.462 0.000) 16.209 17.134 ( 2.087 2.087 0.000) 2.951 18.035 ( -10.810 -10.810 0.000) 15.288 18.469 ( -2.300 -2.300 0.000) 3.253 18.839 ( -0.724 -0.724 0.000) 1.024 19.054 ( -0.064 -0.064 0.000) 0.090 19.152 ( 1.817 1.817 0.000) 2.569 19.673 ( -3.545 -3.545 0.000) 5.013 20.493 ( 1.654 1.654 0.000) 2.339 20.894 ( 0.525 0.525 0.000) 0.742 21.182 ( 18.950 18.950 0.000) 26.799 22.477 ( 3.132 3.132 0.000) 4.429 22.541 ( -2.578 -2.578 0.000) 3.646 22.953 ( -3.030 -3.030 0.000) 4.285 ======================= Grid point 25 (13/63) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 39.498 -14.072 0.000) 41.929 2.327 ( 23.720 15.580 0.000) 28.379 3.066 ( 1.002 -3.542 0.000) 3.682 3.387 ( 8.286 -1.798 0.000) 8.478 3.621 ( 4.258 5.591 0.000) 7.028 4.089 ( -1.810 2.265 0.000) 2.899 4.227 ( 11.595 9.522 0.000) 15.004 4.356 ( -0.189 0.488 0.000) 0.523 4.458 ( 20.830 19.057 0.000) 28.232 4.665 ( 30.467 27.367 0.000) 40.954 4.875 ( 5.725 0.004 0.000) 5.725 5.367 ( -23.721 -19.714 0.000) 30.844 5.383 ( -4.062 10.153 0.000) 10.936 6.077 ( -24.115 -28.601 0.000) 37.411 6.477 ( -1.869 -1.088 0.000) 2.162 6.675 ( 2.457 6.238 0.000) 6.704 7.154 ( -5.554 0.701 0.000) 5.598 7.190 ( -4.076 4.028 0.000) 5.731 7.318 ( -3.923 10.206 0.000) 10.934 7.394 ( -1.979 3.407 0.000) 3.941 7.538 ( -1.821 -4.784 0.000) 5.119 7.838 ( 6.688 -13.525 0.000) 15.089 8.046 ( -5.927 -3.051 0.000) 6.666 8.249 ( 10.928 -0.345 0.000) 10.933 8.404 ( -13.021 -2.435 0.000) 13.247 8.760 ( 13.802 9.620 0.000) 16.824 9.123 ( -3.320 -3.477 0.000) 4.807 10.038 ( -7.333 -2.643 0.000) 7.795 10.049 ( 3.312 -0.202 0.000) 3.318 10.713 ( -4.265 0.426 0.000) 4.286 12.580 ( 0.868 -1.464 0.000) 1.702 13.064 ( -1.947 5.010 0.000) 5.375 13.900 ( -3.275 -4.991 0.000) 5.970 14.136 ( 6.057 1.184 0.000) 6.172 14.343 ( -0.787 3.626 0.000) 3.711 14.473 ( -4.385 -4.578 0.000) 6.339 14.572 ( -3.548 -1.871 0.000) 4.011 15.605 ( -20.571 4.749 0.000) 21.112 15.939 ( -5.327 -4.174 0.000) 6.767 16.320 ( -0.340 0.763 0.000) 0.836 16.650 ( -7.043 -4.195 0.000) 8.198 17.292 ( 11.930 -9.650 0.000) 15.344 17.670 ( -22.440 4.225 0.000) 22.835 18.327 ( -9.566 -2.155 0.000) 9.806 18.965 ( 9.887 -13.799 0.000) 16.975 19.039 ( -0.717 1.195 0.000) 1.394 19.237 ( 3.842 -6.014 0.000) 7.136 19.595 ( -4.332 -4.520 0.000) 6.261 20.545 ( 3.734 2.253 0.000) 4.361 20.899 ( -0.240 0.161 0.000) 0.289 21.527 ( 16.422 12.379 0.000) 20.565 22.475 ( -4.204 -2.123 0.000) 4.710 22.539 ( 3.364 0.748 0.000) 3.446 22.889 ( -3.486 -3.036 0.000) 4.623 ======================= Grid point 26 (14/63) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 44.576 -24.722 0.000) 50.972 2.774 ( 22.148 10.305 0.000) 24.428 3.112 ( 4.038 -5.918 0.000) 7.165 3.562 ( 7.216 -4.671 0.000) 8.596 3.596 ( -6.848 -5.039 0.000) 8.502 3.946 ( -5.718 -3.012 0.000) 6.463 4.401 ( 8.784 8.175 0.000) 12.000 4.560 ( 17.103 10.847 0.000) 20.253 4.734 ( 0.875 11.852 0.000) 11.885 4.900 ( -22.239 -17.367 0.000) 28.217 4.988 ( 3.597 -2.399 0.000) 4.323 5.208 ( -8.940 11.398 0.000) 14.485 5.239 ( 19.955 21.926 0.000) 29.648 5.684 ( -11.716 -22.147 0.000) 25.055 6.460 ( 0.921 -0.097 0.000) 0.926 6.691 ( -0.142 9.176 0.000) 9.177 6.970 ( -11.089 0.290 0.000) 11.093 7.058 ( -14.413 12.713 0.000) 19.219 7.196 ( 3.042 6.618 0.000) 7.283 7.508 ( -1.554 0.568 0.000) 1.654 7.550 ( 9.945 -3.451 0.000) 10.527 7.911 ( 0.581 -11.548 0.000) 11.563 7.922 ( -6.528 -2.701 0.000) 7.065 8.131 ( -14.026 -1.955 0.000) 14.161 8.481 ( 12.315 -4.276 0.000) 13.037 9.037 ( -5.695 -4.721 0.000) 7.397 9.051 ( 15.901 6.582 0.000) 17.210 9.866 ( -10.429 -0.850 0.000) 10.463 10.139 ( 5.916 0.352 0.000) 5.926 10.600 ( -7.279 1.933 0.000) 7.531 12.637 ( 4.761 1.143 0.000) 4.896 12.998 ( -4.742 6.518 0.000) 8.061 13.896 ( 2.817 -1.511 0.000) 3.197 14.246 ( 5.220 -1.608 0.000) 5.462 14.270 ( -5.982 2.712 0.000) 6.568 14.466 ( 3.234 1.214 0.000) 3.454 14.503 ( -3.631 -1.038 0.000) 3.776 15.194 ( -20.777 8.894 0.000) 22.601 15.875 ( -0.727 -0.194 0.000) 0.752 16.250 ( -7.446 2.823 0.000) 7.963 16.600 ( 2.577 -0.336 0.000) 2.599 17.259 ( -19.072 5.160 0.000) 19.758 17.538 ( 12.686 -12.583 0.000) 17.868 18.143 ( -9.246 -5.671 0.000) 10.847 19.044 ( 1.392 1.009 0.000) 1.719 19.151 ( 8.755 -14.149 0.000) 16.638 19.255 ( -1.877 -6.072 0.000) 6.356 19.508 ( -4.694 -6.170 0.000) 7.753 20.634 ( 5.199 1.663 0.000) 5.459 20.880 ( -1.838 -0.160 0.000) 1.845 21.816 ( 13.449 6.934 0.000) 15.131 22.376 ( -6.154 -1.285 0.000) 6.287 22.608 ( 3.656 -1.541 0.000) 3.967 22.820 ( -3.560 -3.363 0.000) 4.897 ======================= Grid point 27 (15/63) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 18.919 6.052 0.000) 19.864 3.227 ( 7.745 -8.056 0.000) 11.175 3.395 ( -6.393 -9.631 0.000) 11.560 3.492 ( -12.991 1.976 0.000) 13.141 3.594 ( 39.221 -24.838 0.000) 46.424 4.061 ( 16.004 -11.722 0.000) 19.838 4.350 ( -33.984 -15.634 0.000) 37.408 4.440 ( -21.720 -15.584 0.000) 26.732 4.658 ( 15.139 14.312 0.000) 20.834 4.872 ( 11.868 4.902 0.000) 12.840 4.954 ( -14.241 15.963 0.000) 21.392 5.016 ( -2.527 0.268 0.000) 2.542 5.557 ( 9.986 8.468 0.000) 13.093 5.642 ( 0.852 2.933 0.000) 3.054 6.544 ( 8.055 1.670 0.000) 8.227 6.705 ( 2.582 11.581 0.000) 11.865 6.746 ( -11.692 1.765 0.000) 11.825 6.820 ( -9.487 12.608 0.000) 15.778 7.302 ( 7.548 7.663 0.000) 10.756 7.447 ( -5.780 7.028 0.000) 9.099 7.733 ( 8.519 -6.514 0.000) 10.724 7.832 ( -1.160 -4.479 0.000) 4.627 7.866 ( -4.902 -9.088 0.000) 10.326 7.905 ( -8.322 -3.963 0.000) 9.218 8.710 ( 11.031 -5.608 0.000) 12.374 8.900 ( -8.477 -5.519 0.000) 10.116 9.358 ( 15.377 3.458 0.000) 15.761 9.636 ( -13.221 1.068 0.000) 13.265 10.275 ( 8.050 1.526 0.000) 8.194 10.441 ( -8.761 2.313 0.000) 9.061 12.752 ( 6.829 3.860 0.000) 7.844 12.886 ( -6.633 5.930 0.000) 8.897 13.995 ( 6.826 1.456 0.000) 6.979 14.137 ( -7.412 2.694 0.000) 7.887 14.341 ( 4.684 -2.201 0.000) 5.175 14.428 ( -4.218 -1.453 0.000) 4.461 14.586 ( 9.311 4.928 0.000) 10.535 14.832 ( -16.034 7.900 0.000) 17.875 15.921 ( 5.426 3.705 0.000) 6.571 16.072 ( -9.515 5.037 0.000) 10.766 16.721 ( 9.133 0.946 0.000) 9.182 16.942 ( -13.722 2.768 0.000) 13.999 17.769 ( 10.963 -11.847 0.000) 16.141 17.964 ( -9.419 -9.283 0.000) 13.224 19.096 ( 3.923 -0.497 0.000) 3.955 19.185 ( -4.737 -3.299 0.000) 5.772 19.299 ( 6.600 -11.483 0.000) 13.245 19.412 ( -5.261 -8.554 0.000) 10.042 20.737 ( 5.166 0.563 0.000) 5.196 20.825 ( -3.776 -0.102 0.000) 3.777 22.050 ( 10.781 2.885 0.000) 11.160 22.235 ( -8.369 0.248 0.000) 8.373 22.680 ( 3.728 -3.042 0.000) 4.812 22.751 ( -3.633 -3.551 0.000) 5.080 ======================= Grid point 36 (16/63) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 13.279 13.279 0.000) 18.779 2.655 ( 17.708 17.708 0.000) 25.043 3.016 ( -1.483 -1.483 0.000) 2.097 3.397 ( 2.920 2.920 0.000) 4.130 3.617 ( -6.325 -6.325 0.000) 8.945 4.025 ( -6.131 -6.131 0.000) 8.670 4.392 ( 8.317 8.317 0.000) 11.762 4.495 ( 14.970 14.970 0.000) 21.170 4.877 ( 21.088 21.088 0.000) 29.823 4.905 ( 3.073 3.073 0.000) 4.346 4.952 ( -22.275 -22.275 0.000) 31.502 5.212 ( 19.951 19.951 0.000) 28.215 5.489 ( -25.622 -25.622 0.000) 36.234 5.529 ( 3.951 3.951 0.000) 5.587 6.454 ( -1.024 -1.024 0.000) 1.448 6.800 ( 5.563 5.563 0.000) 7.868 7.085 ( -6.229 -6.229 0.000) 8.809 7.260 ( 1.888 1.888 0.000) 2.670 7.397 ( 3.179 3.179 0.000) 4.496 7.485 ( -0.319 -0.319 0.000) 0.450 7.555 ( -5.560 -5.560 0.000) 7.863 7.565 ( -0.843 -0.843 0.000) 1.192 7.978 ( -4.224 -4.224 0.000) 5.974 8.277 ( -10.242 -10.242 0.000) 14.485 8.283 ( 4.265 4.265 0.000) 6.032 8.960 ( 11.136 11.136 0.000) 15.749 9.042 ( -4.958 -4.958 0.000) 7.011 9.963 ( -5.276 -5.276 0.000) 7.461 10.077 ( 3.237 3.237 0.000) 4.577 10.702 ( -1.925 -1.925 0.000) 2.722 12.597 ( 3.229 3.229 0.000) 4.567 13.128 ( 1.391 1.391 0.000) 1.967 13.851 ( 0.411 0.411 0.000) 0.582 14.163 ( 1.680 1.680 0.000) 2.376 14.399 ( -2.173 -2.173 0.000) 3.073 14.408 ( 2.227 2.227 0.000) 3.150 14.531 ( -2.437 -2.437 0.000) 3.446 15.564 ( -9.198 -9.198 0.000) 13.007 15.882 ( -1.180 -1.180 0.000) 1.669 16.339 ( 0.836 0.836 0.000) 1.183 16.582 ( -2.499 -2.499 0.000) 3.534 17.219 ( 2.158 2.158 0.000) 3.051 17.604 ( -11.220 -11.220 0.000) 15.868 18.192 ( -10.206 -10.206 0.000) 14.434 18.826 ( 0.121 0.121 0.000) 0.171 19.058 ( 0.308 0.308 0.000) 0.435 19.176 ( -0.805 -0.805 0.000) 1.139 19.494 ( -5.870 -5.870 0.000) 8.301 20.599 ( 3.201 3.201 0.000) 4.526 20.893 ( -0.793 -0.793 0.000) 1.122 21.754 ( 10.815 10.815 0.000) 15.295 22.422 ( -3.418 -3.418 0.000) 4.834 22.555 ( 0.903 0.903 0.000) 1.276 22.822 ( -3.791 -3.791 0.000) 5.361 ======================= Grid point 37 (17/63) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 33.019 -11.819 0.000) 35.070 2.995 ( 17.048 12.050 0.000) 20.877 3.015 ( 1.588 -4.022 0.000) 4.324 3.434 ( -10.937 -10.223 0.000) 14.971 3.493 ( 6.263 -2.017 0.000) 6.579 3.886 ( -7.309 -3.545 0.000) 8.123 4.521 ( -21.192 -19.079 0.000) 28.515 4.619 ( -1.768 -0.091 0.000) 1.770 4.713 ( -20.267 -8.469 0.000) 21.965 4.772 ( 12.297 9.435 0.000) 15.499 4.978 ( 3.845 0.679 0.000) 3.905 5.283 ( 11.840 8.696 0.000) 14.691 5.560 ( 2.656 11.285 0.000) 11.593 5.701 ( 15.218 17.299 0.000) 23.040 6.455 ( 1.899 -0.336 0.000) 1.929 6.874 ( 2.452 8.867 0.000) 9.200 6.933 ( -9.069 -3.763 0.000) 9.819 7.275 ( -13.704 9.000 0.000) 16.395 7.299 ( 3.420 3.392 0.000) 4.817 7.488 ( 5.882 -2.442 0.000) 6.368 7.513 ( 2.691 0.759 0.000) 2.796 7.675 ( 3.041 -12.096 0.000) 12.472 7.878 ( -6.188 -2.239 0.000) 6.581 8.036 ( -13.716 -7.764 0.000) 15.761 8.412 ( 8.536 -2.282 0.000) 8.836 8.928 ( -6.855 -6.442 0.000) 9.407 9.189 ( 12.271 7.511 0.000) 14.387 9.832 ( -8.174 -2.779 0.000) 8.634 10.174 ( 6.703 3.517 0.000) 7.570 10.630 ( -5.478 0.820 0.000) 5.539 12.700 ( 7.090 5.312 0.000) 8.859 13.112 ( -3.127 4.906 0.000) 5.818 13.917 ( 6.039 3.772 0.000) 7.120 14.207 ( 3.006 -2.168 0.000) 3.706 14.330 ( -4.557 4.089 0.000) 6.123 14.472 ( -3.821 -2.409 0.000) 4.517 14.491 ( 6.145 0.636 0.000) 6.177 15.291 ( -17.360 0.188 0.000) 17.361 15.906 ( 3.722 3.516 0.000) 5.121 16.314 ( -4.278 3.745 0.000) 5.685 16.588 ( 4.012 -0.878 0.000) 4.107 17.304 ( -17.582 -1.553 0.000) 17.651 17.342 ( 9.320 -6.791 0.000) 11.532 17.977 ( -11.423 -10.685 0.000) 15.642 18.919 ( 7.627 -8.527 0.000) 11.440 19.063 ( 0.648 0.853 0.000) 1.071 19.166 ( -0.974 -3.103 0.000) 3.253 19.371 ( -6.737 -7.731 0.000) 10.255 20.667 ( 3.829 1.781 0.000) 4.223 20.866 ( -2.050 -1.258 0.000) 2.405 21.945 ( 8.928 6.151 0.000) 10.842 22.342 ( -4.832 -2.185 0.000) 5.303 22.578 ( 1.605 -1.369 0.000) 2.110 22.747 ( -3.851 -4.103 0.000) 5.627 ======================= Grid point 38 (18/63) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 34.434 -21.314 0.000) 40.496 3.085 ( 9.929 -9.115 0.000) 13.478 3.238 ( -7.289 -10.045 0.000) 12.411 3.303 ( 14.443 6.947 0.000) 16.027 3.526 ( -6.670 1.297 0.000) 6.795 3.859 ( 8.330 -8.700 0.000) 12.044 3.890 ( -41.965 -29.107 0.000) 51.071 4.135 ( -18.004 -15.104 0.000) 23.501 4.962 ( 6.740 4.092 0.000) 7.885 4.981 ( 16.632 17.683 0.000) 24.276 5.024 ( 0.105 0.659 0.000) 0.668 5.260 ( -10.866 15.112 0.000) 18.613 5.724 ( 10.550 11.291 0.000) 15.453 5.846 ( -0.484 12.953 0.000) 12.962 6.557 ( 8.445 -0.176 0.000) 8.447 6.745 ( -10.131 -1.510 0.000) 10.243 6.926 ( 3.831 10.544 0.000) 11.218 7.049 ( -9.153 10.416 0.000) 13.866 7.417 ( 8.630 3.216 0.000) 9.210 7.553 ( -1.257 3.814 0.000) 4.016 7.604 ( 5.476 -6.258 0.000) 8.316 7.682 ( -2.118 -9.346 0.000) 9.582 7.750 ( -4.687 -3.858 0.000) 6.070 7.805 ( -8.356 -5.665 0.000) 10.096 8.594 ( 9.782 -5.998 0.000) 11.474 8.776 ( -8.796 -7.074 0.000) 11.288 9.427 ( 12.112 3.568 0.000) 12.626 9.649 ( -10.614 0.111 0.000) 10.615 10.327 ( 8.691 3.762 0.000) 9.470 10.495 ( -8.229 2.946 0.000) 8.741 12.856 ( 8.548 6.673 0.000) 10.844 13.011 ( -7.022 6.754 0.000) 9.743 14.063 ( 8.359 5.627 0.000) 10.076 14.217 ( -7.091 5.722 0.000) 9.112 14.283 ( 4.788 -3.665 0.000) 6.030 14.383 ( -5.169 -3.271 0.000) 6.117 14.663 ( 11.854 2.426 0.000) 12.099 14.947 ( -17.018 3.248 0.000) 17.325 16.021 ( 7.775 6.563 0.000) 10.175 16.184 ( -8.342 6.455 0.000) 10.548 16.732 ( 10.359 -0.060 0.000) 10.359 16.980 ( -15.125 0.570 0.000) 15.136 17.544 ( 10.981 -10.620 0.000) 15.277 17.758 ( -11.148 -11.331 0.000) 15.896 19.078 ( 8.342 -10.471 0.000) 13.388 19.089 ( 1.967 -0.202 0.000) 1.978 19.133 ( -2.255 -1.980 0.000) 3.001 19.233 ( -7.554 -9.535 0.000) 12.165 20.744 ( 3.912 0.118 0.000) 3.914 20.814 ( -3.248 -1.023 0.000) 3.405 22.103 ( 7.475 2.442 0.000) 7.864 22.235 ( -6.198 -0.302 0.000) 6.205 22.618 ( 2.546 -3.099 0.000) 4.011 22.676 ( -3.371 -3.995 0.000) 5.227 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 9.118 9.118 0.000) 12.894 2.963 ( -1.101 -1.101 0.000) 1.557 3.227 ( 11.657 11.657 0.000) 16.486 3.236 ( -9.715 -9.715 0.000) 13.739 3.493 ( 1.964 1.964 0.000) 2.778 3.803 ( -4.855 -4.855 0.000) 6.866 4.025 ( -37.241 -37.241 0.000) 52.666 4.164 ( -17.076 -17.076 0.000) 24.149 4.934 ( 6.821 6.821 0.000) 9.647 4.994 ( 17.486 17.486 0.000) 24.729 5.007 ( 2.014 2.014 0.000) 2.848 5.496 ( 8.002 8.002 0.000) 11.316 5.761 ( 10.205 10.205 0.000) 14.432 5.995 ( 11.096 11.096 0.000) 15.693 6.460 ( 1.501 1.501 0.000) 2.122 6.833 ( -6.333 -6.333 0.000) 8.956 7.010 ( 5.007 5.007 0.000) 7.082 7.340 ( 2.121 2.121 0.000) 3.000 7.341 ( -5.007 -5.007 0.000) 7.081 7.473 ( 1.050 1.050 0.000) 1.484 7.518 ( -0.978 -0.978 0.000) 1.383 7.555 ( 3.349 3.349 0.000) 4.736 7.815 ( -5.814 -5.814 0.000) 8.222 7.851 ( -9.317 -9.317 0.000) 13.176 8.410 ( 2.261 2.261 0.000) 3.197 8.790 ( -7.716 -7.716 0.000) 10.912 9.339 ( 7.942 7.942 0.000) 11.232 9.756 ( -5.103 -5.103 0.000) 7.216 10.274 ( 6.548 6.548 0.000) 9.260 10.619 ( -2.222 -2.222 0.000) 3.142 12.834 ( 8.241 8.241 0.000) 11.655 13.172 ( 0.849 0.849 0.000) 