----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:21:18]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.417604750744706 0.000000000000000 0.000000000000000 b 0.000000000000000 5.512645720000000 0.000000000000000 c -0.435138426012521 0.000000000000000 12.263979209245765 Atomic positions (fractional): *1 Ba 0.38404896585205 0.96687294931008 0.13372220218740 137.327 *2 Ba 0.87875470311220 0.92159535974183 0.15425211876276 137.327 3 Ba 0.12124529688780 0.42159535974183 0.34574788123724 137.327 4 Ba 0.61595103414796 0.46687294931008 0.36627779781260 137.327 5 Ba 0.38404896585205 0.53312705068992 0.63372220218740 137.327 6 Ba 0.87875470311220 0.57840464025817 0.65425211876276 137.327 7 Ba 0.12124529688780 0.07840464025817 0.84574788123724 137.327 8 Ba 0.61595103414796 0.03312705068992 0.86627779781260 137.327 *9 B 0.66068718281171 0.46557418478446 0.07853924575303 10.811 *10 B 0.16481168966015 0.43847036611722 0.09592027584229 10.811 11 B 0.83518831033985 0.93847036611722 0.40407972415771 10.811 12 B 0.33931281718829 0.96557418478446 0.42146075424697 10.811 13 B 0.66068718281171 0.03442581521554 0.57853924575303 10.811 14 B 0.16481168966015 0.06152963388278 0.59592027584229 10.811 15 B 0.83518831033985 0.56152963388278 0.90407972415771 10.811 16 B 0.33931281718829 0.53442581521554 0.92146075424697 10.811 *17 O 0.74420620032220 0.60471451096250 0.99841807208965 15.999 *18 O 0.64877153671499 0.21963377878828 0.07181689378026 15.999 *19 O 0.11033252360284 0.22952427934681 0.14245553591052 15.999 *20 O 0.14496622634191 0.66037909832111 0.14138386057143 15.999 *21 O 0.60547307570610 0.60854875961343 0.16019040474450 15.999 22 O 0.39452692429390 0.10854875961343 0.33980959525550 15.999 23 O 0.85503377365809 0.16037909832111 0.35861613942857 15.999 24 O 0.88966747639716 0.72952427934681 0.35754446408948 15.999 25 O 0.35122846328501 0.71963377878828 0.42818310621974 15.999 26 O 0.74420620032220 0.89528548903750 0.49841807208965 15.999 27 O 0.25579379967781 0.10471451096250 0.50158192791035 15.999 28 O 0.64877153671499 0.28036622121172 0.57181689378026 15.999 29 O 0.11033252360284 0.27047572065319 0.64245553591052 15.999 30 O 0.14496622634191 0.83962090167889 0.64138386057143 15.999 31 O 0.60547307570610 0.89145124038657 0.66019040474450 15.999 32 O 0.39452692429390 0.39145124038657 0.83980959525550 15.999 33 O 0.85503377365809 0.33962090167888 0.85861613942857 15.999 34 O 0.88966747639716 0.77047572065319 0.85754446408948 15.999 35 O 0.35122846328501 0.78036622121172 0.92818310621974 15.999 36 O 0.25579379967781 0.39528548903750 0.00158192791035 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.417604750744706 0.000000000000000 0.000000000000000 b 0.000000000000000 5.512645720000000 0.000000000000000 c -0.435138426012521 0.000000000000000 12.263979209245765 Atomic positions (fractional): *1 Ba 0.38404896585205 0.96687294931008 0.13372220218740 137.327 > 1 *2 Ba 0.87875470311220 0.92159535974183 0.15425211876276 137.327 > 2 3 Ba 0.12124529688780 0.42159535974183 0.34574788123724 137.327 > 3 4 Ba 0.61595103414796 0.46687294931008 0.36627779781260 137.327 > 4 5 Ba 0.38404896585205 0.53312705068992 0.63372220218740 137.327 > 5 6 Ba 0.87875470311220 0.57840464025817 0.65425211876276 137.327 > 6 7 Ba 0.12124529688780 0.07840464025817 0.84574788123724 137.327 > 7 8 Ba 0.61595103414796 0.03312705068992 0.86627779781260 137.327 > 8 *9 B 0.66068718281171 0.46557418478446 0.07853924575303 10.811 > 9 *10 B 0.16481168966015 0.43847036611722 0.09592027584229 10.811 > 10 11 B 0.83518831033985 0.93847036611722 0.40407972415771 10.811 > 11 12 B 0.33931281718829 0.96557418478446 0.42146075424697 10.811 > 12 13 B 0.66068718281171 0.03442581521554 0.57853924575303 10.811 > 13 14 B 0.16481168966015 0.06152963388278 0.59592027584229 10.811 > 14 15 B 0.83518831033985 0.56152963388278 0.90407972415771 10.811 > 15 16 B 0.33931281718829 0.53442581521554 0.92146075424697 10.811 > 16 *17 O 0.74420620032220 0.60471451096250 0.99841807208965 15.999 > 17 *18 O 0.64877153671499 0.21963377878828 0.07181689378026 15.999 > 18 *19 O 0.11033252360284 0.22952427934681 0.14245553591052 15.999 > 19 *20 O 0.14496622634191 0.66037909832111 0.14138386057143 15.999 > 20 *21 O 0.60547307570610 0.60854875961343 0.16019040474450 15.999 > 21 22 O 0.39452692429390 0.10854875961343 0.33980959525550 15.999 > 22 23 O 0.85503377365809 0.16037909832111 0.35861613942857 15.999 > 23 24 O 0.88966747639716 0.72952427934681 0.35754446408948 15.999 > 24 25 O 0.35122846328501 0.71963377878828 0.42818310621974 15.999 > 25 26 O 0.74420620032220 0.89528548903750 0.49841807208965 15.999 > 26 27 O 0.25579379967781 0.10471451096250 0.50158192791035 15.999 > 27 28 O 0.64877153671499 0.28036622121172 0.57181689378026 15.999 > 28 29 O 0.11033252360284 0.27047572065319 0.64245553591052 15.999 > 29 30 O 0.14496622634191 0.83962090167889 0.64138386057143 15.999 > 30 31 O 0.60547307570610 0.89145124038657 0.66019040474450 15.999 > 31 32 O 0.39452692429390 0.39145124038657 0.83980959525550 15.999 > 32 33 O 0.85503377365809 0.33962090167888 0.85861613942857 15.999 > 33 34 O 0.88966747639716 0.77047572065319 0.85754446408948 15.999 > 34 35 O 0.35122846328501 0.78036622121172 0.92818310621974 15.999 > 35 36 O 0.25579379967781 0.39528548903750 0.00158192791035 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.835209501489413 0.000000000000000 0.000000000000000 b 0.000000000000000 11.025291440000000 0.000000000000000 c -0.435138426012521 0.000000000000000 12.263979209245765 Atomic positions (fractional): *1 Ba 0.19202448292602 0.48343647465504 0.13372220218740 137.327 > 1 2 Ba 0.69202448292602 0.48343647465504 0.13372220218740 137.327 > 1 3 Ba 0.19202448292602 0.98343647465504 0.13372220218740 137.327 > 1 4 Ba 0.69202448292602 0.98343647465504 0.13372220218740 137.327 > 1 *5 Ba 0.43937735155610 0.46079767987091 0.15425211876276 137.327 > 2 6 Ba 0.93937735155610 0.46079767987091 0.15425211876276 137.327 > 2 7 Ba 0.43937735155610 0.96079767987091 0.15425211876276 137.327 > 2 8 Ba 0.93937735155610 0.96079767987091 0.15425211876276 137.327 > 2 9 Ba 0.06062264844390 0.21079767987091 0.34574788123724 137.327 > 3 10 Ba 0.56062264844390 0.21079767987091 0.34574788123724 137.327 > 3 11 Ba 0.06062264844390 0.71079767987091 0.34574788123724 137.327 > 3 12 Ba 0.56062264844390 0.71079767987091 0.34574788123724 137.327 > 3 13 Ba 0.30797551707398 0.23343647465504 0.36627779781260 137.327 > 4 14 Ba 0.80797551707398 0.23343647465504 0.36627779781260 137.327 > 4 15 Ba 0.30797551707398 0.73343647465504 0.36627779781260 137.327 > 4 16 Ba 0.80797551707398 0.73343647465504 0.36627779781260 137.327 > 4 17 Ba 0.19202448292602 0.26656352534496 0.63372220218740 137.327 > 5 18 Ba 0.69202448292602 0.26656352534496 0.63372220218740 137.327 > 5 19 Ba 0.19202448292602 0.76656352534496 0.63372220218740 137.327 > 5 20 Ba 0.69202448292602 0.76656352534496 0.63372220218740 137.327 > 5 21 Ba 0.43937735155610 0.28920232012909 0.65425211876276 137.327 > 6 22 Ba 0.93937735155610 0.28920232012909 0.65425211876276 137.327 > 6 23 Ba 0.43937735155610 0.78920232012909 0.65425211876276 137.327 > 6 24 Ba 0.93937735155610 0.78920232012909 0.65425211876276 137.327 > 6 25 Ba 0.06062264844390 0.03920232012909 0.84574788123724 137.327 > 7 26 Ba 0.56062264844390 0.03920232012909 0.84574788123724 137.327 > 7 27 Ba 0.06062264844390 0.53920232012909 0.84574788123724 137.327 > 7 28 Ba 0.56062264844390 0.53920232012909 0.84574788123724 137.327 > 7 29 Ba 0.30797551707398 0.01656352534496 0.86627779781260 137.327 > 8 30 Ba 0.80797551707398 0.01656352534496 0.86627779781260 137.327 > 8 31 Ba 0.30797551707398 0.51656352534496 0.86627779781260 137.327 > 8 32 Ba 0.80797551707398 0.51656352534496 0.86627779781260 137.327 > 8 *33 B 0.33034359140585 0.23278709239223 0.07853924575303 10.811 > 9 34 B 0.83034359140585 0.23278709239223 0.07853924575303 10.811 > 9 35 B 0.33034359140585 0.73278709239223 0.07853924575303 10.811 > 9 36 B 0.83034359140585 0.73278709239223 0.07853924575303 10.811 > 9 *37 B 0.08240584483008 0.21923518305861 0.09592027584229 10.811 > 10 38 B 0.58240584483008 0.21923518305861 0.09592027584229 10.811 > 10 39 B 0.08240584483008 0.71923518305861 0.09592027584229 10.811 > 10 40 B 0.58240584483008 0.71923518305861 0.09592027584229 10.811 > 10 41 B 0.41759415516992 0.46923518305861 0.40407972415771 10.811 > 11 42 B 0.91759415516992 0.46923518305861 0.40407972415771 10.811 > 11 43 B 0.41759415516992 0.96923518305861 0.40407972415771 10.811 > 11 44 B 0.91759415516992 0.96923518305861 0.40407972415771 10.811 > 11 45 B 0.16965640859415 0.48278709239223 0.42146075424697 10.811 > 12 46 B 0.66965640859415 0.48278709239223 0.42146075424697 10.811 > 12 47 B 0.16965640859415 0.98278709239223 0.42146075424697 10.811 > 12 48 B 0.66965640859415 0.98278709239223 0.42146075424697 10.811 > 12 49 B 0.33034359140585 0.01721290760777 0.57853924575303 10.811 > 13 50 B 0.83034359140585 0.01721290760777 0.57853924575303 10.811 > 13 51 B 0.33034359140585 0.51721290760777 0.57853924575303 10.811 > 13 52 B 0.83034359140585 0.51721290760777 0.57853924575303 10.811 > 13 53 B 0.08240584483008 0.03076481694139 0.59592027584229 10.811 > 14 54 B 0.58240584483008 0.03076481694139 0.59592027584229 10.811 > 14 55 B 0.08240584483008 0.53076481694139 0.59592027584229 10.811 > 14 56 B 0.58240584483008 0.53076481694139 0.59592027584229 10.811 > 14 57 B 0.41759415516992 0.28076481694139 0.90407972415771 10.811 > 15 58 B 0.91759415516992 0.28076481694139 0.90407972415771 10.811 > 15 59 B 0.41759415516992 0.78076481694139 0.90407972415771 10.811 > 15 60 B 0.91759415516992 0.78076481694139 0.90407972415771 10.811 > 15 61 B 0.16965640859415 0.26721290760777 0.92146075424697 10.811 > 16 62 B 0.66965640859415 0.26721290760777 0.92146075424697 10.811 > 16 63 B 0.16965640859415 0.76721290760777 0.92146075424697 10.811 > 16 64 B 0.66965640859415 0.76721290760777 0.92146075424697 10.811 > 16 *65 O 0.37210310016110 0.30235725548125 0.99841807208965 15.999 > 17 66 O 0.87210310016110 0.30235725548125 0.99841807208965 15.999 > 17 67 O 0.37210310016110 0.80235725548125 0.99841807208965 15.999 > 17 68 O 0.87210310016110 0.80235725548125 0.99841807208965 15.999 > 17 *69 O 0.32438576835749 0.10981688939414 0.07181689378026 15.999 > 18 70 O 0.82438576835749 0.10981688939414 0.07181689378026 15.999 > 18 71 O 0.32438576835749 0.60981688939414 0.07181689378026 15.999 > 18 72 O 0.82438576835749 0.60981688939414 0.07181689378026 15.999 > 18 *73 O 0.05516626180142 0.11476213967341 0.14245553591052 15.999 > 19 74 O 0.55516626180142 0.11476213967341 0.14245553591052 15.999 > 19 75 O 0.05516626180142 0.61476213967341 0.14245553591052 15.999 > 19 76 O 0.55516626180142 0.61476213967341 0.14245553591052 15.999 > 19 *77 O 0.07248311317095 0.33018954916056 0.14138386057143 15.999 > 20 78 O 0.57248311317095 0.33018954916056 0.14138386057143 15.999 > 20 79 O 0.07248311317095 0.83018954916056 0.14138386057143 15.999 > 20 80 O 0.57248311317095 0.83018954916056 0.14138386057143 15.999 > 20 *81 O 0.30273653785305 0.30427437980671 0.16019040474450 15.999 > 21 82 O 0.80273653785305 0.30427437980671 0.16019040474450 15.999 > 21 83 O 0.30273653785305 0.80427437980671 0.16019040474450 15.999 > 21 84 O 0.80273653785305 0.80427437980671 0.16019040474450 15.999 > 21 85 O 0.19726346214695 0.05427437980671 0.33980959525550 15.999 > 22 86 O 0.69726346214695 0.05427437980671 0.33980959525550 15.999 > 22 87 O 0.19726346214695 0.55427437980671 0.33980959525550 15.999 > 22 88 O 0.69726346214695 0.55427437980671 0.33980959525550 15.999 > 22 89 O 0.42751688682905 0.08018954916056 0.35861613942857 15.999 > 23 90 O 0.92751688682905 0.08018954916056 0.35861613942857 15.999 > 23 91 O 0.42751688682905 0.58018954916056 0.35861613942857 15.999 > 23 92 O 0.92751688682905 0.58018954916056 0.35861613942857 15.999 > 23 93 O 0.44483373819858 0.36476213967341 0.35754446408948 15.999 > 24 94 O 0.94483373819858 0.36476213967341 0.35754446408948 15.999 > 24 95 O 0.44483373819858 0.86476213967341 0.35754446408948 15.999 > 24 96 O 0.94483373819858 0.86476213967341 0.35754446408948 15.999 > 24 97 O 0.17561423164251 0.35981688939414 0.42818310621974 15.999 > 25 98 O 0.67561423164251 0.35981688939414 0.42818310621974 15.999 > 25 99 O 0.17561423164251 0.85981688939414 0.42818310621974 15.999 > 25 100 O 0.67561423164251 0.85981688939414 0.42818310621974 15.999 > 25 101 O 0.37210310016110 0.44764274451875 0.49841807208965 15.999 > 26 102 O 0.87210310016110 0.44764274451875 0.49841807208965 15.999 > 26 103 O 0.37210310016110 0.94764274451875 0.49841807208965 15.999 > 26 104 O 0.87210310016110 0.94764274451875 0.49841807208965 15.999 > 26 105 O 0.12789689983890 0.05235725548125 0.50158192791035 15.999 > 27 106 O 0.62789689983890 0.05235725548125 0.50158192791035 15.999 > 27 107 O 0.12789689983890 0.55235725548125 0.50158192791035 15.999 > 27 108 O 0.62789689983890 0.55235725548125 0.50158192791035 15.999 > 27 109 O 0.32438576835749 0.14018311060586 0.57181689378026 15.999 > 28 110 O 0.82438576835749 0.14018311060586 0.57181689378026 15.999 > 28 111 O 0.32438576835749 0.64018311060586 0.57181689378026 15.999 > 28 112 O 0.82438576835749 0.64018311060586 0.57181689378026 15.999 > 28 113 O 0.05516626180142 0.13523786032659 0.64245553591052 15.999 > 29 114 O 0.55516626180142 0.13523786032659 0.64245553591052 15.999 > 29 115 O 0.05516626180142 0.63523786032659 0.64245553591052 15.999 > 29 116 O 0.55516626180142 0.63523786032659 0.64245553591052 15.999 > 29 117 O 0.07248311317095 0.41981045083944 0.64138386057143 15.999 > 30 118 O 0.57248311317095 0.41981045083944 0.64138386057143 15.999 > 30 119 O 0.07248311317095 0.91981045083944 0.64138386057143 15.999 > 30 120 O 0.57248311317095 0.91981045083944 0.64138386057143 15.999 > 30 121 O 0.30273653785305 0.44572562019329 0.66019040474450 15.999 > 31 122 O 0.80273653785305 0.44572562019329 0.66019040474450 15.999 > 31 123 O 0.30273653785305 0.94572562019329 0.66019040474450 15.999 > 31 124 O 0.80273653785305 0.94572562019329 0.66019040474450 15.999 > 31 125 O 0.19726346214695 0.19572562019329 0.83980959525550 15.999 > 32 126 O 0.69726346214695 0.19572562019329 0.83980959525550 15.999 > 32 127 O 0.19726346214695 0.69572562019329 0.83980959525550 15.999 > 32 128 O 0.69726346214695 0.69572562019329 0.83980959525550 15.999 > 32 129 O 0.42751688682905 0.16981045083944 0.85861613942857 15.999 > 33 130 O 0.92751688682905 0.16981045083944 0.85861613942857 15.999 > 33 131 O 0.42751688682905 0.66981045083944 0.85861613942857 15.999 > 33 132 O 0.92751688682905 0.66981045083944 0.85861613942857 15.999 > 33 133 O 0.44483373819858 0.38523786032659 0.85754446408948 15.999 > 34 134 O 0.94483373819858 