1.201 14.036 ( 8.092 8.092 0.000) 11.444 14.178 ( -0.308 -0.308 0.000) 0.435 14.404 ( -4.595 -4.595 0.000) 6.499 14.429 ( 3.420 3.420 0.000) 4.836 14.488 ( 1.782 1.782 0.000) 2.520 15.190 ( -10.085 -10.085 0.000) 14.262 16.011 ( 7.179 7.179 0.000) 10.153 16.372 ( 0.828 0.828 0.000) 1.171 16.590 ( 2.539 2.539 0.000) 3.591 17.185 ( -10.209 -10.209 0.000) 14.438 17.293 ( 1.582 1.582 0.000) 2.238 17.758 ( -11.374 -11.374 0.000) 16.085 18.845 ( 0.737 0.737 0.000) 1.042 19.075 ( 0.510 0.510 0.000) 0.721 19.127 ( -1.222 -1.222 0.000) 1.728 19.215 ( -8.223 -8.223 0.000) 11.628 20.703 ( 1.935 1.935 0.000) 2.737 20.833 ( -2.087 -2.087 0.000) 2.952 22.053 ( 5.076 5.076 0.000) 7.178 22.291 ( -3.103 -3.103 0.000) 4.388 22.560 ( -0.391 -0.391 0.000) 0.553 22.668 ( -3.830 -3.830 0.000) 5.416 ======================= Grid point 49 (20/63) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 27.016 -14.747 0.000) 30.779 2.979 ( 2.729 -3.970 0.000) 4.817 3.073 ( -6.772 -7.149 0.000) 9.847 3.304 ( -35.961 -29.694 0.000) 46.636 3.433 ( 9.113 6.223 0.000) 11.035 3.539 ( 0.046 0.137 0.000) 0.145 3.732 ( 0.321 -4.490 0.000) 4.501 3.875 ( -12.346 -11.382 0.000) 16.792 5.026 ( 2.657 2.500 0.000) 3.648 5.041 ( 0.921 0.950 0.000) 1.323 5.309 ( 14.286 15.453 0.000) 21.045 5.513 ( -5.803 10.234 0.000) 11.764 5.962 ( 9.469 12.060 0.000) 15.333 6.084 ( -1.933 10.841 0.000) 11.012 6.544 ( 7.087 -0.957 0.000) 7.151 6.695 ( -7.782 -3.501 0.000) 8.533 7.089 ( 4.043 5.814 0.000) 7.082 7.195 ( -7.167 3.831 0.000) 8.127 7.422 ( 6.791 -1.572 0.000) 6.971 7.514 ( 2.300 -2.639 0.000) 3.501 7.536 ( 0.312 -4.711 0.000) 4.721 7.591 ( -7.626 -2.391 0.000) 7.992 7.656 ( 1.266 -2.720 0.000) 3.000 7.743 ( -5.004 -1.412 0.000) 5.199 8.495 ( 6.228 -3.757 0.000) 7.274 8.636 ( -7.953 -7.075 0.000) 10.644 9.493 ( 7.854 3.206 0.000) 8.483 9.638 ( -6.940 -1.275 0.000) 7.056 10.413 ( 7.373 4.840 0.000) 8.819 10.542 ( -5.575 1.627 0.000) 5.807 13.000 ( 8.350 7.863 0.000) 11.469 13.134 ( -4.808 5.358 0.000) 7.199 14.207 ( 8.960 8.931 0.000) 12.651 14.209 ( 3.516 -3.572 0.000) 5.012 14.302 ( -5.555 -4.905 0.000) 7.411 14.362 ( -6.625 9.219 0.000) 11.353 14.664 ( 12.788 -2.461 0.000) 13.022 14.939 ( -14.682 -4.232 0.000) 15.280 16.168 ( 8.444 8.286 0.000) 11.830 16.315 ( -6.070 6.577 0.000) 8.950 16.718 ( 10.072 -1.017 0.000) 10.123 16.949 ( -12.990 -3.901 0.000) 13.563 17.383 ( 7.096 -5.532 0.000) 8.998 17.550 ( -9.875 -9.656 0.000) 13.811 18.919 ( 6.082 -5.521 0.000) 8.214 19.058 ( -7.870 -8.196 0.000) 11.362 19.088 ( 0.856 0.082 0.000) 0.860 19.107 ( -1.016 -0.778 0.000) 1.280 20.743 ( 2.227 -0.039 0.000) 2.227 20.788 ( -2.381 -1.487 0.000) 2.807 22.144 ( 4.378 1.821 0.000) 4.741 22.223 ( -3.828 -0.901 0.000) 3.933 22.566 ( 1.124 -2.090 0.000) 2.373 22.604 ( -2.701 -3.270 0.000) 4.242 ======================= Grid point 60 (21/63) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 3.220 3.220 0.000) 4.554 2.798 ( -20.594 -20.594 0.000) 29.124 2.936 ( -0.303 -0.303 0.000) 0.429 2.970 ( -3.767 -3.767 0.000) 5.328 3.530 ( 3.256 3.256 0.000) 4.605 3.546 ( 0.711 0.711 0.000) 1.005 3.673 ( -1.581 -1.581 0.000) 2.236 3.708 ( -5.529 -5.529 0.000) 7.819 5.057 ( 0.588 0.588 0.000) 0.832 5.057 ( 0.698 0.698 0.000) 0.987 5.551 ( 8.816 8.816 0.000) 12.468 5.629 ( 1.129 1.129 0.000) 1.597 6.160 ( 7.743 7.743 0.000) 10.951 6.224 ( 2.240 2.240 0.000) 3.168 6.542 ( 1.736 1.736 0.000) 2.456 6.614 ( -4.652 -4.652 0.000) 6.579 7.158 ( 2.211 2.211 0.000) 3.126 7.200 ( -1.976 -1.976 0.000) 2.794 7.409 ( 1.112 1.112 0.000) 1.572 7.477 ( -5.752 -5.752 0.000) 8.134 7.498 ( 0.361 0.361 0.000) 0.511 7.502 ( -0.046 -0.046 0.000) 0.065 7.676 ( 2.028 2.028 0.000) 2.867 7.714 ( -1.778 -1.778 0.000) 2.514 8.462 ( 0.564 0.564 0.000) 0.797 8.516 ( -4.851 -4.851 0.000) 6.860 9.551 ( 2.838 2.838 0.000) 4.014 9.602 ( -2.321 -2.321 0.000) 3.282 10.500 ( 3.757 3.757 0.000) 5.313 10.549 ( -1.112 -1.112 0.000) 1.573 13.138 ( 5.649 5.649 0.000) 7.989 13.194 ( 0.272 0.272 0.000) 0.385 14.168 ( -0.139 -0.139 0.000) 0.197 14.209 ( -4.067 -4.067 0.000) 5.752 14.392 ( 9.557 9.557 0.000) 13.515 14.537 ( 0.689 0.689 0.000) 0.974 14.598 ( 3.648 3.648 0.000) 5.159 14.794 ( -10.092 -10.092 0.000) 14.273 16.322 ( 6.904 6.904 0.000) 9.764 16.397 ( 0.352 0.352 0.000) 0.498 16.727 ( 3.165 3.165 0.000) 4.476 16.838 ( -6.905 -6.905 0.000) 9.765 17.336 ( 0.578 0.578 0.000) 0.817 17.399 ( -5.729 -5.729 0.000) 8.101 18.871 ( 0.419 0.419 0.000) 0.592 18.927 ( -5.092 -5.092 0.000) 7.201 19.092 ( 0.253 0.253 0.000) 0.358 19.097 ( -0.338 -0.338 0.000) 0.478 20.746 ( 0.425 0.425 0.000) 0.601 20.762 ( -1.163 -1.163 0.000) 1.645 22.175 ( 1.476 1.476 0.000) 2.087 22.202 ( -1.270 -1.270 0.000) 1.796 22.542 ( -0.332 -0.332 0.000) 0.470 22.555 ( -1.653 -1.653 0.000) 2.338 ======================= Grid point 121 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 0.000 35.139) 35.139 0.764 ( 0.000 0.000 35.139) 35.139 1.652 ( 0.000 0.000 76.256) 76.256 2.702 ( 0.000 0.000 -22.870) 22.870 2.702 ( 0.000 0.000 -22.870) 22.870 2.949 ( 0.000 0.000 13.674) 13.674 3.454 ( 0.000 -0.000 11.505) 11.505 3.454 ( 0.000 0.000 11.505) 11.505 4.427 ( 0.000 0.000 -21.333) 21.333 4.777 ( 0.000 0.000 19.453) 19.453 5.139 ( 0.000 0.000 -4.615) 4.615 5.139 ( -0.000 0.000 -4.615) 4.615 6.216 ( 0.000 0.000 -55.742) 55.742 6.413 ( 0.000 0.000 2.666) 2.666 6.413 ( 0.000 -0.000 2.666) 2.666 6.851 ( 0.000 0.000 20.071) 20.071 7.078 ( 0.000 0.000 -0.504) 0.504 7.078 ( 0.000 0.000 -0.504) 0.504 7.082 ( 0.000 0.000 -27.405) 27.405 7.519 ( -0.000 -0.000 4.667) 4.667 7.519 ( 0.000 -0.000 4.667) 4.667 7.864 ( 0.000 0.000 -0.411) 0.411 7.864 ( 0.000 -0.000 -0.411) 0.411 8.228 ( -0.000 -0.000 -13.079) 13.079 8.278 ( -0.000 -0.000 36.293) 36.293 8.737 ( 0.000 0.000 -4.213) 4.213 8.737 ( 0.000 0.000 -4.213) 4.213 9.214 ( 0.000 0.000 3.396) 3.396 10.404 ( 0.000 0.000 5.638) 5.638 10.802 ( 0.000 0.000 -3.373) 3.373 13.077 ( -0.000 -0.000 7.415) 7.415 13.077 ( -0.000 -0.000 7.415) 7.415 14.173 ( 0.000 0.000 -5.487) 5.487 14.173 ( 0.000 0.000 -5.487) 5.487 14.851 ( 0.000 0.000 2.971) 2.971 15.094 ( 0.000 0.000 -2.237) 2.237 16.306 ( -0.000 0.000 0.983) 0.983 16.306 ( 0.000 0.000 0.983) 0.983 17.012 ( 0.000 0.000 2.533) 2.533 17.037 ( -0.000 0.000 -0.238) 0.238 17.037 ( 0.000 -0.000 -0.238) 0.238 17.273 ( 0.000 0.000 -3.457) 3.457 18.872 ( -0.000 -0.000 -1.316) 1.316 18.872 ( 0.000 0.000 -1.316) 1.316 19.080 ( -0.000 -0.000 1.144) 1.144 19.080 ( -0.000 -0.000 1.144) 1.144 19.212 ( 0.000 0.000 2.534) 2.534 19.467 ( 0.000 0.000 -2.298) 2.298 19.831 ( 0.000 0.000 1.662) 1.662 19.915 ( -0.000 -0.000 0.674) 0.674 20.567 ( -0.000 -0.000 3.654) 3.654 20.832 ( 0.000 0.000 -2.510) 2.510 23.023 ( -0.000 -0.000 1.139) 1.139 23.098 ( 0.000 0.000 -0.459) 0.459 ======================= Grid point 122 (23/63) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 25.349 0.000 25.748) 36.133 1.211 ( 37.327 0.000 20.416) 42.545 1.997 ( 32.582 0.000 61.793) 69.856 2.766 ( 6.464 0.000 -21.379) 22.335 2.783 ( 8.248 0.000 -20.016) 21.649 3.100 ( 14.578 0.000 11.112) 18.330 3.464 ( 1.027 0.000 10.935) 10.983 3.498 ( 4.554 0.000 10.553) 11.494 4.455 ( 2.704 0.000 -19.643) 19.828 4.738 ( -3.677 0.000 18.335) 18.700 5.099 ( -4.113 0.000 -3.313) 5.282 5.228 ( 0.096 0.000 -11.802) 11.802 6.283 ( 6.471 0.000 -52.603) 52.999 6.368 ( -6.528 0.000 2.596) 7.025 6.507 ( 8.469 0.000 2.195) 8.749 6.835 ( -1.240 0.000 19.389) 19.428 6.957 ( -5.980 0.000 -16.935) 17.960 7.070 ( -0.628 0.000 0.249) 0.676 7.437 ( -1.397 0.000 -0.935) 1.681 7.474 ( -4.793 0.000 5.361) 7.191 7.601 ( 18.057 0.000 -18.519) 25.865 7.822 ( -2.586 0.000 0.322) 2.606 7.923 ( 4.599 0.000 -6.830) 8.234 8.204 ( -2.406 0.000 -12.026) 12.265 8.404 ( 11.301 0.000 32.107) 34.037 8.680 ( -5.640 0.000 -3.181) 6.475 8.920 ( 15.007 0.000 -24.220) 28.493 9.296 ( 9.825 0.000 0.066) 9.825 10.377 ( -2.819 0.000 5.648) 6.312 10.786 ( -1.689 0.000 -3.646) 4.018 13.059 ( -1.855 0.000 7.550) 7.774 13.069 ( -1.414 0.000 7.835) 7.962 14.124 ( -4.633 0.000 -2.901) 5.466 14.149 ( -2.418 0.000 -5.480) 5.989 14.819 ( -3.292 0.000 2.604) 4.197 15.020 ( -7.203 0.000 -1.771) 7.418 15.650 ( -68.365 0.000 58.371) 89.894 16.283 ( -2.537 0.000 1.110) 2.769 16.313 ( -0.235 0.000 1.524) 1.542 16.510 ( -33.456 0.000 -0.909) 33.469 17.398 ( 9.222 0.000 0.461) 9.233 17.651 ( 18.494 0.000 -4.167) 18.958 17.934 ( -36.894 0.000 15.621) 40.065 18.401 ( -32.260 0.000 -1.847) 32.312 19.052 ( 10.502 0.000 1.634) 10.628 19.135 ( 7.262 0.000 -0.370) 7.272 19.239 ( -2.208 0.000 7.078) 7.414 19.769 ( 1.394 0.000 -4.056) 4.289 20.007 ( 29.277 0.000 4.508) 29.622 20.581 ( 2.117 0.000 5.428) 5.826 20.795 ( 3.290 0.000 -7.872) 8.532 21.313 ( 50.263 0.000 -40.115) 64.308 22.913 ( -8.308 0.000 6.373) 10.471 23.070 ( -2.699 0.000 -0.759) 2.803 ======================= Grid point 123 (24/63) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 29.921 0.000 19.126) 35.512 2.005 ( 42.635 0.000 9.363) 43.651 2.775 ( 44.918 0.000 40.454) 60.450 2.940 ( 10.982 0.000 -16.960) 20.205 3.007 ( 14.239 0.000 -13.485) 19.611 3.426 ( 15.823 0.000 6.675) 17.174 3.497 ( 2.592 0.000 8.501) 8.888 3.675 ( 15.970 0.000 7.354) 17.582 4.497 ( -0.850 0.000 -5.112) 5.182 4.683 ( 0.774 0.000 6.435) 6.482 4.985 ( -7.442 0.000 -1.102) 7.524 5.119 ( -9.696 0.000 -8.550) 12.928 6.155 ( -15.019 0.000 1.598) 15.104 6.438 ( 8.672 0.000 -43.378) 44.236 6.632 ( 1.011 0.000 2.761) 2.940 6.836 ( -6.277 0.000 -10.102) 11.894 6.844 ( 3.231 0.000 14.078) 14.444 7.068 ( 0.414 0.000 3.517) 3.541 7.302 ( -9.964 0.000 3.421) 10.535 7.339 ( -8.146 0.000 5.119) 9.621 7.769 ( 0.217 0.000 -10.170) 10.172 7.825 ( 4.059 0.000 -3.812) 5.568 7.964 ( -0.624 0.000 -11.514) 11.531 8.148 ( -2.834 0.000 -10.422) 10.800 8.512 ( -8.780 0.000 -0.780) 8.814 8.685 ( 14.414 0.000 27.959) 31.455 9.108 ( 4.564 0.000 -17.383) 17.972 9.580 ( 15.536 0.000 -16.599) 22.735 10.295 ( -5.554 0.000 5.841) 8.060 10.733 ( -3.895 0.000 -4.296) 5.799 13.008 ( -4.579 0.000 11.297) 12.190 13.010 ( -3.021 0.000 7.963) 8.517 14.037 ( -3.088 0.000 -1.328) 3.361 14.087 ( -3.723 0.000 -5.491) 6.634 14.732 ( -5.423 0.000 1.651) 5.668 14.818 ( -23.307 0.000 39.576) 45.929 14.844 ( -10.056 0.000 0.326) 10.061 15.863 ( -31.639 0.000 -1.491) 31.674 16.218 ( -4.908 0.000 2.353) 5.443 16.317 ( 0.606 0.000 1.009) 1.176 17.301 ( -25.779 0.000 4.144) 26.110 17.612 ( 7.416 0.000 4.306) 8.575 17.756 ( -21.174 0.000 -6.895) 22.269 17.968 ( 2.688 0.000 -1.786) 3.227 19.167 ( -3.078 0.000 5.988) 6.733 19.275 ( 9.570 0.000 1.670) 9.714 19.313 ( 9.656 0.000 -1.059) 9.714 19.730 ( -3.373 0.000 -2.757) 4.356 20.439 ( 8.425 0.000 -0.353) 8.432 20.789 ( 23.681 0.000 11.190) 26.192 20.826 ( 1.160 0.000 -4.655) 4.797 21.952 ( 21.239 0.000 -26.479) 33.945 22.767 ( -6.571 0.000 7.128) 9.694 23.003 ( -3.955 0.000 -1.470) 4.220 ======================= Grid point 124 (25/63) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 29.041 0.000 16.067) 33.190 2.817 ( 40.354 0.000 3.690) 40.522 3.166 ( 11.447 0.000 -8.892) 14.495 3.285 ( 13.150 0.000 -2.955) 13.478 3.578 ( 6.142 0.000 1.942) 6.442 3.645 ( 36.897 0.000 13.751) 39.376 3.733 ( 24.656 0.000 9.845) 26.549 4.090 ( 23.812 0.000 3.529) 24.072 4.400 ( -6.802 0.000 13.750) 15.341 4.793 ( 7.330 0.000 -5.911) 9.417 4.821 ( -8.272 0.000 -1.257) 8.367 4.897 ( -12.307 0.000 -4.728) 13.184 5.809 ( -20.152 0.000 1.601) 20.215 6.536 ( -4.469 0.000 -11.780) 12.600 6.606 ( 2.857 0.000 -10.462) 10.845 6.710 ( -7.095 0.000 -5.966) 9.270 6.893 ( -0.415 0.000 6.459) 6.472 6.986 ( -9.679 0.000 5.278) 11.025 7.077 ( -12.686 0.000 4.469) 13.450 7.273 ( 2.926 0.000 -2.379) 3.771 7.664 ( -9.626 0.000 -3.989) 10.420 7.913 ( -4.573 0.000 -16.513) 17.134 7.987 ( 10.585 0.000 -10.739) 15.079 8.110 ( -1.244 0.000 -9.737) 9.816 8.335 ( -6.548 0.000 3.655) 7.499 8.985 ( 15.538 0.000 25.236) 29.636 9.149 ( 0.170 0.000 -8.554) 8.556 9.820 ( 8.934 0.000 -14.908) 17.380 10.170 ( -6.888 0.000 6.667) 9.586 10.633 ( -6.332 0.000 -4.956) 8.041 12.919 ( -3.995 0.000 13.232) 13.822 12.949 ( -3.103 0.000 8.636) 9.176 14.011 ( -0.272 0.000 -6.215) 6.220 14.017 ( -3.263 0.000 -5.558) 6.445 14.531 ( -9.361 0.000 18.533) 20.763 14.619 ( -5.933 0.000 0.363) 5.944 14.666 ( -7.530 0.000 3.858) 8.461 15.307 ( -25.195 0.000 -0.652) 25.203 16.104 ( -6.537 0.000 3.960) 7.643 16.334 ( 0.766 0.000 1.590) 1.765 16.813 ( -22.676 0.000 1.693) 22.739 17.322 ( -19.719 0.000 -7.202) 20.993 17.790 ( 9.607 0.000 2.521) 9.932 18.062 ( 3.836 0.000 -2.512) 4.585 19.102 ( -2.810 0.000 6.012) 6.636 19.434 ( 6.448 0.000 0.661) 6.482 19.451 ( 3.254 0.000 -1.966) 3.802 19.659 ( -3.516 0.000 -3.206) 4.758 20.525 ( 3.865 0.000 2.358) 4.528 20.844 ( 0.511 0.000 -3.643) 3.678 21.292 ( 24.865 0.000 9.329) 26.557 22.257 ( 11.378 0.000 -15.209) 18.994 22.655 ( -4.939 0.000 5.240) 7.200 22.926 ( -3.885 0.000 -2.333) 4.532 ======================= Grid point 125 (26/63) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 25.905 0.000 13.841) 29.371 3.353 ( 8.286 0.000 0.064) 8.287 3.484 ( 7.417 0.000 1.683) 7.605 3.514 ( 25.578 0.000 -0.297) 25.580 3.729 ( 11.170 0.000 -3.464) 11.695 4.078 ( 20.985 0.000 -8.501) 22.641 4.320 ( 1.213 0.000 16.103) 16.149 4.357 ( 16.978 0.000 5.794) 17.939 4.586 ( 18.242 0.000 6.309) 19.302 4.634 ( -8.973 0.000 0.161) 8.975 4.736 ( 11.498 0.000 5.207) 12.623 4.945 ( 5.377 0.000 -5.949) 8.019 5.398 ( -21.534 0.000 3.284) 21.783 6.373 ( -10.913 0.000 -2.709) 11.244 6.554 ( -8.726 0.000 -4.603) 9.866 6.619 ( -10.077 0.000 0.220) 10.080 6.662 ( -8.797 0.000 8.034) 11.914 6.840 ( -10.982 0.000 6.613) 12.819 6.984 ( 4.371 0.000 -1.947) 4.786 7.369 ( 6.014 0.000 -16.452) 17.517 7.446 ( -11.851 0.000 -2.286) 12.069 7.796 ( -7.190 0.000 -18.927) 20.246 8.043 ( -3.557 0.000 -8.251) 8.985 8.081 ( -2.020 0.000 -9.779) 9.986 8.437 ( 15.209 0.000 3.102) 15.522 9.114 ( -3.971 0.000 -2.965) 4.956 9.271 ( 13.794 0.000 20.247) 24.500 9.882 ( -4.311 0.000 -4.816) 6.464 10.097 ( 1.920 0.000 1.891) 2.695 10.493 ( -7.939 0.000 -5.278) 9.534 12.864 ( -1.668 0.000 12.443) 12.554 12.896 ( -2.291 0.000 9.450) 9.724 13.970 ( -1.447 0.000 -5.728) 5.908 14.002 ( -0.907 0.000 -8.074) 8.125 14.402 ( -4.381 0.000 5.062) 6.694 14.509 ( -5.405 0.000 -1.182) 5.533 14.572 ( -2.163 0.000 7.794) 8.088 14.900 ( -16.636 0.000 1.768) 16.729 15.986 ( -4.989 0.000 5.559) 7.470 16.261 ( -11.230 0.000 7.237) 13.360 16.539 ( -2.162 0.000 -5.651) 6.050 17.001 ( -13.735 0.000 -8.381) 16.090 17.963 ( 7.884 0.000 1.385) 8.005 18.114 ( 1.646 0.000 -1.132) 1.998 19.077 ( 0.567 0.000 4.658) 4.693 19.419 ( -5.822 0.000 -2.353) 6.280 19.525 ( 3.154 0.000 0.239) 3.163 19.611 ( -1.478 0.000 -2.037) 2.517 20.618 ( 5.596 0.000 2.232) 6.025 20.841 ( -0.931 0.000 -2.496) 2.664 21.720 ( 19.337 0.000 7.670) 20.802 22.379 ( -0.297 0.000 -3.552) 3.564 22.606 ( 1.476 0.000 -1.356) 2.004 22.853 ( -3.687 0.000 -3.296) 4.945 ======================= Grid point 126 (27/63) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 20.878 0.000 11.132) 23.661 3.462 ( -1.336 0.000 1.801) 2.242 3.562 ( -5.566 0.000 5.207) 7.622 3.566 ( 0.742 0.000 0.538) 0.917 4.167 ( 22.998 0.000 -2.242) 23.107 4.347 ( 2.318 0.000 -1.785) 2.925 4.418 ( 0.856 0.000 2.447) 2.592 4.513 ( -0.124 0.000 -4.899) 4.901 4.563 ( 7.071 0.000 2.332) 7.446 4.587 ( 2.978 0.000 -1.375) 3.280 4.954 ( -4.077 0.000 -0.349) 4.092 5.019 ( -15.079 0.000 7.199) 16.709 5.410 ( 36.399 0.000 10.278) 37.822 6.033 ( -26.457 0.000 5.159) 26.955 6.379 ( -4.714 0.000 -0.891) 4.798 6.403 ( -5.692 0.000 -3.395) 6.627 6.629 ( -0.126 0.000 9.050) 9.051 6.676 ( -5.511 0.000 8.493) 10.125 7.086 ( 6.200 0.000 -1.950) 6.500 7.235 ( -9.444 0.000 -1.839) 9.621 7.498 ( 7.246 0.000 -23.469) 24.562 7.647 ( -7.958 0.000 -21.824) 23.230 8.002 ( 0.062 0.000 -5.641) 5.642 8.034 ( -2.585 0.000 -7.977) 8.385 8.745 ( 14.917 0.000 0.874) 14.942 8.985 ( -9.571 0.000 0.073) 9.572 9.516 ( 11.602 0.000 13.670) 17.930 9.725 ( -9.965 0.000 6.166) 11.719 10.195 ( 6.623 0.000 -3.801) 7.636 10.337 ( -7.903 0.000 -5.008) 9.356 12.850 ( 0.036 0.000 11.238) 11.238 12.862 ( -1.195 0.000 10.286) 10.355 13.961 ( 0.424 0.000 -6.170) 6.185 13.979 ( -1.278 0.000 -7.078) 7.193 14.362 ( 0.416 0.000 -0.679) 0.797 14.413 ( -4.277 0.000 -2.238) 4.827 14.574 ( 2.209 0.000 7.195) 7.526 14.665 ( -7.826 0.000 5.007) 9.290 15.939 ( 0.860 0.000 6.506) 6.562 16.035 ( -9.099 0.000 7.090) 11.535 16.611 ( 6.855 0.000 -7.304) 10.017 16.775 ( -9.979 0.000 -8.335) 13.003 18.082 ( 4.144 0.000 0.713) 4.205 18.126 ( -0.600 0.000 0.065) 0.604 19.135 ( 5.414 0.000 2.146) 5.824 19.273 ( -8.196 0.000 -0.757) 8.231 19.567 ( 1.382 0.000 -0.212) 1.398 19.588 ( -1.037 0.000 -0.812) 1.317 20.725 ( 5.011 0.000 0.635) 5.051 20.803 ( -2.998 0.000 -1.061) 3.181 22.043 ( 14.100 0.000 5.971) 15.312 22.270 ( -9.284 0.000 3.809) 10.035 22.687 ( 5.100 0.000 -5.204) 7.287 22.778 ( -4.208 0.000 -4.375) 6.070 ======================= Grid point 133 (28/63) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 11.038 11.038 26.625) 30.863 1.502 ( 20.944 20.944 30.662) 42.631 2.424 ( 36.581 36.581 40.290) 65.571 2.748 ( 2.269 2.269 -20.607) 20.856 2.938 ( 11.431 11.431 -17.792) 24.039 3.220 ( 10.738 10.738 9.929) 18.144 3.497 ( 4.122 4.122 10.148) 11.703 3.531 ( 3.773 3.773 9.455) 10.856 4.484 ( 2.889 2.889 -18.601) 19.044 4.701 ( -3.683 -3.683 18.442) 19.163 5.069 ( -9.454 -9.454 -8.592) 15.892 5.203 ( 3.079 3.079 -4.014) 5.922 6.340 ( 4.467 4.467 -47.008) 47.431 6.382 ( -6.279 -6.279 -2.767) 9.301 6.450 ( 1.658 1.658 1.750) 2.926 6.819 ( -1.400 -1.400 18.735) 18.839 6.977 ( 1.476 1.476 -11.040) 11.235 7.104 ( 1.245 1.245 -0.653) 1.877 7.338 ( -7.081 -7.081 1.626) 10.146 7.482 ( -2.068 -2.068 4.462) 5.335 7.700 ( 6.291 6.291 -15.396) 17.782 7.835 ( -1.516 -1.516 -0.626) 2.233 7.908 ( 1.450 1.450 -5.421) 5.796 8.182 ( -2.248 -2.248 -10.903) 11.357 8.478 ( 7.354 7.354 29.003) 30.811 8.698 ( -2.244 -2.244 -4.525) 5.527 8.987 ( 7.092 7.092 -27.674) 29.435 9.394 ( 10.178 10.178 -5.553) 15.427 10.351 ( -2.703 -2.703 5.531) 6.723 10.774 ( -1.284 -1.284 -3.847) 4.255 12.993 ( -4.675 -4.675 8.959) 11.134 13.102 ( 1.218 1.218 7.553) 7.747 14.023 ( -6.041 -6.041 -2.102) 8.799 14.197 ( 1.205 1.205 -5.464) 5.724 14.773 ( -5.131 -5.131 2.748) 7.759 14.943 ( -7.330 -7.330 -1.126) 10.427 15.179 ( -31.249 -31.249 54.485) 70.154 16.252 ( -3.655 -3.655 0.651) 5.210 16.310 ( 0.222 0.222 1.010) 1.057 16.483 ( -18.364 -18.364 3.007) 26.144 17.063 ( 1.253 1.253 -0.312) 1.799 17.511 ( -21.637 -21.637 2.651) 30.714 18.185 ( 14.251 14.251 -0.314) 20.156 18.465 ( -11.283 -11.283 1.955) 16.076 18.852 ( -0.928 -0.928 -1.501) 1.994 19.078 ( -0.059 -0.059 1.345) 1.348 19.217 ( -1.945 -1.945 6.798) 7.333 19.761 ( -1.679 -1.679 -2.702) 3.597 20.271 ( 18.605 18.605 0.743) 26.323 20.607 ( 6.560 6.560 8.169) 12.361 20.812 ( 1.091 1.091 -5.545) 5.756 21.672 ( 24.682 24.682 -34.798) 49.288 22.844 ( -5.843 -5.843 6.944) 10.793 23.049 ( -2.212 -2.212 -0.682) 3.202 ======================= Grid point 134 (29/63) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 33.883 -9.533 14.574) 38.096 1.991 ( 29.304 7.695 30.037) 42.663 2.853 ( 8.187 -2.927 -17.205) 19.277 3.191 ( 20.423 16.763 -4.479) 26.799 3.216 ( 35.505 30.457 16.176) 49.497 3.398 ( 6.827 -0.872 8.044) 10.586 3.614 ( 7.704 8.719 4.924) 12.634 3.748 ( 19.765 8.974 6.136) 22.557 4.526 ( -1.982 2.807 -1.520) 3.758 4.649 ( 2.223 -3.086 4.042) 5.550 4.842 ( -12.401 -11.316 -3.175) 17.086 5.226 ( -2.018 7.726 -3.888) 8.881 6.101 ( -18.326 -7.942 0.171) 19.973 6.458 ( 5.577 1.269 -38.546) 38.968 6.530 ( 2.734 -4.801 -0.943) 5.605 6.787 ( -2.324 -0.931 14.348) 14.565 6.967 ( -3.911 1.214 -4.553) 6.124 7.127 ( 2.305 3.274 1.033) 4.135 7.182 ( -8.347 -1.762 -1.565) 8.673 7.397 ( -6.515 0.469 4.266) 7.802 7.745 ( -1.240 -1.836 -3.865) 4.455 7.811 ( 0.811 -2.510 -3.570) 4.439 7.959 ( 2.842 1.072 -11.065) 11.474 8.125 ( -3.258 -2.221 -8.958) 9.788 8.565 ( -8.814 3.150 -2.863) 9.788 8.685 ( 11.881 0.519 24.788) 27.493 9.109 ( 4.620 0.533 -16.975) 17.601 9.636 ( 12.567 5.341 -13.763) 19.388 10.272 ( -5.355 -2.366 5.423) 7.980 10.731 ( -3.315 -0.275 -4.346) 5.473 12.892 ( -5.226 -6.303 11.334) 13.982 13.104 ( -1.210 4.117 8.275) 9.322 13.930 ( -3.171 -5.827 -4.141) 7.820 14.188 ( -1.895 5.265 -4.528) 7.198 14.586 ( -12.271 -12.255 13.795) 22.160 14.777 ( -9.316 -6.061 3.112) 11.541 14.794 ( -9.200 -2.377 20.503) 22.597 15.939 ( -27.884 4.115 -1.717) 28.238 16.196 ( -5.992 -2.180 3.497) 7.272 16.319 ( 0.612 0.179 1.053) 1.231 17.082 ( -21.154 -15.995 -0.056) 26.521 17.279 ( 14.259 -16.818 0.248) 22.051 17.992 ( -28.278 12.805 -0.612) 31.049 18.286 ( -0.866 18.744 -1.336) 18.811 19.042 ( 12.265 -17.397 -0.965) 21.308 19.135 ( -1.249 -4.276 4.907) 6.628 19.241 ( 8.644 -6.002 1.977) 10.707 19.709 ( -3.406 -2.021 -2.584) 4.729 20.466 ( 3.957 1.717 0.357) 4.328 20.834 ( 1.209 0.791 -4.329) 4.564 20.940 ( 23.623 14.451 9.560) 29.296 22.062 ( 15.568 9.287 -22.186) 28.650 22.727 ( -5.782 -3.689 5.929) 9.066 22.990 ( -3.605 -1.395 -0.931) 3.976 ======================= Grid point 135 (30/63) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 32.838 -5.685 8.677) 34.437 2.628 ( 36.129 -7.798 22.082) 43.055 3.043 ( 10.702 -6.822 -9.683) 15.964 3.441 ( 9.668 8.251 -1.499) 12.799 3.506 ( 7.108 -2.367 2.657) 7.949 3.829 ( 14.809 9.697 -5.396) 18.506 3.989 ( 33.313 22.688 12.839) 42.301 4.187 ( 22.558 9.585 2.492) 24.636 4.447 ( -0.915 5.935 16.862) 17.899 4.614 ( -9.331 -10.796 -1.322) 14.331 4.784 ( 8.718 -0.487 -6.251) 10.739 5.124 ( -8.046 13.396 -2.502) 15.826 5.706 ( -21.863 -10.949 1.630) 24.505 6.474 ( -5.391 -5.929 -9.273) 12.256 6.547 ( -3.197 -8.125 -2.351) 9.042 6.682 ( -6.496 -0.076 -0.211) 6.500 6.903 ( -0.741 -2.789 -7.048) 7.616 7.021 ( -7.931 8.993 -1.563) 12.092 7.148 ( -3.655 4.792 1.535) 6.219 7.266 ( -3.543 -0.894 0.264) 3.663 7.678 ( -5.556 0.666 0.438) 5.613 7.831 ( -1.288 -5.770 -12.536) 13.860 8.050 ( 5.680 2.291 -8.924) 10.823 8.079 ( 0.277 -0.663 -11.282) 11.305 8.373 ( -8.298 2.456 0.578) 8.673 8.932 ( 11.781 -4.184 18.657) 22.458 9.179 ( 3.517 2.417 -3.662) 5.624 9.838 ( 7.994 1.816 -12.193) 14.692 10.150 ( -6.872 -2.034 5.942) 9.310 10.642 ( -5.959 0.759 -4.909) 7.757 12.812 ( -2.581 -5.499 11.934) 13.391 13.060 ( -3.082 6.107 9.338) 11.576 13.891 ( -1.195 -5.737 -6.876) 9.034 14.143 ( -2.365 6.236 -4.473) 8.031 14.409 ( -5.891 -7.883 6.968) 12.059 14.616 ( -6.466 -4.000 8.053) 11.075 14.667 ( -5.565 1.054 6.643) 8.730 15.417 ( -25.113 9.126 -2.041) 26.798 16.075 ( -6.469 -2.821 4.745) 8.504 16.334 ( 0.528 0.008 1.624) 1.708 16.716 ( -16.041 -7.136 -1.995) 17.670 17.461 ( -19.059 8.611 -3.877) 21.270 17.566 ( 8.529 -12.696 0.887) 15.320 18.240 ( -2.958 9.984 -0.812) 10.445 19.087 ( -2.180 -1.392 4.945) 5.581 19.246 ( 8.132 -15.163 -1.645) 17.285 19.396 ( 5.163 -6.955 0.885) 8.707 19.638 ( -3.640 -2.146 -2.868) 5.107 20.534 ( 3.961 1.024 2.240) 4.664 20.852 ( 0.529 0.719 -3.460) 3.573 21.390 ( 21.699 9.127 8.122) 24.902 22.299 ( 9.148 3.719 -12.975) 16.306 22.625 ( -4.561 -2.856 3.902) 6.647 22.917 ( -3.861 -1.036 -1.594) 4.304 ======================= Grid point 136 (31/63) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 26.531 0.508 9.900) 28.323 3.236 ( 9.556 -8.469 -1.199) 12.825 3.346 ( 34.705 -13.414 11.312) 38.889 3.570 ( 2.949 2.916 -0.824) 4.228 3.652 ( 7.168 -4.383 -2.208) 8.687 4.073 ( 7.332 -1.421 0.129) 7.469 4.340 ( 10.001 5.103 5.844) 12.657 4.414 ( 2.829 0.585 3.205) 4.315 4.519 ( 7.721 3.994 -0.342) 8.700 4.860 ( 16.295 14.289 1.477) 21.722 4.931 ( 8.356 13.639 5.422) 16.889 4.962 ( 0.506 5.253 -2.581) 5.875 5.279 ( -21.018 -11.270 4.200) 24.216 6.209 ( -18.861 -20.103 3.362) 27.770 6.446 ( -4.212 -0.489 -2.123) 4.742 6.634 ( -0.881 1.304 3.210) 3.575 6.766 ( -12.114 9.388 -4.804) 16.061 6.968 ( -7.978 6.591 3.079) 10.797 7.024 ( 2.420 3.664 -1.712) 4.713 7.291 ( 3.094 -3.737 -13.410) 14.260 7.551 ( -6.893 6.240 -2.047) 9.520 7.749 ( -6.072 -4.375 -17.265) 18.817 8.033 ( -2.623 -3.808 -8.020) 9.258 8.070 ( -5.768 1.171 -8.372) 10.234 8.448 ( 14.393 1.063 1.689) 14.531 9.051 ( -0.405 -5.222 1.660) 5.495 9.312 ( 10.624 3.267 15.287) 18.900 9.893 ( -4.722 0.973 -3.135) 5.751 10.077 ( 2.383 -1.881 0.566) 3.088 10.504 ( -8.079 1.123 -5.342) 9.750 12.797 ( 0.888 -2.996 11.286) 11.710 12.991 ( -3.892 5.975 9.949) 12.241 13.886 ( 0.915 -4.250 -6.187) 7.561 14.092 ( -3.223 4.859 -6.525) 8.751 14.343 ( -1.048 -2.859 0.222) 3.054 14.536 ( -2.242 -2.015 9.440) 9.910 14.570 ( -4.036 2.001 2.993) 5.408 14.987 ( -18.838 8.094 -0.894) 20.523 15.967 ( -3.963 -1.544 5.978) 7.337 16.264 ( -9.613 0.423 5.345) 11.007 16.538 ( -0.228 0.019 -5.826) 5.831 17.079 ( -16.763 7.123 -6.032) 19.187 17.792 ( 10.960 -12.902 0.152) 16.929 18.179 ( -3.419 2.104 -0.109) 4.016 19.070 ( 0.790 -0.559 3.629) 3.756 19.328 ( -0.934 -9.146 -2.894) 9.638 19.446 ( 2.006 -6.845 1.691) 7.331 19.582 ( -2.167 -3.187 -1.882) 4.289 20.627 ( 5.382 0.831 1.946) 5.783 20.848 ( -1.014 0.612 -2.358) 2.639 21.767 ( 17.239 4.485 6.762) 19.054 22.386 ( -1.644 0.464 -2.135) 2.734 22.588 ( 2.198 -1.685 -2.535) 3.755 22.842 ( -3.875 -1.208 -2.591) 4.815 ======================= Grid point 137 (32/63) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 20.303 1.192 9.266) 22.350 3.398 ( 6.627 -6.141 1.726) 9.198 3.520 ( -7.969 -2.766 2.695) 8.856 3.566 ( -6.819 -1.677 3.561) 7.874 4.049 ( 28.242 -11.493 0.320) 30.493 4.274 ( 13.117 -9.767 0.895) 16.378 4.427 ( 4.763 4.104 1.136) 6.389 4.506 ( -9.350 -0.769 -1.262) 9.466 4.622 ( 3.654 1.971 -3.775) 5.612 4.681 ( -11.885 10.286 0.886) 15.743 4.901 ( -2.561 -3.972 5.782) 7.468 5.018 ( -6.868 0.730 2.857) 7.474 5.450 ( 24.353 4.500 7.069) 25.754 5.847 ( -18.189 -13.950 5.779) 23.640 6.414 ( 1.889 5.519 -3.688) 6.901 6.535 ( -9.981 8.864 -3.007) 13.683 6.653 ( 3.293 3.266 7.271) 8.625 6.779 ( -9.063 5.923 8.181) 13.570 7.133 ( 6.975 4.893 -3.189) 9.097 7.277 ( -6.351 4.148 -4.495) 8.817 7.499 ( 3.688 0.265 -19.139) 19.493 7.619 ( -7.089 -2.893 -20.143) 21.549 7.978 ( -1.077 -2.609 -5.268) 5.976 7.997 ( -2.413 -3.538 -6.727) 7.974 8.739 ( 13.996 -0.530 0.842) 14.031 8.960 ( -8.391 -2.415 0.640) 8.755 9.531 ( 11.073 1.326 13.607) 17.593 9.733 ( -9.847 0.692 6.928) 12.060 10.185 ( 7.233 -0.733 -4.861) 8.745 10.340 ( -8.512 0.479 -5.506) 10.149 12.839 ( 3.258 0.436 10.659) 11.154 12.913 ( -4.087 3.811 10.291) 11.710 13.932 ( 3.660 -1.126 -5.836) 6.980 14.015 ( -4.531 2.189 -6.513) 8.230 14.367 ( 3.398 1.172 -1.242) 3.803 14.458 ( -5.226 2.528 1.970) 6.131 14.572 ( 3.566 0.205 5.102) 6.228 14.702 ( -10.432 3.950 2.314) 11.392 15.946 ( 2.287 0.955 6.355) 6.821 16.060 ( -9.154 2.369 6.098) 11.251 16.626 ( 7.518 1.494 -6.699) 10.180 16.809 ( -11.453 3.388 -7.122) 13.905 17.975 ( 7.917 -9.090 0.071) 12.054 18.100 ( -5.058 -4.141 0.186) 6.539 19.124 ( 4.700 -1.068 1.562) 5.067 19.238 ( -6.450 -3.430 -0.905) 7.361 19.497 ( 2.649 -6.584 0.420) 7.109 19.543 ( -2.084 -4.732 -0.448) 5.189 20.730 ( 4.921 0.452 0.508) 4.968 20.809 ( -3.096 0.431 -1.030) 3.292 22.059 ( 12.925 1.524 5.304) 14.054 22.270 ( -8.882 -0.004 3.510) 9.551 22.672 ( 5.039 -1.468 -4.873) 7.162 22.764 ( -4.329 -1.498 -3.787) 5.944 ======================= Grid point 145 (33/63) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 13.386 13.386 16.936) 25.401 2.276 ( 19.501 19.501 30.919) 41.432 2.850 ( 2.617 2.617 -15.895) 16.320 3.386 ( 0.539 0.539 6.680) 6.723 3.453 ( 12.112 12.112 -4.245) 17.648 3.790 ( 10.805 10.805 -3.053) 15.582 3.904 ( 33.100 33.100 10.019) 47.870 4.045 ( 19.953 19.953 2.930) 28.370 4.552 ( -0.816 -0.816 16.363) 16.404 4.611 ( -11.429 -11.429 2.410) 16.341 4.648 ( 5.528 5.528 -11.191) 13.651 5.354 ( 4.440 4.440 -2.296) 6.685 5.817 ( -19.620 -19.620 0.407) 27.749 6.433 ( -7.279 -7.279 -16.791) 19.695 6.503 ( 0.431 0.431 0.468) 0.768 6.785 ( 0.432 0.432 14.202) 14.216 6.831 ( -7.320 -7.320 -21.618) 23.969 7.166 ( 1.822 1.822 -0.743) 2.681 7.280 ( 3.915 3.915 -9.070) 10.626 7.350 ( -4.679 -4.679 3.457) 7.466 7.702 ( -2.175 -2.175 2.540) 3.989 7.744 ( -3.250 -3.250 0.362) 4.611 8.029 ( 5.835 5.835 -11.800) 14.399 8.067 ( -3.506 -3.506 -7.168) 8.715 8.543 ( -5.973 -5.973 -4.555) 9.597 8.739 ( 5.240 5.240 19.765) 21.109 9.147 ( 3.497 3.497 -11.063) 12.118 9.760 ( 6.809 6.809 -9.713) 13.677 10.204 ( -4.718 -4.718 4.620) 8.116 10.715 ( -1.713 -1.713 -4.545) 5.151 12.782 ( -4.523 -4.523 12.088) 13.676 13.162 ( 1.720 1.720 7.871) 8.238 13.840 ( -3.409 -3.409 -6.501) 8.093 14.262 ( 2.027 2.027 -5.389) 6.104 14.365 ( -8.702 -8.702 11.040) 16.533 14.642 ( -7.152 -7.152 5.775) 11.648 14.734 ( -3.614 -3.614 12.301) 13.320 15.885 ( -10.817 -10.817 -3.278) 15.645 16.123 ( -5.614 -5.614 5.346) 9.572 16.325 ( 0.544 0.544 1.063) 1.312 16.798 ( -12.661 -12.661 -3.069) 18.167 17.128 ( 2.047 2.047 -0.453) 2.931 18.049 ( -10.954 -10.954 1.101) 15.530 18.466 ( -1.573 -1.573 -0.470) 2.273 18.814 ( -0.859 -0.859 -1.886) 2.243 19.078 ( 0.068 0.068 1.744) 1.746 19.182 ( 0.507 0.507 3.368) 3.444 19.655 ( -3.546 -3.546 -2.301) 5.518 20.504 ( 2.443 2.443 1.518) 3.774 20.852 ( 0.969 0.969 -3.731) 3.975 21.270 ( 17.856 17.856 7.562) 26.361 22.242 ( 8.424 8.424 -14.822) 19.016 22.643 ( -4.655 -4.655 3.695) 7.549 22.948 ( -2.910 -2.910 -0.390) 4.133 ======================= Grid point 146 (34/63) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 32.197 -8.191 9.368) 34.518 2.699 ( 23.413 11.655 28.782) 38.890 2.945 ( 6.824 -3.091 -10.509) 12.906 3.422 ( 3.547 -2.593 2.660) 5.136 3.616 ( 3.812 4.800 -0.367) 6.140 4.025 ( 10.234 9.491 -7.281) 15.743 4.292 ( 7.776 7.741 7.384) 13.225 4.417 ( -1.611 -0.489 3.492) 3.877 4.448 ( 13.918 11.268 -0.501) 17.914 4.764 ( 20.750 19.709 4.524) 28.974 4.816 ( 14.473 8.478 1.759) 16.865 5.354 ( -9.585 3.695 -0.928) 10.314 5.414 ( -16.240 -11.961 2.274) 20.297 6.132 ( -21.017 -25.157 5.087) 33.173 6.493 ( -1.394 -0.345 0.432) 1.500 6.730 ( -2.313 4.848 -10.052) 11.397 6.881 ( 6.545 -0.401 -15.482) 16.813 7.166 ( -3.624 4.242 -2.047) 5.943 7.234 ( -6.054 -2.083 1.149) 6.505 7.245 ( -5.484 4.592 -7.148) 10.113 7.662 ( -2.587 -2.555 2.904) 4.653 7.720 ( -0.048 -5.333 -3.674) 6.477 7.995 ( -3.661 -3.747 -5.437) 7.550 8.176 ( 7.727 7.009 -10.403) 14.733 8.374 ( -8.704 -3.248 -2.239) 9.556 8.862 ( 6.465 -2.402 11.679) 13.564 9.239 ( 5.992 4.036 1.964) 7.487 9.884 ( 5.760 2.791 -8.083) 10.310 10.092 ( -6.514 -3.861 4.380) 8.748 10.655 ( -4.595 0.334 -4.905) 6.729 12.733 ( -0.325 -2.373 11.472) 11.719 13.165 ( -1.426 4.540 8.408) 9.661 13.801 ( -0.401 -3.193 -6.403) 7.166 14.228 ( -3.388 0.939 0.064) 3.517 14.308 ( 0.465 -0.679 -1.774) 1.956 14.523 ( -4.607 -4.991 6.170) 9.176 14.661 ( -3.762 -1.371 9.269) 10.097 15.562 ( -20.471 3.656 -3.895) 21.156 16.009 ( -5.218 -3.489 6.097) 8.751 16.337 ( 0.230 0.434 1.380) 1.465 16.597 ( -7.791 -4.884 -4.688) 10.322 17.286 ( 11.746 -9.697 -0.523) 15.240 17.669 ( -23.453 5.395 -0.111) 24.066 18.329 ( -9.520 -1.741 0.074) 9.678 18.937 ( 9.374 -13.945 -1.959) 16.917 19.070 ( -0.878 0.225 2.477) 2.637 19.253 ( 4.404 -6.256 1.675) 7.833 19.577 ( -4.305 -4.077 -2.057) 6.276 20.564 ( 3.790 2.052 1.841) 4.687 20.865 ( 0.273 0.554 -2.879) 2.945 21.598 ( 15.721 11.424 6.245) 20.412 22.374 ( 4.878 3.530 -8.328) 10.276 22.559 ( -3.537 -3.618 1.219) 5.205 22.882 ( -3.812 -2.606 -0.573) 4.653 ======================= Grid point 147 (35/63) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 33.918 -12.187 1.911) 36.091 3.076 ( 9.264 -6.309 -0.374) 11.215 3.196 ( 25.281 0.156 23.573) 34.566 3.522 ( 4.764 -4.903 -2.671) 7.340 3.594 ( -3.959 -4.689 -0.547) 6.161 4.042 ( -5.493 -2.200 6.501) 8.791 4.411 ( 6.018 5.020 0.682) 7.867 4.533 ( 14.211 9.637 -1.488) 17.235 4.684 ( 2.720 9.482 -3.962) 10.630 4.922 ( -8.046 -6.143 1.233) 10.198 5.011 ( -5.659 -4.765 3.883) 8.355 5.221 ( -5.691 10.882 1.352) 12.355 5.284 ( 15.932 18.526 4.260) 24.802 5.764 ( -12.494 -20.940 8.040) 25.675 6.474 ( 0.207 1.332 -0.946) 1.647 6.695 ( -1.191 5.151 -3.133) 6.146 6.939 ( -7.355 7.449 -13.951) 17.441 7.032 ( -10.344 -0.887 4.451) 11.296 7.093 ( 3.682 3.765 -9.435) 10.805 7.265 ( 3.925 0.951 -6.453) 7.613 7.613 ( -2.542 -3.019 -2.235) 4.535 7.667 ( -5.881 -1.140 -9.686) 11.388 7.933 ( -2.767 -5.529 -4.733) 7.787 8.079 ( -11.406 -1.204 -6.242) 13.058 8.478 ( 13.372 2.249 0.113) 13.561 8.946 ( 1.388 -5.062 4.084) 6.651 9.382 ( 8.625 3.834 13.459) 16.439 9.906 ( -6.752 -0.136 1.009) 6.828 10.040 ( 4.944 -1.196 -4.054) 6.504 10.534 ( -7.776 1.869 -5.458) 9.682 12.770 ( 3.991 0.444 10.540) 11.279 13.108 ( -4.341 5.970 9.107) 11.723 13.833 ( 3.715 -0.841 -5.169) 6.421 14.167 ( -3.786 2.969 -4.832) 6.819 14.324 ( 1.650 0.341 -0.661) 1.810 14.481 ( 0.384 -2.732 5.046) 5.751 14.590 ( -3.443 -0.177 6.635) 7.477 15.157 ( -20.204 7.895 -3.473) 21.968 15.946 ( -0.873 -0.187 6.250) 6.313 16.282 ( -6.738 1.554 2.530) 7.364 16.540 ( 2.597 0.047 -5.372) 5.967 17.229 ( -20.280 6.989 -2.476) 21.593 17.534 ( 12.452 -12.722 -0.388) 17.806 18.145 ( -9.363 -5.747 0.057) 10.986 19.062 ( 1.006 -0.784 1.571) 2.023 19.102 ( 5.935 -12.085 -3.031) 13.800 19.303 ( 1.037 -7.198 3.169) 7.933 19.494 ( -4.098 -5.566 -1.379) 7.048 20.648 ( 4.691 1.260 1.289) 5.026 20.857 ( -1.283 0.098 -1.963) 2.347 21.874 ( 12.817 6.078 5.125) 15.082 22.386 ( -3.989 -0.697 0.335) 4.063 22.553 ( 3.230 -1.624 -4.296) 5.615 22.804 ( -4.196 -2.782 -1.415) 5.230 ======================= Grid point 148 (36/63) ======================= q-point: ( 0.45 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 19.125 -3.472 2.611) 19.612 3.258 ( 12.725 -8.158 1.420) 15.182 3.407 ( -8.857 -8.035 1.349) 12.035 3.543 ( -8.193 -1.292 3.374) 8.954 3.779 ( 29.352 -13.629 12.039) 34.529 4.035 ( 7.235 -13.608 -1.104) 15.451 4.377 ( -15.282 -9.718 -0.449) 18.115 4.482 ( -22.167 -9.353 8.924) 25.661 4.682 ( 9.812 10.629 0.079) 14.465 4.887 ( -3.918 7.660 -1.245) 8.694 4.915 ( 5.028 5.959 3.121) 8.398 5.081 ( -6.355 7.853 4.112) 10.907 5.573 ( 10.154 6.598 1.929) 12.262 5.680 ( -1.375 0.653 4.046) 4.323 6.533 ( 6.318 5.029 -3.808) 8.928 6.683 ( -3.997 5.190 -0.616) 6.580 6.751 ( -3.927 7.312 -5.507) 9.961 6.844 ( -8.471 1.513 4.307) 9.622 7.247 ( 9.518 4.957 -8.805) 13.882 7.356 ( 2.996 2.920 -7.636) 8.707 7.518 ( -6.854 -0.547 -13.629) 15.266 7.544 ( -4.886 -1.938 -9.004) 10.426 7.889 ( -1.214 -6.079 -4.176) 7.474 7.915 ( -4.505 -4.976 -4.069) 7.849 8.730 ( 11.649 -0.225 2.227) 11.862 8.903 ( -5.813 -3.084 2.850) 7.171 9.559 ( 9.392 1.392 13.257) 16.306 9.740 ( -9.249 -0.239 7.537) 11.934 10.182 ( 8.773 0.872 -7.020) 11.270 10.364 ( -9.512 2.078 -6.332) 11.615 12.875 ( 6.439 3.295 9.938) 12.292 13.003 ( -6.356 5.409 9.571) 12.698 13.937 ( 6.574 1.937 -4.989) 8.477 14.067 ( -6.355 3.490 -5.553) 9.132 14.384 ( 4.287 -0.507 1.915) 4.723 14.470 ( -3.756 -1.003 4.618) 6.037 14.598 ( 6.601 2.391 1.118) 7.110 14.811 ( -14.899 6.460 -1.950) 16.356 15.985 ( 4.896 3.194 5.644) 8.126 16.121 ( -8.544 3.946 4.133) 10.279 16.661 ( 9.218 1.931 -5.212) 10.764 16.890 ( -14.543 4.431 -4.436) 15.837 17.764 ( 11.076 -12.076 -0.440) 16.392 17.963 ( -9.632 -9.552 -0.188) 13.567 19.097 ( 2.683 -1.598 0.147) 3.127 19.147 ( -1.384 -5.904 -2.392) 6.519 19.340 ( 3.461 -8.671 2.744) 9.732 19.417 ( -4.032 -7.757 0.286) 8.747 20.739 ( 4.473 0.360 0.200) 4.491 20.814 ( -3.137 -0.054 -0.947) 3.277 22.096 ( 10.136 2.180 4.004) 11.114 22.268 ( -7.613 -0.236 2.774) 8.106 22.634 ( 4.504 -2.408 -3.961) 6.464 22.720 ( -4.395 -2.916 -2.634) 5.896 ======================= Grid point 157 (37/63) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 11.766 11.766 10.817) 19.847 2.925 ( 1.035 1.035 -8.643) 8.766 2.982 ( 16.371 16.371 27.186) 35.709 3.398 ( 0.413 0.413 0.297) 0.655 3.605 ( -5.671 -5.671 -0.788) 8.059 4.106 ( -2.876 -2.876 3.834) 5.590 4.400 ( 5.189 5.189 1.063) 7.415 4.486 ( 12.638 12.638 0.876) 17.894 4.734 ( 11.063 11.063 -7.946) 17.548 4.973 ( 14.088 14.088 1.953) 20.019 4.996 ( -19.762 -19.762 4.415) 28.294 5.231 ( 14.605 14.605 1.937) 20.745 5.534 ( 4.901 4.901 0.412) 6.944 5.620 ( -21.073 -21.073 12.612) 32.361 6.479 ( -0.980 -0.980 1.295) 1.897 6.857 ( 3.328 3.328 -37.279) 37.575 6.868 ( 3.144 3.144 6.472) 7.852 7.126 ( -5.940 -5.940 3.281) 9.018 7.249 ( 1.980 1.980 -0.903) 2.943 7.265 ( -3.593 -3.593 -20.282) 20.909 7.577 ( -5.320 -5.320 1.947) 7.772 7.661 ( -0.691 -0.691 4.370) 4.478 7.924 ( -3.755 -3.755 -4.909) 7.232 8.233 ( -9.812 -9.812 -3.636) 14.345 8.345 ( 9.226 9.226 -3.300) 13.458 8.848 ( 0.694 0.694 6.782) 6.852 9.338 ( 5.924 5.924 9.600) 12.741 9.949 ( 4.077 4.077 -7.432) 9.406 10.000 ( -5.609 -5.609 3.258) 8.575 10.641 ( -2.130 -2.130 -5.063) 5.891 12.731 ( 2.308 2.308 10.434) 10.933 13.226 ( 1.488 1.488 8.182) 8.448 13.783 ( 1.606 1.606 -5.122) 5.603 14.212 ( -0.578 -0.578 1.132) 1.396 14.347 ( 2.267 2.267 -5.262) 6.162 14.436 ( -3.523 -3.523 4.150) 6.484 14.622 ( -2.603 -2.603 8.638) 9.390 15.509 ( -9.219 -9.219 -4.812) 13.897 15.957 ( -1.417 -1.417 6.457) 6.761 16.352 ( 0.839 0.839 1.093) 1.613 16.523 ( -2.590 -2.590 -5.292) 6.436 17.212 ( 2.159 2.159 -0.518) 3.097 17.613 ( -11.311 -11.311 0.756) 16.014 18.196 ( -10.395 -10.395 0.235) 14.703 18.797 ( 0.083 0.083 -2.140) 2.144 19.085 ( 0.318 0.318 1.949) 2.000 19.180 ( -1.211 -1.211 0.745) 1.867 19.484 ( -5.350 -5.350 -1.098) 7.645 20.613 ( 2.878 2.878 1.273) 4.264 20.868 ( -0.384 -0.384 -2.143) 2.211 21.810 ( 10.165 10.165 4.886) 15.183 22.412 ( -0.507 -0.507 -1.969) 2.096 22.507 ( -0.775 -0.775 -3.074) 3.263 22.818 ( -3.867 -3.867 -0.287) 5.476 ======================= Grid point 158 (38/63) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 28.065 -8.576 5.727) 29.899 2.977 ( 4.231 -3.930 -3.796) 6.910 3.307 ( 16.009 8.664 24.338) 30.392 3.432 ( -3.423 -5.498 -0.656) 6.510 3.460 ( -0.931 -6.422 -1.196) 6.598 3.956 ( -11.258 -7.468 3.954) 14.076 4.443 ( -11.195 -9.727 -2.917) 15.115 4.652 ( -1.073 0.168 1.375) 1.752 4.814 ( -9.538 2.646 3.215) 10.407 4.830 ( 9.671 7.760 5.587) 13.600 4.967 ( -5.392 -7.375 4.855) 10.346 5.306 ( 11.144 7.371 1.665) 13.465 5.580 ( 2.916 12.066 1.616) 12.518 5.720 ( 12.013 13.106 2.466) 17.949 6.478 ( 1.731 -0.514 1.080) 2.104 6.821 ( -2.318 6.834 -11.901) 13.918 6.965 ( -5.112 -4.185 -8.269) 10.584 7.034 ( 0.915 1.416 -10.632) 10.765 7.139 ( -4.352 0.642 -15.591) 16.200 7.300 ( 3.817 1.927 -1.120) 4.420 7.491 ( -3.870 -7.487 -3.870) 9.274 7.655 ( -0.662 -1.165 1.226) 1.817 7.846 ( -4.200 -3.380 -3.648) 6.510 8.000 ( -12.994 -7.100 -3.371) 15.186 8.545 ( 10.666 4.693 3.368) 12.130 8.869 ( 0.800 -2.711 5.323) 6.027 9.456 ( 6.083 3.578 14.457) 16.088 9.871 ( -7.384 -3.417 3.209) 8.746 10.059 ( 7.345 3.438 -8.471) 11.727 10.564 ( -5.904 0.774 -5.494) 8.101 12.819 ( 6.517 4.627 9.540) 12.445 13.214 ( -2.835 4.657 8.498) 10.096 13.864 ( 6.422 4.114 -4.366) 8.788 14.215 ( 0.255 1.626 -1.373) 2.144 14.331 ( -2.837 0.912 0.363) 3.002 14.444 ( 3.477 -1.332 -1.205) 3.913 14.565 ( -2.488 -2.351 6.715) 7.537 15.242 ( -16.824 -0.063 -4.428) 17.398 15.972 ( 3.158 3.102 5.857) 7.341 16.329 ( -4.061 3.310 1.025) 5.338 16.535 ( 4.658 -0.517 -4.619) 6.580 17.298 ( -15.949 -0.900 -0.470) 15.982 17.339 ( 6.744 -6.502 -0.211) 9.370 17.976 ( -11.681 -10.839 -0.107) 15.935 18.883 ( 6.806 -7.888 -2.488) 10.711 19.077 ( -0.552 0.964 0.692) 1.308 19.182 ( 0.478 -5.298 1.558) 5.543 19.375 ( -5.820 -6.534 0.111) 8.751 20.674 ( 3.413 1.425 0.611) 3.749 20.848 ( -1.676 -0.994 -1.477) 2.445 21.989 ( 8.407 5.586 3.888) 10.817 22.357 ( -4.277 -2.154 1.186) 4.933 22.530 ( 2.304 -0.765 -4.167) 4.823 22.737 ( -4.328 -3.936 -0.775) 5.902 ======================= Grid point 159 (39/63) ======================= q-point: ( 0.45 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 31.677 -16.189 -1.184) 35.594 3.085 ( 6.986 -7.355 0.303) 10.148 3.243 ( -9.225 -8.764 1.637) 12.829 3.483 ( -10.437 -5.828 -3.035) 12.333 3.626 ( 13.699 -2.390 17.599) 22.430 3.742 ( -4.521 -17.004 -5.255) 18.362 4.150 ( -12.100 -12.348 6.013) 18.304 4.239 ( -21.976 -11.077 24.506) 34.730 4.900 ( 8.203 9.069 -2.233) 12.431 4.985 ( -0.269 3.310 -2.321) 4.052 5.093 ( 13.580 13.795 6.300) 20.356 5.320 ( -8.296 14.125 4.367) 16.953 5.721 ( 9.485 10.464 -0.271) 14.126 5.835 ( -0.756 11.083 -0.749) 11.134 6.572 ( 7.941 -0.387 0.155) 7.952 6.744 ( -7.772 -0.267 -0.981) 7.839 6.858 ( -1.126 4.839 -12.506) 13.457 6.920 ( -6.514 5.873 -14.805) 17.208 7.251 ( 8.751 -3.684 -14.678) 17.482 7.396 ( -4.557 -4.555 -9.978) 11.877 7.421 ( 6.868 -0.432 -2.937) 7.482 7.595 ( -7.347 2.285 -0.313) 7.701 7.772 ( -2.186 -5.561 -2.073) 6.325 7.802 ( -5.322 -6.101 -2.626) 8.511 8.734 ( 8.343 0.665 7.330) 11.126 8.850 ( -3.341 -2.286 7.074) 8.150 9.577 ( 6.751 0.451 11.339) 13.204 9.721 ( -7.865 -1.713 5.927) 9.996 10.229 ( 9.768 3.970 -7.937) 13.197 10.417 ( -9.042 3.084 -6.441) 11.522 12.967 ( 8.275 6.150 9.084) 13.741 13.118 ( -6.804 6.353 8.837) 12.835 14.012 ( 8.268 5.860 -4.390) 11.044 14.159 ( -6.222 6.127 -4.659) 9.897 14.338 ( 3.675 -3.808 4.086) 6.686 14.428 ( -4.706 -3.304 3.929) 6.964 14.644 ( 10.523 1.597 -1.409) 10.736 14.911 ( -16.300 2.884 -3.346) 16.888 16.073 ( 6.795 5.831 4.489) 10.016 16.214 ( -7.174 5.594 2.365) 9.399 16.691 ( 11.067 0.924 -3.497) 11.643 16.957 ( -16.224 1.862 -1.892) 16.440 17.537 ( 11.008 -10.592 -0.555) 15.286 17.753 ( -11.315 -11.404 -0.416) 16.070 19.008 ( 5.185 -7.550 -3.411) 9.774 