0.38523786032659 0.85754446408948 15.999 > 34 135 O 0.44483373819858 0.88523786032659 0.85754446408948 15.999 > 34 136 O 0.94483373819858 0.88523786032659 0.85754446408948 15.999 > 34 137 O 0.17561423164251 0.39018311060586 0.92818310621974 15.999 > 35 138 O 0.67561423164251 0.39018311060586 0.92818310621974 15.999 > 35 139 O 0.17561423164251 0.89018311060586 0.92818310621974 15.999 > 35 140 O 0.67561423164251 0.89018311060586 0.92818310621974 15.999 > 35 141 O 0.12789689983890 0.19764274451875 0.00158192791035 15.999 > 36 142 O 0.62789689983890 0.19764274451875 0.00158192791035 15.999 > 36 143 O 0.12789689983890 0.69764274451875 0.00158192791035 15.999 > 36 144 O 0.62789689983890 0.69764274451875 0.00158192791035 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9175762 0.0000000 -0.1476122 0.0000000 3.1703571 0.0000000 -0.1476133 0.0000000 3.0516713 -------------------------- Born effective charges -------------------------- 1 Ba 2.7348356 -0.0436380 -0.0280976 -0.0048815 2.6154874 0.0914791 -0.0295627 0.1846536 2.6170558 2 Ba 2.7580623 0.1057106 0.1614959 0.0805989 2.6267734 0.0023224 0.1720925 0.0140543 2.5166575 3 Ba 2.7580623 -0.1057106 0.1614959 -0.0805989 2.6267734 -0.0023224 0.1720925 -0.0140543 2.5166575 4 Ba 2.7348356 0.0436380 -0.0280976 0.0048815 2.6154874 -0.0914791 -0.0295627 -0.1846536 2.6170558 5 Ba 2.7348356 0.0436380 -0.0280976 0.0048815 2.6154874 -0.0914791 -0.0295627 -0.1846536 2.6170558 6 Ba 2.7580623 -0.1057106 0.1614959 -0.0805989 2.6267734 -0.0023224 0.1720925 -0.0140543 2.5166575 7 Ba 2.7580623 0.1057106 0.1614959 0.0805989 2.6267734 0.0023224 0.1720925 0.0140543 2.5166575 8 Ba 2.7348356 -0.0436380 -0.0280976 -0.0048815 2.6154874 0.0914791 -0.0295627 0.1846536 2.6170558 9 B 1.0807078 0.2447032 -0.9845334 0.1934770 3.0073880 0.3050297 -1.0410698 0.2490393 2.1300469 10 B 1.0747763 0.0945777 -1.0593645 0.2027299 2.8208478 0.0650295 -1.1397294 0.1873414 2.1248314 11 B 1.0747763 -0.0945777 -1.0593645 -0.2027299 2.8208478 -0.0650295 -1.1397294 -0.1873414 2.1248314 12 B 1.0807078 -0.2447032 -0.9845334 -0.1934770 3.0073880 -0.3050297 -1.0410698 -0.2490393 2.1300469 13 B 1.0807078 -0.2447032 -0.9845334 -0.1934770 3.0073880 -0.3050297 -1.0410698 -0.2490393 2.1300469 14 B 1.0747763 -0.0945777 -1.0593645 -0.2027299 2.8208478 -0.0650295 -1.1397294 -0.1873414 2.1248314 15 B 1.0747763 0.0945777 -1.0593645 0.2027299 2.8208478 0.0650295 -1.1397294 0.1873414 2.1248314 16 B 1.0807078 0.2447032 -0.9845334 0.1934770 3.0073880 0.3050297 -1.0410698 0.2490393 2.1300469 17 O -1.3819398 -0.2631065 0.9936488 -0.3102914 -1.5374147 0.2164250 1.0534517 0.1507380 -2.4227244 18 O -1.4330271 -0.1004088 0.0369119 -0.1001883 -2.6987689 -0.0472471 0.0097514 -0.1059370 -1.5573482 19 O -1.6857332 -0.4303765 0.2957684 -0.4529322 -2.4016851 0.1909247 0.3309331 0.2365607 -1.6878148 20 O -1.5768318 0.0752779 0.2528363 0.0803655 -2.4912744 -0.2340411 0.2762776 -0.2948564 -1.4956546 21 O -1.5708501 0.2673461 0.3313341 0.2566086 -1.9413534 -0.3351690 0.3678557 -0.3524249 -2.2250496 22 O -1.5708501 -0.2673461 0.3313341 -0.2566086 -1.9413534 0.3351690 0.3678557 0.3524249 -2.2250496 23 O -1.5768318 -0.0752779 0.2528363 -0.0803655 -2.4912744 0.2340411 0.2762776 0.2948564 -1.4956546 24 O -1.6857332 0.4303765 0.2957684 0.4529322 -2.4016851 -0.1909247 0.3309331 -0.2365607 -1.6878148 25 O -1.4330271 0.1004088 0.0369119 0.1001883 -2.6987689 0.0472471 0.0097514 0.1059370 -1.5573482 26 O -1.3819398 0.2631065 0.9936488 0.3102914 -1.5374147 -0.2164250 1.0534517 -0.1507380 -2.4227244 27 O -1.3819398 0.2631065 0.9936488 0.3102914 -1.5374147 -0.2164250 1.0534517 -0.1507380 -2.4227244 28 O -1.4330271 0.1004088 0.0369119 0.1001883 -2.6987689 0.0472471 0.0097514 0.1059370 -1.5573482 29 O -1.6857332 0.4303765 0.2957684 0.4529322 -2.4016851 -0.1909247 0.3309331 -0.2365607 -1.6878148 30 O -1.5768318 -0.0752779 0.2528363 -0.0803655 -2.4912744 0.2340411 0.2762776 0.2948564 -1.4956546 31 O -1.5708501 -0.2673461 0.3313341 -0.2566086 -1.9413534 0.3351690 0.3678557 0.3524249 -2.2250496 32 O -1.5708501 0.2673461 0.3313341 0.2566086 -1.9413534 -0.3351690 0.3678557 -0.3524249 -2.2250496 33 O -1.5768318 0.0752779 0.2528363 0.0803655 -2.4912744 -0.2340411 0.2762776 -0.2948564 -1.4956546 34 O -1.6857332 -0.4303765 0.2957684 -0.4529322 -2.4016851 0.1909247 0.3309331 0.2365607 -1.6878148 35 O -1.4330271 -0.1004088 0.0369119 -0.1001883 -2.6987689 -0.0472471 0.0097514 -0.1059370 -1.5573482 36 O -1.3819398 -0.2631065 0.9936488 -0.3102914 -1.5374147 0.2164250 1.0534517 0.1507380 -2.4227244 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.013 Solver_block: 200 / 1120 - Time: 1.801 Solver_block: 300 / 1120 - Time: 1.798 Solver_block: 400 / 1120 - Time: 1.796 Solver_block: 500 / 1120 - Time: 1.801 Solver_block: 600 / 1120 - Time: 1.799 Solver_block: 700 / 1120 - Time: 1.799 Solver_block: 800 / 1120 - Time: 1.801 Solver_block: 900 / 1120 - Time: 1.801 Solver_block: 1000 / 1120 - Time: 1.802 Solver_block: 1100 / 1120 - Time: 1.797 Solver_block: 1120 / 1120 - Time: 0.560 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.088 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 2026-01-09 02:22:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:22:43]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.417604750744706 0.000000000000000 0.000000000000000 b 0.000000000000000 5.512645720000000 0.000000000000000 c -0.435138426012521 0.000000000000000 12.263979209245765 Atomic positions (fractional): 1 Ba 0.38404896585205 0.96687294931008 0.13372220218740 137.327 2 Ba 0.87875470311220 0.92159535974183 0.15425211876276 137.327 3 Ba 0.12124529688780 0.42159535974183 0.34574788123724 137.327 4 Ba 0.61595103414796 0.46687294931008 0.36627779781260 137.327 5 Ba 0.38404896585205 0.53312705068992 0.63372220218740 137.327 6 Ba 0.87875470311220 0.57840464025817 0.65425211876276 137.327 7 Ba 0.12124529688780 0.07840464025817 0.84574788123724 137.327 8 Ba 0.61595103414796 0.03312705068992 0.86627779781260 137.327 9 B 0.66068718281171 0.46557418478446 0.07853924575303 10.811 10 B 0.16481168966015 0.43847036611722 0.09592027584229 10.811 11 B 0.83518831033985 0.93847036611722 0.40407972415771 10.811 12 B 0.33931281718829 0.96557418478446 0.42146075424697 10.811 13 B 0.66068718281171 0.03442581521554 0.57853924575303 10.811 14 B 0.16481168966015 0.06152963388278 0.59592027584229 10.811 15 B 0.83518831033985 0.56152963388278 0.90407972415771 10.811 16 B 0.33931281718829 0.53442581521554 0.92146075424697 10.811 17 O 0.74420620032220 0.60471451096250 0.99841807208965 15.999 18 O 0.64877153671499 0.21963377878828 0.07181689378026 15.999 19 O 0.11033252360284 0.22952427934681 0.14245553591052 15.999 20 O 0.14496622634191 0.66037909832111 0.14138386057143 15.999 21 O 0.60547307570610 0.60854875961343 0.16019040474450 15.999 22 O 0.39452692429390 0.10854875961343 0.33980959525550 15.999 23 O 0.85503377365809 0.16037909832111 0.35861613942857 15.999 24 O 0.88966747639716 0.72952427934681 0.35754446408948 15.999 25 O 0.35122846328501 0.71963377878828 0.42818310621974 15.999 26 O 0.74420620032220 0.89528548903750 0.49841807208965 15.999 27 O 0.25579379967781 0.10471451096250 0.50158192791035 15.999 28 O 0.64877153671499 0.28036622121172 0.57181689378026 15.999 29 O 0.11033252360284 0.27047572065319 0.64245553591052 15.999 30 O 0.14496622634191 0.83962090167889 0.64138386057143 15.999 31 O 0.60547307570610 0.89145124038657 0.66019040474450 15.999 32 O 0.39452692429390 0.39145124038657 0.83980959525550 15.999 33 O 0.85503377365809 0.33962090167888 0.85861613942857 15.999 34 O 0.88966747639716 0.77047572065319 0.85754446408948 15.999 35 O 0.35122846328501 0.78036622121172 0.92818310621974 15.999 36 O 0.25579379967781 0.39528548903750 0.00158192791035 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.835209501489413 0.000000000000000 0.000000000000000 b 0.000000000000000 11.025291440000000 0.000000000000000 c -0.435138426012521 0.000000000000000 12.263979209245765 Atomic positions (fractional): 1 Ba 0.19202448292602 0.48343647465504 0.13372220218740 137.327 > 1 2 Ba 0.69202448292602 0.48343647465504 0.13372220218740 137.327 > 1 3 Ba 0.19202448292602 0.98343647465504 0.13372220218740 137.327 > 1 4 Ba 0.69202448292602 0.98343647465504 0.13372220218740 137.327 > 1 5 Ba 0.43937735155610 0.46079767987091 0.15425211876276 137.327 > 5 6 Ba 0.93937735155610 0.46079767987091 0.15425211876276 137.327 > 5 7 Ba 0.43937735155610 0.96079767987091 0.15425211876276 137.327 > 5 8 Ba 0.93937735155610 0.96079767987091 0.15425211876276 137.327 > 5 9 Ba 0.06062264844390 0.21079767987091 0.34574788123724 137.327 > 9 10 Ba 0.56062264844390 0.21079767987091 0.34574788123724 137.327 > 9 11 Ba 0.06062264844390 0.71079767987091 0.34574788123724 137.327 > 9 12 Ba 0.56062264844390 0.71079767987091 0.34574788123724 137.327 > 9 13 Ba 0.30797551707398 0.23343647465504 0.36627779781260 137.327 > 13 14 Ba 0.80797551707398 0.23343647465504 0.36627779781260 137.327 > 13 15 Ba 0.30797551707398 0.73343647465504 0.36627779781260 137.327 > 13 16 Ba 0.80797551707398 0.73343647465504 0.36627779781260 137.327 > 13 17 Ba 0.19202448292602 0.26656352534496 0.63372220218740 137.327 > 17 18 Ba 0.69202448292602 0.26656352534496 0.63372220218740 137.327 > 17 19 Ba 0.19202448292602 0.76656352534496 0.63372220218740 137.327 > 17 20 Ba 0.69202448292602 0.76656352534496 0.63372220218740 137.327 > 17 21 Ba 0.43937735155610 0.28920232012909 0.65425211876276 137.327 > 21 22 Ba 0.93937735155610 0.28920232012909 0.65425211876276 137.327 > 21 23 Ba 0.43937735155610 0.78920232012909 0.65425211876276 137.327 > 21 24 Ba 0.93937735155610 0.78920232012909 0.65425211876276 137.327 > 21 25 Ba 0.06062264844390 0.03920232012909 0.84574788123724 137.327 > 25 26 Ba 0.56062264844390 0.03920232012909 0.84574788123724 137.327 > 25 27 Ba 0.06062264844390 0.53920232012909 0.84574788123724 137.327 > 25 28 Ba 0.56062264844390 0.53920232012909 0.84574788123724 137.327 > 25 29 Ba 0.30797551707398 0.01656352534496 0.86627779781260 137.327 > 29 30 Ba 0.80797551707398 0.01656352534496 0.86627779781260 137.327 > 29 31 Ba 0.30797551707398 0.51656352534496 0.86627779781260 137.327 > 29 32 Ba 0.80797551707398 0.51656352534496 0.86627779781260 137.327 > 29 33 B 0.33034359140585 0.23278709239223 0.07853924575303 10.811 > 33 34 B 0.83034359140585 0.23278709239223 0.07853924575303 10.811 > 33 35 B 0.33034359140585 0.73278709239223 0.07853924575303 10.811 > 33 36 B 0.83034359140585 0.73278709239223 0.07853924575303 10.811 > 33 37 B 0.08240584483008 0.21923518305861 0.09592027584229 10.811 > 37 38 B 0.58240584483008 0.21923518305861 0.09592027584229 10.811 > 37 39 B 0.08240584483008 0.71923518305861 0.09592027584229 10.811 > 37 40 B 0.58240584483008 0.71923518305861 0.09592027584229 10.811 > 37 41 B 0.41759415516992 0.46923518305861 0.40407972415771 10.811 > 41 42 B 0.91759415516992 0.46923518305861 0.40407972415771 10.811 > 41 43 B 0.41759415516992 0.96923518305861 0.40407972415771 10.811 > 41 44 B 0.91759415516992 0.96923518305861 0.40407972415771 10.811 > 41 45 B 0.16965640859415 0.48278709239223 0.42146075424697 10.811 > 45 46 B 0.66965640859415 0.48278709239223 0.42146075424697 10.811 > 45 47 B 0.16965640859415 0.98278709239223 0.42146075424697 10.811 > 45 48 B 0.66965640859415 0.98278709239223 0.42146075424697 10.811 > 45 49 B 0.33034359140585 0.01721290760777 0.57853924575303 10.811 > 49 50 B 0.83034359140585 0.01721290760777 0.57853924575303 10.811 > 49 51 B 0.33034359140585 0.51721290760777 0.57853924575303 10.811 > 49 52 B 0.83034359140585 0.51721290760777 0.57853924575303 10.811 > 49 53 B 0.08240584483008 0.03076481694139 0.59592027584229 10.811 > 53 54 B 0.58240584483008 0.03076481694139 0.59592027584229 10.811 > 53 55 B 0.08240584483008 0.53076481694139 0.59592027584229 10.811 > 53 56 B 0.58240584483008 0.53076481694139 0.59592027584229 10.811 > 53 57 B 0.41759415516992 0.28076481694139 0.90407972415771 10.811 > 57 58 B 0.91759415516992 0.28076481694139 0.90407972415771 10.811 > 57 59 B 0.41759415516992 0.78076481694139 0.90407972415771 10.811 > 57 60 B 0.91759415516992 0.78076481694139 0.90407972415771 10.811 > 57 61 B 0.16965640859415 0.26721290760777 0.92146075424697 10.811 > 61 62 B 0.66965640859415 0.26721290760777 0.92146075424697 10.811 > 61 63 B 0.16965640859415 0.76721290760777 0.92146075424697 10.811 > 61 64 B 0.66965640859415 0.76721290760777 0.92146075424697 10.811 > 61 65 O 0.37210310016110 0.30235725548125 0.99841807208965 15.999 > 65 66 O 0.87210310016110 0.30235725548125 0.99841807208965 15.999 > 65 67 O 0.37210310016110 0.80235725548125 0.99841807208965 15.999 > 65 68 O 0.87210310016110 0.80235725548125 0.99841807208965 15.999 > 65 69 O 0.32438576835749 0.10981688939414 0.07181689378026 15.999 > 69 70 O 0.82438576835749 0.10981688939414 0.07181689378026 15.999 > 69 71 O 0.32438576835749 0.60981688939414 0.07181689378026 15.999 > 69 72 O 0.82438576835749 0.60981688939414 0.07181689378026 15.999 > 69 73 O 0.05516626180142 0.11476213967341 0.14245553591052 15.999 > 73 74 O 0.55516626180142 0.11476213967341 0.14245553591052 15.999 > 73 75 O 0.05516626180142 0.61476213967341 0.14245553591052 15.999 > 73 76 O 0.55516626180142 0.61476213967341 0.14245553591052 15.999 > 73 77 O 0.07248311317095 0.33018954916056 0.14138386057143 15.999 > 77 78 O 0.57248311317095 0.33018954916056 0.14138386057143 15.999 > 77 79 O 0.07248311317095 0.83018954916056 0.14138386057143 15.999 > 77 80 O 0.57248311317095 0.83018954916056 0.14138386057143 15.999 > 77 81 O 0.30273653785305 0.30427437980671 0.16019040474450 15.999 > 81 82 O 0.80273653785305 0.30427437980671 0.16019040474450 15.999 > 81 83 O 0.30273653785305 0.80427437980671 0.16019040474450 15.999 > 81 84 O 0.80273653785305 0.80427437980671 0.16019040474450 15.999 > 81 85 O 0.19726346214695 0.05427437980671 0.33980959525550 15.999 > 85 86 O 0.69726346214695 0.05427437980671 0.33980959525550 15.999 > 85 87 O 0.19726346214695 0.55427437980671 0.33980959525550 15.999 > 85 88 O 0.69726346214695 0.55427437980671 0.33980959525550 15.999 > 85 89 O 0.42751688682905 0.08018954916056 0.35861613942857 15.999 > 89 90 O 0.92751688682905 0.08018954916056 0.35861613942857 15.999 > 89 91 O 0.42751688682905 0.58018954916056 0.35861613942857 15.999 > 89 92 O 0.92751688682905 0.58018954916056 0.35861613942857 15.999 > 89 93 O 0.44483373819858 0.36476213967341 0.35754446408948 15.999 > 93 94 O 0.94483373819858 0.36476213967341 0.35754446408948 15.999 > 93 95 O 0.44483373819858 0.86476213967341 0.35754446408948 15.999 > 93 96 O 0.94483373819858 0.86476213967341 0.35754446408948 15.999 > 93 97 O 0.17561423164251 0.35981688939414 0.42818310621974 15.999 > 97 98 O 0.67561423164251 0.35981688939414 0.42818310621974 15.999 > 97 99 O 0.17561423164251 0.85981688939414 0.42818310621974 15.999 > 97 100 O 0.67561423164251 0.85981688939414 0.42818310621974 15.999 > 97 101 O 0.37210310016110 0.44764274451875 0.49841807208965 15.999 > 101 102 O 0.87210310016110 0.44764274451875 0.49841807208965 15.999 > 101 103 O 0.37210310016110 0.94764274451875 0.49841807208965 15.999 > 101 104 O 0.87210310016110 0.94764274451875 0.49841807208965 15.999 > 101 105 O 0.12789689983890 0.05235725548125 0.50158192791035 15.999 > 105 106 O 0.62789689983890 0.05235725548125 0.50158192791035 15.999 > 105 107 O 0.12789689983890 0.55235725548125 0.50158192791035 15.999 > 105 108 O 0.62789689983890 0.55235725548125 0.50158192791035 15.999 > 105 109 O 0.32438576835749 0.14018311060586 0.57181689378026 15.999 > 109 110 O 0.82438576835749 0.14018311060586 0.57181689378026 15.999 > 109 111 O 0.32438576835749 0.64018311060586 0.57181689378026 15.999 > 109 112 O 0.82438576835749 0.64018311060586 0.57181689378026 15.999 > 109 113 O 0.05516626180142 0.13523786032659 0.64245553591052 15.999 > 113 114 O 0.55516626180142 0.13523786032659 0.64245553591052 15.999 > 113 115 O 0.05516626180142 0.63523786032659 0.64245553591052 15.999 > 113 116 O 0.55516626180142 0.63523786032659 0.64245553591052 15.999 > 113 117 O 0.07248311317095 0.41981045083944 0.64138386057143 15.999 > 117 118 O 0.57248311317095 0.41981045083944 0.64138386057143 15.999 > 117 119 O 0.07248311317095 0.91981045083944 0.64138386057143 15.999 > 117 120 O 0.57248311317095 0.91981045083944 0.64138386057143 15.999 > 117 121 O 0.30273653785305 0.44572562019329 0.66019040474450 15.999 > 121 122 O 0.80273653785305 0.44572562019329 0.66019040474450 15.999 > 121 123 O 0.30273653785305 0.94572562019329 0.66019040474450 15.999 > 121 124 O 0.80273653785305 0.94572562019329 0.66019040474450 15.999 > 121 125 O 0.19726346214695 0.19572562019329 0.83980959525550 15.999 > 125 126 O 0.69726346214695 0.19572562019329 0.83980959525550 15.999 > 125 127 O 0.19726346214695 0.69572562019329 0.83980959525550 15.999 > 125 128 O 0.69726346214695 0.69572562019329 0.83980959525550 15.999 > 125 129 O 0.42751688682905 0.16981045083944 0.85861613942857 15.999 > 129 130 O 0.92751688682905 0.16981045083944 0.85861613942857 15.999 > 129 131 O 0.42751688682905 0.66981045083944 0.85861613942857 15.999 > 129 132 O 0.92751688682905 0.66981045083944 0.85861613942857 15.999 > 129 133 O 0.44483373819858 0.38523786032659 0.85754446408948 15.999 > 133 134 O 0.94483373819858 0.38523786032659 0.85754446408948 15.999 > 133 135 O 0.44483373819858 0.88523786032659 0.85754446408948 15.999 > 133 136 O 0.94483373819858 0.88523786032659 0.85754446408948 15.999 > 133 137 O 0.17561423164251 0.39018311060586 0.92818310621974 15.999 > 137 138 O 0.67561423164251 0.39018311060586 0.92818310621974 15.999 > 137 139 O 0.17561423164251 0.89018311060586 0.92818310621974 15.999 > 137 140 O 0.67561423164251 0.89018311060586 0.92818310621974 15.999 > 137 141 O 0.12789689983890 0.19764274451875 0.00158192791035 15.999 > 141 142 O 0.62789689983890 0.19764274451875 0.00158192791035 15.999 > 141 143 O 0.12789689983890 0.69764274451875 0.00158192791035 15.999 > 141 144 O 0.62789689983890 0.69764274451875 0.00158192791035 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9175762 0.0000000 -0.1476122 0.0000000 3.1703571 0.0000000 -0.1476133 0.0000000 3.0516713 -------------------------- Born effective charges -------------------------- 1 Ba 2.7348356 -0.0436380 -0.0280976 -0.0048815 2.6154874 0.0914791 -0.0295627 0.1846536 2.6170558 2 Ba 2.7580623 0.1057106 0.1614959 0.0805989 2.6267734 0.0023224 0.1720925 0.0140543 2.5166575 3 Ba 2.7580623 -0.1057106 0.1614959 -0.0805989 2.6267734 -0.0023224 0.1720925 -0.0140543 2.5166575 4 Ba 2.7348356 0.0436380 -0.0280976 0.0048815 2.6154874 -0.0914791 -0.0295627 -0.1846536 2.6170558 5 Ba 2.7348356 0.0436380 -0.0280976 0.0048815 2.6154874 -0.0914791 -0.0295627 -0.1846536 2.6170558 6 Ba 2.7580623 -0.1057106 0.1614959 -0.0805989 2.6267734 -0.0023224 0.1720925 -0.0140543 2.5166575 7 Ba 2.7580623 0.1057106 0.1614959 0.0805989 2.6267734 0.0023224 0.1720925 0.0140543 2.5166575 8 Ba 2.7348356 -0.0436380 -0.0280976 -0.0048815 2.6154874 0.0914791 -0.0295627 0.1846536 2.6170558 9 B 1.0807078 0.2447032 -0.9845334 0.1934770 3.0073880 0.3050297 -1.0410698 0.2490393 2.1300469 10 B 1.0747763 0.0945777 -1.0593645 0.2027299 2.8208478 0.0650295 -1.1397294 0.1873414 2.1248314 11 B 1.0747763 -0.0945777 -1.0593645 -0.2027299 2.8208478 -0.0650295 -1.1397294 -0.1873414 2.1248314 12 B 1.0807078 -0.2447032 -0.9845334 -0.1934770 3.0073880 -0.3050297 -1.0410698 -0.2490393 2.1300469 13 B 1.0807078 -0.2447032 -0.9845334 -0.1934770 3.0073880 -0.3050297 -1.0410698 -0.2490393 2.1300469 14 B 1.0747763 -0.0945777 -1.0593645 -0.2027299 2.8208478 -0.0650295 -1.1397294 -0.1873414 2.1248314 15 B 1.0747763 0.0945777 -1.0593645 0.2027299 2.8208478 0.0650295 -1.1397294 0.1873414 2.1248314 16 B 1.0807078 0.2447032 -0.9845334 0.1934770 3.0073880 0.3050297 -1.0410698 0.2490393 2.1300469 17 O -1.3819398 -0.2631065 0.9936488 -0.3102914 -1.5374147 0.2164250 1.0534517 0.1507380 -2.4227244 18 O -1.4330271 -0.1004088 0.0369119 -0.1001883 -2.6987689 -0.0472471 0.0097514 -0.1059370 -1.5573482 19 O -1.6857332 -0.4303765 0.2957684 -0.4529322 -2.4016851 0.1909247 0.3309331 0.2365607 -1.6878148 20 O -1.5768318 0.0752779 0.2528363 0.0803655 -2.4912744 -0.2340411 0.2762776 -0.2948564 -1.4956546 21 O -1.5708501 0.2673461 0.3313341 0.2566086 -1.9413534 -0.3351690 0.3678557 -0.3524249 -2.2250496 22 O -1.5708501 -0.2673461 0.3313341 -0.2566086 -1.9413534 0.3351690 0.3678557 0.3524249 -2.2250496 23 O -1.5768318 -0.0752779 0.2528363 -0.0803655 -2.4912744 0.2340411 0.2762776 0.2948564 -1.4956546 24 O -1.6857332 0.4303765 0.2957684 0.4529322 -2.4016851 -0.1909247 0.3309331 -0.2365607 -1.6878148 25 O -1.4330271 0.1004088 0.0369119 0.1001883 -2.6987689 0.0472471 0.0097514 0.1059370 -1.5573482 26 O -1.3819398 0.2631065 0.9936488 0.3102914 -1.5374147 -0.2164250 1.0534517 -0.1507380 -2.4227244 27 O -1.3819398 0.2631065 0.9936488 0.3102914 -1.5374147 -0.2164250 1.0534517 -0.1507380 -2.4227244 28 O -1.4330271 0.1004088 0.0369119 0.1001883 -2.6987689 0.0472471 0.0097514 0.1059370 -1.5573482 29 O -1.6857332 0.4303765 0.2957684 0.4529322 -2.4016851 -0.1909247 0.3309331 -0.2365607 -1.6878148 30 O -1.5768318 -0.0752779 0.2528363 -0.0803655 -2.4912744 0.2340411 0.2762776 0.2948564 -1.4956546 31 O -1.5708501 -0.2673461 0.3313341 -0.2566086 -1.9413534 0.3351690 0.3678557 0.3524249 -2.2250496 32 O -1.5708501 0.2673461 0.3313341 0.2566086 -1.9413534 -0.3351690 0.3678557 -0.3524249 -2.2250496 33 O -1.5768318 0.0752779 0.2528363 0.0803655 -2.4912744 -0.2340411 0.2762776 -0.2948564 -1.4956546 34 O -1.6857332 -0.4303765 0.2957684 -0.4529322 -2.4016851 0.1909247 0.3309331 0.2365607 -1.6878148 35 O -1.4330271 -0.1004088 0.0369119 -0.1001883 -2.6987689 -0.0472471 0.0097514 -0.1059370 -1.5573482 36 O -1.3819398 -0.2631065 0.9936488 -0.3102914 -1.5374147 0.2164250 1.0534517 0.1507380 -2.4227244 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 2026-01-09 02:23:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:23:47]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.417604750744706 0.000000000000000 0.000000000000000 b 0.000000000000000 5.512645720000000 0.000000000000000 c -0.435138426012521 0.000000000000000 12.263979209245765 Atomic positions (fractional): 1 Ba 0.38404896585205 0.96687294931008 0.13372220218740 137.327 2 Ba 0.87875470311220 0.92159535974183 0.15425211876276 137.327 3 Ba 0.12124529688780 0.42159535974183 0.34574788123724 137.327 4 Ba 0.61595103414796 0.46687294931008 0.36627779781260 137.327 5 Ba 0.38404896585205 0.53312705068992 0.63372220218740 137.327 6 Ba 0.87875470311220 0.57840464025817 0.65425211876276 137.327 7 Ba 0.12124529688780 0.07840464025817 0.84574788123724 137.327 8 Ba 0.61595103414796 0.03312705068992 0.86627779781260 137.327 9 B 0.66068718281171 0.46557418478446 0.07853924575303 10.811 10 B 0.16481168966015 0.43847036611722 0.09592027584229 10.811 11 B 0.83518831033985 0.93847036611722 0.40407972415771 10.811 12 B 0.33931281718829 0.96557418478446 0.42146075424697 10.811 13 B 0.66068718281171 0.03442581521554 0.57853924575303 10.811 14 B 0.16481168966015 0.06152963388278 0.59592027584229 10.811 15 B 0.83518831033985 0.56152963388278 0.90407972415771 10.811 16 B 0.33931281718829 0.53442581521554 0.92146075424697 10.811 17 O 0.74420620032220 0.60471451096250 0.99841807208965 15.999 18 O 0.64877153671499 0.21963377878828 0.07181689378026 15.999 19 O 0.11033252360284 0.22952427934681 0.14245553591052 15.999 20 O 0.14496622634191 0.66037909832111 0.14138386057143 15.999 21 O 0.60547307570610 0.60854875961343 0.16019040474450 15.999 22 O 0.39452692429390 0.10854875961343 0.33980959525550 15.999 23 O 0.85503377365809 0.16037909832111 0.35861613942857 15.999 24 O 0.88966747639716 0.72952427934681 0.35754446408948 15.999 25 O 0.35122846328501 0.71963377878828 0.42818310621974 15.999 26 O 0.74420620032220 0.89528548903750 0.49841807208965 15.999 27 O 0.25579379967781 0.10471451096250 0.50158192791035 15.999 28 O 0.64877153671499 0.28036622121172 0.57181689378026 15.999 29 O 0.11033252360284 0.27047572065319 0.64245553591052 15.999 30 O 0.14496622634191 0.83962090167889 0.64138386057143 15.999 31 O 0.60547307570610 0.89145124038657 0.66019040474450 15.999 32 O 0.39452692429390 0.39145124038657 0.83980959525550 15.999 33 O 0.85503377365809 0.33962090167888 0.85861613942857 15.999 34 O 0.88966747639716 0.77047572065319 0.85754446408948 15.999 35 O 0.35122846328501 0.78036622121172 0.92818310621974 15.999 36 O 0.25579379967781 0.39528548903750 0.00158192791035 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.835209501489413 0.000000000000000 0.000000000000000 b 0.000000000000000 11.025291440000000 0.000000000000000 c -0.435138426012521 0.000000000000000 12.263979209245765 Atomic positions (fractional): 1 Ba 0.19202448292602 0.48343647465504 0.13372220218740 137.327 > 1 2 Ba 0.69202448292602 0.48343647465504 0.13372220218740 137.327 > 1 3 Ba 0.19202448292602 0.98343647465504 0.13372220218740 137.327 > 1 4 Ba 0.69202448292602 0.98343647465504 0.13372220218740 137.327 > 1 5 Ba 0.43937735155610 0.46079767987091 0.15425211876276 137.327 > 5 6 Ba 0.93937735155610 0.46079767987091 0.15425211876276 137.327 > 5 7 Ba 0.43937735155610 0.96079767987091 0.15425211876276 137.327 > 5 8 Ba 0.93937735155610 0.96079767987091 0.15425211876276 137.327 > 5 9 Ba 0.06062264844390 0.21079767987091 0.34574788123724 137.327 > 9 10 Ba 0.56062264844390 0.21079767987091 0.34574788123724 137.327 > 9 11 Ba 0.06062264844390 0.71079767987091 0.34574788123724 137.327 > 9 12 Ba 0.56062264844390 0.71079767987091 0.34574788123724 137.327 > 9 13 Ba 0.30797551707398 0.23343647465504 0.36627779781260 137.327 > 13 14 Ba 0.80797551707398 0.23343647465504 0.36627779781260 137.327 > 13 15 Ba 0.30797551707398 0.73343647465504 0.36627779781260 137.327 > 13 16 Ba 0.80797551707398 0.73343647465504 0.36627779781260 137.327 > 13 17 Ba 0.19202448292602 0.26656352534496 0.63372220218740 137.327 > 17 18 Ba 0.69202448292602 0.26656352534496 0.63372220218740 137.327 > 17 19 Ba 0.19202448292602 0.76656352534496 0.63372220218740 137.327 > 17 20 Ba 0.69202448292602 0.76656352534496 0.63372220218740 137.327 > 17 21 Ba 0.43937735155610 0.28920232012909 0.65425211876276 137.327 > 21 22 Ba 0.93937735155610 0.28920232012909 0.65425211876276 137.327 > 21 23 Ba 0.43937735155610 0.78920232012909 0.65425211876276 137.327 > 21 24 Ba 0.93937735155610 0.78920232012909 0.65425211876276 137.327 > 21 25 Ba 0.06062264844390 0.03920232012909 0.84574788123724 137.327 > 25 26 Ba 0.56062264844390 0.03920232012909 0.84574788123724 137.327 > 25 27 Ba 0.06062264844390 0.53920232012909 0.84574788123724 137.327 > 25 28 Ba 0.56062264844390 0.53920232012909 0.84574788123724 137.327 > 25 29 Ba 0.30797551707398 0.01656352534496 0.86627779781260 137.327 > 29 30 Ba 0.80797551707398 0.01656352534496 0.86627779781260 137.327 > 29 31 Ba 0.30797551707398 0.51656352534496 0.86627779781260 137.327 > 29 32 Ba 0.80797551707398 0.51656352534496 0.86627779781260 137.327 > 29 33 B 0.33034359140585 0.23278709239223 0.07853924575303 10.811 > 33 34 B 0.83034359140585 0.23278709239223 0.07853924575303 10.811 > 33 35 B 0.33034359140585 0.73278709239223 0.07853924575303 10.811 > 33 36 B 0.83034359140585 0.73278709239223 0.07853924575303 10.811 > 33 37 B 0.08240584483008 0.21923518305861 0.09592027584229 10.811 > 37 38 B 0.58240584483008 0.21923518305861 0.09592027584229 10.811 > 37 39 B 0.08240584483008 0.71923518305861 0.09592027584229 10.811 > 37 40 B 0.58240584483008 0.71923518305861 0.09592027584229 10.811 > 37 41 B 0.41759415516992 0.46923518305861 0.40407972415771 10.811 > 41 42 B 0.91759415516992 0.46923518305861 0.40407972415771 10.811 > 41 43 B 0.41759415516992 0.96923518305861 0.40407972415771 10.811 > 41 44 B 0.91759415516992 0.96923518305861 0.40407972415771 10.811 > 41 45 B 0.16965640859415 0.48278709239223 0.42146075424697 10.811 > 45 46 B 0.66965640859415 0.48278709239223 0.42146075424697 10.811 > 45 47 B 0.16965640859415 0.98278709239223 0.42146075424697 10.811 > 45 48 B 0.66965640859415 0.98278709239223 0.42146075424697 10.811 > 45 49 B 0.33034359140585 0.01721290760777 0.57853924575303 10.811 > 49 50 B 0.83034359140585 0.01721290760777 0.57853924575303 10.811 > 49 51 B 0.33034359140585 0.51721290760777 0.57853924575303 10.811 > 49 52 B 0.83034359140585 0.51721290760777 0.57853924575303 10.811 > 49 53 B 0.08240584483008 0.03076481694139 0.59592027584229 10.811 > 53 54 B 0.58240584483008 0.03076481694139 0.59592027584229 10.811 > 53 55 B 0.08240584483008 0.53076481694139 0.59592027584229 10.811 > 53 56 B 0.58240584483008 0.53076481694139 0.59592027584229 10.811 > 53 57 B 0.41759415516992 0.28076481694139 0.90407972415771 10.811 > 57 58 B 0.91759415516992 0.28076481694139 0.90407972415771 10.811 > 57 59 B 0.41759415516992 0.78076481694139 0.90407972415771 10.811 > 57 60 B 0.91759415516992 0.78076481694139 0.90407972415771 10.811 > 57 61 B 0.16965640859415 0.26721290760777 0.92146075424697 10.811 > 61 62 B 0.66965640859415 0.26721290760777 0.92146075424697 10.811 > 61 63 B 0.16965640859415 0.76721290760777 0.92146075424697 10.811 > 61 64 B 0.66965640859415 0.76721290760777 0.92146075424697 10.811 > 61 65 O 0.37210310016110 0.30235725548125 0.99841807208965 15.999 > 65 66 O 0.87210310016110 0.30235725548125 0.99841807208965 15.999 > 65 67 O 0.37210310016110 0.80235725548125 0.99841807208965 15.999 > 65 68 O 0.87210310016110 0.80235725548125 0.99841807208965 15.999 > 65 69 O 0.32438576835749 0.10981688939414 0.07181689378026 15.999 > 69 70 