19.066 ( -1.107 -2.251 -2.032) 3.228 19.196 ( 1.708 -5.765 3.564) 6.990 19.266 ( -5.129 -7.065 2.162) 8.994 20.742 ( 3.468 -0.052 -0.124) 3.470 20.804 ( -2.847 -0.958 -0.834) 3.117 22.138 ( 6.971 1.999 2.993) 7.845 22.260 ( -5.682 -0.598 2.089) 6.083 22.584 ( 3.268 -2.568 -2.942) 5.092 22.655 ( -4.028 -3.635 -1.758) 5.704 ======================= Grid point 169 (40/63) ======================= q-point: ( 0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 8.162 8.162 6.673) 13.333 2.934 ( -0.334 -0.334 -3.108) 3.143 3.249 ( -9.609 -9.609 1.754) 13.702 3.423 ( 0.813 0.813 -5.558) 5.676 3.498 ( 8.662 8.662 20.036) 23.484 3.711 ( -18.924 -18.924 -4.103) 27.075 4.156 ( -15.288 -15.288 2.541) 21.769 4.379 ( -18.678 -18.678 26.816) 37.641 4.915 ( 7.823 7.823 -0.035) 11.063 4.984 ( 4.200 4.200 -1.828) 6.215 5.096 ( 15.863 15.863 6.725) 23.420 5.512 ( 9.282 9.282 1.106) 13.174 5.782 ( 8.985 8.985 1.675) 12.817 5.962 ( 9.550 9.550 -2.723) 13.777 6.477 ( 1.154 1.154 1.097) 1.967 6.831 ( -6.053 -6.053 0.556) 8.578 6.952 ( 1.080 1.080 -37.445) 37.476 7.054 ( 3.241 3.241 3.215) 5.599 7.105 ( -4.046 -4.046 -29.303) 29.856 7.335 ( 2.242 2.242 -0.443) 3.201 7.360 ( -5.332 -5.332 1.651) 7.719 7.644 ( 0.181 0.181 1.367) 1.391 7.782 ( -4.085 -4.085 -3.044) 6.530 7.821 ( -10.079 -10.079 -2.296) 14.437 8.649 ( 5.719 5.719 10.577) 13.315 8.839 ( -0.797 -0.797 7.765) 7.847 9.516 ( 2.877 2.877 12.751) 13.385 9.786 ( -5.131 -5.131 2.658) 7.728 10.168 ( 7.376 7.376 -8.654) 13.554 10.550 ( -2.421 -2.421 -5.638) 6.596 12.943 ( 7.841 7.841 8.791) 14.151 13.273 ( 0.904 0.904 8.378) 8.475 13.986 ( 8.164 8.164 -4.106) 12.254 14.219 ( -0.151 -0.151 2.830) 2.838 14.376 ( -0.344 -0.344 -1.293) 1.382 14.428 ( 1.817 1.817 -5.117) 5.726 14.505 ( -2.354 -2.354 6.015) 6.874 15.143 ( -9.775 -9.775 -4.316) 14.482 16.066 ( 6.407 6.407 4.818) 10.262 16.386 ( 0.819 0.819 1.081) 1.584 16.545 ( 3.367 3.367 -4.020) 6.232 17.190 ( -10.308 -10.308 0.460) 14.584 17.287 ( 1.616 1.616 -0.454) 2.330 17.754 ( -11.494 -11.494 -0.299) 16.258 18.817 ( 0.786 0.786 -2.117) 2.391 19.089 ( -3.757 -3.757 -2.307) 5.792 19.100 ( 0.424 0.424 1.818) 1.915 19.253 ( -5.695 -5.695 2.238) 8.359 20.704 ( 1.650 1.650 0.069) 2.335 20.820 ( -1.870 -1.870 -1.064) 2.851 22.088 ( 4.678 4.678 3.076) 7.295 22.307 ( -2.920 -2.920 1.346) 4.343 22.524 ( 0.199 0.199 -3.135) 3.148 22.658 ( -4.054 -4.054 -0.849) 5.796 ======================= Grid point 170 (41/63) ======================= q-point: ( 0.45 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 23.154 -11.945 2.947) 26.220 2.967 ( 3.776 -4.580 -1.047) 6.027 3.079 ( -7.542 -7.720 0.796) 10.822 3.220 ( -28.007 -21.572 -3.278) 35.503 3.495 ( 5.123 -5.777 -6.266) 9.944 3.590 ( -1.596 -3.451 3.201) 4.970 3.977 ( -0.367 -3.975 19.675) 20.075 4.100 ( -10.683 -4.438 30.268) 32.403 5.030 ( 3.545 4.897 0.604) 6.076 5.047 ( 1.634 3.055 0.650) 3.525 5.391 ( 13.416 15.241 6.219) 21.235 5.570 ( -3.837 10.792 4.503) 12.307 5.946 ( 7.743 11.453 -1.498) 13.905 6.044 ( -1.225 9.680 -3.627) 10.410 6.550 ( 6.368 -1.366 0.324) 6.521 6.693 ( -7.674 -3.999 -0.030) 8.654 6.946 ( 0.310 2.632 -30.838) 30.952 6.996 ( -4.800 1.343 -28.789) 29.217 7.171 ( 6.104 -3.040 -5.711) 8.894 7.273 ( -4.425 -5.342 -3.326) 7.692 7.416 ( 6.613 -1.351 -0.472) 6.766 7.586 ( -10.015 -4.415 -0.821) 10.976 7.676 ( 1.193 -2.568 -0.675) 2.911 7.724 ( -3.249 -2.280 -2.225) 4.550 8.752 ( 4.551 1.016 14.532) 15.262 8.817 ( -2.035 -1.238 12.328) 12.556 9.582 ( 4.234 0.302 7.478) 8.599 9.680 ( -5.583 -2.346 3.656) 7.074 10.325 ( 8.251 5.404 -7.281) 12.259 10.467 ( -6.075 1.754 -6.161) 8.829 13.104 ( 8.221 7.610 8.504) 14.064 13.236 ( -4.736 5.255 8.462) 11.029 14.157 ( 8.713 8.583 -4.190) 12.928 14.249 ( 3.531 -2.806 2.834) 5.327 14.299 ( -5.577 3.212 -2.168) 6.791 14.360 ( -6.652 -0.197 1.995) 6.948 14.637 ( 12.128 -2.515 -2.064) 12.557 14.900 ( -14.111 -4.151 -3.466) 15.112 16.204 ( 7.356 7.444 3.094) 10.913 16.332 ( -5.376 6.181 1.371) 8.306 16.696 ( 11.195 -0.132 -1.954) 11.365 16.945 ( -13.772 -3.249 -0.300) 14.153 17.377 ( 7.092 -5.453 -0.436) 8.957 17.545 ( -9.923 -9.629 -0.415) 13.833 18.884 ( 5.243 -4.553 -2.498) 7.380 18.993 ( -5.591 -5.307 -3.290) 8.382 19.124 ( 1.547 -1.671 2.280) 3.223 19.167 ( -3.136 -3.219 3.126) 5.474 20.739 ( 1.990 -0.151 -0.359) 2.028 20.780 ( -2.175 -1.423 -0.719) 2.697 22.172 ( 4.026 1.582 2.429) 4.961 22.245 ( -3.497 -0.942 1.817) 4.052 22.541 ( 1.620 -1.760 -2.224) 3.266 22.587 ( -3.127 -3.213 -1.428) 4.706 ======================= Grid point 181 (42/63) ======================= q-point: ( 0.45 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 2.924 2.924 4.459) 6.081 2.814 ( -17.553 -17.553 1.988) 24.903 2.918 ( -0.284 -0.284 -1.538) 1.590 2.959 ( -4.369 -4.369 -0.716) 6.220 3.449 ( 0.391 0.391 -8.070) 8.089 3.500 ( -4.501 -4.501 -6.800) 9.315 3.976 ( 2.348 2.348 28.594) 28.787 4.032 ( -3.110 -3.110 30.467) 30.783 5.094 ( 1.461 1.461 3.109) 3.733 5.094 ( 1.614 1.614 3.128) 3.873 5.635 ( 8.844 8.844 6.634) 14.158 5.703 ( 2.095 2.095 5.932) 6.631 6.127 ( 6.546 6.546 -2.844) 9.684 6.172 ( 2.483 2.483 -4.649) 5.826 6.544 ( 1.461 1.461 0.150) 2.071 6.608 ( -4.454 -4.454 -0.395) 6.311 6.953 ( -0.394 -0.394 -40.239) 40.243 6.974 ( -2.385 -2.385 -38.746) 38.893 7.167 ( 1.795 1.795 0.665) 2.625 7.206 ( -2.188 -2.188 0.551) 3.143 7.406 ( 1.145 1.145 -0.194) 1.631 7.472 ( -5.450 -5.450 -0.430) 7.720 7.667 ( 0.599 0.599 -1.381) 1.620 7.689 ( -1.532 -1.532 -2.094) 3.013 8.773 ( 1.146 1.146 18.368) 18.440 8.795 ( -1.122 -1.122 17.082) 17.155 9.598 ( 1.383 1.383 4.015) 4.466 9.634 ( -2.261 -2.261 2.784) 4.240 10.421 ( 4.130 4.130 -6.476) 8.721 10.474 ( -1.203 -1.203 -6.107) 6.340 13.240 ( 5.657 5.657 8.398) 11.598 13.296 ( 0.289 0.289 8.459) 8.469 14.196 ( -0.359 -0.359 2.226) 2.283 14.236 ( -4.080 -4.080 2.210) 6.179 14.347 ( 9.339 9.339 -3.731) 13.724 14.479 ( 0.703 0.703 -5.019) 5.117 14.585 ( 3.170 3.170 -0.991) 4.591 14.760 ( -9.641 -9.641 -2.926) 13.944 16.343 ( 6.193 6.193 1.691) 8.920 16.410 ( 0.347 0.347 1.054) 1.163 16.721 ( 3.971 3.971 -0.474) 5.636 16.840 ( -6.920 -6.920 0.222) 9.789 17.331 ( 0.598 0.598 -0.359) 0.918 17.394 ( -5.707 -5.707 -0.364) 8.079 18.844 ( 0.454 0.454 -1.984) 2.086 18.893 ( -4.298 -4.298 -2.376) 6.527 19.113 ( 0.200 0.200 1.594) 1.619 19.127 ( -1.214 -1.214 2.043) 2.668 20.740 ( 0.350 0.350 -0.508) 0.710 20.754 ( -1.101 -1.101 -0.616) 1.675 22.200 ( 1.327 1.327 2.107) 2.821 22.224 ( -1.178 -1.178 1.889) 2.519 22.521 ( -0.126 -0.126 -1.788) 1.797 22.538 ( -1.770 -1.770 -1.507) 2.922 ======================= Grid point 242 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 0.000 32.504) 32.504 1.492 ( 0.000 0.000 32.504) 32.504 2.153 ( 0.000 -0.000 -28.237) 28.237 2.153 ( -0.000 0.000 -28.237) 28.237 3.245 ( -0.000 -0.000 71.974) 71.974 3.352 ( 0.000 0.000 23.061) 23.061 3.628 ( 0.000 0.000 4.332) 4.332 3.628 ( 0.000 0.000 4.332) 4.332 3.894 ( 0.000 0.000 -26.512) 26.512 4.672 ( 0.000 0.000 -55.230) 55.230 5.049 ( -0.000 -0.000 -2.725) 2.725 5.049 ( 0.000 0.000 -2.725) 2.725 5.620 ( 0.000 0.000 24.408) 24.408 6.361 ( 0.000 0.000 -37.293) 37.293 6.461 ( 0.000 0.000 1.285) 1.285 6.461 ( 0.000 0.000 1.285) 1.285 7.068 ( 0.000 -0.000 -0.329) 0.329 7.068 ( 0.000 0.000 -0.329) 0.329 7.348 ( 0.000 0.000 24.550) 24.550 7.635 ( 0.000 -0.000 4.635) 4.635 7.635 ( -0.000 -0.000 4.635) 4.635 7.841 ( -0.000 0.000 -1.507) 1.507 7.841 ( 0.000 -0.000 -1.507) 1.507 7.850 ( 0.000 0.000 -21.402) 21.402 8.648 ( 0.000 -0.000 -2.942) 2.942 8.648 ( 0.000 0.000 -2.942) 2.942 8.900 ( -0.000 -0.000 21.470) 21.470 9.197 ( -0.000 -0.000 -6.559) 6.559 10.550 ( 0.000 0.000 7.369) 7.369 10.698 ( 0.000 0.000 -6.117) 6.117 13.244 ( 0.000 0.000 5.908) 5.908 13.244 ( 0.000 0.000 5.908) 5.908 14.045 ( -0.000 0.000 -4.724) 4.724 14.045 ( 0.000 0.000 -4.724) 4.724 14.934 ( -0.000 -0.000 4.404) 4.404 15.026 ( -0.000 -0.000 -3.950) 3.950 16.326 ( 0.000 0.000 0.597) 0.597 16.326 ( 0.000 0.000 0.597) 0.597 17.033 ( 0.000 0.000 -0.149) 0.149 17.033 ( 0.000 0.000 -0.149) 0.149 17.085 ( 0.000 0.000 4.150) 4.150 17.182 ( -0.000 -0.000 -4.672) 4.672 18.848 ( 0.000 0.000 -0.687) 0.687 18.848 ( 0.000 0.000 -0.687) 0.687 19.100 ( -0.000 -0.000 0.579) 0.579 19.100 ( 0.000 0.000 0.579) 0.579 19.288 ( -0.000 -0.000 4.407) 4.407 19.389 ( -0.000 -0.000 -4.632) 4.632 19.882 ( 0.000 0.000 2.555) 2.555 19.918 ( 0.000 0.000 -0.653) 0.653 20.661 ( 0.000 0.000 4.730) 4.730 20.758 ( -0.000 -0.000 -4.166) 4.166 23.053 ( -0.000 -0.000 1.494) 1.494 23.082 ( 0.000 0.000 -1.070) 1.070 ======================= Grid point 243 (44/63) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 16.000 0.000 28.645) 32.811 1.729 ( 22.699 0.000 26.150) 34.627 2.256 ( 10.323 0.000 -25.985) 27.961 2.292 ( 13.913 0.000 -24.922) 28.543 3.402 ( 13.440 0.000 57.395) 58.947 3.458 ( 12.159 0.000 28.566) 31.046 3.628 ( 0.053 0.000 3.811) 3.811 3.662 ( 3.960 0.000 5.406) 6.701 3.963 ( 6.956 0.000 -23.956) 24.946 4.719 ( 3.816 0.000 -43.188) 43.356 5.048 ( -1.391 0.000 -4.538) 4.746 5.054 ( 0.676 0.000 -6.923) 6.956 5.609 ( -0.699 0.000 18.409) 18.422 6.224 ( -9.238 0.000 -24.451) 26.138 6.549 ( 7.159 0.000 1.296) 7.275 6.594 ( 6.120 0.000 -6.975) 9.279 7.098 ( 3.548 0.000 2.717) 4.469 7.210 ( 12.961 0.000 -8.681) 15.600 7.305 ( -3.963 0.000 22.142) 22.494 7.578 ( -4.880 0.000 1.229) 5.032 7.622 ( -1.916 0.000 7.814) 8.046 7.790 ( -3.472 0.000 -6.182) 7.090 7.795 ( -3.973 0.000 -2.227) 4.554 7.877 ( 0.650 0.000 -15.650) 15.663 8.604 ( -4.195 0.000 -1.683) 4.520 8.642 ( -0.112 0.000 -6.003) 6.004 8.988 ( 8.477 0.000 20.213) 21.919 9.268 ( 7.049 0.000 -6.122) 9.336 10.524 ( -2.690 0.000 7.482) 7.951 10.676 ( -2.292 0.000 -6.382) 6.781 13.229 ( -1.472 0.000 6.138) 6.312 13.235 ( -0.984 0.000 5.674) 5.759 14.017 ( -2.831 0.000 -4.372) 5.209 14.021 ( -2.442 0.000 -4.790) 5.376 14.889 ( -4.456 0.000 3.689) 5.785 14.965 ( -5.998 0.000 -3.211) 6.804 16.260 ( -26.655 0.000 8.206) 27.890 16.304 ( -3.595 0.000 0.424) 3.620 16.372 ( -18.102 0.000 5.272) 18.854 16.473 ( -33.240 0.000 -2.895) 33.366 17.445 ( 12.487 0.000 3.692) 13.021 17.544 ( 15.576 0.000 -5.251) 16.438 18.206 ( -40.193 0.000 8.873) 41.161 18.338 ( -34.908 0.000 -4.196) 35.159 19.091 ( 8.439 0.000 1.784) 8.626 19.121 ( 7.271 0.000 -0.985) 7.337 19.428 ( -0.319 0.000 9.688) 9.693 19.626 ( 3.041 0.000 -8.444) 8.975 20.180 ( 26.968 0.000 11.082) 29.157 20.480 ( 27.943 0.000 -17.043) 32.731 20.715 ( 7.400 0.000 6.743) 10.012 20.872 ( 18.289 0.000 -8.889) 20.335 22.998 ( -5.103 0.000 2.723) 5.784 23.045 ( -3.584 0.000 -1.656) 3.948 ======================= Grid point 244 (45/63) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 24.273 0.000 22.079) 32.813 2.286 ( 32.895 0.000 15.870) 36.523 2.532 ( 17.537 0.000 -20.678) 27.114 2.662 ( 23.321 0.000 -17.631) 29.236 3.581 ( 5.400 0.000 10.179) 11.522 3.629 ( -0.021 0.000 3.237) 3.237 3.835 ( 15.171 0.000 9.695) 18.004 3.878 ( 27.186 0.000 51.655) 58.372 4.150 ( 11.741 0.000 -18.343) 21.779 4.760 ( -0.350 0.000 -13.666) 13.671 4.972 ( -6.164 0.000 -3.487) 7.082 5.078 ( 0.798 0.000 -8.160) 8.199 5.631 ( 4.590 0.000 -5.564) 7.213 6.013 ( -12.725 0.000 -18.122) 22.143 6.638 ( 0.637 0.000 -1.154) 1.318 6.643 ( -0.505 0.000 -4.008) 4.040 7.169 ( -0.839 0.000 9.576) 9.613 7.244 ( 0.304 0.000 15.947) 15.950 7.327 ( -5.363 0.000 -3.682) 6.505 7.531 ( -7.170 0.000 12.438) 14.356 7.543 ( 0.738 0.000 -10.646) 10.672 7.731 ( -1.326 0.000 -6.427) 6.562 7.751 ( 0.963 0.000 -3.335) 3.471 7.863 ( -1.892 0.000 -15.250) 15.367 8.508 ( -4.685 0.000 2.306) 5.222 8.674 ( 4.142 0.000 -14.612) 15.187 9.195 ( 12.004 0.000 18.045) 21.673 9.445 ( 10.399 0.000 -5.909) 11.961 10.447 ( -5.156 0.000 7.766) 9.322 10.609 ( -4.688 0.000 -6.977) 8.406 13.191 ( -2.351 0.000 6.678) 7.080 13.204 ( -2.171 0.000 5.763) 6.158 13.947 ( -3.945 0.000 -3.946) 5.580 13.958 ( -3.790 0.000 -4.945) 6.231 14.773 ( -7.176 0.000 2.020) 7.455 14.813 ( -9.157 0.000 -1.694) 9.312 15.515 ( -33.747 0.000 21.142) 39.822 15.787 ( -32.043 0.000 -6.521) 32.700 16.278 ( -2.898 0.000 2.881) 4.087 16.322 ( -0.446 0.000 -0.885) 0.991 17.424 ( -24.194 0.000 6.997) 25.185 17.589 ( -20.828 0.000 -8.127) 22.357 17.741 ( 2.011 0.000 7.141) 7.418 17.886 ( -0.214 0.000 -5.724) 5.728 19.266 ( 7.006 0.000 1.893) 7.257 19.292 ( 8.703 0.000 -0.965) 8.756 19.391 ( -1.450 0.000 9.589) 9.698 19.602 ( -3.332 0.000 -8.829) 9.436 20.518 ( 7.429 0.000 6.934) 10.162 20.688 ( 3.580 0.000 -7.890) 8.664 21.063 ( 26.151 0.000 14.558) 29.930 21.434 ( 29.053 0.000 -20.698) 35.672 22.882 ( -6.385 0.000 4.193) 7.638 22.957 ( -5.121 0.000 -2.830) 5.851 ======================= Grid point 245 (46/63) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 26.157 0.000 17.408) 31.420 2.903 ( 21.771 0.000 -12.956) 25.334 2.957 ( 33.661 0.000 6.825) 34.346 3.153 ( 25.859 0.000 -8.829) 27.324 3.627 ( -0.147 0.000 2.334) 2.339 3.662 ( 4.317 0.000 -0.824) 4.395 4.171 ( 17.436 0.000 8.186) 19.262 4.379 ( 10.453 0.000 -10.768) 15.007 4.439 ( 28.036 0.000 33.479) 43.667 4.731 ( -1.564 0.000 -2.747) 3.161 4.849 ( -4.316 0.000 4.055) 5.923 5.032 ( -5.256 0.000 11.579) 12.717 5.740 ( -14.901 0.000 -9.176) 17.500 5.818 ( 13.823 0.000 -32.090) 34.940 6.578 ( -6.103 0.000 -1.323) 6.245 6.589 ( -4.993 0.000 -3.509) 6.103 7.108 ( -2.943 0.000 7.991) 8.516 7.156 ( -10.002 0.000 1.747) 10.153 7.158 ( -11.259 0.000 10.490) 15.388 7.395 ( -7.047 0.000 13.044) 14.826 7.453 ( -8.364 0.000 -15.158) 17.312 7.662 ( -8.058 0.000 -7.435) 10.964 7.821 ( 3.887 0.000 -5.134) 6.439 7.849 ( 0.400 0.000 -10.781) 10.788 8.481 ( 3.545 0.000 10.555) 11.134 8.801 ( 8.053 0.000 -18.764) 20.419 9.424 ( 11.076 0.000 15.058) 18.693 9.636 ( 8.441 0.000 -5.999) 10.356 10.332 ( -6.341 0.000 7.921) 10.146 10.497 ( -6.662 0.000 -7.323) 9.900 13.144 ( -2.340 0.000 7.197) 7.568 13.155 ( -2.711 0.000 6.781) 7.303 13.879 ( -2.752 0.000 -4.574) 5.339 13.886 ( -3.305 0.000 -4.988) 5.984 14.625 ( -7.858 0.000 0.128) 7.859 14.626 ( -9.854 0.000 0.014) 9.854 15.019 ( -17.918 0.000 16.509) 24.364 15.250 ( -22.885 0.000 -5.704) 23.585 16.215 ( -3.544 0.000 5.892) 6.876 16.323 ( 0.613 0.000 -3.229) 3.287 16.915 ( -24.705 0.000 8.066) 25.988 17.125 ( -22.083 0.000 -10.407) 24.412 17.870 ( 7.643 0.000 4.804) 9.028 17.980 ( 5.443 0.000 -4.934) 7.347 19.268 ( -3.512 0.000 8.452) 9.153 19.401 ( 0.920 0.000 -3.279) 3.405 19.458 ( 5.334 0.000 1.880) 5.655 19.547 ( -0.883 0.000 -6.277) 6.338 20.612 ( 3.874 0.000 5.506) 6.732 20.739 ( 2.095 0.000 -5.817) 6.183 21.555 ( 22.975 0.000 14.670) 27.259 21.900 ( 19.449 0.000 -17.133) 25.919 22.761 ( -6.059 0.000 4.751) 7.700 22.856 ( -5.122 0.000 -4.009) 6.504 ======================= Grid point 246 (47/63) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 23.494 0.000 14.593) 27.657 3.287 ( 17.160 0.000 -6.963) 18.519 3.526 ( 8.304 0.000 2.062) 8.556 3.590 ( 23.832 0.000 -2.679) 23.982 3.638 ( 7.590 0.000 6.134) 9.759 3.857 ( 19.077 0.000 -11.252) 22.148 4.428 ( 7.149 0.000 2.862) 7.700 4.502 ( 2.591 0.000 -2.189) 3.392 4.659 ( -2.226 0.000 1.368) 2.612 4.677 ( -6.580 0.000 0.867) 6.637 4.971 ( 1.672 0.000 11.673) 11.792 5.064 ( 18.511 0.000 13.271) 22.776 5.507 ( -3.578 0.000 13.331) 13.803 6.099 ( 12.908 0.000 -30.116) 32.766 6.439 ( -7.061 0.000 -3.412) 7.843 6.461 ( -7.562 0.000 -3.597) 8.374 6.884 ( -15.048 0.000 12.526) 19.579 6.972 ( -8.716 0.000 4.783) 9.942 7.077 ( -0.181 0.000 2.449) 2.456 7.231 ( -9.418 0.000 7.616) 12.112 7.270 ( -9.666 0.000 -16.632) 19.237 7.457 ( -11.961 0.000 -9.177) 15.076 7.843 ( -0.942 0.000 -6.977) 7.040 7.845 ( -0.843 0.000 -8.400) 8.442 8.649 ( 11.964 0.000 13.353) 17.929 8.944 ( 5.731 0.000 -12.651) 13.889 9.606 ( 7.345 0.000 10.389) 12.724 9.747 ( 2.717 0.000 -4.943) 5.641 10.225 ( -4.034 0.000 6.731) 7.847 10.362 ( -6.930 0.000 -6.368) 9.411 13.105 ( -1.612 0.000 7.489) 7.660 13.108 ( -1.929 0.000 7.632) 7.872 13.838 ( -1.602 0.000 -4.869) 5.125 13.842 ( -1.217 0.000 -5.469) 5.603 14.451 ( -7.521 0.000 1.190) 7.614 14.479 ( -6.924 0.000 -1.443) 7.073 14.787 ( -7.123 0.000 9.166) 11.609 14.907 ( -12.645 0.000 -2.048) 12.809 16.149 ( -2.860 0.000 9.248) 9.681 16.349 ( 1.962 0.000 -7.685) 7.931 16.500 ( -17.588 0.000 10.591) 20.531 16.768 ( -14.730 0.000 -12.631) 19.404 18.007 ( 6.188 0.000 2.672) 6.741 18.070 ( 3.721 0.000 -2.831) 4.676 19.207 ( -2.245 0.000 6.899) 7.256 19.342 ( -4.997 0.000 -5.077) 7.123 19.534 ( 2.472 0.000 0.659) 2.558 19.561 ( 0.972 0.000 -2.055) 2.273 20.685 ( 3.594 0.000 3.785) 5.219 20.770 ( 1.037 0.000 -3.889) 4.025 21.939 ( 16.768 0.000 12.046) 20.647 22.203 ( 11.915 0.000 -11.648) 16.663 22.648 ( -5.451 0.000 4.487) 7.060 22.758 ( -5.054 0.000 -5.223) 7.268 ======================= Grid point 247 (48/63) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 15.516 0.000 10.656) 18.823 3.510 ( 5.507 0.000 1.939) 5.838 3.574 ( -0.273 0.000 0.267) 0.382 3.625 ( -2.278 0.000 -1.485) 2.720 4.129 ( 22.900 0.000 1.705) 22.963 4.249 ( 17.126 0.000 -7.240) 18.593 4.451 ( -5.516 0.000 0.872) 5.584 4.499 ( -9.832 0.000 2.628) 10.177 4.530 ( 0.321 0.000 -3.688) 3.702 4.556 ( -6.400 0.000 -1.678) 6.616 5.038 ( 3.507 0.000 6.507) 7.391 5.118 ( -4.744 0.000 0.393) 4.760 5.803 ( 24.293 0.000 25.285) 35.064 6.176 ( -8.778 0.000 4.774) 9.992 6.330 ( -4.424 0.000 -8.369) 9.466 6.337 ( -4.225 0.000 -3.434) 5.444 6.710 ( 1.258 0.000 0.027) 1.258 6.821 ( -7.072 0.000 1.447) 7.218 7.082 ( -4.192 0.000 -0.811) 4.269 7.108 ( 3.752 0.000 -2.879) 4.729 7.108 ( -6.152 0.000 -12.971) 14.357 7.237 ( -9.692 0.000 -8.161) 12.670 7.824 ( -0.541 0.000 -6.793) 6.814 7.827 ( -0.754 0.000 -7.470) 7.507 8.872 ( 9.783 0.000 7.888) 12.567 8.989 ( -1.725 0.000 -1.903) 2.569 9.707 ( 3.342 0.000 3.839) 5.090 9.751 ( -1.498 0.000 -1.807) 2.347 10.194 ( 0.752 0.000 2.555) 2.664 10.247 ( -4.579 0.000 -2.791) 5.363 13.083 ( -0.594 0.000 7.711) 7.734 13.084 ( -0.596 0.000 7.717) 7.740 13.822 ( -0.154 0.000 -5.006) 5.008 13.826 ( -0.507 0.000 -5.462) 5.485 14.356 ( -2.047 0.000 0.165) 2.054 14.372 ( -3.548 0.000 -1.383) 3.808 14.712 ( -0.977 0.000 4.610) 4.712 14.745 ( -4.611 0.000 1.560) 4.868 16.128 ( 1.421 0.000 10.393) 10.489 16.229 ( -9.249 0.000 8.435) 12.518 16.421 ( 4.599 0.000 -7.764) 9.024 16.546 ( -8.585 0.000 -12.008) 14.761 18.098 ( 2.938 0.000 0.824) 3.051 18.117 ( 0.912 0.000 -0.818) 1.226 19.194 ( 1.074 0.000 3.024) 3.209 19.248 ( -4.201 0.000 -1.769) 4.558 19.562 ( 0.723 0.000 -0.071) 0.727 19.569 ( -0.055 0.000 -0.751) 0.753 20.745 ( 2.430 0.000 1.222) 2.720 20.775 ( -0.614 0.000 -1.477) 1.600 22.207 ( 10.910 0.000 8.494) 13.827 22.333 ( -0.217 0.000 -0.646) 0.681 22.583 ( 0.576 0.000 -1.626) 1.725 22.658 ( -5.258 0.000 -6.118) 8.067 ======================= Grid point 254 (49/63) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.573 6.573 29.511) 30.940 2.043 ( 22.262 22.262 22.477) 38.684 2.239 ( 4.182 4.182 -26.358) 27.013 2.518 ( 16.870 16.870 -20.900) 31.717 3.507 ( 4.089 4.089 14.014) 15.160 3.568 ( 14.011 14.011 52.045) 55.689 3.669 ( 5.371 5.371 7.232) 10.488 3.689 ( 4.471 4.471 12.053) 13.611 4.031 ( 6.867 6.867 -21.395) 23.495 4.732 ( -0.012 -0.012 -28.082) 28.082 4.993 ( -1.953 -1.953 -15.143) 15.393 5.124 ( 3.640 3.640 -2.399) 5.679 5.608 ( 0.359 0.359 11.378) 11.389 6.156 ( -7.562 -7.562 -23.907) 26.190 6.486 ( 1.105 1.105 1.069) 1.893 6.795 ( 9.166 9.166 -2.748) 13.250 7.089 ( 1.046 1.046 -0.364) 1.524 7.262 ( -3.951 -3.951 19.588) 20.370 7.297 ( 4.689 4.689 -5.232) 8.447 7.566 ( -0.695 -0.695 4.381) 4.490 7.574 ( -3.049 -3.049 1.328) 4.512 7.737 ( -2.687 -2.687 -8.031) 8.885 7.802 ( -0.670 -0.670 -2.699) 2.860 7.895 ( 0.596 0.596 -12.009) 12.038 8.605 ( -2.356 -2.356 -2.966) 4.461 8.606 ( -0.414 -0.414 -6.892) 6.917 9.007 ( 2.915 2.915 16.168) 16.685 9.369 ( 9.008 9.008 -2.682) 13.019 10.494 ( -3.062 -3.062 7.005) 8.235 10.663 ( -1.490 -1.490 -6.079) 6.434 13.170 ( -3.616 -3.616 5.927) 7.829 13.272 ( 1.343 1.343 5.989) 6.283 13.923 ( -5.565 -5.565 -4.288) 8.962 14.070 ( 1.226 1.226 -4.719) 5.027 14.822 ( -6.874 -6.874 1.792) 9.886 14.913 ( -4.839 -4.839 -1.297) 6.965 15.864 ( -28.342 -28.342 12.801) 42.076 16.253 ( -5.437 -5.437 -0.469) 7.704 16.330 ( 0.247 0.247 0.614) 0.706 16.563 ( -18.104 -18.104 3.003) 25.779 17.056 ( 1.185 1.185 -0.195) 1.687 17.554 ( -22.294 -22.294 0.972) 31.543 18.179 ( 9.446 9.446 -0.185) 13.360 18.506 ( -12.130 -12.130 1.299) 17.203 18.825 ( -1.079 -1.079 -0.774) 1.711 19.102 ( 0.105 0.105 0.676) 0.692 19.409 ( -2.359 -2.359 10.056) 10.595 19.636 ( -0.715 -0.715 -8.309) 8.370 20.381 ( 12.681 12.681 8.630) 19.902 20.625 ( 8.093 8.093 -10.422) 15.479 20.794 ( 11.365 11.365 7.788) 17.859 21.135 ( 24.463 24.463 -14.929) 37.679 22.933 ( -5.582 -5.582 2.125) 8.176 23.031 ( -2.030 -2.030 -0.809) 2.982 ======================= Grid point 255 (50/63) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 22.347 -5.805 23.026) 32.609 2.423 ( 14.302 -3.623 -22.228) 26.679 2.528 ( 27.135 17.626 19.824) 37.947 2.906 ( 22.505 17.678 -15.477) 32.535 3.547 ( 0.861 -2.359 5.332) 5.894 3.686 ( 1.627 3.595 3.004) 4.959 3.900 ( 16.097 7.343 8.706) 19.719 4.018 ( 24.763 13.465 44.073) 52.315 4.218 ( 12.086 7.020 -15.137) 20.603 4.681 ( -4.255 -6.247 -4.207) 8.651 4.980 ( -0.750 0.424 -8.745) 8.787 5.169 ( 0.309 7.565 -1.915) 7.810 5.656 ( 5.719 2.738 -12.026) 13.595 5.951 ( -12.957 -6.811 -16.182) 21.820 6.527 ( 1.351 -2.313 -0.103) 2.681 6.826 ( -5.253 6.491 -3.134) 8.919 7.150 ( 1.125 -2.307 2.354) 3.483 7.176 ( -4.039 -5.458 12.484) 14.211 7.233 ( -8.535 -7.277 4.248) 11.994 7.480 ( -6.287 -2.049 -0.111) 6.614 7.627 ( 2.463 2.340 -2.527) 4.234 7.758 ( -3.106 1.608 -0.977) 3.631 7.762 ( 5.720 4.113 -5.619) 9.012 7.881 ( -1.841 1.028 -11.529) 11.720 8.512 ( -5.306 -0.421 0.025) 5.323 8.671 ( 6.121 0.633 -14.549) 15.797 9.122 ( 8.902 -4.131 12.580) 15.955 9.565 ( 10.225 9.172 -0.590) 13.749 10.410 ( -5.528 -3.634 6.280) 9.121 10.614 ( -3.694 0.189 -5.724) 6.815 13.097 ( -3.652 -5.256 6.451) 9.088 13.282 ( -0.357 3.697 6.146) 7.181 13.819 ( -4.763 -6.622 -4.337) 9.239 14.067 ( -1.371 4.870 -4.631) 6.859 14.641 ( -10.960 -10.571 0.040) 15.227 14.801 ( -6.300 -3.022 0.647) 7.017 15.351 ( -22.704 -11.831 16.357) 30.381 15.886 ( -29.859 3.487 -2.726) 30.185 16.275 ( -5.166 -0.154 2.974) 5.963 16.333 ( -0.070 0.775 0.038) 0.779 17.080 ( -23.338 -20.852 -0.049) 31.296 17.285 ( 14.320 -18.260 0.222) 23.207 17.982 ( -30.644 15.872 -0.236) 34.511 18.256 ( -0.732 19.097 -0.981) 19.136 19.024 ( 11.859 -18.394 -0.511) 21.892 19.210 ( 6.945 -8.493 1.257) 11.043 19.357 ( -1.256 -3.112 8.195) 8.855 19.596 ( -3.067 -0.818 -7.303) 7.963 20.532 ( 4.699 1.186 5.000) 6.964 20.712 ( 2.751 2.070 -6.143) 7.042 21.180 ( 23.569 11.858 11.486) 28.776 21.622 ( 23.028 15.738 -16.560) 32.438 22.812 ( -6.462 -5.696 2.108) 8.868 22.968 ( -4.141 -0.088 -0.846) 4.228 ======================= Grid point 256 (51/63) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 28.334 -10.075 15.112) 33.655 2.766 ( 20.276 -8.818 -15.192) 26.826 3.073 ( 28.586 10.406 16.983) 34.841 3.348 ( 20.886 14.054 -8.223) 26.483 3.567 ( 2.026 -3.499 2.309) 4.656 3.717 ( 2.619 3.080 -3.554) 5.383 4.229 ( 16.405 5.905 3.949) 17.877 4.399 ( 8.587 1.922 5.567) 10.413 4.505 ( 14.266 4.817 -0.236) 15.059 4.671 ( 8.551 -0.535 16.598) 18.679 4.951 ( -0.266 5.515 6.691) 8.675 5.123 ( -3.934 10.114 5.759) 12.286 5.667 ( -15.043 -7.331 -5.892) 17.742 5.848 ( 12.479 2.703 -31.917) 34.376 6.517 ( -2.020 -1.329 -0.821) 2.553 6.640 ( -13.189 -3.685 -0.967) 13.729 6.997 ( -12.312 -8.039 3.204) 15.049 7.095 ( -3.686 -1.761 8.164) 9.129 7.144 ( -3.744 -2.363 -1.912) 4.823 7.340 ( -8.130 -2.295 2.365) 8.772 7.562 ( -8.559 6.109 -4.751) 11.539 7.709 ( -3.412 1.159 0.500) 3.638 7.818 ( -1.058 1.442 -11.177) 11.319 7.901 ( 2.656 5.232 -4.690) 7.511 8.461 ( 2.438 -2.415 7.695) 8.426 8.821 ( 8.313 2.273 -16.050) 18.218 9.330 ( 11.769 -6.108 9.041) 16.048 9.737 ( 7.001 7.112 -0.377) 9.986 10.288 ( -6.617 -4.011 5.764) 9.648 10.518 ( -6.182 1.592 -5.493) 8.422 13.039 ( -2.062 -5.341 7.178) 9.182 13.257 ( -2.117 5.239 6.653) 8.729 13.753 ( -1.843 -5.730 -4.804) 7.702 14.023 ( -2.994 6.851 -4.617) 8.787 14.439 ( -8.835 -9.851 -0.302) 13.236 14.687 ( -5.067 -1.293 1.132) 5.350 15.003 ( -13.821 -1.940 14.343) 20.013 15.338 ( -25.314 7.556 -5.110) 26.907 16.198 ( -3.587 -1.505 5.594) 6.813 16.339 ( 0.777 1.265 -1.761) 2.303 16.682 ( -17.710 -13.516 -0.738) 22.291 17.384 ( -22.888 14.047 -2.436) 26.965 17.582 ( 8.697 -14.613 0.486) 17.012 18.219 ( -2.277 11.234 -0.774) 11.488 19.199 ( 2.771 -10.136 2.040) 10.704 19.229 ( 0.928 -10.285 2.223) 10.563 19.429 ( 4.709 -4.700 2.504) 7.109 19.535 ( -2.277 -1.014 -6.015) 6.511 20.610 ( 3.778 -0.031 4.201) 5.650 20.758 ( 2.000 1.724 -4.595) 5.300 21.610 ( 20.096 5.734 10.915) 23.577 22.000 ( 16.153 8.675 -12.996) 22.474 22.692 ( -5.757 -5.457 2.076) 8.199 22.879 ( -4.959 0.880 -1.460) 5.244 ======================= Grid point 257 (52/63) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 26.338 -7.767 10.887) 29.539 3.165 ( 19.383 -9.808 -6.368) 22.637 3.532 ( 5.116 -2.550 -1.434) 5.893 3.598 ( 9.830 2.158 1.038) 10.118 3.651 ( 14.146 1.815 11.517) 18.332 3.931 ( 19.413 6.729 -10.407) 23.031 4.451 ( 3.653 0.867 1.550) 4.062 4.494 ( 6.591 2.002 -1.205) 6.993 4.552 ( -6.470 -3.921 4.275) 8.690 4.888 ( 5.315 3.851 5.868) 8.803 4.930 ( -2.790 10.501 -0.210) 10.868 5.200 ( 5.449 7.306 7.716) 11.942 5.446 ( 1.413 -4.873 18.823) 19.495 6.091 ( 10.614 -0.491 -29.672) 31.517 6.348 ( -15.529 -11.822 4.066) 19.936 6.485 ( -0.665 2.490 -3.959) 4.724 6.754 ( -11.458 -4.898 -0.234) 12.463 7.018 ( -3.453 -0.455 4.983) 6.079 7.109 ( -0.098 2.303 -3.992) 4.609 7.170 ( -8.849 -1.763 6.249) 10.976 7.354 ( -11.912 6.656 -11.072) 17.572 7.576 ( -9.868 7.917 0.080) 12.652 7.804 ( -0.506 -2.032 -9.100) 9.338 7.877 ( -3.386 1.783 -6.699) 7.715 8.621 ( 11.902 -2.614 10.477) 16.070 8.955 ( 4.766 1.068 -9.011) 10.250 9.549 ( 10.283 -3.051 5.081) 11.868 9.822 ( 1.586 5.092 -0.082) 5.334 10.176 ( -4.159 -4.365 4.571) 7.566 10.381 ( -7.665 1.550 -4.817) 9.184 13.025 ( 0.698 -3.430 7.515) 8.290 13.203 ( -3.359 5.167 7.179) 9.461 13.749 ( 1.328 -3.428 -4.956) 6.171 13.956 ( -3.934 5.867 -4.846) 8.566 14.325 ( -2.561 -4.681 -0.723) 5.385 14.609 ( -3.404 3.136 0.954) 4.725 14.778 ( -10.154 0.551 10.324) 14.491 14.937 ( -15.152 3.475 -4.384) 16.151 16.136 ( -2.473 -1.168 8.858) 9.270 16.370 ( 1.855 1.828 -7.238) 7.692 16.396 ( -11.110 -6.348 3.482) 13.261 16.939 ( -19.960 12.907 -5.232) 24.339 17.795 ( 10.533 -13.906 0.109) 17.445 18.172 ( -2.812 2.779 -0.366) 3.971 19.163 ( -1.552 -3.638 4.083) 5.684 19.273 ( -0.902 -8.313 -2.225) 8.652 19.467 ( 1.193 -3.840 0.165) 4.024 19.536 ( 0.883 -3.979 -1.583) 4.373 20.682 ( 3.628 -0.157 2.783) 4.575 20.786 ( 0.747 1.335 -2.975) 3.346 21.951 ( 15.112 1.571 8.917) 17.617 22.254 ( 9.943 4.404 -8.366) 13.721 22.590 ( -4.536 -4.688 1.736) 6.750 22.778 ( -5.433 0.893 -2.598) 6.088 ======================= Grid point 258 (53/63) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 16.690 -3.595 8.794) 19.204 3.446 ( 9.351 -6.110 1.930) 11.335 3.545 ( -2.715 -3.248 0.545) 4.269 3.606 ( -2.039 -2.342 -2.483) 3.976 4.046 ( 17.187 -5.501 1.511) 18.109 4.301 ( 8.101 -6.544 0.189) 10.416 4.363 ( -2.111 0.815 -4.193) 4.764 4.517 ( 2.508 5.059 0.711) 5.691 4.552 ( 0.033 2.522 -2.539) 3.579 4.716 ( -13.117 11.290 1.808) 17.400 5.031 ( 3.835 0.549 5.399) 6.646 5.110 ( -5.289 -0.973 2.798) 6.062 5.750 ( 18.480 -3.820 21.574) 28.663 6.060 ( -14.106 -11.276 13.610) 22.613 6.240 ( 6.272 -2.066 -17.103) 18.333 6.400 ( -9.500 0.917 -10.176) 13.951 6.720 ( 9.204 2.572 -2.235) 9.815 6.940 ( -9.821 4.371 5.198) 11.941 7.021 ( -0.016 -2.207 -3.276) 3.950 7.107 ( -6.309 4.988 -9.423) 12.389 7.205 ( 3.259 6.119 -4.757) 8.407 7.363 ( -10.875 9.233 -2.254) 14.443 7.800 ( 0.324 -1.926 -7.035) 7.301 7.822 ( -1.993 -0.933 -6.469) 6.833 8.846 ( 10.098 -2.267 6.103) 12.015 8.978 ( -2.906 -1.005 -0.532) 3.121 9.714 ( 6.521 1.705 2.248) 7.105 9.804 ( -2.979 3.995 1.313) 5.154 10.152 ( 1.841 -3.802 1.007) 4.343 10.238 ( -6.509 -0.837 -2.768) 7.123 13.063 ( 3.010 -0.140 7.534) 8.114 13.132 ( -3.830 3.169 7.443) 8.950 13.798 ( 3.479 -0.311 -4.931) 6.043 13.875 ( -4.262 2.965 -4.989) 7.200 14.343 ( 4.354 1.621 -0.653) 4.692 14.483 ( -9.221 7.653 0.391) 11.990 14.677 ( 0.696 -3.087 3.526) 4.738 14.747 ( -6.019 -0.184 1.174) 6.135 16.123 ( 1.676 -0.255 8.993) 9.151 16.209 ( -7.086 -1.232 5.179) 8.863 16.457 ( 6.239 3.424 -7.004) 9.985 16.629 ( -12.096 7.429 -7.782) 16.188 17.975 ( 7.917 -9.724 -0.084) 12.539 18.099 ( -4.975 -4.290 -0.132) 6.570 19.163 ( 1.601 -2.757 1.662) 3.595 19.218 ( -3.591 -3.473 -0.892) 5.074 19.502 ( 2.014 -4.940 0.005) 5.335 19.534 ( -1.055 -4.325 -0.236) 4.458 20.745 ( 2.724 0.049 0.831) 2.848 20.783 ( -1.057 0.653 -1.140) 1.687 22.198 ( 10.388 -0.636 6.335) 12.184 22.338 ( -2.766 0.113 1.147) 2.997 22.564 ( 3.340 -1.379 -3.332) 4.915 22.668 ( -5.934 0.403 -4.073) 7.209 ======================= Grid point 266 (54/63) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 9.223 9.223 23.086) 26.516 2.442 ( 5.837 5.837 -21.595) 23.119 2.904 ( 20.790 20.790 23.681) 37.752 3.281 ( 20.240 20.240 -12.107) 31.079 3.504 ( -1.892 -1.892 3.513) 4.416 3.732 ( 1.400 1.400 -1.677) 2.595 4.114 ( 13.692 13.692 2.898) 19.580 4.313 ( 12.694 12.694 20.418) 27.188 4.414 ( 12.905 12.905 -8.051) 19.947 4.596 ( -0.011 -0.011 9.356) 9.356 4.984 ( 0.824 0.824 5.828) 5.943 5.308 ( 5.587 5.587 -1.411) 8.026 5.733 ( -4.045 -4.045 -15.474) 16.498 5.763 ( -2.492 -2.492 -18.072) 18.413 6.517 ( 0.080 0.080 0.434) 0.448 6.731 ( -15.091 -15.091 2.016) 21.437 7.079 ( -8.240 -8.240 -8.082) 14.181 7.096 ( -2.921 -2.921 11.284) 12.016 7.152 ( 1.385 1.385 0.050) 1.959 7.413 ( -5.140 -5.140 1.056) 7.345 7.650 ( 1.182 1.182 -5.276) 5.534 7.762 ( -1.932 -1.932 1.830) 3.289 7.878 ( -1.465 -1.465 -8.667) 8.911 7.914 ( 10.006 10.006 1.929) 14.282 8.450 ( -5.788 -5.788 -2.919) 8.691 8.747 ( 6.975 6.975 -13.926) 17.065 9.108 ( 3.521 3.521 9.184) 10.446 9.737 ( 7.842 7.842 1.596) 11.205 10.317 ( -5.757 -5.757 4.641) 9.372 10.603 ( -1.616 -1.616 -4.600) 5.137 13.004 ( -4.069 -4.069 6.816) 8.920 13.337 ( 1.869 1.869 6.145) 6.690 13.712 ( -4.044 -4.044 -4.418) 7.227 14.136 ( 2.091 2.091 -4.667) 5.525 14.426 ( -10.274 -10.274 -0.072) 14.531 14.711 ( -5.481 -5.481 1.403) 7.877 15.128 ( -10.732 -10.732 13.967) 20.626 15.802 ( -12.513 -12.513 -3.581) 18.055 16.241 ( -3.779 -3.779 4.218) 6.808 16.346 ( 0.570 0.570 0.648) 1.034 16.723 ( -15.681 -15.681 -2.879) 22.362 17.119 ( 1.983 1.983 -0.283) 2.818 18.072 ( -11.205 -11.205 0.721) 15.863 18.450 ( -0.482 -0.482 -0.690) 0.969 18.780 ( -1.025 -1.025 -0.955) 1.736 19.109 ( 0.228 0.228 0.865) 0.923 19.296 ( -2.364 -2.364 5.881) 6.765 19.564 ( -2.426 -2.426 -5.111) 6.156 20.565 ( 2.255 2.255 3.413) 4.671 20.756 ( 2.285 2.285 -4.252) 5.341 21.464 ( 15.886 15.886 8.777) 24.120 21.930 ( 14.733 14.733 -11.817) 23.954 22.692 ( -6.184 -6.184 1.113) 8.817 22.941 ( -2.670 -2.670 -0.217) 3.782 ======================= Grid point 267 (55/63) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 22.627 -4.663 16.845) 28.592 2.643 ( 14.382 -3.187 -16.625) 22.212 3.316 ( 20.716 14.098 23.773) 34.541 3.476 ( 0.185 -2.849 1.929) 3.446 3.607 ( 7.057 5.942 -0.774) 9.258 3.802 ( 10.841 8.707 -12.414) 18.640 4.387 ( 13.060 9.739 -1.923) 16.405 4.413 ( 2.208 0.466 1.288) 2.598 4.609 ( -1.479 1.726 8.922) 9.207 4.727 ( 15.008 8.642 2.570) 17.508 5.110 ( 12.799 11.403 14.245) 22.288 5.348 ( -2.216 10.330 1.523) 10.674 5.463 ( -13.731 -12.245 3.049) 18.649 5.920 ( 9.741 4.676 -34.021) 35.695 6.378 ( -19.247 -19.447 10.879) 29.445 6.508 ( -0.698 -0.516 -0.155) 0.882 6.889 ( -10.797 -6.140 -16.805) 20.896 7.047 ( -2.258 -1.334 7.785) 8.215 7.169 ( 0.285 3.500 -1.631) 3.872 7.286 ( -7.694 -3.868 1.673) 8.772 7.644 ( -5.291 2.001 -1.883) 5.962 7.692 ( -2.007 -1.704 0.456) 2.672 7.832 ( -2.877 -0.643 -7.276) 7.850 8.064 ( 0.446 10.530 -0.974) 10.584 8.373 ( 2.715 -6.748 2.643) 7.739 8.887 ( 6.430 3.989 -8.488) 11.372 9.269 ( 12.526 1.262 4.145) 13.254 9.855 ( 4.182 4.552 1.821) 6.444 10.193 ( -6.738 -5.590 3.785) 9.538 10.542 ( -4.784 0.631 -4.217) 6.408 12.955 ( -0.650 -2.989 6.995) 7.635 13.349 ( -0.794 4.040 6.339) 7.559 13.673 ( 0.190 -2.209 -4.365) 4.896 14.139 ( -2.272 4.928 -4.338) 6.948 14.284 ( -3.531 -5.829 -0.767) 6.858 14.613 ( -4.067 -5.260 1.870) 6.907 14.942 ( -8.474 -4.098 11.417) 14.797 15.454 ( -21.188 2.340 -5.010) 21.897 16.164 ( -3.527 -1.961 6.837) 7.939 16.360 ( 1.110 0.806 0.197) 1.386 16.474 ( -10.185 -7.732 -5.373) 13.870 17.276 ( 11.431 -9.797 -0.314) 15.058 17.667 ( -25.116 7.288 -0.054) 26.152 18.326 ( -9.258 -1.097 -0.226) 9.325 18.902 ( 8.969 -14.133 -1.021) 16.770 19.126 ( -0.769 -2.630 1.900) 3.335 19.309 ( 3.566 -6.358 3.034) 7.896 19.506 ( -3.366 -2.252 -3.693) 5.482 20.618 ( 3.132 0.924 2.480) 4.101 20.794 ( 1.529 1.767 -2.944) 3.759 21.759 ( 14.097 8.902 7.007) 18.085 22.175 ( 10.544 8.430 -8.149) 15.768 22.581 ( -5.218 -5.648 0.665) 7.718 22.870 ( -4.453 -1.798 -0.362) 4.816 ======================= Grid point 268 (56/63) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 27.710 -11.456 9.121) 31.341 2.970 ( 18.234 -9.427 -8.148) 22.085 3.463 ( 1.389 -4.174 -1.029) 4.518 3.585 ( -4.091 -3.661 -0.165) 5.492 3.734 ( 17.636 6.096 20.338) 27.601 4.062 ( 8.826 3.963 -6.318) 11.555 4.420 ( -3.129 -2.467 0.141) 3.987 4.542 ( 1.832 4.503 1.567) 5.108 4.600 ( 7.005 7.639 -2.763) 10.727 4.996 ( 9.621 9.023 3.963) 13.772 5.104 ( -10.618 -4.384 2.899) 11.847 5.283 ( -8.443 9.859 3.673) 13.490 5.459 ( 14.320 6.120 15.786) 22.174 6.030 ( -9.279 -14.013 -2.554) 17.000 6.110 ( 3.198 -0.954 -12.189) 12.638 6.514 ( 0.586 -0.321 -5.363) 5.404 6.686 ( -8.026 -3.771 -15.605) 17.948 7.016 ( -0.803 0.693 4.216) 4.347 7.103 ( -8.356 -1.795 -0.368) 8.555 7.213 ( 2.776 4.260 0.425) 5.102 7.466 ( -11.041 3.823 -2.980) 12.058 7.667 ( -2.885 1.043 2.764) 4.129 7.776 ( -2.585 -0.970 -7.465) 7.959 7.923 ( -10.041 2.583 -5.630) 11.798 8.568 ( 13.265 -1.888 5.570) 14.511 8.978 ( 2.514 1.092 -2.069) 3.434 9.543 ( 14.356 2.955 2.104) 14.807 9.897 ( 0.137 2.161 1.548) 2.662 10.076 ( -4.474 -5.699 2.642) 7.712 10.415 ( -8.279 1.943 -4.150) 9.463 12.984 ( 3.599 -0.541 6.973) 7.866 13.304 ( -3.774 5.182 6.666) 9.248 13.717 ( 4.110 0.329 -4.193) 5.881 14.057 ( -5.315 4.689 -4.129) 8.202 14.287 ( 3.200 0.282 -1.301) 3.466 14.570 ( -0.163 -5.033 2.035) 5.432 14.789 ( -7.797 -0.826 9.696) 12.469 15.048 ( -19.502 6.521 -6.179) 21.472 16.117 ( -1.037 -0.437 8.649) 8.722 16.311 ( -6.428 -2.023 -2.366) 7.142 16.410 ( 3.909 1.863 -3.999) 5.895 17.177 ( -22.727 10.338 -1.668) 25.023 17.526 ( 12.087 -12.932 -0.258) 17.703 18.143 ( -9.467 -5.749 -0.151) 11.077 19.050 ( 5.612 -12.791 -1.303) 14.029 19.103 ( -0.825 -2.076 1.405) 2.639 19.370 ( 1.841 -7.207 2.921) 7.992 19.447 ( -2.307 -3.990 -2.728) 5.356 20.682 ( 3.415 0.183 1.491) 3.731 20.810 ( -0.017 0.912 -1.857) 2.069 22.004 ( 11.205 3.741 5.465) 13.016 22.338 ( 5.663 3.706 -4.250) 7.991 22.497 ( -2.746 -4.562 -0.319) 5.335 22.773 ( -5.524 -1.545 -1.056) 5.833 ======================= Grid point 269 (57/63) ======================= q-point: ( 0.45 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 21.458 -9.601 4.310) 23.900 3.283 ( 13.679 -10.350 1.005) 17.183 3.450 ( -5.726 -6.426 2.384) 8.931 3.527 ( -1.510 -5.735 -4.249) 7.295 3.939 ( 1.681 -6.542 3.241) 7.492 4.019 ( -7.465 -17.643 -1.397) 19.208 4.463 ( 8.081 5.066 4.709) 10.637 4.620 ( -4.615 4.410 2.077) 6.713 4.673 ( 9.927 10.436 0.288) 14.406 4.911 ( -11.496 5.755 2.917) 13.183 5.078 ( 2.042 5.773 9.104) 10.971 5.157 ( -3.797 8.269 1.733) 9.263 5.704 ( 10.637 -0.715 13.206) 16.972 5.868 ( -6.799 -6.088 13.895) 16.624 6.220 ( 7.015 -0.470 -23.849) 24.864 6.393 ( -10.135 -1.332 -21.664) 23.955 6.728 ( 8.633 -2.477 0.185) 8.984 6.907 ( -9.264 -4.196 1.294) 10.252 7.077 ( 5.430 5.128 -1.591) 7.636 7.244 ( -10.644 6.007 -4.217) 12.929 7.328 ( 8.271 5.960 -0.548) 10.209 7.526 ( -10.761 6.720 1.608) 12.789 7.753 ( 0.413 -2.789 -5.841) 6.486 7.789 ( -3.595 -2.476 -5.114) 6.723 8.811 ( 10.917 -0.648 3.612) 11.517 8.964 ( -4.373 -0.033 1.480) 4.617 9.774 ( 8.138 3.816 4.568) 10.083 9.866 ( -2.850 1.448 3.783) 4.952 10.069 ( 4.703 -4.018 -2.430) 6.646 10.231 ( -10.167 0.833 -4.317) 11.077 13.083 ( 6.221 2.351 6.965) 9.630 13.207 ( -6.060 4.550 6.906) 10.253 13.821 ( 6.218 2.830 -4.308) 8.077 13.944 ( -6.278 4.427 -4.430) 8.868 14.401 ( 8.530 3.284 0.160) 9.142 14.589 ( -4.846 -2.981 4.239) 7.094 14.632 ( -2.019 3.017 2.371) 4.336 14.750 ( -10.281 1.632 -3.503) 10.983 16.132 ( 2.515 1.431 6.771) 7.364 16.204 ( -4.694 1.028 1.819) 5.138 16.536 ( 9.482 4.353 -4.803) 11.486 16.789 ( -16.739 8.174 -3.645) 18.981 17.754 ( 11.174 -12.355 -0.334) 16.662 17.957 ( -9.894 -9.844 -0.244) 13.958 19.102 ( 0.617 -3.362 0.207) 3.424 19.109 ( 0.693 -7.444 -0.970) 7.539 19.391 ( 1.069 -6.497 1.775) 6.820 19.416 ( -1.337 -6.871 -0.460) 7.015 20.746 ( 2.974 -0.103 0.348) 2.996 20.792 ( -1.740 0.162 -0.790) 1.918 22.194 ( 8.417 0.321 3.872) 9.270 22.329 ( -5.268 -1.019 2.003) 5.728 22.540 ( 5.806 -1.160 -3.525) 6.890 22.659 ( -6.128 -1.388 -2.253) 6.675 ======================= Grid point 278 (58/63) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 8.452 8.452 16.292) 20.206 2.659 ( 5.003 5.003 -15.312) 16.868 3.411 ( -2.668 -2.668 0.602) 3.820 3.582 ( 2.227 2.227 6.794) 7.488 3.623 ( 7.659 7.659 19.752) 22.527 4.026 ( 9.133 9.133 -11.544) 17.323 4.419 ( -0.161 -0.161 0.432) 0.488 4.585 ( 0.687 0.687 5.075) 5.167 4.596 ( 10.833 10.833 -3.861) 15.799 4.992 ( 15.687 15.687 0.246) 22.186 5.141 ( -14.680 -14.680 6.024) 21.618 5.352 ( 8.756 8.756 14.403) 18.994 5.544 ( 6.563 6.563 0.360) 9.289 5.971 ( -8.688 -8.688 -16.381) 20.476 6.060 ( -1.866 -1.866 1.611) 3.092 6.489 ( -1.001 -1.001 -0.085) 1.418 6.742 ( -8.444 -8.444 -26.444) 29.016 7.040 ( -0.106 -0.106 7.341) 7.343 7.179 ( -6.190 -6.190 0.181) 8.755 7.232 ( 2.007 2.007 -0.043) 2.838 7.625 ( -5.115 -5.115 1.947) 7.491 7.662 ( -0.253 -0.253 -1.782) 1.818 7.800 ( -2.305 -2.305 -4.954) 5.930 8.157 ( -9.161 -9.161 -2.502) 13.194 8.336 ( 11.166 11.166 2.690) 16.018 8.953 ( 2.855 2.855 -0.212) 4.043 9.402 ( 11.572 11.572 0.313) 16.369 9.908 ( 1.125 1.125 1.563) 2.231 10.077 ( -6.323 -6.323 2.863) 9.390 10.530 ( -2.229 -2.229 -3.873) 4.993 12.938 ( 1.498 1.498 6.566) 6.899 13.406 ( 1.575 1.575 6.230) 6.616 13.676 ( 2.516 2.516 -3.739) 5.162 14.201 ( -1.343 -1.343 -0.829) 2.073 14.224 ( 2.373 2.373 -4.523) 5.632 14.513 ( -4.530 -4.530 1.967) 6.701 14.853 ( -5.089 -5.089 9.322) 11.777 15.384 ( -9.612 -9.612 -5.431) 14.638 16.128 ( -1.319 -1.319 8.359) 8.564 16.373 ( -3.014 -3.014 -7.764) 8.857 16.374 ( 0.843 0.843 0.667) 1.366 17.202 ( 2.162 2.162 -0.323) 3.074 17.629 ( -11.463 -11.463 0.495) 16.219 18.197 ( -10.537 -10.537 -0.075) 14.901 18.759 ( 0.029 0.029 -1.081) 1.081 19.120 ( 0.327 0.327 0.959) 1.065 19.212 ( -2.776 -2.776 1.687) 4.273 19.447 ( -3.704 -3.704 -1.773) 5.531 20.646 ( 1.937 1.937 1.394) 3.074 20.818 ( 0.600 0.600 -1.859) 2.043 21.932 ( 8.570 8.570 5.004) 13.112 22.312 ( 5.700 5.700 -5.121) 9.551 22.482 ( -4.444 -4.444 0.020) 6.284 22.812 ( -4.026 -4.026 -0.171) 5.697 ======================= Grid point 279 (59/63) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 20.297 -6.038 10.809) 23.775 2.829 ( 12.065 -4.466 -9.719) 16.123 3.379 ( -0.345 -4.167 -1.455) 4.427 3.472 ( -7.457 -7.671 1.026) 10.747 3.824 ( 4.375 0.079 15.912) 16.502 3.978 ( -12.362 -10.431 -1.248) 16.223 4.459 ( 2.618 3.177 3.467) 5.382 4.684 ( 8.519 9.815 1.438) 13.076 4.768 ( 5.107 9.283 -2.427) 10.869 4.941 ( -1.824 -4.169 3.098) 5.505 5.231 ( 4.036 11.775 7.581) 14.574 5.419 ( 1.156 -0.820 15.477) 15.542 5.618 ( 2.950 11.321 2.066) 11.880 5.850 ( 0.094 -1.373 5.988) 6.144 6.126 ( 3.617 0.663 -27.789) 28.032 6.484 ( -1.299 -1.806 -7.496) 7.819 6.591 ( -4.644 -5.998 -19.560) 20.979 6.991 ( -7.411 -4.554 3.823) 9.501 7.087 ( -0.007 0.800 1.038) 1.311 7.283 ( 3.953 2.615 -0.378) 4.755 7.483 ( -8.879 -2.141 0.809) 9.169 7.660 ( -0.096 -0.779 0.083) 0.789 7.750 ( -2.809 -1.809 -3.777) 5.043 7.921 ( -13.216 -4.077 -2.825) 14.116 8.597 ( 13.925 5.622 2.346) 15.199 9.000 ( 1.549 1.316 3.131) 3.732 9.659 ( 13.174 8.154 3.698) 15.929 9.908 ( -1.244 -0.442 -0.653) 1.473 9.964 ( -3.851 -5.625 1.112) 6.907 10.446 ( -6.527 0.850 -3.966) 7.684 13.014 ( 6.109 3.717 6.307) 9.535 13.399 ( -2.527 4.302 6.310) 8.044 13.766 ( 6.499 4.722 -3.510) 8.767 14.151 ( -3.621 5.357 -3.037) 7.144 14.303 ( 5.373 0.590 -1.683) 5.662 14.461 ( -0.320 -5.689 1.304) 5.845 14.744 ( -6.046 -3.637 7.734) 10.469 15.121 ( -16.099 -0.175 -5.624) 17.054 16.130 ( 1.655 1.967 7.839) 8.250 16.318 ( -2.952 2.783 -3.671) 5.471 16.433 ( 5.691 0.296 -2.806) 6.352 17.288 ( -13.146 -0.165 -0.341) 13.151 17.335 ( 2.324 -5.645 -0.084) 6.105 17.972 ( -11.986 -10.994 -0.175) 16.266 18.840 ( 6.300 -7.552 -1.176) 9.904 19.087 ( -2.731 0.137 0.295) 2.750 19.218 ( 1.844 -7.590 1.242) 7.908 19.370 ( -4.003 -4.214 -0.382) 5.825 20.690 ( 2.523 0.620 0.657) 2.679 20.815 ( -0.883 -0.358 -1.161) 1.502 22.084 ( 7.115 4.237 3.746) 9.089 22.376 ( -1.522 -0.628 0.001) 1.647 22.435 ( 2.152 -0.860 -3.141) 3.904 22.721 ( -5.241 -3.639 -0.535) 6.403 ======================= Grid