O 0.82438576835749 0.10981688939414 0.07181689378026 15.999 > 69 71 O 0.32438576835749 0.60981688939414 0.07181689378026 15.999 > 69 72 O 0.82438576835749 0.60981688939414 0.07181689378026 15.999 > 69 73 O 0.05516626180142 0.11476213967341 0.14245553591052 15.999 > 73 74 O 0.55516626180142 0.11476213967341 0.14245553591052 15.999 > 73 75 O 0.05516626180142 0.61476213967341 0.14245553591052 15.999 > 73 76 O 0.55516626180142 0.61476213967341 0.14245553591052 15.999 > 73 77 O 0.07248311317095 0.33018954916056 0.14138386057143 15.999 > 77 78 O 0.57248311317095 0.33018954916056 0.14138386057143 15.999 > 77 79 O 0.07248311317095 0.83018954916056 0.14138386057143 15.999 > 77 80 O 0.57248311317095 0.83018954916056 0.14138386057143 15.999 > 77 81 O 0.30273653785305 0.30427437980671 0.16019040474450 15.999 > 81 82 O 0.80273653785305 0.30427437980671 0.16019040474450 15.999 > 81 83 O 0.30273653785305 0.80427437980671 0.16019040474450 15.999 > 81 84 O 0.80273653785305 0.80427437980671 0.16019040474450 15.999 > 81 85 O 0.19726346214695 0.05427437980671 0.33980959525550 15.999 > 85 86 O 0.69726346214695 0.05427437980671 0.33980959525550 15.999 > 85 87 O 0.19726346214695 0.55427437980671 0.33980959525550 15.999 > 85 88 O 0.69726346214695 0.55427437980671 0.33980959525550 15.999 > 85 89 O 0.42751688682905 0.08018954916056 0.35861613942857 15.999 > 89 90 O 0.92751688682905 0.08018954916056 0.35861613942857 15.999 > 89 91 O 0.42751688682905 0.58018954916056 0.35861613942857 15.999 > 89 92 O 0.92751688682905 0.58018954916056 0.35861613942857 15.999 > 89 93 O 0.44483373819858 0.36476213967341 0.35754446408948 15.999 > 93 94 O 0.94483373819858 0.36476213967341 0.35754446408948 15.999 > 93 95 O 0.44483373819858 0.86476213967341 0.35754446408948 15.999 > 93 96 O 0.94483373819858 0.86476213967341 0.35754446408948 15.999 > 93 97 O 0.17561423164251 0.35981688939414 0.42818310621974 15.999 > 97 98 O 0.67561423164251 0.35981688939414 0.42818310621974 15.999 > 97 99 O 0.17561423164251 0.85981688939414 0.42818310621974 15.999 > 97 100 O 0.67561423164251 0.85981688939414 0.42818310621974 15.999 > 97 101 O 0.37210310016110 0.44764274451875 0.49841807208965 15.999 > 101 102 O 0.87210310016110 0.44764274451875 0.49841807208965 15.999 > 101 103 O 0.37210310016110 0.94764274451875 0.49841807208965 15.999 > 101 104 O 0.87210310016110 0.94764274451875 0.49841807208965 15.999 > 101 105 O 0.12789689983890 0.05235725548125 0.50158192791035 15.999 > 105 106 O 0.62789689983890 0.05235725548125 0.50158192791035 15.999 > 105 107 O 0.12789689983890 0.55235725548125 0.50158192791035 15.999 > 105 108 O 0.62789689983890 0.55235725548125 0.50158192791035 15.999 > 105 109 O 0.32438576835749 0.14018311060586 0.57181689378026 15.999 > 109 110 O 0.82438576835749 0.14018311060586 0.57181689378026 15.999 > 109 111 O 0.32438576835749 0.64018311060586 0.57181689378026 15.999 > 109 112 O 0.82438576835749 0.64018311060586 0.57181689378026 15.999 > 109 113 O 0.05516626180142 0.13523786032659 0.64245553591052 15.999 > 113 114 O 0.55516626180142 0.13523786032659 0.64245553591052 15.999 > 113 115 O 0.05516626180142 0.63523786032659 0.64245553591052 15.999 > 113 116 O 0.55516626180142 0.63523786032659 0.64245553591052 15.999 > 113 117 O 0.07248311317095 0.41981045083944 0.64138386057143 15.999 > 117 118 O 0.57248311317095 0.41981045083944 0.64138386057143 15.999 > 117 119 O 0.07248311317095 0.91981045083944 0.64138386057143 15.999 > 117 120 O 0.57248311317095 0.91981045083944 0.64138386057143 15.999 > 117 121 O 0.30273653785305 0.44572562019329 0.66019040474450 15.999 > 121 122 O 0.80273653785305 0.44572562019329 0.66019040474450 15.999 > 121 123 O 0.30273653785305 0.94572562019329 0.66019040474450 15.999 > 121 124 O 0.80273653785305 0.94572562019329 0.66019040474450 15.999 > 121 125 O 0.19726346214695 0.19572562019329 0.83980959525550 15.999 > 125 126 O 0.69726346214695 0.19572562019329 0.83980959525550 15.999 > 125 127 O 0.19726346214695 0.69572562019329 0.83980959525550 15.999 > 125 128 O 0.69726346214695 0.69572562019329 0.83980959525550 15.999 > 125 129 O 0.42751688682905 0.16981045083944 0.85861613942857 15.999 > 129 130 O 0.92751688682905 0.16981045083944 0.85861613942857 15.999 > 129 131 O 0.42751688682905 0.66981045083944 0.85861613942857 15.999 > 129 132 O 0.92751688682905 0.66981045083944 0.85861613942857 15.999 > 129 133 O 0.44483373819858 0.38523786032659 0.85754446408948 15.999 > 133 134 O 0.94483373819858 0.38523786032659 0.85754446408948 15.999 > 133 135 O 0.44483373819858 0.88523786032659 0.85754446408948 15.999 > 133 136 O 0.94483373819858 0.88523786032659 0.85754446408948 15.999 > 133 137 O 0.17561423164251 0.39018311060586 0.92818310621974 15.999 > 137 138 O 0.67561423164251 0.39018311060586 0.92818310621974 15.999 > 137 139 O 0.17561423164251 0.89018311060586 0.92818310621974 15.999 > 137 140 O 0.67561423164251 0.89018311060586 0.92818310621974 15.999 > 137 141 O 0.12789689983890 0.19764274451875 0.00158192791035 15.999 > 141 142 O 0.62789689983890 0.19764274451875 0.00158192791035 15.999 > 141 143 O 0.12789689983890 0.69764274451875 0.00158192791035 15.999 > 141 144 O 0.62789689983890 0.69764274451875 0.00158192791035 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9175762 0.0000000 -0.1476122 0.0000000 3.1703571 0.0000000 -0.1476133 0.0000000 3.0516713 -------------------------- Born effective charges -------------------------- 1 Ba 2.7348356 -0.0436380 -0.0280976 -0.0048815 2.6154874 0.0914791 -0.0295627 0.1846536 2.6170558 2 Ba 2.7580623 0.1057106 0.1614959 0.0805989 2.6267734 0.0023224 0.1720925 0.0140543 2.5166575 3 Ba 2.7580623 -0.1057106 0.1614959 -0.0805989 2.6267734 -0.0023224 0.1720925 -0.0140543 2.5166575 4 Ba 2.7348356 0.0436380 -0.0280976 0.0048815 2.6154874 -0.0914791 -0.0295627 -0.1846536 2.6170558 5 Ba 2.7348356 0.0436380 -0.0280976 0.0048815 2.6154874 -0.0914791 -0.0295627 -0.1846536 2.6170558 6 Ba 2.7580623 -0.1057106 0.1614959 -0.0805989 2.6267734 -0.0023224 0.1720925 -0.0140543 2.5166575 7 Ba 2.7580623 0.1057106 0.1614959 0.0805989 2.6267734 0.0023224 0.1720925 0.0140543 2.5166575 8 Ba 2.7348356 -0.0436380 -0.0280976 -0.0048815 2.6154874 0.0914791 -0.0295627 0.1846536 2.6170558 9 B 1.0807078 0.2447032 -0.9845334 0.1934770 3.0073880 0.3050297 -1.0410698 0.2490393 2.1300469 10 B 1.0747763 0.0945777 -1.0593645 0.2027299 2.8208478 0.0650295 -1.1397294 0.1873414 2.1248314 11 B 1.0747763 -0.0945777 -1.0593645 -0.2027299 2.8208478 -0.0650295 -1.1397294 -0.1873414 2.1248314 12 B 1.0807078 -0.2447032 -0.9845334 -0.1934770 3.0073880 -0.3050297 -1.0410698 -0.2490393 2.1300469 13 B 1.0807078 -0.2447032 -0.9845334 -0.1934770 3.0073880 -0.3050297 -1.0410698 -0.2490393 2.1300469 14 B 1.0747763 -0.0945777 -1.0593645 -0.2027299 2.8208478 -0.0650295 -1.1397294 -0.1873414 2.1248314 15 B 1.0747763 0.0945777 -1.0593645 0.2027299 2.8208478 0.0650295 -1.1397294 0.1873414 2.1248314 16 B 1.0807078 0.2447032 -0.9845334 0.1934770 3.0073880 0.3050297 -1.0410698 0.2490393 2.1300469 17 O -1.3819398 -0.2631065 0.9936488 -0.3102914 -1.5374147 0.2164250 1.0534517 0.1507380 -2.4227244 18 O -1.4330271 -0.1004088 0.0369119 -0.1001883 -2.6987689 -0.0472471 0.0097514 -0.1059370 -1.5573482 19 O -1.6857332 -0.4303765 0.2957684 -0.4529322 -2.4016851 0.1909247 0.3309331 0.2365607 -1.6878148 20 O -1.5768318 0.0752779 0.2528363 0.0803655 -2.4912744 -0.2340411 0.2762776 -0.2948564 -1.4956546 21 O -1.5708501 0.2673461 0.3313341 0.2566086 -1.9413534 -0.3351690 0.3678557 -0.3524249 -2.2250496 22 O -1.5708501 -0.2673461 0.3313341 -0.2566086 -1.9413534 0.3351690 0.3678557 0.3524249 -2.2250496 23 O -1.5768318 -0.0752779 0.2528363 -0.0803655 -2.4912744 0.2340411 0.2762776 0.2948564 -1.4956546 24 O -1.6857332 0.4303765 0.2957684 0.4529322 -2.4016851 -0.1909247 0.3309331 -0.2365607 -1.6878148 25 O -1.4330271 0.1004088 0.0369119 0.1001883 -2.6987689 0.0472471 0.0097514 0.1059370 -1.5573482 26 O -1.3819398 0.2631065 0.9936488 0.3102914 -1.5374147 -0.2164250 1.0534517 -0.1507380 -2.4227244 27 O -1.3819398 0.2631065 0.9936488 0.3102914 -1.5374147 -0.2164250 1.0534517 -0.1507380 -2.4227244 28 O -1.4330271 0.1004088 0.0369119 0.1001883 -2.6987689 0.0472471 0.0097514 0.1059370 -1.5573482 29 O -1.6857332 0.4303765 0.2957684 0.4529322 -2.4016851 -0.1909247 0.3309331 -0.2365607 -1.6878148 30 O -1.5768318 -0.0752779 0.2528363 -0.0803655 -2.4912744 0.2340411 0.2762776 0.2948564 -1.4956546 31 O -1.5708501 -0.2673461 0.3313341 -0.2566086 -1.9413534 0.3351690 0.3678557 0.3524249 -2.2250496 32 O -1.5708501 0.2673461 0.3313341 0.2566086 -1.9413534 -0.3351690 0.3678557 -0.3524249 -2.2250496 33 O -1.5768318 0.0752779 0.2528363 0.0803655 -2.4912744 -0.2340411 0.2762776 -0.2948564 -1.4956546 34 O -1.6857332 -0.4303765 0.2957684 -0.4529322 -2.4016851 0.1909247 0.3309331 0.2365607 -1.6878148 35 O -1.4330271 -0.1004088 0.0369119 -0.1001883 -2.6987689 -0.0472471 0.0097514 -0.1059370 -1.5573482 36 O -1.3819398 -0.2631065 0.9936488 -0.3102914 -1.5374147 0.2164250 1.0534517 0.1507380 -2.4227244 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) 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 ... [ 6 9 4 ] 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: 0.50, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.244 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.410 ( 0.000 0.000 0.000) 0.000 12.182 ( 0.000 0.000 0.000) 0.000 12.197 ( 0.000 0.000 0.000) 0.000 12.588 ( 0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.906 ( 0.000 0.000 0.000) 0.000 12.969 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 17.501 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 17.555 ( 0.000 0.000 0.000) 0.000 17.651 ( 0.000 0.000 0.000) 0.000 18.319 ( 0.000 0.000 0.000) 0.000 18.383 ( 0.000 0.000 0.000) 0.000 18.419 ( 0.000 0.000 0.000) 0.000 18.551 ( 0.000 0.000 0.000) 0.000 20.872 ( 0.000 0.000 0.000) 0.000 20.895 ( 0.000 0.000 0.000) 0.000 21.169 ( 0.000 0.000 0.000) 0.000 21.194 ( 0.000 0.000 0.000) 0.000 21.286 ( 0.000 0.000 0.000) 0.000 21.316 ( 0.000 0.000 0.000) 0.000 21.675 ( 0.000 0.000 0.000) 0.000 21.686 ( 0.000 0.000 0.000) 0.000 22.587 ( 0.000 0.000 0.000) 0.000 22.706 ( 0.000 0.000 0.000) 0.000 22.749 ( 0.000 0.000 0.000) 0.000 22.769 ( 0.000 0.000 0.000) 0.000 29.291 ( 0.000 0.000 0.000) 0.000 29.303 ( 0.000 0.000 0.000) 0.000 29.306 ( 0.000 0.000 0.000) 0.000 29.326 ( 0.000 0.000 0.000) 0.000 32.886 ( 0.000 0.000 0.000) 0.000 32.963 ( 0.000 0.000 0.000) 0.000 33.110 ( 0.000 0.000 0.000) 0.000 34.639 ( 0.000 0.000 0.000) 0.000 35.940 ( 0.000 0.000 0.000) 0.000 35.987 ( 0.000 0.000 0.000) 0.000 36.067 ( 0.000 0.000 0.000) 0.000 36.677 ( 0.000 0.000 0.000) 0.000 39.164 ( 0.000 0.000 0.000) 0.000 39.456 ( 0.000 0.000 0.000) 0.000 39.540 ( 0.000 0.000 0.000) 0.000 39.595 ( 0.000 0.000 0.000) 0.000 39.718 ( 0.000 0.000 0.000) 0.000 39.908 ( 0.000 0.000 0.000) 0.000 39.949 ( 0.000 0.000 0.000) 0.000 40.161 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 23.336 0.000 -11.386) 25.966 0.482 ( 24.696 0.000 -4.318) 25.071 0.911 ( 45.271 0.000 -7.464) 45.882 1.401 ( 6.857 0.000 2.444) 7.279 1.454 ( 2.945 0.000 -0.868) 3.070 1.537 ( 0.855 0.000 -11.526) 11.558 1.715 ( -0.477 0.000 -3.285) 3.319 1.900 ( 11.118 0.000 8.963) 14.281 1.914 ( 0.446 0.000 4.570) 4.592 2.149 ( -5.087 0.000 -1.106) 5.206 2.280 ( -8.529 0.000 2.929) 9.018 2.335 ( -0.433 0.000 -0.145) 0.456 2.460 ( 0.350 0.000 -0.088) 0.361 2.502 ( -1.344 0.000 2.995) 3.283 2.582 ( -4.888 0.000 -3.300) 5.898 2.604 ( 3.043 0.000 4.067) 5.079 2.825 ( 4.469 0.000 4.537) 6.368 2.988 ( 9.685 0.000 -3.185) 10.196 3.063 ( 8.362 0.000 2.000) 8.598 3.312 ( -0.864 0.000 -0.344) 0.930 3.554 ( -4.335 0.000 0.121) 4.337 3.683 ( -10.775 0.000 0.176) 10.776 3.922 ( -3.204 0.000 -1.968) 3.760 4.036 ( -11.308 0.000 4.180) 12.056 4.231 ( -6.175 0.000 4.829) 7.839 4.259 ( -0.222 0.000 -1.415) 1.433 4.397 ( 1.270 0.000 -7.586) 7.692 4.483 ( -4.293 0.000 11.177) 11.973 4.550 ( -1.475 0.000 10.273) 10.378 4.612 ( -1.585 0.000 -0.159) 1.593 4.632 ( -4.673 0.000 -3.182) 5.653 4.685 ( -4.402 0.000 -0.842) 4.482 4.784 ( 5.919 0.000 -2.309) 6.354 4.803 ( -2.951 0.000 4.317) 5.229 5.085 ( 2.039 0.000 -0.380) 2.074 5.117 ( 2.894 0.000 -2.003) 3.520 5.282 ( -0.024 0.000 -0.836) 0.836 5.336 ( -3.777 0.000 -20.922) 21.260 5.495 ( -1.975 0.000 0.089) 1.977 5.592 ( -0.372 0.000 1.672) 1.713 5.622 ( 0.997 0.000 0.430) 1.085 5.719 ( -8.761 0.000 3.152) 9.311 5.799 ( -0.897 0.000 -4.783) 4.867 5.848 ( -4.124 0.000 -2.822) 4.997 5.969 ( 2.144 0.000 -0.241) 2.158 6.025 ( -4.821 0.000 -1.604) 5.081 6.168 ( -4.322 0.000 5.200) 6.762 6.275 ( -0.177 0.000 4.008) 4.012 6.310 ( 5.389 0.000 4.551) 7.054 6.449 ( -0.434 0.000 -2.080) 2.125 6.508 ( 4.422 0.000 0.610) 4.464 6.608 ( 7.456 0.000 -8.580) 11.367 6.715 ( -1.955 0.000 -4.627) 5.023 7.096 ( -5.091 0.000 -1.146) 5.218 7.265 ( 7.508 0.000 6.443) 9.893 7.423 ( 8.722 0.000 -9.151) 12.642 7.747 ( 7.729 0.000 -4.758) 9.076 7.990 ( -1.554 0.000 38.145) 38.177 8.334 ( 4.258 0.000 1.358) 4.470 8.833 ( -1.851 0.000 17.533) 17.630 12.187 ( -0.712 0.000 0.317) 0.779 12.246 ( 0.898 0.000 1.238) 1.529 12.573 ( -0.995 0.000 1.573) 1.861 12.634 ( 1.103 0.000 -0.905) 1.427 12.764 ( 0.703 0.000 -0.655) 0.961 12.916 ( -0.828 0.000 -0.040) 0.829 12.944 ( -2.300 0.000 1.829) 2.939 13.184 ( 0.149 0.000 0.832) 0.845 17.512 ( 1.061 0.000 -1.230) 1.625 17.539 ( 0.910 0.000 1.019) 1.366 17.639 ( -1.165 0.000 1.862) 2.196 17.708 ( -0.341 0.000 -21.213) 21.216 18.326 ( 0.697 0.000 0.782) 1.047 18.397 ( 1.290 0.000 -0.574) 1.412 18.413 ( -0.579 0.000 -0.534) 0.788 18.562 ( -1.017 0.000 -2.579) 2.772 20.883 ( -0.925 0.000 -0.896) 1.288 21.038 ( -0.840 0.000 4.570) 4.647 21.157 ( -0.797 0.000 -0.374) 0.880 21.276 ( -0.829 0.000 0.303) 0.883 21.372 ( 4.867 0.000 -1.432) 5.074 21.479 ( 1.465 0.000 22.837) 22.884 21.667 ( -0.847 0.000 0.952) 1.274 21.676 ( -0.928 0.000 -1.118) 1.453 22.595 ( 0.831 0.000 -0.900) 1.226 22.701 ( -0.662 0.000 0.963) 1.168 22.733 ( -1.061 0.000 0.288) 1.100 22.784 ( 0.948 0.000 -0.027) 0.949 29.291 ( 0.015 0.000 -0.626) 0.626 29.302 ( -0.064 0.000 0.335) 0.341 29.322 ( -0.283 0.000 0.003) 0.283 29.341 ( 0.337 0.000 -2.401) 2.425 32.945 ( 6.015 0.000 -3.294) 6.857 33.141 ( 2.879 0.000 4.021) 4.946 33.778 ( -0.514 0.000 -121.322) 121.323 34.452 ( -17.399 0.000 7.143) 18.809 35.941 ( 0.143 0.000 0.275) 0.310 35.968 ( -1.424 0.000 1.807) 2.301 36.211 ( 1.600 0.000 -25.862) 25.912 36.726 ( 3.654 0.000 4.328) 5.664 39.178 ( 1.405 0.000 0.134) 1.411 39.435 ( -3.002 0.000 -2.976) 4.227 39.543 ( 0.331 0.000 0.111) 0.349 39.595 ( -0.031 0.000 -0.440) 0.441 39.750 ( 2.800 0.000 -1.102) 3.010 39.892 ( -1.405 0.000 -0.065) 1.406 39.945 ( -0.798 0.000 -3.428) 3.520 40.159 ( -0.240 0.000 1.947) 1.962 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 22.174 0.000 -11.245) 24.862 0.970 ( 24.571 0.000 -2.976) 24.751 1.563 ( 7.490 0.000 -3.227) 8.155 1.566 ( 9.764 0.000 4.015) 10.558 1.575 ( 1.929 0.000 -5.379) 5.715 1.607 ( -7.691 0.000 3.701) 8.535 1.782 ( 36.727 0.000 -9.521) 37.941 1.849 ( -15.627 0.000 -2.908) 15.895 1.939 ( 2.673 0.000 3.320) 4.262 2.079 ( -10.168 0.000 2.386) 10.445 2.099 ( 1.442 0.000 5.288) 5.481 2.238 ( -7.859 0.000 3.502) 8.603 2.461 ( -6.047 0.000 -2.859) 6.689 2.562 ( 7.221 0.000 0.808) 7.266 2.632 ( 9.317 0.000 1.135) 9.386 2.754 ( 8.243 0.000 3.997) 9.161 2.919 ( 7.537 0.000 5.088) 9.093 3.178 ( 8.095 0.000 -3.026) 8.642 3.266 ( -4.816 0.000 2.058) 5.238 3.273 ( 11.547 0.000 3.160) 11.972 3.376 ( -15.699 0.000 -1.612) 15.781 3.420 ( -8.732 0.000 0.700) 8.760 3.765 ( -15.726 0.000 4.328) 16.310 3.800 ( -9.496 0.000 -4.418) 10.473 4.120 ( -4.574 0.000 0.294) 4.584 4.259 ( 0.742 0.000 -1.775) 1.924 4.398 ( 0.039 0.000 -5.680) 5.680 4.401 ( -4.037 0.000 1.692) 4.378 4.538 ( -0.521 0.000 7.200) 7.219 4.540 ( -5.174 0.000 0.717) 5.223 4.557 ( -5.565 0.000 0.079) 5.566 4.581 ( -1.166 0.000 -1.322) 1.763 4.766 ( -0.946 0.000 2.353) 2.536 4.906 ( 6.348 0.000 -2.702) 6.899 5.124 ( 1.716 0.000 -0.483) 1.783 5.180 ( 2.757 0.000 -2.443) 3.684 5.223 ( -5.918 0.000 -3.234) 6.744 5.304 ( 2.539 0.000 -2.854) 3.820 5.453 ( -2.033 0.000 0.022) 2.033 5.532 ( -9.105 0.000 3.693) 9.825 5.597 ( 1.041 0.000 2.732) 2.924 5.628 ( -0.304 0.000 0.670) 0.736 5.743 ( -5.503 0.000 -4.338) 7.007 5.797 ( 0.665 0.000 -2.760) 2.839 5.970 ( -1.249 0.000 0.549) 1.364 6.008 ( 1.621 0.000 -0.848) 1.829 6.123 ( -0.988 0.000 0.835) 1.293 6.270 ( -0.508 0.000 4.501) 4.529 6.401 ( 3.051 0.000 3.651) 4.758 6.424 ( -1.175 0.000 -2.107) 2.413 6.606 ( -1.293 0.000 -1.677) 2.117 6.646 ( 8.262 0.000 0.926) 8.314 6.858 ( 10.269 0.000 -9.901) 14.265 6.974 ( -7.012 0.000 -1.165) 7.108 7.202 ( -7.239 0.000 9.621) 12.041 7.727 ( 13.992 0.000 -9.915) 17.149 7.897 ( 6.362 0.000 -3.507) 7.265 7.987 ( -0.319 0.000 12.061) 12.066 8.418 ( 3.358 0.000 2.079) 3.949 8.803 ( -1.812 0.000 7.375) 7.594 12.175 ( -0.456 0.000 0.075) 0.462 12.263 ( 0.688 0.000 0.108) 0.697 12.559 ( -0.523 0.000 1.128) 1.243 12.650 ( 0.533 0.000 -0.339) 0.632 12.781 ( 0.981 0.000 -0.783) 1.255 12.895 ( -1.111 0.000 0.247) 1.138 12.899 ( -1.925 0.000 1.696) 2.565 13.186 ( 0.058 0.000 0.786) 0.788 17.539 ( 1.666 0.000 -2.162) 2.730 17.564 ( 1.326 0.000 1.667) 2.130 17.611 ( -1.713 0.000 2.759) 3.247 17.681 ( -1.243 0.000 -8.015) 8.111 18.346 ( 1.161 0.000 1.219) 1.683 18.396 ( -1.059 0.000 -0.973) 1.438 18.430 ( 2.021 0.000 -0.709) 2.142 18.532 ( -1.820 0.000 -0.568) 1.906 20.865 ( -0.696 0.000 -0.768) 1.036 21.024 ( -0.701 0.000 1.636) 1.780 21.145 ( -0.332 0.000 -0.253) 0.417 21.261 ( -0.568 0.000 0.110) 0.579 21.473 ( 4.782 0.000 -2.381) 5.342 21.531 ( 2.315 0.000 9.468) 9.746 21.643 ( -1.574 0.000 1.669) 2.294 21.650 ( -1.552 0.000 -2.263) 2.744 22.616 ( 1.274 0.000 -1.361) 1.864 22.684 ( -1.098 0.000 1.251) 1.665 22.715 ( -0.663 0.000 0.244) 0.707 22.799 ( 0.546 0.000 0.024) 0.546 29.292 ( 0.141 0.000 -0.998) 1.008 29.300 ( -0.221 0.000 0.711) 0.745 29.317 ( -0.196 0.000 0.084) 0.213 29.345 ( 0.195 0.000 -0.873) 0.894 33.109 ( 10.219 0.000 -5.951) 11.825 33.222 ( 4.438 0.000 7.645) 8.839 33.658 ( -4.812 0.000 -46.767) 47.014 34.060 ( -20.107 0.000 10.439) 22.655 35.945 ( 0.140 0.000 0.258) 0.294 35.948 ( -0.630 0.000 1.310) 1.454 36.225 ( 0.958 0.000 -8.633) 8.686 36.787 ( 1.779 0.000 3.923) 4.307 39.218 ( 2.512 0.000 0.233) 2.523 39.364 ( -3.708 0.000 -0.855) 3.805 39.551 ( 0.373 0.000 0.171) 0.410 39.593 ( -0.076 0.000 -0.510) 0.515 39.811 ( 3.198 0.000 -1.053) 3.366 39.864 ( -1.237 0.000 0.129) 1.244 39.918 ( -1.770 0.000 -0.771) 1.931 40.154 ( -0.307 0.000 1.552) 1.582 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 -0.000) 0.000 1.416 ( -0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 -0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 -0.000) 0.000 2.118 ( -0.000 0.000 -0.000) 0.000 2.129 ( 0.000 0.000 -0.000) 0.000 2.371 ( -0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 -0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 -0.000) 0.000 3.139 ( -0.000 0.000 -0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.396 ( -0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 -0.000) 0.000 3.546 ( -0.000 0.000 -0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 -0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.417 ( -0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 -0.000) 0.000 4.524 ( 0.000 0.000 -0.000) 0.000 4.536 ( 0.000 0.000 -0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 -0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.375 ( -0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 -0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 -0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.647 ( -0.000 0.000 -0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 -0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 -0.000) 0.000 7.039 ( 0.000 0.000 -0.000) 0.000 7.052 ( -0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.955 ( 0.000 0.000 -0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 -0.000) 0.000 8.785 ( 0.000 0.000 -0.000) 0.000 12.171 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 -0.000) 0.000 12.554 ( 0.000 0.000 -0.000) 0.000 12.655 ( 0.000 0.000 0.000) 0.000 12.793 ( 0.000 0.000 0.000) 0.000 12.880 ( 0.000 0.000 -0.000) 0.000 12.882 ( 0.000 0.000 0.000) 0.000 13.187 ( 0.000 0.000 0.000) 0.000 17.565 ( 0.000 0.000 -0.000) 0.000 17.582 ( 0.000 0.000 0.000) 0.000 17.584 ( 0.000 0.000 0.000) 0.000 17.661 ( 0.000 0.000 -0.000) 0.000 18.370 ( 0.000 0.000 -0.000) 0.000 18.374 ( 0.000 0.000 0.000) 0.000 18.460 ( 0.000 0.000 0.000) 0.000 18.504 ( 0.000 0.000 -0.000) 0.000 20.858 ( 0.000 0.000 -0.000) 0.000 21.017 ( 0.000 0.000 0.000) 0.000 21.142 ( 0.000 0.000 -0.000) 0.000 21.256 ( 0.000 0.000 0.000) 0.000 21.530 ( 0.000 0.000 0.000) 0.000 21.566 ( -0.000 0.000 -0.000) 0.000 21.620 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 22.633 ( 0.000 0.000 0.000) 0.000 22.668 ( 0.000 0.000 -0.000) 0.000 22.709 ( 0.000 0.000 -0.000) 0.000 22.805 ( 0.000 0.000 0.000) 0.000 29.295 ( 0.000 0.000 -0.000) 0.000 29.296 ( -0.000 0.000 0.000) 0.000 29.315 ( 0.000 0.000 0.000) 0.000 29.347 ( 0.000 0.000 -0.000) 0.000 33.253 ( 0.000 0.000 0.000) 0.000 33.285 ( 0.000 0.000 0.000) 0.000 33.576 ( -0.000 0.000 -0.000) 0.000 33.813 ( 0.000 0.000 0.000) 0.000 35.943 ( 0.000 0.000 -0.000) 0.000 35.946 ( 0.000 0.000 0.000) 0.000 36.232 ( 0.000 0.000 0.000) 0.000 36.804 ( 0.000 0.000 -0.000) 0.000 39.261 ( -0.000 0.000 -0.000) 0.000 39.308 ( 0.000 0.000 0.000) 0.000 39.555 ( 0.000 0.000 -0.000) 0.000 39.592 ( 0.000 0.000 0.000) 0.000 39.851 ( 0.000 0.000 -0.000) 0.000 39.860 ( 0.000 0.000 -0.000) 0.000 39.883 ( -0.000 0.000 0.000) 0.000 40.152 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 18.510 0.000) 18.510 0.580 ( 0.000 27.846 0.000) 27.846 1.085 ( 0.000 49.593 0.000) 49.593 1.492 ( 0.000 15.840 0.000) 15.840 1.519 ( 0.000 8.139 0.000) 8.139 1.575 ( 0.000 0.273 0.000) 0.273 1.631 ( 0.000 -0.052 0.000) 0.052 1.898 ( 0.000 -0.244 0.000) 0.244 1.948 ( 0.000 10.754 0.000) 10.754 2.169 ( 0.000 -0.728 0.000) 0.728 2.302 ( 0.000 -6.845 0.000) 6.845 2.331 ( 0.000 -1.480 0.000) 1.480 2.479 ( 0.000 -1.019 0.000) 1.019 2.574 ( 0.000 1.812 0.000) 1.812 2.589 ( 0.000 -3.452 0.000) 3.452 2.722 ( 0.000 0.094 0.000) 0.094 2.737 ( 0.000 6.207 0.000) 6.207 2.847 ( 0.000 0.720 0.000) 0.720 3.123 ( 0.000 12.953 0.000) 12.953 3.296 ( 0.000 -2.396 0.000) 2.396 3.566 ( 0.000 -2.170 0.000) 2.170 3.796 ( 0.000 0.735 0.000) 0.735 3.884 ( 0.000 -5.907 0.000) 5.907 4.113 ( 0.000 -5.721 0.000) 5.721 4.197 ( 0.000 -1.325 0.000) 1.325 4.243 ( 0.000 -0.933 0.000) 0.933 4.336 ( 0.000 0.441 0.000) 0.441 4.573 ( 0.000 -4.498 0.000) 4.498 4.582 ( 0.000 -0.728 0.000) 0.728 4.623 ( 0.000 3.613 0.000) 3.613 4.641 ( 0.000 1.357 0.000) 1.357 4.701 ( 0.000 -0.838 0.000) 0.838 4.733 ( 0.000 1.508 0.000) 1.508 4.920 ( 0.000 2.005 0.000) 2.005 4.985 ( 0.000 -5.527 0.000) 5.527 5.073 ( 0.000 0.750 0.000) 0.750 5.127 ( 0.000 3.897 0.000) 3.897 5.189 ( 0.000 -6.026 0.000) 6.026 5.588 ( 0.000 4.244 0.000) 4.244 5.647 ( 0.000 4.940 0.000) 4.940 5.687 ( 0.000 6.389 0.000) 6.389 5.707 ( 0.000 -4.987 0.000) 4.987 5.922 ( 0.000 7.068 0.000) 7.068 6.046 ( 0.000 0.108 0.000) 0.108 6.099 ( 0.000 -7.294 0.000) 7.294 6.125 ( 0.000 2.525 0.000) 2.525 6.188 ( 0.000 4.106 0.000) 4.106 6.271 ( 0.000 -1.080 0.000) 1.080 6.399 ( 0.000 -0.382 0.000) 0.382 6.412 ( 0.000 -0.613 0.000) 0.613 6.481 ( 0.000 3.903 0.000) 3.903 6.552 ( 0.000 6.327 0.000) 6.327 6.812 ( 0.000 0.513 0.000) 0.513 7.049 ( 0.000 3.901 0.000) 3.901 7.141 ( 0.000 -2.763 0.000) 2.763 7.245 ( 0.000 0.113 0.000) 0.113 7.730 ( 0.000 5.731 0.000) 5.731 8.242 ( 0.000 -3.113 0.000) 3.113 8.384 ( 0.000 -3.126 0.000) 3.126 8.466 ( 0.000 4.161 0.000) 4.161 12.152 ( 0.000 -2.643 0.000) 2.643 12.204 ( 0.000 0.645 0.000) 0.645 12.575 ( 0.000 -1.151 0.000) 1.151 12.641 ( 0.000 0.469 0.000) 0.469 12.771 ( 0.000 1.245 0.000) 1.245 12.915 ( 0.000 0.596 0.000) 0.596 12.965 ( 0.000 -0.425 0.000) 0.425 13.105 ( 0.000 -6.667 0.000) 6.667 17.487 ( 0.000 -1.199 0.000) 1.199 17.534 ( 0.000 0.435 0.000) 0.435 17.566 ( 0.000 0.873 0.000) 0.873 17.666 ( 0.000 -0.012 0.000) 0.012 18.334 ( 0.000 1.466 0.000) 1.466 18.382 ( 0.000 -0.171 0.000) 0.171 18.432 ( 0.000 0.904 0.000) 0.904 18.547 ( 0.000 -0.384 0.000) 0.384 20.870 ( 0.000 -0.222 0.000) 0.222 20.893 ( 0.000 -0.415 0.000) 0.415 21.165 ( 0.000 -0.425 0.000) 0.425 21.187 ( 0.000 -0.665 0.000) 0.665 21.288 ( 0.000 0.150 0.000) 0.150 21.312 ( 0.000 -0.323 0.000) 0.323 21.665 ( 0.000 -0.935 0.000) 0.935 21.675 ( 0.000 -1.068 0.000) 1.068 22.587 ( 0.000 0.102 0.000) 0.102 22.628 ( 0.000 -5.422 0.000) 5.422 22.785 ( 0.000 0.346 0.000) 0.346 22.797 ( 0.000 1.122 0.000) 1.122 29.288 ( 0.000 -0.320 0.000) 0.320 29.296 ( 0.000 -1.215 0.000) 1.215 29.303 ( 0.000 -0.307 0.000) 0.307 29.318 ( 0.000 -0.780 0.000) 0.780 32.890 ( 0.000 0.361 0.000) 0.361 32.936 ( 0.000 -2.516 0.000) 2.516 33.088 ( 0.000 -2.089 0.000) 2.089 34.672 ( 0.000 -20.344 0.000) 20.344 35.952 ( 0.000 0.888 0.000) 0.888 35.987 ( 0.000 0.082 0.000) 0.082 36.053 ( 0.000 -1.282 0.000) 1.282 36.598 ( 0.000 -12.269 0.000) 12.269 39.386 ( 0.000 17.580 0.000) 17.580 39.471 ( 0.000 1.803 0.000) 1.803 39.614 ( 0.000 7.854 0.000) 7.854 39.685 ( 0.000 0.989 0.000) 0.989 39.769 ( 0.000 5.780 0.000) 5.780 39.858 ( 0.000 0.635 0.000) 0.635 40.323 ( 0.000 28.201 0.000) 28.201 43.191 ( 0.000 -3.334 0.000) 3.334 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 16.100 14.548 -2.354) 21.826 0.753 ( 15.958 18.717 -2.304) 24.704 1.316 ( 18.699 23.461 -6.442) 30.685 1.496 ( 5.783 10.370 -5.644) 13.146 1.548 ( 4.457 12.841 -4.232) 14.236 1.563 ( 4.222 8.350 -0.054) 9.357 1.790 ( 0.663 1.065 1.437) 1.908 1.948 ( 6.099 2.363 8.330) 10.591 1.997 ( 3.736 8.089 -3.146) 9.449 2.089 ( -5.319 -3.545 -1.038) 6.476 2.258 ( -6.365 -2.132 3.842) 7.734 2.331 ( -0.555 -2.496 3.842) 4.616 2.436 ( -2.412 -2.009 0.937) 3.276 2.546 ( -0.017 2.411 1.372) 2.774 2.604 ( 0.852 2.204 -0.032) 2.363 2.655 ( 0.899 6.671 1.227) 6.842 2.788 ( 5.756 -2.235 0.953) 6.248 3.018 ( 9.599 1.353 -1.495) 9.808 3.154 ( 3.370 9.734 1.667) 10.435 3.287 ( -0.921 -2.403 -0.070) 2.574 3.536 ( -3.274 -1.434 -0.311) 3.588 3.694 ( -10.298 0.953 0.039) 10.342 3.861 ( -2.563 -5.499 -2.113) 6.424 4.003 ( -10.481 -3.663 2.877) 11.470 4.204 ( -2.167 -0.837 1.760) 2.914 4.247 ( -0.062 -2.976 -0.285) 2.991 4.345 ( 0.148 1.760 4.561) 4.891 4.518 ( -3.869 -3.237 -5.265) 7.291 4.588 ( -1.795 -1.225 -2.163) 3.066 4.613 ( -1.030 0.353 -4.147) 4.288 4.621 ( -0.643 5.564 4.898) 7.441 4.709 ( 0.870 -2.972 1.038) 3.266 4.785 ( -3.449 4.227 3.261) 6.356 4.806 ( -0.780 -1.010 2.490) 2.798 5.062 ( 4.834 -3.423 -2.796) 6.550 5.141 ( 2.713 -0.697 -4.680) 5.454 5.168 ( 4.180 -0.977 -1.707) 4.620 5.217 ( 2.580 -3.792 -0.635) 4.630 5.545 ( -3.818 3.296 2.708) 5.725 5.651 ( 0.704 5.457 1.265) 5.645 5.669 ( -2.927 -1.338 1.548) 3.571 5.700 ( -0.767 4.346 -0.805) 4.486 5.884 ( -1.830 5.208 -2.896) 6.234 5.987 ( -5.474 3.288 -4.798) 7.987 6.056 ( -3.734 1.046 3.084) 4.955 6.117 ( -1.321 3.461 -0.396) 3.726 6.172 ( -4.073 4.266 4.355) 7.332 6.263 ( -1.362 1.667 -3.453) 4.069 6.337 ( 1.301 2.162 4.902) 5.513 6.441 ( 3.679 -1.990 -0.690) 4.239 6.537 ( 2.656 4.433 -0.106) 5.169 6.626 ( 0.979 2.067 -1.914) 2.983 6.700 ( 2.856 1.921 -6.163) 7.059 7.078 ( -3.631 -0.970 1.063) 3.906 7.311 ( 4.811 1.372 5.545) 7.468 7.341 ( 15.368 -3.699 -8.185) 17.800 7.764 ( 3.812 0.736 -2.409) 4.569 8.022 ( -10.690 1.846 18.646) 21.572 8.381 ( 2.543 3.130 1.798) 4.415 8.628 ( 3.716 -11.704 3.218) 12.695 12.166 ( 0.488 -4.257 0.182) 4.288 12.191 ( -0.887 -0.180 1.058) 1.392 12.570 ( -0.484 -0.736 0.721) 1.138 12.667 ( 1.982 0.935 -1.720) 2.786 12.772 ( 0.164 1.112 -0.003) 1.124 12.886 ( -3.203 -1.788 1.747) 4.063 12.950 ( -0.395 -0.336 0.176) 0.547 13.145 ( 2.750 -3.134 -0.339) 4.184 17.508 ( 1.351 -0.675 -1.756) 2.316 17.540 ( 0.849 0.371 1.072) 1.417 17.623 ( 2.134 -1.804 -4.389) 5.203 17.659 ( 0.004 -1.162 -4.264) 4.419 18.340 ( 0.546 1.310 0.795) 1.627 18.388 ( 0.584 -0.394 -0.633) 0.947 18.431 ( 0.078 1.215 -0.626) 1.369 18.548 ( -0.384 -0.825 -0.922) 1.295 20.878 ( -0.859 -0.507 -0.717) 1.228 20.961 ( 3.248 -5.167 4.197) 7.407 21.153 ( -0.743 -0.323 -0.338) 0.878 21.232 ( 1.793 -3.697 2.153) 4.638 21.329 ( 5.010 -2.371 2.044) 5.908 21.370 ( 5.080 -1.106 -0.265) 5.206 21.652 ( -1.279 -1.290 0.436) 1.868 21.666 ( -0.903 -1.041 -0.671) 1.533 22.576 ( -0.117 -0.070 0.532) 0.550 22.634 ( 0.567 -4.666 0.907) 4.787 22.765 ( -1.582 1.138 0.150) 1.954 22.799 ( -0.129 0.292 -0.066) 0.325 29.287 ( -0.003 -0.334 -0.538) 0.634 29.293 ( -0.105 -0.812 0.242) 0.854 29.306 ( -0.020 -1.098 -0.266) 1.129 29.325 ( 0.519 -0.983 -0.613) 1.270 32.943 ( 5.301 -0.199 -2.994) 6.091 33.070 ( 4.162 -7.839 -9.679) 13.132 33.230 ( 14.762 -15.111 -26.957) 34.248 34.435 ( -20.316 -13.752 4.990) 25.035 35.934 ( -0.616 -0.300 -0.790) 1.046 35.977 ( -1.238 0.562 0.993) 1.684 36.116 ( 4.531 -3.266 -3.798) 6.754 36.642 ( 3.191 -10.884 1.498) 11.441 39.379 ( -0.561 16.512 0.217) 16.523 39.447 ( -2.078 2.828 0.521) 3.548 39.614 ( 0.034 7.142 -0.170) 7.144 39.665 ( -1.710 1.573 0.985) 2.523 39.808 ( 3.946 5.687 -1.178) 7.021 39.899 ( 3.630 3.860 -1.514) 5.511 40.292 ( -2.967 26.425 1.383) 26.627 41.804 ( -78.248 71.513 -12.489) 106.737 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 19.355 8.887 -11.658) 24.280 1.094 ( 17.481 9.152 1.907) 19.824 1.519 ( 7.271 -1.342 -6.516) 9.856 1.608 ( 1.321 3.509 -2.450) 4.479 1.659 ( 3.343 4.437 4.404) 7.089 1.665 ( -7.301 3.344 2.505) 8.413 1.813 ( -12.722 -0.843 -2.754) 13.044 1.965 ( 17.022 14.030 -3.762) 22.377 2.053 ( 0.442 3.995 3.059) 5.051 2.076 ( 5.380 9.641 -1.302) 11.117 2.178 ( -2.535 0.500 5.790) 6.340 2.245 ( -0.496 5.903 3.604) 6.934 2.477 ( 0.255 0.137 -2.439) 2.456 2.564 ( 5.316 0.983 0.491) 5.428 2.717 ( 6.844 5.459 0.381) 8.762 2.784 ( 9.245 4.482 2.298) 10.528 2.928 ( 9.578 0.506 3.097) 10.078 3.150 ( 2.910 -3.254 -2.814) 5.194 3.239 ( 0.822 0.478 2.550) 2.722 3.304 ( 6.892 0.697 2.749) 7.452 3.399 ( -16.573 2.502 -0.747) 16.777 3.432 ( -7.369 1.356 0.174) 7.494 3.743 ( -14.663 -2.422 2.891) 15.140 3.756 ( -8.771 -3.834 -3.782) 10.292 4.123 ( -4.441 0.952 0.263) 4.550 4.268 ( 2.484 -0.651 -2.126) 3.334 4.336 ( -0.593 0.482 1.909) 2.056 4.454 ( -2.960 -0.798 -3.202) 4.432 4.508 ( -5.153 -1.312 -0.036) 5.317 4.591 ( -2.621 2.415 -0.180) 3.568 4.613 ( -0.113 5.440 -3.934) 6.715 4.635 ( -3.370 4.338 7.969) 9.678 4.733 ( 0.028 -2.634 2.425) 3.580 4.891 ( 4.626 -1.688 -2.988) 5.760 5.139 ( 1.927 -1.565 -1.824) 3.080 5.166 ( 0.117 -1.702 -1.479) 2.258 5.216 ( 1.859 2.555 0.729) 3.243 5.292 ( 4.757 -0.244 -2.421) 5.343 5.469 ( -3.436 2.085 1.140) 4.177 5.561 ( -6.849 0.905 2.370) 7.304 5.677 ( 0.518 6.973 1.426) 7.136 5.686 ( 0.715 6.541 2.058) 6.894 5.851 ( -3.555 4.613 -6.518) 8.740 5.880 ( -3.213 7.512 -2.720) 8.611 6.007 ( 0.016 2.090 2.856) 3.539 6.038 ( -3.777 6.030 0.517) 7.134 6.134 ( -1.344 1.690 -0.149) 2.165 6.265 ( 0.508 -2.179 -0.753) 2.361 6.379 ( 1.973 0.180 4.033) 4.494 6.488 ( -2.827 -0.638 -1.822) 3.423 6.530 ( 2.932 2.745 1.119) 4.169 6.699 ( 6.674 3.058 0.035) 7.341 6.876 ( 9.471 1.867 -6.184) 11.464 6.990 ( -4.380 1.053 0.599) 4.544 7.285 ( -5.318 5.841 4.107) 8.903 7.603 ( 8.256 -7.899 -4.303) 12.209 7.827 ( -0.515 -8.941 6.533) 11.086 7.999 ( 8.943 1.447 -3.966) 9.889 8.409 ( -1.181 0.095 4.195) 4.359 8.644 ( -0.527 -13.485 3.333) 13.901 12.159 ( -0.767 -1.949 0.278) 2.113 12.183 ( -0.101 -4.790 0.346) 4.804 12.563 ( -0.239 -0.173 0.811) 0.863 12.699 ( 1.095 1.751 -0.675) 2.172 12.765 ( -0.998 -0.952 0.506) 1.470 12.846 ( -0.299 -1.893 0.130) 1.921 12.935 ( -1.097 1.341 0.627) 1.843 13.190 ( 1.634 0.151 0.029) 1.641 17.537 ( 1.668 -0.285 -2.244) 2.811 17.565 ( 1.314 0.226 1.672) 2.138 17.612 ( -1.696 -0.021 2.833) 3.302 17.661 ( -0.134 -1.568 -6.594) 6.779 18.355 ( 0.906 0.927 1.249) 1.800 18.392 ( -0.364 -0.222 -1.040) 1.124 18.444 ( 1.410 1.113 -0.808) 1.970 18.527 ( -1.568 -0.439 -0.254) 1.648 20.861 ( -0.668 -0.405 -0.679) 1.035 20.987 ( 0.136 -3.308 1.635) 3.693 21.143 ( -0.284 -0.221 -0.231) 0.427 21.243 ( -0.066 -1.838 0.444) 1.892 21.439 ( 5.022 -3.583 1.543) 6.359 21.475 ( 4.556 -2.676 1.575) 5.514 21.617 ( -2.078 -2.008 -0.184) 2.896 21.638 ( -1.781 -1.277 -0.471) 2.241 22.597 ( 1.948 -0.723 -0.627) 2.171 22.648 ( 0.544 -2.821 1.242) 3.130 22.728 ( -2.012 0.564 0.263) 2.106 22.793 ( -0.432 -0.815 -0.129) 0.931 29.287 ( 0.074 -0.397 -0.806) 0.901 29.291 ( -0.108 -0.723 0.477) 0.873 29.305 ( -0.098 -1.049 0.039) 1.055 29.332 ( 0.226 -1.071 -0.440) 1.180 33.080 ( 7.316 -4.099 -3.695) 9.164 33.141 ( 4.515 -5.834 -2.170) 7.690 33.406 ( 4.733 -15.223 -21.272) 26.583 34.012 ( -20.283 -8.231 7.938) 23.285 35.930 ( 0.189 -0.797 0.282) 0.867 35.955 ( -0.923 0.320 0.349) 1.037 36.186 ( 2.558 -2.913 -3.226) 5.043 36.691 ( 1.405 -9.469 1.983) 9.776 39.370 ( -0.288 12.145 0.332) 12.153 39.406 ( -1.796 6.139 0.245) 6.401 39.616 ( 0.194 5.814 -0.239) 5.822 39.636 ( -1.079 1.611 0.560) 2.018 39.905 ( 5.508 9.063 -1.248) 10.679 39.981 ( 4.154 11.797 -1.396) 12.585 40.222 ( -3.494 22.963 1.724) 23.291 40.780 ( -29.992 49.536 -3.755) 58.030 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 2.430 -0.000) 2.430 1.364 ( -0.000 3.422 -0.000) 3.422 1.430 ( 0.000 0.919 0.000) 0.919 1.456 ( -0.000 4.119 -0.000) 4.119 1.647 ( 0.000 -2.553 -0.000) 2.553 1.668 ( 0.000 5.649 -0.000) 5.649 1.818 ( -0.000 -3.507 0.000) 3.507 1.844 ( 0.000 8.131 -0.000) 8.131 2.054 ( 0.000 2.332 0.000) 2.332 2.141 ( -0.000 5.823 0.000) 5.823 2.218 ( -0.000 6.413 0.000) 6.413 2.458 ( 0.000 5.644 0.000) 5.644 2.526 ( -0.000 11.351 0.000) 11.351 2.656 ( -0.000 -1.112 0.000) 1.112 2.768 ( -0.000 5.924 0.000) 5.924 2.797 ( 0.000 10.623 -0.000) 10.623 3.091 ( 0.000 -2.995 0.000) 2.995 3.129 ( -0.000 -1.166 -0.000) 1.166 3.218 ( 0.000 1.176 0.000) 1.176 3.279 ( 0.000 3.282 -0.000) 3.282 3.342 ( -0.000 -3.987 0.000) 3.987 3.464 ( -0.000 -3.152 -0.000) 3.152 3.525 ( 0.000 -2.016 -0.000) 2.016 3.570 ( 0.000 1.139 0.000) 1.139 4.075 ( 0.000 1.003 -0.000) 1.003 4.316 ( -0.000 2.957 0.000) 2.957 4.340 ( 0.000 -1.441 -0.000) 1.441 4.403 ( -0.000 0.586 0.000) 0.586 4.427 ( 0.000 -1.352 -0.000) 1.352 4.561 ( 0.000 3.197 0.000) 3.197 4.612 ( 0.000 5.836 -0.000) 5.836 4.617 ( -0.000 3.813 0.000) 3.813 4.735 ( 0.000 -1.822 -0.000) 1.822 4.950 ( 0.000 -4.686 -0.000) 4.686 5.118 ( 0.000 -0.520 0.000) 0.520 5.189 ( 0.000 1.802 0.000) 1.802 5.241 ( 0.000 2.778 -0.000) 2.778 5.365 ( -0.000 -1.260 0.000) 1.260 5.436 ( 0.000 4.220 -0.000) 4.220 5.460 ( 0.000 2.241 -0.000) 2.241 5.668 ( 0.000 6.331 -0.000) 6.331 5.734 ( 0.000 8.580 0.000) 8.580 5.770 ( 0.000 7.033 -0.000) 7.033 5.855 ( 0.000 5.058 0.000) 5.058 5.995 ( 0.000 4.600 -0.000) 4.600 6.030 ( 0.000 1.589 0.000) 1.589 6.112 ( -0.000 -0.151 -0.000) 0.151 6.269 ( 0.000 -1.915 0.000) 1.915 6.416 ( 0.000 0.073 0.000) 0.073 6.438 ( -0.000 0.916 -0.000) 0.916 6.569 ( 0.000 1.002 -0.000) 1.002 6.817 ( 0.000 1.483 -0.000) 1.483 6.868 ( -0.000 3.591 0.000) 3.591 7.047 ( 0.000 0.840 0.000) 0.840 7.181 ( 0.000 10.188 -0.000) 10.188 7.677 ( 0.000 -12.050 -0.000) 12.050 7.816 ( 0.000 -12.155 0.000) 12.155 8.147 ( 0.000 8.787 -0.000) 8.787 8.362 ( -0.000 -8.467 0.000) 8.467 8.641 ( 0.000 -12.841 -0.000) 12.841 12.150 ( 0.000 -1.751 0.000) 1.751 12.182 ( 0.000 -5.981 0.000) 5.981 12.561 ( 0.000 0.064 -0.000) 0.064 12.708 ( 0.000 1.197 -0.000) 1.197 12.753 ( 0.000 -1.199 0.000) 1.199 12.851 ( 0.000 -2.170 -0.000) 2.170 12.920 ( 0.000 2.863 0.000) 2.863 13.207 ( 0.000 1.239 -0.000) 1.239 17.563 ( 0.000 -0.178 -0.000) 0.178 17.582 ( -0.000 -0.298 0.000) 0.298 17.587 ( 0.000 0.328 0.000) 0.328 17.653 ( 0.000 -0.809 -0.000) 0.809 18.373 ( -0.000 0.306 -0.000) 0.306 18.380 ( 0.000 0.581 0.000) 0.581 18.470 ( 0.000 0.831 -0.000) 0.831 18.500 ( -0.000 -0.305 0.000) 0.305 20.854 ( -0.000 -0.368 -0.000) 0.368 20.987 ( 0.000 -2.723 0.000) 2.723 21.140 ( -0.000 -0.174 -0.000) 0.174 21.242 ( 0.000 -1.402 0.000) 1.402 21.512 ( -0.000 -1.621 0.000) 1.621 21.517 ( 0.000 -3.798 -0.000) 3.798 21.592 ( 0.000 -2.716 0.000) 2.716 21.607 ( 0.000 -1.415 0.000) 1.415 22.629 ( -0.000 -0.234 0.000) 0.234 22.649 ( 0.000 -1.444 -0.000) 1.444 22.702 ( 0.000 -0.590 -0.000) 0.590 22.787 ( 0.000 -1.568 0.000) 1.568 29.289 ( 0.000 -0.524 -0.000) 0.524 29.289 ( -0.000 -0.567 0.000) 0.567 29.303 ( 0.000 -0.997 0.000) 0.997 29.334 ( 0.000 -1.081 0.000) 1.081 33.146 ( -0.000 -10.671 -0.000) 10.671 33.230 ( -0.000 -2.278 0.000) 2.278 33.442 ( -0.000 -11.186 0.000) 11.186 33.766 ( 0.000 -5.853 -0.000) 5.853 35.936 ( -0.000 -0.746 0.000) 0.746 35.942 ( -0.000 0.049 0.000) 0.049 36.210 ( -0.000 -2.238 -0.000) 2.238 36.704 ( -0.000 -9.203 0.000) 9.203 39.369 ( -0.000 5.802 -0.000) 5.802 39.385 ( 0.000 11.652 0.000) 11.652 39.619 ( -0.000 6.076 0.000) 6.076 39.625 ( 0.000 0.724 -0.000) 0.724 39.999 ( 0.000 16.922 -0.000) 16.922 40.003 ( -0.000 12.029 0.000) 12.029 40.197 ( -0.000 27.166 -0.000) 27.166 40.472 ( -0.000 26.310 -0.000) 26.310 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 18.324 0.000) 18.324 1.103 ( 0.000 23.457 0.000) 23.457 1.610 ( 0.000 -2.307 0.000) 2.307 1.643 ( 0.000 5.797 0.000) 5.797 1.670 ( 0.000 12.294 0.000) 12.294 1.702 ( 0.000 8.605 0.000) 8.605 1.896 ( 0.000 1.935 0.000) 1.935 2.012 ( 0.000 -2.825 0.000) 2.825 2.113 ( 0.000 3.933 0.000) 3.933 2.165 ( 0.000 -0.742 0.000) 0.742 2.173 ( 0.000 28.221 0.000) 28.221 2.267 ( 0.000 -4.479 0.000) 4.479 2.475 ( 0.000 0.444 0.000) 0.444 2.517 ( 0.000 -2.334 0.000) 2.334 2.635 ( 0.000 2.396 0.000) 2.396 2.710 ( 0.000 -0.765 0.000) 0.765 2.904 ( 0.000 9.532 0.000) 9.532 2.906 ( 0.000 3.557 0.000) 3.557 3.240 ( 0.000 -1.472 0.000) 1.472 3.449 ( 0.000 16.547 0.000) 16.547 3.537 ( 0.000 -0.188 0.000) 0.188 3.723 ( 0.000 -8.385 0.000) 8.385 3.811 ( 0.000 -1.124 0.000) 1.124 3.954 ( 0.000 -9.148 0.000) 9.148 4.205 ( 0.000 1.820 0.000) 1.820 4.216 ( 0.000 -1.574 0.000) 1.574 4.341 ( 0.000 0.321 0.000) 0.321 4.405 ( 0.000 -8.110 0.000) 8.110 4.560 ( 0.000 -2.005 0.000) 2.005 4.616 ( 0.000 -1.746 0.000) 1.746 4.713 ( 0.000 0.564 0.000) 0.564 4.757 ( 0.000 3.784 0.000) 3.784 4.784 ( 0.000 2.849 0.000) 2.849 4.886 ( 0.000 -1.085 0.000) 1.085 4.938 ( 0.000 0.245 0.000) 0.245 5.014 ( 0.000 -5.247 0.000) 5.247 5.168 ( 0.000 2.718 0.000) 2.718 5.232 ( 0.000 5.765 0.000) 5.765 5.626 ( 0.000 -2.291 0.000) 2.291 5.655 ( 0.000 2.283 0.000) 2.283 5.780 ( 0.000 6.652 0.000) 6.652 5.812 ( 0.000 2.642 0.000) 2.642 5.978 ( 0.000 -3.500 0.000) 3.500 5.989 ( 0.000 0.673 0.000) 0.673 6.033 ( 0.000 2.599 0.000) 2.599 6.130 ( 0.000 -2.599 0.000) 2.599 6.199 ( 0.000 -3.973 0.000) 3.973 6.323 ( 0.000 1.878 0.000) 1.878 6.393 ( 0.000 5.186 0.000) 5.186 6.503 ( 0.000 8.176 0.000) 8.176 6.586 ( 0.000 6.264 0.000) 6.264 6.720 ( 0.000 8.237 0.000) 8.237 6.804 ( 0.000 -1.868 0.000) 1.868 7.078 ( 0.000 -2.786 0.000) 2.786 7.127 ( 0.000 3.552 0.000) 3.552 7.312 ( 0.000 6.987 0.000) 6.987 7.812 ( 0.000 0.347 0.000) 0.347 8.168 ( 0.000 -4.436 0.000) 4.436 8.334 ( 0.000 -0.280 0.000) 0.280 8.545 ( 0.000 3.309 0.000) 3.309 12.098 ( 0.000 -2.073 0.000) 2.073 12.222 ( 0.000 1.126 0.000) 1.126 12.545 ( 0.000 -2.007 0.000) 2.007 12.600 ( 0.000 -4.807 0.000) 4.807 12.805 ( 0.000 2.179 0.000) 2.179 12.893 ( 0.000 -4.333 0.000) 4.333 12.980 ( 0.000 1.613 0.000) 1.613 12.991 ( 0.000 -1.967 0.000) 1.967 17.463 ( 0.000 -0.964 0.000) 0.964 17.545 ( 0.000 0.567 0.000) 0.567 17.583 ( 0.000 0.786 0.000) 0.786 17.660 ( 0.000 -0.628 0.000) 0.628 18.374 ( 0.000 2.349 0.000) 2.349 18.380 ( 0.000 0.130 0.000) 0.130 18.456 ( 0.000 1.375 0.000) 1.375 18.533 ( 0.000 -1.046 0.000) 1.046 20.864 ( 0.000 -0.311 0.000) 0.311 20.882 ( 0.000 -0.631 0.000) 0.631 21.154 ( 0.000 -0.578 0.000) 0.578 21.170 ( 0.000 -0.936 0.000) 0.936 21.291 ( 0.000 0.125 0.000) 0.125 21.304 ( 0.000 -0.408 0.000) 0.408 21.640 ( 0.000 -1.406 0.000) 1.406 21.647 ( 0.000 -1.599 0.000) 1.599 22.534 ( 0.000 -3.191 0.000) 3.191 22.595 ( 0.000 0.784 0.000) 0.784 22.785 ( 0.000 -0.542 0.000) 0.542 22.804 ( 0.000 -0.343 0.000) 0.343 29.270 ( 0.000 -1.205 0.000) 1.205 29.279 ( 0.000 -0.472 0.000) 0.472 29.293 ( 0.000 -0.647 0.000) 0.647 29.297 ( 0.000 -1.179 0.000) 1.179 32.869 ( 0.000 -3.395 0.000) 3.395 32.904 ( 0.000 0.718 0.000) 0.718 33.032 ( 0.000 -3.247 0.000) 3.247 34.151 ( 0.000 -28.868 0.000) 28.868 35.965 ( 0.000 0.284 0.000) 0.284 35.993 ( 0.000 0.483 0.000) 0.483 36.021 ( 0.000 -1.671 0.000) 1.671 36.363 ( 0.000 -9.918 0.000) 9.918 39.521 ( 0.000 2.876 0.000) 2.876 39.638 ( 0.000 5.072 0.000) 5.072 39.723 ( 0.000 3.092 0.000) 3.092 39.826 ( 0.000 8.685 0.000) 8.685 39.922 ( 0.000 8.593 0.000) 8.593 40.020 ( 0.000 18.223 0.000) 18.223 40.983 ( 0.000 34.996 0.000) 34.996 43.089 ( 0.000 -6.855 0.000) 6.855 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 13.315 14.456 3.026) 19.885 1.176 ( 7.303 20.880 -4.475) 22.568 1.497 ( -2.022 5.620 -5.578) 8.173 1.661 ( -0.517 5.212 3.280) 6.180 1.735 ( 2.653 6.913 -3.320) 8.115 1.782 ( 1.837 0.726 2.623) 3.284 1.944 ( -3.566 -2.291 -4.343) 6.069 2.033 ( 11.169 2.509 5.569) 12.730 2.135 ( 1.645 2.018 -1.414) 2.963 2.186 ( -2.497 3.868 0.703) 4.657 2.232 ( 4.208 18.141 -0.164) 18.623 2.260 ( 6.160 4.370 3.317) 8.249 2.412 ( -5.008 0.596 4.007) 6.441 2.571 ( 3.732 0.738 0.989) 3.931 2.630 ( 3.193 0.671 1.379) 3.542 2.768 ( 4.841 1.746 -4.532) 6.857 2.873 ( 1.687 11.118 0.687) 11.266 3.019 ( 4.860 -1.734 -1.110) 5.278 3.245 ( 1.063 0.290 0.163) 1.114 3.416 ( -3.433 12.658 1.006) 13.154 3.520 ( -1.773 0.620 -0.496) 1.942 3.675 ( -6.173 -5.555 -0.406) 8.315 3.746 ( -5.160 -3.500 -1.370) 6.384 3.891 ( -6.666 -6.758 0.656) 9.515 4.192 ( -0.683 -0.859 0.603) 1.252 4.230 ( 0.598 0.971 1.521) 1.901 4.368 ( 0.086 -0.848 2.507) 2.648 4.392 ( -0.403 -5.531 -1.459) 5.734 4.580 ( 2.801 -1.936 -4.400) 5.564 4.615 ( -1.749 0.117 -4.759) 5.071 4.666 ( -3.079 1.214 2.973) 4.449 4.714 ( -0.965 -1.377 2.113) 2.700 4.789 ( -3.152 3.085 1.443) 4.641 4.859 ( -0.138 2.736 2.510) 3.716 5.008 ( 5.105 -1.425 -0.050) 5.300 5.042 ( 2.393 -5.509 -2.122) 6.370 5.210 ( 3.846 2.411 0.161) 4.542 5.258 ( 2.434 5.216 0.054) 5.756 5.602 ( -3.052 1.364 0.103) 3.345 5.615 ( -2.735 -1.129 1.538) 3.335 5.799 ( 2.364 7.750 -0.352) 8.110 5.831 ( 1.296 4.644 0.893) 4.903 5.926 ( -2.450 1.386 -0.727) 2.907 6.016 ( 1.345 -3.261 0.460) 3.558 6.026 ( -1.326 1.104 -1.631) 2.374 6.143 ( -1.147 -0.385 2.231) 2.538 6.216 ( 3.257 -3.600 -3.915) 6.237 6.293 ( -3.609 5.866 3.321) 7.646 6.403 ( -2.370 3.548 -0.953) 4.372 6.496 ( 0.298 6.117 0.061) 6.124 6.606 ( 6.211 3.662 1.300) 7.326 6.703 ( -1.840 4.138 3.306) 5.607 6.828 ( 4.194 7.932 -6.483) 11.069 7.062 ( -2.284 -0.162 0.409) 2.326 7.277 ( 6.139 -0.323 -5.286) 8.108 7.364 ( 9.646 2.667 1.731) 10.157 7.743 ( -5.437 -3.184 0.757) 6.346 8.062 ( -8.297 1.834 6.884) 10.935 8.353 ( 1.127 -5.512 -3.445) 6.597 8.533 ( -2.211 1.854 2.524) 3.834 12.092 ( -0.433 -2.469 -0.511) 2.558 12.200 ( -2.058 0.932 1.501) 2.712 12.534 ( -0.654 -2.971 1.126) 3.244 12.624 ( 1.504 -5.125 0.663) 5.382 12.798 ( -0.644 1.034 -0.894) 1.511 12.884 ( -3.764 1.605 1.113) 4.241 12.917 ( 1.975 -2.212 0.107) 2.967 13.100 ( 5.333 -1.105 -2.415) 5.957 17.486 ( 1.958 -1.150 -2.139) 3.119 17.553 ( 0.773 0.673 1.266) 1.629 17.601 ( 1.434 -0.389 -2.762) 3.136 17.647 ( -1.251 -0.680 0.691) 1.582 18.375 ( 0.135 1.805 0.852) 2.001 18.386 ( 0.520 0.500 -0.712) 1.014 18.458 ( 0.257 1.393 -0.639) 1.554 18.531 ( -0.341 -1.000 -0.072) 1.059 20.865 ( -0.568 -0.714 -0.209) 0.936 20.893 ( 1.358 -1.858 1.188) 2.590 21.145 ( -0.583 -0.443 -0.232) 0.768 21.181 ( 0.902 -1.697 0.588) 2.010 21.314 ( 2.502 -0.099 0.052) 2.504 21.350 ( 3.890 -0.967 -0.397) 4.028 21.622 ( -1.729 -1.590 0.129) 2.353 21.637 ( -1.081 -1.649 -0.249) 1.988 22.551 ( 1.575 -2.742 1.005) 3.318 22.591 ( -0.036 1.095 0.315) 1.140 22.771 ( -1.407 -0.440 -0.168) 1.484 22.794 ( -0.955 -0.636 0.111) 1.153 29.272 ( 0.120 -1.100 0.135) 1.115 29.279 ( -0.041 -0.491 -0.178) 0.523 29.287 ( -0.323 -0.853 0.054) 0.914 29.303 ( 0.343 -1.123 -0.298) 1.212 32.906 ( 2.377 -5.475 -9.062) 10.851 32.948 ( 4.963 -0.551 -3.874) 6.320 33.075 ( 4.118 -5.250 0.795) 6.719 34.019 ( -12.256 -24.499 5.565) 27.953 35.935 ( -1.316 0.327 -1.078) 1.732 