point 280 (60/63) ======================= q-point: ( 0.45 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 23.401 -13.780 2.473) 27.269 3.090 ( 14.134 -9.741 0.053) 17.165 3.297 ( -9.236 -9.314 2.881) 13.429 3.395 ( -4.651 -7.644 -4.370) 9.958 3.653 ( -9.779 -18.771 -2.345) 21.295 3.763 ( -12.091 -12.357 -0.758) 17.305 4.547 ( 8.498 4.370 21.190) 23.245 4.726 ( -7.451 6.429 11.667) 15.264 4.882 ( 9.052 10.162 2.273) 13.798 4.990 ( -0.302 4.390 2.494) 5.058 5.243 ( 5.349 10.725 9.554) 15.327 5.399 ( -6.650 14.282 1.852) 15.863 5.735 ( 8.248 4.772 3.362) 10.105 5.849 ( -2.500 2.858 2.815) 4.727 6.207 ( 5.765 -1.377 -28.192) 28.808 6.354 ( -8.739 -2.575 -26.228) 27.765 6.649 ( 7.156 -4.936 -0.146) 8.694 6.814 ( -9.452 -5.309 1.179) 10.905 7.152 ( 6.018 2.170 0.121) 6.398 7.304 ( -9.074 0.385 -0.434) 9.092 7.407 ( 8.885 1.732 -0.161) 9.054 7.605 ( -9.311 1.263 1.308) 9.487 7.699 ( -0.678 -2.773 -3.458) 4.484 7.728 ( -3.893 -3.556 -2.917) 6.026 8.842 ( 10.685 4.001 2.906) 11.774 8.985 ( -3.776 2.192 3.640) 5.684 9.808 ( 2.033 -1.482 8.503) 8.868 9.845 ( -3.074 -3.340 4.109) 6.123 10.052 ( 11.347 3.511 -7.164) 13.871 10.278 ( -10.689 3.455 -4.778) 12.208 13.158 ( 8.192 5.331 6.329) 11.644 13.307 ( -6.660 5.723 6.388) 10.859 13.910 ( 7.862 6.363 -3.767) 10.793 14.052 ( -6.477 6.809 -3.923) 10.183 14.425 ( 6.452 -1.824 3.442) 7.537 14.496 ( 1.662 -4.921 0.459) 5.214 14.649 ( -0.730 -0.915 3.059) 3.275 14.814 ( -14.313 2.830 -4.986) 15.419 16.183 ( 3.473 3.853 4.695) 6.997 16.254 ( -3.595 4.127 0.500) 5.496 16.610 ( 12.698 2.985 -2.949) 13.374 16.916 ( -18.448 4.295 -1.373) 18.991 17.525 ( 11.017 -10.506 -0.358) 15.227 17.744 ( -11.524 -11.447 -0.306) 16.246 18.956 ( 5.103 -7.569 -1.314) 9.222 19.033 ( -3.091 -3.979 -0.842) 5.109 19.254 ( 1.925 -6.669 1.509) 7.103 19.300 ( -3.043 -5.167 0.848) 6.056 20.740 ( 2.584 -0.405 0.014) 2.616 20.786 ( -2.039 -0.782 -0.587) 2.261 22.208 ( 5.693 0.991 2.611) 6.341 22.306 ( -4.494 -1.207 1.569) 4.910 22.515 ( 4.888 -1.435 -2.585) 5.713 22.616 ( -5.437 -2.907 -1.375) 6.317 ======================= Grid point 290 (61/63) ======================= q-point: ( 0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 5.693 5.693 10.092) 12.910 2.812 ( 2.777 2.777 -8.199) 9.091 3.300 ( -9.719 -9.719 2.214) 13.921 3.317 ( -1.917 -1.917 -3.037) 4.072 3.611 ( -18.279 -18.279 -2.631) 25.984 3.779 ( -12.811 -12.811 2.399) 18.276 4.504 ( 4.552 4.552 26.400) 27.174 4.897 ( 10.319 10.319 5.688) 15.663 4.946 ( 1.212 1.212 3.864) 4.227 4.949 ( 7.390 7.390 -1.018) 10.501 5.316 ( 2.943 2.943 22.822) 23.198 5.530 ( 11.120 11.120 0.452) 15.733 5.816 ( 7.339 7.339 1.120) 10.439 5.895 ( 3.129 3.129 -5.935) 7.403 6.115 ( -1.053 -1.053 -33.796) 33.829 6.449 ( -7.041 -7.041 -25.371) 27.255 6.488 ( 1.134 1.134 -0.021) 1.604 6.865 ( -7.792 -7.792 1.801) 11.166 7.112 ( 1.792 1.792 1.618) 3.007 7.325 ( 2.444 2.444 -0.309) 3.471 7.399 ( -5.888 -5.888 1.470) 8.455 7.649 ( -0.361 -0.361 -0.191) 0.545 7.708 ( -2.450 -2.450 -2.691) 4.387 7.775 ( -9.697 -9.697 -1.472) 13.792 8.764 ( 10.343 10.343 2.495) 14.838 9.029 ( 1.502 1.502 5.577) 5.968 9.768 ( 0.621 0.621 9.700) 9.739 9.848 ( -5.223 -5.223 2.232) 7.716 9.971 ( 8.100 8.100 -8.609) 14.330 10.432 ( -2.678 -2.678 -3.920) 5.451 13.125 ( 7.460 7.460 5.945) 12.110 13.455 ( 0.926 0.926 6.208) 6.345 13.893 ( 8.102 8.102 -3.352) 11.938 14.254 ( 2.647 2.647 0.281) 3.755 14.310 ( 1.919 1.919 -4.327) 5.108 14.370 ( -2.644 -2.644 0.510) 3.774 14.654 ( -5.226 -5.226 6.185) 9.637 15.028 ( -8.942 -8.942 -5.029) 13.609 16.190 ( 4.001 4.001 5.511) 7.898 16.407 ( 0.806 0.806 0.660) 1.317 16.436 ( 5.873 5.873 -5.055) 9.723 17.200 ( -10.471 -10.471 0.305) 14.812 17.278 ( 1.669 1.669 -0.284) 2.378 17.748 ( -11.622 -11.622 -0.234) 16.438 18.778 ( 0.837 0.837 -1.081) 1.603 19.053 ( -5.328 -5.328 -0.851) 7.582 19.133 ( 0.314 0.314 0.893) 0.997 19.287 ( -4.170 -4.170 0.830) 5.956 20.707 ( 1.084 1.084 0.153) 1.540 20.797 ( -1.423 -1.423 -0.747) 2.146 22.162 ( 3.735 3.735 2.820) 5.988 22.335 ( -2.571 -2.571 0.888) 3.742 22.449 ( 1.481 1.481 -2.844) 3.532 22.640 ( -4.504 -4.504 -0.606) 6.399 ======================= Grid point 291 (62/63) ======================= q-point: ( 0.45 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 16.250 -8.907 4.991) 19.191 2.931 ( 9.221 -6.028 -2.344) 11.263 3.097 ( -11.590 -11.133 0.389) 16.076 3.202 ( -18.775 -13.821 0.908) 23.331 3.354 ( 2.760 -9.208 -4.524) 10.624 3.510 ( -12.380 -12.218 -5.073) 18.118 4.649 ( 9.351 5.962 33.297) 35.096 4.833 ( -8.948 3.425 28.791) 30.344 5.055 ( 5.014 7.608 2.483) 9.444 5.076 ( 3.082 4.580 3.308) 6.436 5.490 ( 11.867 13.873 1.269) 18.301 5.655 ( -1.696 11.598 1.482) 11.815 5.882 ( 2.195 8.976 -7.913) 12.166 5.927 ( -0.489 4.347 -7.425) 8.618 6.149 ( 5.184 -4.747 -29.579) 30.403 6.289 ( -8.425 -4.479 -24.632) 26.415 6.564 ( 5.945 -3.083 -0.102) 6.698 6.706 ( -8.244 -5.708 0.513) 10.041 7.169 ( 4.341 0.201 0.781) 4.415 7.276 ( -6.332 -2.695 0.821) 6.930 7.406 ( 6.298 -0.965 -0.325) 6.380 7.568 ( -9.858 -4.937 -0.655) 11.045 7.652 ( 0.448 -1.513 -0.910) 1.821 7.674 ( -1.762 -1.995 -1.708) 3.163 8.948 ( 7.621 6.107 4.363) 10.696 9.036 ( -1.521 2.661 5.887) 6.637 9.745 ( -0.986 -3.791 5.749) 6.956 9.764 ( -2.973 -4.294 2.983) 6.015 10.167 ( 10.271 6.852 -5.598) 13.556 10.338 ( -7.021 2.114 -4.298) 8.499 13.284 ( 8.285 7.317 5.967) 12.562 13.417 ( -4.820 5.143 6.144) 9.350 14.060 ( 8.514 8.792 -3.546) 12.742 14.203 ( -5.827 8.234 -3.412) 10.649 14.342 ( 2.723 -4.998 3.536) 6.701 14.404 ( -0.531 -5.018 0.292) 5.055 14.614 ( 4.904 -2.842 0.595) 5.700 14.810 ( -12.339 -3.468 -3.840) 13.380 16.275 ( 4.504 5.353 2.573) 7.454 16.357 ( -3.761 5.898 0.594) 7.020 16.651 ( 13.755 1.589 -1.624) 13.942 16.939 ( -15.201 -2.090 -0.215) 15.345 17.369 ( 7.082 -5.326 -0.271) 8.865 17.536 ( -9.971 -9.557 -0.270) 13.814 18.840 ( 4.730 -3.933 -1.180) 6.263 18.942 ( -5.617 -5.158 -1.280) 7.732 19.163 ( 2.189 -2.608 1.036) 3.559 19.215 ( -3.229 -3.618 1.194) 4.994 20.732 ( 1.546 -0.367 -0.187) 1.600 20.765 ( -1.782 -1.288 -0.463) 2.247 22.228 ( 3.141 1.069 2.050) 3.900 22.284 ( -2.713 -1.001 1.334) 3.185 22.489 ( 2.716 -1.092 -1.915) 3.498 22.555 ( -4.045 -3.139 -1.119) 5.241 ======================= Grid point 302 (63/63) ======================= q-point: ( 0.45 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 1.906 1.906 5.459) 6.089 2.867 ( -11.572 -11.572 1.637) 16.447 2.877 ( 0.736 0.736 -2.189) 2.424 2.964 ( -8.392 -8.392 1.644) 11.981 3.271 ( -0.502 -0.502 -6.237) 6.277 3.327 ( -6.287 -6.287 -6.727) 11.149 4.762 ( 5.309 5.309 39.195) 39.908 4.840 ( -2.336 -2.336 39.606) 39.744 5.160 ( 3.149 3.149 2.199) 4.966 5.164 ( 3.062 3.062 2.756) 5.132 5.738 ( 10.593 10.593 -3.679) 15.426 5.824 ( 3.968 3.968 3.943) 6.859 5.973 ( 1.532 1.532 -25.981) 26.071 6.032 ( -2.479 -2.479 -34.889) 35.065 6.060 ( 4.118 4.118 -2.549) 6.357 6.180 ( -6.292 -6.292 -18.638) 20.653 6.546 ( 1.177 1.177 0.019) 1.664 6.603 ( -4.486 -4.486 -0.012) 6.344 7.180 ( 1.181 1.181 0.382) 1.714 7.219 ( -2.763 -2.763 0.475) 3.936 7.402 ( 1.199 1.199 -0.126) 1.700 7.463 ( -4.859 -4.859 -0.328) 6.879 7.636 ( -0.227 -0.227 -1.030) 1.079 7.644 ( -1.038 -1.038 -1.463) 2.072 9.046 ( 3.423 3.423 6.471) 8.081 9.072 ( 0.611 0.611 7.161) 7.213 9.690 ( -1.442 -1.442 3.299) 3.878 9.698 ( -2.164 -2.164 2.276) 3.814 10.285 ( 4.905 4.905 -4.499) 8.268 10.346 ( -1.347 -1.347 -4.162) 4.577 13.419 ( 5.851 5.851 6.013) 10.229 13.478 ( 0.289 0.289 6.160) 6.174 14.214 ( 4.759 4.759 -1.689) 6.939 14.275 ( -2.490 -2.490 0.978) 3.655 14.296 ( 2.084 2.084 0.560) 3.001 14.363 ( 0.745 0.745 -4.188) 4.319 14.570 ( 1.229 1.229 -0.180) 1.748 14.691 ( -8.054 -8.054 -2.653) 11.695 16.378 ( 4.774 4.774 1.125) 6.845 16.431 ( 0.338 0.338 0.644) 0.802 16.710 ( 5.572 5.572 -0.396) 7.889 16.845 ( -6.960 -6.960 0.145) 9.844 17.324 ( 0.629 0.629 -0.226) 0.918 17.387 ( -5.669 -5.669 -0.228) 8.020 18.808 ( 0.494 0.494 -1.027) 1.242 18.852 ( -3.775 -3.775 -1.139) 5.458 19.142 ( 0.133 0.133 0.783) 0.805 19.162 ( -1.878 -1.878 0.932) 2.815 20.730 ( 0.215 0.215 -0.300) 0.427 20.742 ( -0.988 -0.988 -0.379) 1.447 22.248 ( 0.972 0.972 1.726) 2.206 22.266 ( -0.923 -0.923 1.454) 1.954 22.480 ( 0.308 0.308 -1.525) 1.586 22.503 ( -2.051 -2.051 -1.238) 3.154 =================== 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 3/32670 10.0 2846.814 2846.814 1859.316 -0.000 -0.000 0.000 3/32670 20.0 1594.143 1594.143 1494.227 -0.000 -0.000 0.000 3/32670 30.0 627.051 627.051 603.261 -0.000 -0.000 0.000 3/32670 40.0 321.266 321.266 308.353 0.000 -0.000 0.000 3/32670 50.0 202.684 202.684 191.269 0.000 -0.000 0.000 3/32670 60.0 144.320 144.320 134.645 0.000 -0.000 0.000 3/32670 70.0 110.764 110.764 102.920 0.000 -0.000 0.000 3/32670 80.0 89.322 89.322 83.082 0.000 -0.000 0.000 3/32670 90.0 74.544 74.544 69.596 0.000 -0.000 0.000 3/32670 100.0 63.773 63.773 59.833 0.000 -0.000 0.000 3/32670 110.0 55.587 55.587 52.421 0.000 -0.000 0.000 3/32670 120.0 49.165 49.165 46.592 0.000 -0.000 0.000 3/32670 130.0 43.999 43.999 41.884 0.000 -0.000 0.000 3/32670 140.0 39.762 39.762 38.001 0.000 -0.000 0.000 3/32670 150.0 36.229 36.229 34.745 0.000 -0.000 0.000 3/32670 160.0 33.244 33.244 31.979 0.000 -0.000 0.000 3/32670 170.0 30.693 30.693 29.603 0.000 -0.000 0.000 3/32670 180.0 28.491 28.491 27.542 0.000 -0.000 0.000 3/32670 190.0 26.574 26.574 25.739 0.000 -0.000 0.000 3/32670 200.0 24.892 24.892 24.151 0.000 -0.000 0.000 3/32670 210.0 23.405 23.405 22.743 0.000 -0.000 0.000 3/32670 220.0 22.084 22.084 21.486 0.000 -0.000 0.000 3/32670 230.0 20.902 20.902 20.359 0.000 -0.000 0.000 3/32670 240.0 19.839 19.839 19.343 0.000 -0.000 0.000 3/32670 250.0 18.879 18.879 18.423 0.000 -0.000 0.000 3/32670 260.0 18.008 18.008 17.586 0.000 -0.000 0.000 3/32670 270.0 17.214 17.214 16.822 0.000 -0.000 0.000 3/32670 280.0 16.488 16.488 16.122 0.000 -0.000 0.000 3/32670 290.0 15.822 15.822 15.478 0.000 -0.000 0.000 3/32670 300.0 15.208 15.208 14.884 0.000 -0.000 0.000 3/32670 310.0 14.640 14.640 14.335 0.000 -0.000 0.000 3/32670 320.0 14.115 14.115 13.825 0.000 -0.000 0.000 3/32670 330.0 13.626 13.626 13.351 0.000 -0.000 0.000 3/32670 340.0 13.171 13.171 12.909 0.000 -0.000 0.000 3/32670 350.0 12.746 12.746 12.495 0.000 -0.000 0.000 3/32670 360.0 12.348 12.348 12.108 0.000 -0.000 0.000 3/32670 370.0 11.975 11.975 11.744 0.000 -0.000 0.000 3/32670 380.0 11.624 11.624 11.402 0.000 -0.000 0.000 3/32670 390.0 11.294 11.294 11.080 0.000 -0.000 0.000 3/32670 400.0 10.982 10.982 10.776 0.000 -0.000 0.000 3/32670 410.0 10.688 10.688 10.489 0.000 -0.000 0.000 3/32670 420.0 10.409 10.409 10.217 0.000 -0.000 0.000 3/32670 430.0 10.145 10.145 9.959 0.000 -0.000 0.000 3/32670 440.0 9.895 9.895 9.714 0.000 -0.000 0.000 3/32670 450.0 9.656 9.656 9.481 0.000 -0.000 0.000 3/32670 460.0 9.430 9.430 9.259 0.000 -0.000 0.000 3/32670 470.0 9.213 9.213 9.047 0.000 -0.000 0.000 3/32670 480.0 9.007 9.007 8.845 0.000 -0.000 0.000 3/32670 490.0 8.810 8.810 8.653 0.000 -0.000 0.000 3/32670 500.0 8.622 8.622 8.468 0.000 -0.000 0.000 3/32670 510.0 8.442 8.442 8.292 0.000 -0.000 0.000 3/32670 520.0 8.269 8.269 8.123 0.000 -0.000 0.000 3/32670 530.0 8.104 8.104 7.960 0.000 -0.000 0.000 3/32670 540.0 7.945 7.945 7.805 0.000 -0.000 0.000 3/32670 550.0 7.792 7.792 7.655 0.000 -0.000 0.000 3/32670 560.0 7.645 7.645 7.511 0.000 -0.000 0.000 3/32670 570.0 7.504 7.504 7.372 0.000 -0.000 0.000 3/32670 580.0 7.368 7.368 7.239 0.000 -0.000 0.000 3/32670 590.0 7.237 7.237 7.111 0.000 -0.000 0.000 3/32670 600.0 7.110 7.110 6.987 0.000 -0.000 0.000 3/32670 610.0 6.988 6.988 6.867 0.000 -0.000 0.000 3/32670 620.0 6.871 6.871 6.751 0.000 -0.000 0.000 3/32670 630.0 6.757 6.757 6.640 0.000 -0.000 0.000 3/32670 640.0 6.647 6.647 6.532 0.000 -0.000 0.000 3/32670 650.0 6.540 6.540 6.427 0.000 -0.000 0.000 3/32670 660.0 6.437 6.437 6.326 0.000 -0.000 0.000 3/32670 670.0 6.338 6.338 6.228 0.000 -0.000 0.000 3/32670 680.0 6.241 6.241 6.134 0.000 -0.000 0.000 3/32670 690.0 6.147 6.147 6.042 0.000 -0.000 0.000 3/32670 700.0 6.056 6.056 5.952 0.000 -0.000 0.000 3/32670 710.0 5.968 5.968 5.866 0.000 -0.000 0.000 3/32670 720.0 5.883 5.883 5.782 0.000 -0.000 0.000 3/32670 730.0 5.799 5.799 5.700 0.000 -0.000 0.000 3/32670 740.0 5.719 5.719 5.621 0.000 -0.000 0.000 3/32670 750.0 5.640 5.640 5.544 0.000 -0.000 0.000 3/32670 760.0 5.564 5.564 5.469 0.000 -0.000 0.000 3/32670 770.0 5.489 5.489 5.396 0.000 -0.000 0.000 3/32670 780.0 5.417 5.417 5.325 0.000 -0.000 0.000 3/32670 790.0 5.347 5.347 5.256 0.000 -0.000 0.000 3/32670 800.0 5.278 5.278 5.188 0.000 -0.000 0.000 3/32670 810.0 5.211 5.211 5.123 0.000 -0.000 0.000 3/32670 820.0 5.146 5.146 5.059 0.000 -0.000 0.000 3/32670 830.0 5.083 5.083 4.996 0.000 -0.000 0.000 3/32670 840.0 5.021 5.021 4.936 0.000 -0.000 0.000 3/32670 850.0 4.960 4.960 4.876 0.000 -0.000 0.000 3/32670 860.0 4.901 4.901 4.818 0.000 -0.000 0.000 3/32670 870.0 4.844 4.844 4.762 0.000 -0.000 0.000 3/32670 880.0 4.788 4.788 4.706 0.000 -0.000 0.000 3/32670 890.0 4.733 4.733 4.653 0.000 -0.000 0.000 3/32670 900.0 4.679 4.679 4.600 0.000 -0.000 0.000 3/32670 910.0 4.627 4.627 4.548 0.000 -0.000 0.000 3/32670 920.0 4.575 4.575 4.498 0.000 -0.000 0.000 3/32670 930.0 4.525 4.525 4.449 0.000 -0.000 0.000 3/32670 940.0 4.476 4.476 4.401 0.000 -0.000 0.000 3/32670 950.0 4.428 4.428 4.354 0.000 -0.000 0.000 3/32670 960.0 4.381 4.381 4.307 0.000 -0.000 0.000 3/32670 970.0 4.335 4.335 4.262 0.000 -0.000 0.000 3/32670 980.0 4.290 4.290 4.218 0.000 -0.000 0.000 3/32670 990.0 4.246 4.246 4.175 0.000 -0.000 0.000 3/32670 1000.0 4.203 4.203 4.132 0.000 -0.000 0.000 3/32670 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:27:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|