35.986 ( -1.196 0.501 0.539) 1.405 36.062 ( 3.199 -2.504 0.350) 4.078 36.407 ( 3.447 -10.734 0.237) 11.276 39.497 ( -1.239 3.202 -0.121) 3.436 39.644 ( 0.146 2.407 0.011) 2.412 39.741 ( 0.381 11.219 -0.121) 11.226 39.851 ( 1.192 11.885 1.905) 12.096 39.979 ( 3.955 10.921 2.676) 11.920 40.040 ( 5.999 10.772 -4.558) 13.145 40.910 ( -7.074 32.765 1.022) 33.536 42.543 ( -46.156 13.603 -4.305) 48.311 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 13.877 10.588 -4.613) 18.054 1.341 ( 7.710 15.302 -0.395) 17.139 1.535 ( 5.126 3.115 -4.646) 7.587 1.630 ( -2.528 -0.321 -2.262) 3.408 1.704 ( -7.495 2.477 3.254) 8.538 1.785 ( 0.908 6.900 3.287) 7.697 1.878 ( -3.833 4.726 -2.405) 6.542 2.012 ( -7.327 -1.995 5.398) 9.317 2.157 ( -0.658 4.725 2.692) 5.478 2.268 ( 3.117 4.172 0.877) 5.281 2.294 ( 3.915 7.601 3.746) 9.335 2.434 ( 10.225 -2.052 -1.921) 10.604 2.515 ( 14.253 15.606 -1.769) 21.209 2.628 ( 2.025 5.023 2.025) 5.782 2.772 ( 8.657 3.229 -3.742) 9.969 2.888 ( 8.047 -0.891 1.888) 8.313 2.987 ( 9.656 8.948 -3.042) 13.511 3.045 ( -1.746 -5.846 0.159) 6.104 3.297 ( 2.782 3.167 0.607) 4.259 3.328 ( -3.945 2.300 0.675) 4.616 3.443 ( -10.279 1.575 0.541) 10.413 3.480 ( -7.808 2.296 0.356) 8.146 3.626 ( -7.694 -6.856 -3.013) 10.737 3.707 ( -10.666 -2.325 1.604) 11.034 4.169 ( -2.430 3.148 1.334) 4.194 4.240 ( 1.809 -2.115 -0.186) 2.789 4.353 ( -0.325 -1.017 0.824) 1.349 4.391 ( -0.401 -2.660 -0.400) 2.720 4.533 ( -4.490 3.814 -3.524) 6.865 4.625 ( 0.059 0.883 -1.609) 1.836 4.661 ( -2.062 -2.467 6.403) 7.165 4.688 ( 3.307 -1.193 0.573) 3.562 4.748 ( -0.714 5.939 -2.161) 6.361 4.851 ( -1.392 -1.015 -0.122) 1.727 5.084 ( 2.068 -2.708 0.758) 3.490 5.104 ( 3.400 -4.179 -2.059) 5.767 5.293 ( 3.591 3.514 1.650) 5.288 5.318 ( 3.555 3.112 -0.390) 4.741 5.538 ( -2.683 3.811 -0.365) 4.675 5.552 ( -3.582 -0.698 1.687) 4.020 5.841 ( -0.332 6.466 2.115) 6.811 5.852 ( 2.144 9.356 0.340) 9.604 5.926 ( 1.545 5.017 -5.480) 7.588 5.996 ( 2.082 0.064 1.112) 2.361 6.031 ( -3.470 3.633 -1.970) 5.396 6.107 ( 1.242 -4.288 -0.536) 4.496 6.182 ( -6.056 4.006 1.580) 7.431 6.255 ( -2.052 1.498 -0.781) 2.658 6.393 ( 1.713 3.015 0.551) 3.511 6.497 ( -0.779 2.884 1.966) 3.576 6.649 ( 0.815 4.354 -0.178) 4.433 6.795 ( 5.232 6.364 0.315) 8.244 6.925 ( 5.213 2.083 0.313) 5.622 7.036 ( 1.067 5.114 0.162) 5.226 7.329 ( 2.683 -0.539 -6.028) 6.621 7.495 ( -2.064 -3.795 4.297) 6.094 7.688 ( -2.001 -2.995 2.886) 4.616 7.990 ( 5.456 -0.875 -4.359) 7.038 8.354 ( -0.878 -13.074 -1.636) 13.205 8.444 ( -6.763 2.464 5.118) 8.832 12.087 ( 0.138 -2.620 -0.880) 2.767 12.152 ( -2.603 -0.071 1.712) 3.116 12.528 ( -0.097 -3.525 1.151) 3.709 12.637 ( -0.312 -5.991 1.731) 6.244 12.790 ( 0.138 1.796 -0.485) 1.866 12.840 ( -1.083 1.342 -1.128) 2.060 12.954 ( 1.501 0.587 0.090) 1.614 13.183 ( 2.964 -1.111 -1.229) 3.396 17.524 ( 1.974 -0.886 -2.383) 3.218 17.574 ( 1.074 0.608 1.780) 2.166 17.604 ( -1.516 -0.913 2.471) 3.039 17.632 ( 0.217 -1.152 -3.946) 4.117 18.380 ( 0.285 1.308 0.934) 1.632 18.395 ( 0.315 0.773 -0.736) 1.113 18.468 ( 0.892 1.147 -0.971) 1.748 18.517 ( -1.082 -0.556 0.259) 1.244 20.851 ( -0.554 -0.473 -0.458) 0.860 20.917 ( 0.766 -3.042 1.014) 3.297 21.137 ( -0.196 -0.313 -0.177) 0.409 21.197 ( 0.526 -2.294 0.433) 2.393 21.385 ( 4.247 -1.378 0.642) 4.511 21.433 ( 3.955 -1.855 -0.543) 4.402 21.576 ( -2.696 -1.871 -0.282) 3.294 21.604 ( -2.170 -1.922 0.010) 2.899 22.592 ( 2.310 -1.302 1.192) 2.907 22.606 ( 1.441 0.436 -0.134) 1.512 22.731 ( -2.491 -0.228 0.002) 2.502 22.770 ( -1.369 -1.242 -0.095) 1.851 29.274 ( 0.131 -0.875 0.212) 0.910 29.277 ( -0.089 -0.599 -0.129) 0.619 29.283 ( -0.133 -0.947 -0.152) 0.968 29.308 ( 0.165 -1.209 -0.193) 1.236 32.938 ( 1.368 -7.085 -5.177) 8.880 33.069 ( 7.033 -2.654 -4.822) 8.931 33.165 ( 3.976 -9.371 -2.294) 10.435 33.745 ( -13.935 -16.556 7.007) 22.746 35.922 ( -0.037 -0.017 -0.408) 0.410 35.963 ( -1.059 0.628 0.315) 1.271 36.121 ( 2.383 -3.517 -0.123) 4.250 36.465 ( 1.951 -11.409 0.386) 11.581 39.495 ( 1.095 5.537 -0.436) 5.661 39.653 ( 0.428 1.701 0.501) 1.824 39.705 ( -2.680 15.671 0.333) 15.902 39.826 ( -3.161 12.689 0.854) 13.105 40.120 ( 10.571 11.750 -0.222) 15.807 40.268 ( 14.207 14.221 -1.522) 20.160 40.738 ( -8.260 26.895 1.484) 28.174 41.605 ( -43.076 28.170 -3.264) 51.573 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 7.837 0.000) 7.837 1.431 ( 0.000 3.263 -0.000) 3.263 1.514 ( -0.000 6.126 0.000) 6.126 1.605 ( -0.000 10.297 0.000) 10.297 1.612 ( 0.000 0.625 -0.000) 0.625 1.784 ( 0.000 -0.496 -0.000) 0.496 1.834 ( -0.000 9.609 0.000) 9.609 1.926 ( -0.000 -0.257 0.000) 0.257 2.151 ( 0.000 9.594 0.000) 9.594 2.289 ( -0.000 4.580 -0.000) 4.580 2.339 ( -0.000 5.713 0.000) 5.713 2.582 ( 0.000 5.316 0.000) 5.316 2.634 ( -0.000 -0.252 -0.000) 0.252 2.718 ( -0.000 4.754 -0.000) 4.754 2.872 ( -0.000 4.782 0.000) 4.782 2.988 ( 0.000 -5.115 0.000) 5.115 3.045 ( -0.000 7.305 -0.000) 7.305 3.142 ( -0.000 3.441 0.000) 3.441 3.240 ( 0.000 4.624 -0.000) 4.624 3.323 ( 0.000 2.434 -0.000) 2.434 3.330 ( -0.000 -6.497 0.000) 6.497 3.365 ( 0.000 -0.198 -0.000) 0.198 3.493 ( 0.000 -0.294 0.000) 0.294 3.581 ( 0.000 -0.707 -0.000) 0.707 4.136 ( 0.000 4.757 -0.000) 4.757 4.279 ( 0.000 -4.770 0.000) 4.770 4.360 ( -0.000 0.803 -0.000) 0.803 4.374 ( 0.000 -3.220 0.000) 3.220 4.469 ( 0.000 5.991 -0.000) 5.991 4.612 ( 0.000 0.556 0.000) 0.556 4.656 ( 0.000 -0.808 -0.000) 0.808 4.738 ( -0.000 5.238 -0.000) 5.238 4.743 ( 0.000 3.684 0.000) 3.684 4.823 ( 0.000 -6.206 -0.000) 6.206 5.105 ( 0.000 -0.813 0.000) 0.813 5.136 ( -0.000 -5.644 -0.000) 5.644 5.329 ( 0.000 5.368 -0.000) 5.368 5.373 ( 0.000 0.728 0.000) 0.728 5.491 ( 0.000 1.574 0.000) 1.574 5.520 ( 0.000 3.790 -0.000) 3.790 5.836 ( 0.000 7.253 -0.000) 7.253 5.877 ( -0.000 6.078 -0.000) 6.078 5.938 ( 0.000 9.937 0.000) 9.937 5.985 ( 0.000 6.681 -0.000) 6.681 6.055 ( 0.000 3.577 0.000) 3.577 6.103 ( -0.000 -1.007 -0.000) 1.007 6.166 ( 0.000 -7.323 -0.000) 7.323 6.167 ( -0.000 6.172 0.000) 6.172 6.422 ( 0.000 2.121 0.000) 2.121 6.481 ( 0.000 2.752 -0.000) 2.752 6.670 ( 0.000 6.535 -0.000) 6.535 6.823 ( -0.000 -1.429 -0.000) 1.429 6.996 ( 0.000 8.907 0.000) 8.907 7.067 ( -0.000 1.357 0.000) 1.357 7.380 ( 0.000 8.017 -0.000) 8.017 7.441 ( 0.000 -9.623 -0.000) 9.623 7.626 ( -0.000 -3.923 0.000) 3.923 8.150 ( 0.000 -10.974 -0.000) 10.974 8.293 ( -0.000 5.332 0.000) 5.332 8.361 ( 0.000 -12.749 -0.000) 12.749 12.095 ( -0.000 -2.221 0.000) 2.221 12.118 ( 0.000 -0.999 -0.000) 0.999 12.528 ( 0.000 -3.599 -0.000) 3.599 12.631 ( 0.000 -5.830 -0.000) 5.830 12.795 ( 0.000 2.552 0.000) 2.552 12.829 ( 0.000 0.294 0.000) 0.294 12.970 ( 0.000 1.759 0.000) 1.759 13.212 ( 0.000 -1.034 -0.000) 1.034 17.556 ( 0.000 -0.596 -0.000) 0.596 17.571 ( -0.000 -0.801 0.000) 0.801 17.593 ( 0.000 0.258 -0.000) 0.258 17.631 ( 0.000 -1.196 -0.000) 1.196 18.384 ( 0.000 0.886 -0.000) 0.886 18.397 ( 0.000 1.200 0.000) 1.200 18.489 ( 0.000 0.960 -0.000) 0.960 18.493 ( -0.000 -0.339 0.000) 0.339 20.846 ( 0.000 -0.385 -0.000) 0.385 20.925 ( 0.000 -3.043 0.000) 3.043 21.136 ( -0.000 -0.274 -0.000) 0.274 21.202 ( 0.000 -2.260 0.000) 2.260 21.451 ( -0.000 -2.376 -0.000) 2.376 21.474 ( 0.000 -1.891 0.000) 1.891 21.540 ( 0.000 -2.147 -0.000) 2.147 21.569 ( -0.000 -2.027 0.000) 2.027 22.626 ( 0.000 -0.760 0.000) 0.760 22.629 ( -0.000 0.162 -0.000) 0.162 22.693 ( 0.000 -0.114 -0.000) 0.114 22.752 ( 0.000 -1.642 0.000) 1.642 29.276 ( 0.000 -0.698 -0.000) 0.698 29.276 ( -0.000 -0.689 0.000) 0.689 29.281 ( 0.000 -1.022 0.000) 1.022 29.310 ( 0.000 -1.231 0.000) 1.231 32.950 ( -0.000 -7.874 -0.000) 7.874 33.164 ( -0.000 -4.111 0.000) 4.111 33.207 ( -0.000 -10.978 0.000) 10.978 33.576 ( 0.000 -12.016 -0.000) 12.016 35.924 ( -0.000 -0.378 0.000) 0.378 35.950 ( -0.000 0.865 0.000) 0.865 36.146 ( -0.000 -3.889 -0.000) 3.889 36.483 ( -0.000 -11.443 0.000) 11.443 39.518 ( 0.000 8.177 -0.000) 8.177 39.634 ( -0.000 6.996 0.000) 6.996 39.696 ( 0.000 10.895 -0.000) 10.895 39.781 ( -0.000 9.310 -0.000) 9.310 40.317 ( 0.000 17.527 0.000) 17.527 40.363 ( -0.000 18.186 0.000) 18.186 40.786 ( 0.000 26.660 -0.000) 26.660 40.998 ( -0.000 22.436 -0.000) 22.436 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 16.535 0.000) 16.535 1.496 ( 0.000 14.496 0.000) 14.496 1.546 ( 0.000 -3.224 0.000) 3.224 1.759 ( 0.000 4.123 0.000) 4.123 1.786 ( 0.000 0.699 0.000) 0.699 1.864 ( 0.000 8.830 0.000) 8.830 1.922 ( 0.000 -4.553 0.000) 4.553 1.942 ( 0.000 -0.794 0.000) 0.794 1.994 ( 0.000 -3.922 0.000) 3.922 2.121 ( 0.000 -2.267 0.000) 2.267 2.189 ( 0.000 -2.280 0.000) 2.280 2.473 ( 0.000 0.120 0.000) 0.120 2.549 ( 0.000 5.262 0.000) 5.262 2.574 ( 0.000 -2.147 0.000) 2.147 2.717 ( 0.000 1.553 0.000) 1.553 2.872 ( 0.000 17.351 0.000) 17.351 2.946 ( 0.000 0.522 0.000) 0.522 2.988 ( 0.000 0.848 0.000) 0.848 3.370 ( 0.000 13.721 0.000) 13.721 3.537 ( 0.000 0.522 0.000) 0.522 3.557 ( 0.000 -6.548 0.000) 6.548 3.685 ( 0.000 3.184 0.000) 3.184 3.753 ( 0.000 -4.350 0.000) 4.350 3.787 ( 0.000 -4.648 0.000) 4.648 4.196 ( 0.000 0.211 0.000) 0.211 4.245 ( 0.000 1.345 0.000) 1.345 4.284 ( 0.000 -3.580 0.000) 3.580 4.355 ( 0.000 0.860 0.000) 0.860 4.530 ( 0.000 0.225 0.000) 0.225 4.597 ( 0.000 -0.096 0.000) 0.096 4.673 ( 0.000 -2.382 0.000) 2.382 4.799 ( 0.000 -0.262 0.000) 0.262 4.807 ( 0.000 0.682 0.000) 0.682 4.903 ( 0.000 -3.950 0.000) 3.950 4.953 ( 0.000 4.106 0.000) 4.106 4.972 ( 0.000 1.386 0.000) 1.386 5.247 ( 0.000 4.992 0.000) 4.992 5.319 ( 0.000 2.406 0.000) 2.406 5.620 ( 0.000 1.595 0.000) 1.595 5.678 ( 0.000 0.149 0.000) 0.149 5.794 ( 0.000 -2.328 0.000) 2.328 5.813 ( 0.000 -3.477 0.000) 3.477 5.944 ( 0.000 2.257 0.000) 2.257 6.073 ( 0.000 -2.413 0.000) 2.413 6.097 ( 0.000 7.644 0.000) 7.644 6.110 ( 0.000 1.276 0.000) 1.276 6.189 ( 0.000 4.513 0.000) 4.513 6.295 ( 0.000 -2.115 0.000) 2.115 6.517 ( 0.000 4.458 0.000) 4.458 6.648 ( 0.000 4.378 0.000) 4.378 6.720 ( 0.000 6.588 0.000) 6.588 6.760 ( 0.000 -0.400 0.000) 0.400 6.822 ( 0.000 1.282 0.000) 1.282 7.050 ( 0.000 -0.770 0.000) 0.770 7.211 ( 0.000 5.439 0.000) 5.439 7.501 ( 0.000 10.647 0.000) 10.647 7.713 ( 0.000 -9.061 0.000) 9.061 8.055 ( 0.000 -6.858 0.000) 6.858 8.397 ( 0.000 5.550 0.000) 5.550 8.589 ( 0.000 0.939 0.000) 0.939 12.091 ( 0.000 1.607 0.000) 1.607 12.248 ( 0.000 1.374 0.000) 1.374 12.472 ( 0.000 -7.095 0.000) 7.095 12.484 ( 0.000 -4.121 0.000) 4.121 12.815 ( 0.000 -1.606 0.000) 1.606 12.849 ( 0.000 1.723 0.000) 1.723 12.991 ( 0.000 0.613 0.000) 0.613 13.004 ( 0.000 0.458 0.000) 0.458 17.457 ( 0.000 0.589 0.000) 0.589 17.552 ( 0.000 -0.088 0.000) 0.088 17.597 ( 0.000 0.563 0.000) 0.563 17.639 ( 0.000 -1.356 0.000) 1.356 18.390 ( 0.000 0.936 0.000) 0.936 18.421 ( 0.000 2.127 0.000) 2.127 18.481 ( 0.000 0.954 0.000) 0.954 18.506 ( 0.000 -1.545 0.000) 1.545 20.858 ( 0.000 -0.216 0.000) 0.216 20.870 ( 0.000 -0.586 0.000) 0.586 21.144 ( 0.000 -0.439 0.000) 0.439 21.152 ( 0.000 -0.764 0.000) 0.764 21.292 ( 0.000 0.024 0.000) 0.024 21.297 ( 0.000 -0.277 0.000) 0.277 21.613 ( 0.000 -1.213 0.000) 1.213 21.616 ( 0.000 -1.362 0.000) 1.362 22.511 ( 0.000 0.907 0.000) 0.907 22.617 ( 0.000 1.146 0.000) 1.146 22.760 ( 0.000 -1.862 0.000) 1.862 22.787 ( 0.000 -1.300 0.000) 1.300 29.253 ( 0.000 -0.458 0.000) 0.458 29.270 ( 0.000 -0.422 0.000) 0.422 29.275 ( 0.000 -0.862 0.000) 0.862 29.278 ( 0.000 -0.809 0.000) 0.809 32.814 ( 0.000 -1.393 0.000) 1.393 32.929 ( 0.000 1.843 0.000) 1.843 32.963 ( 0.000 -3.486 0.000) 3.486 33.594 ( 0.000 -24.836 0.000) 24.836 35.963 ( 0.000 -0.332 0.000) 0.332 35.982 ( 0.000 -1.405 0.000) 1.405 36.018 ( 0.000 1.325 0.000) 1.325 36.206 ( 0.000 -5.977 0.000) 5.977 39.579 ( 0.000 2.782 0.000) 2.782 39.676 ( 0.000 0.230 0.000) 0.230 39.792 ( 0.000 3.221 0.000) 3.221 39.890 ( 0.000 0.761 0.000) 0.761 40.209 ( 0.000 15.189 0.000) 15.189 40.360 ( 0.000 13.373 0.000) 13.373 41.662 ( 0.000 31.283 0.000) 31.283 42.909 ( 0.000 -11.164 0.000) 11.164 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 8.868 14.199 1.507) 16.808 1.537 ( 4.374 13.193 -2.703) 14.159 1.588 ( 3.754 2.637 0.326) 4.599 1.727 ( -5.420 3.459 3.392) 7.270 1.755 ( 0.101 0.768 -1.053) 1.307 1.884 ( 2.807 -2.063 -6.752) 7.598 1.896 ( 2.038 3.854 3.710) 5.725 2.077 ( -1.429 -3.607 2.121) 4.421 2.097 ( 8.442 2.614 4.238) 9.801 2.149 ( 8.406 -3.918 3.275) 9.836 2.214 ( 3.040 -0.035 -3.525) 4.655 2.429 ( -0.158 3.235 2.027) 3.820 2.604 ( 1.970 3.763 1.066) 4.379 2.610 ( 4.680 -2.342 0.998) 5.328 2.684 ( -0.797 6.658 3.740) 7.678 2.925 ( 3.138 5.985 -4.645) 8.200 2.952 ( 0.362 0.215 -0.345) 0.544 3.020 ( 3.933 4.498 -4.822) 7.678 3.383 ( 1.283 12.360 -0.953) 12.463 3.463 ( -7.071 -4.213 -2.259) 8.535 3.540 ( -2.314 -3.438 1.323) 4.351 3.637 ( -4.712 3.750 -0.074) 6.022 3.675 ( -6.862 -4.121 0.213) 8.007 3.763 ( -2.928 -4.644 -0.289) 5.498 4.177 ( -1.116 0.254 -0.514) 1.255 4.258 ( 0.464 0.957 1.589) 1.912 4.284 ( 0.132 -3.099 -0.356) 3.122 4.369 ( 0.576 -1.073 2.040) 2.376 4.541 ( 1.686 -0.462 -3.342) 3.772 4.613 ( 1.179 0.053 1.610) 1.996 4.661 ( -1.937 -1.703 2.616) 3.674 4.731 ( -3.111 2.805 -2.448) 4.852 4.833 ( 0.257 0.036 1.523) 1.545 4.882 ( -1.575 -1.383 0.591) 2.178 4.986 ( 2.474 1.302 -1.983) 3.427 4.999 ( 2.508 -0.039 1.247) 2.801 5.276 ( 2.636 3.942 0.106) 4.743 5.342 ( 2.087 2.540 1.365) 3.559 5.607 ( -1.270 1.968 -0.604) 2.419 5.647 ( -2.199 1.671 -0.143) 2.765 5.822 ( 2.857 -2.815 -2.650) 4.807 5.849 ( 3.021 -3.121 0.934) 4.443 5.949 ( 0.956 -0.423 3.389) 3.546 6.036 ( -1.769 4.926 0.793) 5.294 6.111 ( 1.520 2.236 -1.513) 3.098 6.121 ( -2.568 2.398 -0.441) 3.541 6.198 ( 2.938 2.813 -0.680) 4.124 6.326 ( -0.412 -1.252 0.269) 1.345 6.495 ( -1.702 4.350 -0.917) 4.760 6.608 ( -2.877 3.037 3.247) 5.296 6.712 ( 1.249 6.722 -0.408) 6.849 6.764 ( 3.951 3.010 2.164) 5.418 6.916 ( 2.803 0.513 -3.149) 4.247 7.102 ( 2.927 2.080 -1.169) 3.776 7.271 ( 7.771 1.091 -4.082) 8.845 7.491 ( -0.444 9.167 0.963) 9.228 7.640 ( -5.889 -6.686 0.997) 8.965 8.023 ( -2.897 -6.231 0.369) 6.882 8.333 ( -5.996 4.321 0.037) 7.391 8.571 ( -2.401 0.774 0.921) 2.685 12.081 ( -0.647 1.581 -0.197) 1.720 12.230 ( -2.005 2.028 1.786) 3.365 12.443 ( -1.521 -6.196 2.057) 6.703 12.499 ( 0.364 -6.265 1.835) 6.538 12.809 ( 0.267 0.662 -2.165) 2.280 12.894 ( 3.072 -0.241 0.029) 3.082 12.931 ( -2.399 2.536 -0.306) 3.504 13.078 ( 3.939 -1.516 -2.571) 4.943 17.474 ( 1.545 0.136 -1.428) 2.108 17.559 ( 0.658 -0.321 0.943) 1.193 17.599 ( 0.129 0.162 -0.778) 0.805 17.627 ( -1.036 -1.095 0.653) 1.643 18.394 ( 0.354 0.995 -0.106) 1.061 18.424 ( 0.191 2.142 0.200) 2.160 18.481 ( 0.082 0.760 -0.588) 0.964 18.506 ( -0.013 -1.330 0.120) 1.335 20.854 ( -0.454 -0.343 0.017) 0.569 20.868 ( 0.008 -0.813 0.185) 0.834 21.137 ( -0.411 -0.305 -0.112) 0.524 21.155 ( 0.175 -1.024 0.170) 1.052 21.314 ( 2.227 0.072 -0.050) 2.229 21.333 ( 3.080 -0.682 -0.114) 3.156 21.593 ( -1.770 -1.131 0.038) 2.100 21.605 ( -1.241 -1.437 -0.076) 1.900 22.531 ( 1.817 0.725 0.481) 2.014 22.617 ( 0.166 1.232 0.200) 1.259 22.749 ( -1.046 -1.574 -0.181) 1.899 22.776 ( -1.073 -1.172 0.092) 1.592 29.255 ( 0.182 -0.481 0.061) 0.518 29.269 ( -0.168 -0.504 0.157) 0.554 29.271 ( -0.176 -0.663 -0.060) 0.689 29.283 ( 0.238 -0.895 -0.226) 0.954 32.824 ( 0.850 -2.200 -4.053) 4.690 32.953 ( 2.418 0.588 -1.501) 2.906 32.979 ( 1.506 -3.987 1.247) 4.441 33.536 ( -5.518 -21.856 3.125) 22.757 35.942 ( -1.053 0.293 -0.840) 1.379 36.004 ( -0.841 1.097 0.391) 1.437 36.014 ( 1.757 -1.918 0.709) 2.696 36.230 ( 1.965 -6.938 -0.137) 7.213 39.560 ( -0.126 2.956 -0.017) 2.959 39.657 ( -0.184 -0.070 0.458) 0.498 39.920 ( 10.071 6.474 -0.960) 12.011 40.026 ( 9.165 4.839 1.307) 10.446 40.203 ( 2.306 12.069 0.552) 12.299 40.310 ( -3.776 12.210 -1.387) 12.856 41.546 ( -11.268 29.278 0.448) 31.375 42.610 ( -27.875 -4.234 -1.304) 28.225 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 8.752 9.648 -1.912) 13.166 1.626 ( -0.645 5.376 -0.460) 5.434 1.650 ( 2.144 12.171 1.755) 12.483 1.678 ( 3.318 5.461 -1.153) 6.494 1.758 ( 0.809 3.920 0.061) 4.003 1.883 ( -3.237 2.378 4.674) 6.163 1.927 ( -0.889 1.100 0.850) 1.650 2.040 ( -0.959 4.424 -1.038) 4.644 2.178 ( 4.642 -4.952 2.680) 7.297 2.326 ( 7.512 4.807 4.769) 10.114 2.393 ( 8.631 2.464 -1.307) 9.071 2.487 ( 4.884 5.606 0.610) 7.460 2.618 ( 2.633 2.334 -4.529) 5.735 2.714 ( 2.819 -1.320 2.157) 3.787 2.777 ( 8.953 -2.968 2.126) 9.669 2.961 ( 2.776 -2.536 1.424) 4.021 2.981 ( 1.997 7.034 -1.730) 7.514 3.111 ( 4.359 2.751 -6.406) 8.222 3.274 ( -10.100 -7.777 -5.083) 13.723 3.418 ( 0.524 6.518 -1.374) 6.682 3.452 ( -5.914 -2.779 4.103) 7.716 3.506 ( -7.314 3.700 1.379) 8.312 3.533 ( -6.108 -2.417 -2.019) 6.873 3.667 ( -6.287 -0.967 0.953) 6.432 4.169 ( 0.310 -1.600 0.355) 1.668 4.246 ( -1.432 1.845 1.012) 2.546 4.303 ( 1.409 -2.259 0.053) 2.663 4.357 ( -1.616 -2.367 1.243) 3.124 4.589 ( 1.489 -1.684 -0.228) 2.259 4.607 ( -0.711 -2.421 0.820) 2.653 4.647 ( 1.142 2.090 -0.711) 2.485 4.682 ( -1.866 4.076 -1.190) 4.638 4.826 ( -0.916 0.874 -0.843) 1.521 4.863 ( -0.250 1.121 2.081) 2.377 5.019 ( 1.009 -1.860 -1.873) 2.826 5.058 ( 2.495 -1.225 1.050) 2.971 5.339 ( 3.412 2.180 0.654) 4.101 5.391 ( 2.233 2.392 2.021) 3.847 5.576 ( -1.567 3.792 -0.676) 4.158 5.614 ( -1.142 3.443 -1.008) 3.764 5.879 ( 2.052 -1.290 -0.179) 2.430 5.923 ( 4.947 -4.729 -2.708) 7.360 5.996 ( 3.137 0.198 1.843) 3.644 6.024 ( 0.181 3.300 1.470) 3.617 6.084 ( -1.275 0.756 -0.610) 1.603 6.105 ( 0.036 7.932 -1.227) 8.026 6.242 ( -1.906 -1.096 0.876) 2.366 6.265 ( -3.319 3.018 -0.530) 4.517 6.478 ( 0.197 3.025 -0.682) 3.107 6.532 ( -3.957 0.501 3.673) 5.422 6.734 ( 1.831 5.801 -1.048) 6.173 6.882 ( -3.807 1.544 -0.037) 4.108 6.943 ( 9.285 0.901 2.166) 9.577 7.180 ( 4.029 4.837 -1.935) 6.586 7.365 ( 2.253 3.985 -4.868) 6.682 7.452 ( -4.876 1.073 4.876) 6.979 7.643 ( 5.268 -1.466 -2.232) 5.906 7.982 ( 0.941 -3.051 -2.265) 3.914 8.195 ( -6.393 0.166 0.089) 6.396 8.478 ( -7.157 0.073 2.470) 7.572 12.077 ( 0.476 1.708 -0.568) 1.862 12.174 ( -3.347 2.347 1.996) 4.549 12.428 ( -0.268 -6.191 1.878) 6.475 12.500 ( -0.313 -7.170 1.866) 7.416 12.824 ( 1.142 1.802 -1.195) 2.446 12.880 ( -1.771 1.981 -1.443) 3.024 12.964 ( 2.627 0.626 -0.091) 2.702 13.141 ( 2.332 -3.023 -1.882) 4.257 17.508 ( 1.879 -0.490 -1.888) 2.709 17.573 ( -0.059 -1.507 1.870) 2.402 17.589 ( -0.634 0.260 1.389) 1.548 17.615 ( -0.155 -0.648 -1.877) 1.991 18.403 ( 0.462 1.214 -0.126) 1.305 18.427 ( 0.099 2.011 0.271) 2.031 18.483 ( 0.148 0.114 -0.781) 0.803 18.505 ( -0.169 -0.553 0.280) 0.643 20.844 ( -0.382 -0.199 -0.227) 0.487 20.872 ( 0.256 -1.508 0.389) 1.578 21.132 ( -0.138 -0.209 -0.103) 0.271 21.159 ( 0.200 -1.464 0.175) 1.488 21.372 ( 3.335 -0.164 0.043) 3.340 21.401 ( 3.413 -1.214 -0.186) 3.627 21.547 ( -2.688 -0.960 -0.098) 2.856 21.568 ( -2.322 -1.518 0.044) 2.775 22.578 ( 2.651 0.271 0.664) 2.746 22.627 ( 0.736 0.943 0.048) 1.197 22.720 ( -1.700 -0.706 -0.269) 1.861 22.748 ( -1.590 -0.905 0.084) 1.832 29.259 ( 0.210 -0.550 0.132) 0.603 29.265 ( -0.194 -0.612 0.094) 0.649 29.269 ( -0.071 -0.430 -0.160) 0.464 29.286 ( 0.123 -0.936 -0.133) 0.953 32.835 ( 0.466 -2.987 -3.150) 4.366 32.996 ( 1.477 -6.197 0.501) 6.391 33.034 ( 3.903 -1.855 -2.398) 4.942 33.409 ( -6.636 -15.490 3.975) 17.314 35.927 ( -0.365 0.538 -0.458) 0.795 35.987 ( -0.683 1.870 0.303) 2.014 36.049 ( 1.454 -3.452 0.364) 3.763 36.264 ( 1.243 -8.307 -0.066) 8.400 39.600 ( 3.989 4.644 -0.249) 6.127 39.689 ( 2.887 1.552 0.591) 3.331 39.983 ( -3.811 11.828 -0.606) 12.442 40.069 ( -5.078 9.992 1.036) 11.256 40.352 ( 14.140 10.566 0.351) 17.655 40.495 ( 21.003 7.693 -1.256) 22.403 41.257 ( -15.919 23.649 0.712) 28.517 41.933 ( -37.094 6.110 -1.360) 37.619 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 4.253 -0.000) 4.253 1.598 ( 0.000 8.678 -0.000) 8.678 1.655 ( -0.000 8.140 0.000) 8.140 1.691 ( 0.000 3.773 0.000) 3.773 1.810 ( 0.000 6.464 -0.000) 6.464 1.838 ( -0.000 11.438 0.000) 11.438 1.899 ( 0.000 -0.144 -0.000) 0.144 2.042 ( -0.000 8.600 -0.000) 8.600 2.242 ( -0.000 -3.027 -0.000) 3.027 2.401 ( -0.000 9.359 0.000) 9.359 2.433 ( -0.000 2.610 0.000) 2.610 2.642 ( -0.000 -0.205 0.000) 0.205 2.644 ( -0.000 0.690 0.000) 0.690 2.725 ( 0.000 -0.314 -0.000) 0.314 2.893 ( -0.000 -1.422 0.000) 1.422 2.974 ( -0.000 2.324 0.000) 2.324 3.061 ( -0.000 -2.002 -0.000) 2.002 3.113 ( 0.000 -10.581 0.000) 10.581 3.188 ( -0.000 -1.117 0.000) 1.117 3.335 ( 0.000 -2.547 -0.000) 2.547 3.382 ( 0.000 0.583 0.000) 0.583 3.432 ( -0.000 3.166 -0.000) 3.166 3.526 ( -0.000 3.374 0.000) 3.374 3.560 ( 0.000 2.955 -0.000) 2.955 4.177 ( 0.000 -3.519 0.000) 3.519 4.226 ( 0.000 3.307 -0.000) 3.307 4.321 ( 0.000 -1.997 0.000) 1.997 4.336 ( 0.000 -2.955 -0.000) 2.955 4.579 ( 0.000 -2.123 0.000) 2.123 4.615 ( 0.000 4.463 -0.000) 4.463 4.662 ( -0.000 1.086 0.000) 1.086 4.675 ( 0.000 -1.869 -0.000) 1.869 4.809 ( 0.000 2.260 -0.000) 2.260 4.865 ( 0.000 2.574 -0.000) 2.574 5.027 ( -0.000 -3.533 0.000) 3.533 5.083 ( 0.000 -1.323 0.000) 1.323 5.385 ( -0.000 0.894 -0.000) 0.894 5.413 ( 0.000 2.156 0.000) 2.156 5.557 ( 0.000 5.580 0.000) 5.580 5.600 ( 0.000 4.077 -0.000) 4.077 5.900 ( 0.000 0.955 0.000) 0.955 5.988 ( 0.000 -6.637 0.000) 6.637 6.013 ( 0.000 4.151 -0.000) 4.151 6.071 ( 0.000 -1.682 -0.000) 1.682 6.073 ( 0.000 2.256 -0.000) 2.256 6.144 ( 0.000 6.902 0.000) 6.902 6.148 ( -0.000 4.566 -0.000) 4.566 6.213 ( 0.000 -0.424 0.000) 0.424 6.488 ( -0.000 3.093 0.000) 3.093 6.492 ( 0.000 -1.262 -0.000) 1.262 6.787 ( 0.000 4.979 -0.000) 4.979 6.799 ( -0.000 1.070 0.000) 1.070 7.080 ( 0.000 -1.503 0.000) 1.503 7.170 ( -0.000 5.697 -0.000) 5.697 7.388 ( 0.000 4.300 0.000) 4.300 7.452 ( 0.000 -0.450 -0.000) 0.450 7.651 ( -0.000 5.059 0.000) 5.059 8.021 ( 0.000 -0.877 -0.000) 0.877 8.165 ( -0.000 -6.216 -0.000) 6.216 8.353 ( -0.000 0.542 0.000) 0.542 12.094 ( -0.000 1.970 0.000) 1.970 12.127 ( 0.000 2.133 -0.000) 2.133 12.427 ( 0.000 -6.052 -0.000) 6.052 12.496 ( 0.000 -7.336 0.000) 7.336 12.846 ( -0.000 2.608 -0.000) 2.608 12.852 ( 0.000 1.560 0.000) 1.560 12.991 ( 0.000 0.607 0.000) 0.607 13.164 ( 0.000 -3.582 -0.000) 3.582 17.540 ( 0.000 -0.845 -0.000) 0.845 17.550 ( -0.000 -1.179 0.000) 1.179 17.595 ( -0.000 -0.014 -0.000) 0.014 17.610 ( 0.000 -0.825 0.000) 0.825 18.408 ( 0.000 1.443 -0.000) 1.443 18.428 ( 0.000 1.800 0.000) 1.800 18.485 ( 0.000 -0.560 -0.000) 0.560 18.502 ( -0.000 0.224 0.000) 0.224 20.840 ( 0.000 -0.113 -0.000) 0.113 20.875 ( 0.000 -1.780 0.000) 1.780 21.131 ( 0.000 -0.196 -0.000) 0.196 21.161 ( 0.000 -1.654 0.000) 1.654 21.422 ( -0.000 -0.650 -0.000) 0.650 21.442 ( 0.000 -1.239 0.000) 1.239 21.510 ( 0.000 -0.844 -0.000) 0.844 21.533 ( -0.000 -1.503 0.000) 1.503 22.618 ( 0.000 -0.028 0.000) 0.028 22.632 ( -0.000 0.052 0.000) 0.052 22.698 ( 0.000 0.500 0.000) 0.500 22.727 ( 0.000 -0.829 -0.000) 0.829 29.261 ( -0.000 -0.649 -0.000) 0.649 29.263 ( 0.000 -0.571 -0.000) 0.571 29.268 ( 0.000 -0.351 0.000) 0.351 29.287 ( 0.000 -0.947 0.000) 0.947 32.838 ( 0.000 -3.242 -0.000) 3.242 33.012 ( -0.000 -8.103 0.000) 8.103 33.086 ( -0.000 -3.177 0.000) 3.177 33.329 ( 0.000 -11.503 -0.000) 11.503 35.924 ( 0.000 0.460 0.000) 0.460 35.980 ( 0.000 2.101 0.000) 2.101 36.065 ( 0.000 -3.959 -0.000) 3.959 36.276 ( 0.000 -8.780 0.000) 8.780 39.671 ( 0.000 6.480 -0.000) 6.480 39.721 ( -0.000 3.618 0.000) 3.618 39.944 ( 0.000 10.437 -0.000) 10.437 39.964 ( -0.000 8.136 0.000) 8.136 40.655 ( 0.000 14.834 0.000) 14.834 40.697 ( -0.000 14.018 0.000) 14.018 41.194 ( -0.000 13.827 0.000) 13.827 41.320 ( 0.000 9.641 -0.000) 9.641 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 11.319 0.000) 11.319 1.503 ( 0.000 -1.499 0.000) 1.499 1.639 ( 0.000 1.087 0.000) 1.087 1.722 ( 0.000 -6.806 0.000) 6.806 1.837 ( 0.000 5.432 0.000) 5.432 1.867 ( 0.000 -0.837 0.000) 0.837 1.869 ( 0.000 -1.740 0.000) 1.740 1.943 ( 0.000 -3.920 0.000) 3.920 2.061 ( 0.000 7.313 0.000) 7.313 2.150 ( 0.000 -2.877 0.000) 2.877 2.153 ( 0.000 7.947 0.000) 7.947 2.376 ( 0.000 -10.510 0.000) 10.510 2.577 ( 0.000 4.409 0.000) 4.409 2.644 ( 0.000 0.804 0.000) 0.804 2.764 ( 0.000 3.798 0.000) 3.798 2.868 ( 0.000 -5.227 0.000) 5.227 2.975 ( 0.000 4.025 0.000) 4.025 3.075 ( 0.000 -2.526 0.000) 2.526 3.505 ( 0.000 3.217 0.000) 3.217 3.552 ( 0.000 1.199 0.000) 1.199 3.581 ( 0.000 0.547 0.000) 0.547 3.600 ( 0.000 -5.615 0.000) 5.615 3.722 ( 0.000 4.070 0.000) 4.070 3.785 ( 0.000 -0.762 0.000) 0.762 4.229 ( 0.000 1.293 0.000) 1.293 4.248 ( 0.000 -0.781 0.000) 0.781 4.274 ( 0.000 3.482 0.000) 3.482 4.349 ( 0.000 -2.180 0.000) 2.180 4.594 ( 0.000 5.384 0.000) 5.384 4.609 ( 0.000 1.134 0.000) 1.134 4.642 ( 0.000 -0.633 0.000) 0.633 4.735 ( 0.000 -5.852 0.000) 5.852 4.817 ( 0.000 0.436 0.000) 0.436 4.839 ( 0.000 -2.088 0.000) 2.088 5.001 ( 0.000 1.109 0.000) 1.109 5.005 ( 0.000 1.008 0.000) 1.008 5.335 ( 0.000 2.569 0.000) 2.569 5.346 ( 0.000 0.727 0.000) 0.727 5.656 ( 0.000 1.321 0.000) 1.321 5.673 ( 0.000 -0.490 0.000) 0.490 5.751 ( 0.000 -1.428 0.000) 1.428 5.756 ( 0.000 -1.324 0.000) 1.324 5.999 ( 0.000 2.241 0.000) 2.241 6.032 ( 0.000 -1.541 0.000) 1.541 6.145 ( 0.000 2.996 0.000) 2.996 6.205 ( 0.000 -0.340 0.000) 0.340 6.261 ( 0.000 1.131 0.000) 1.131 6.273 ( 0.000 2.040 0.000) 2.040 6.583 ( 0.000 2.442 0.000) 2.442 6.633 ( 0.000 -2.786 0.000) 2.786 6.812 ( 0.000 2.667 0.000) 2.667 6.827 ( 0.000 0.261 0.000) 0.261 6.866 ( 0.000 7.349 0.000) 7.349 6.995 ( 0.000 -4.870 0.000) 4.870 7.339 ( 0.000 6.966 0.000) 6.966 7.506 ( 0.000 -9.850 0.000) 9.850 7.713 ( 0.000 9.827 0.000) 9.827 7.898 ( 0.000 -8.535 0.000) 8.535 8.510 ( 0.000 4.895 0.000) 4.895 8.580 ( 0.000 -1.940 0.000) 1.940 12.161 ( 0.000 4.994 0.000) 4.994 12.256 ( 0.000 -2.334 0.000) 2.334 12.358 ( 0.000 -2.061 0.000) 2.061 12.396 ( 0.000 -3.971 0.000) 3.971 12.826 ( 0.000 1.941 0.000) 1.941 12.860 ( 0.000 -0.792 0.000) 0.792 13.000 ( 0.000 0.185 0.000) 0.185 13.003 ( 0.000 -0.224 0.000) 0.224 17.487 ( 0.000 2.147 0.000) 2.147 17.532 ( 0.000 -1.931 0.000) 1.931 17.606 ( 0.000 0.414 0.000) 0.414 17.616 ( 0.000 -0.723 0.000) 0.723 18.417 ( 0.000 1.568 0.000) 1.568 18.444 ( 0.000 -0.498 0.000) 0.498 18.484 ( 0.000 -0.038 0.000) 0.038 18.490 ( 0.000 -0.058 0.000) 0.058 20.856 ( 0.000 0.033 0.000) 0.033 20.860 ( 0.000 -0.344 0.000) 0.344 21.138 ( 0.000 -0.094 0.000) 0.094 21.141 ( 0.000 -0.353 0.000) 0.353 21.293 ( 0.000 0.002 0.000) 0.002 21.293 ( 0.000 -0.102 0.000) 0.102 21.595 ( 0.000 -0.462 0.000) 0.462 21.596 ( 0.000 -0.537 0.000) 0.537 22.559 ( 0.000 3.341 0.000) 3.341 22.619 ( 0.000 -1.681 0.000) 1.681 22.732 ( 0.000 -0.048 0.000) 0.048 22.755 ( 0.000 -1.712 0.000) 1.712 29.252 ( 0.000 0.299 0.000) 0.299 29.263 ( 0.000 -0.708 0.000) 0.708 29.264 ( 0.000 -0.192 0.000) 0.192 29.264 ( 0.000 -0.271 0.000) 0.271 32.826 ( 0.000 2.501 0.000) 2.501 32.893 ( 0.000 -3.549 0.000) 3.549 32.994 ( 0.000 5.413 0.000) 5.413 33.190 ( 0.000 -14.790 0.000) 14.790 35.956 ( 0.000 -0.189 0.000) 0.189 35.960 ( 0.000 -0.643 0.000) 0.643 36.054 ( 0.000 2.285 0.000) 2.285 36.112 ( 0.000 -3.556 0.000) 3.556 39.630 ( 0.000 2.171 0.000) 2.171 39.665 ( 0.000 -1.212 0.000) 1.212 39.848 ( 0.000 2.361 0.000) 2.361 39.884 ( 0.000 -1.137 0.000) 1.137 40.457 ( 0.000 8.420 0.000) 8.420 40.522 ( 0.000 2.378 0.000) 2.378 42.220 ( 0.000 23.938 0.000) 23.938 42.629 ( 0.000 -16.840 0.000) 16.840 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 5.938 10.674 1.852) 12.354 1.593 ( 7.357 -2.217 3.588) 8.480 1.671 ( 3.900 2.562 0.537) 4.697 1.731 ( 0.437 -3.142 1.614) 3.559 1.847 ( 1.405 3.462 -3.762) 5.302 1.856 ( 2.584 1.761 -3.429) 4.641 1.967 ( 0.743 0.360 3.160) 3.266 1.995 ( 5.242 -2.292 1.108) 5.827 2.102 ( 1.296 0.647 3.028) 3.356 2.136 ( 6.194 -0.485 0.168) 6.215 2.233 ( 6.963 4.878 1.512) 8.635 2.403 ( 3.668 -8.692 2.553) 9.773 2.616 ( 4.015 6.371 -3.525) 8.315 2.704 ( 4.070 2.003 0.787) 4.604 2.769 ( 0.449 3.573 0.893) 3.710 2.877 ( 1.048 -3.337 -2.578) 4.345 2.952 ( -1.857 0.719 0.626) 2.088 3.060 ( -1.059 -5.214 -4.152) 6.748 3.441 ( -7.347 3.316 0.904) 8.111 3.514 ( -5.586 -1.629 1.061) 5.914 3.531 ( -2.545 0.266 -2.687) 3.711 3.574 ( -2.647 -3.065 -2.360) 4.687 3.693 ( -2.670 3.901 0.055) 4.728 3.740 ( -4.118 -0.253 0.667) 4.180 4.226 ( -0.899 3.446 -0.116) 3.563 4.256 ( -0.188 -0.578 0.904) 1.090 4.256 ( 0.172 0.560 -0.588) 0.830 4.325 ( -1.952 -3.391 1.947) 4.370 4.578 ( -0.833 3.089 -0.844) 3.309 4.612 ( -1.221 -0.500 2.121) 2.498 4.654 ( 1.463 1.649 -0.080) 2.205 4.726 ( -0.008 -3.559 -0.976) 3.690 4.830 ( 0.799 0.496 -0.298) 0.986 4.848 ( 0.594 -1.317 -0.148) 1.452 5.006 ( 0.855 0.817 0.889) 1.479 5.016 ( 0.744 0.388 -0.464) 0.959 5.350 ( 1.525 2.690 -0.093) 3.093 5.370 ( 2.032 0.468 1.474) 2.553 5.656 ( 0.155 2.034 -1.178) 2.355 5.672 ( -0.013 0.548 -0.348) 0.650 5.773 ( 2.084 -1.407 -1.745) 3.061 5.782 ( 2.668 -2.366 1.494) 3.866 5.967 ( -1.090 1.971 1.964) 2.988 6.018 ( -1.025 -2.666 1.088) 3.057 6.159 ( -0.286 1.405 -0.092) 1.437 6.186 ( 0.183 -0.479 -0.911) 1.046 6.276 ( -0.000 5.426 0.412) 5.442 6.328 ( 2.661 0.681 -0.962) 2.911 6.557 ( -2.596 2.209 0.001) 3.409 6.605 ( -3.115 -2.231 0.911) 3.938 6.830 ( 2.929 2.680 1.114) 4.123 6.841 ( 1.545 3.287 0.841) 3.728 6.928 ( 3.578 3.562 -2.073) 5.457 7.049 ( 5.302 -5.906 -0.638) 7.963 7.362 ( 3.203 6.128 -2.155) 7.242 7.494 ( -0.791 -7.096 0.115) 7.141 7.686 ( -2.000 9.490 -0.264) 9.702 7.867 ( -2.464 -8.502 -0.752) 8.883 8.452 ( -5.547 6.102 0.710) 8.277 8.548 ( -3.531 -3.067 0.279) 4.685 12.154 ( -0.469 5.364 0.636) 5.421 12.265 ( 0.657 -1.925 1.712) 2.659 12.321 ( -3.164 -1.820 1.876) 4.104 12.387 ( -1.088 -4.950 2.251) 5.545 12.839 ( 1.219 2.116 -2.046) 3.186 12.879 ( 1.459 -1.460 -1.123) 2.349 12.984 ( -0.113 2.659 -0.959) 2.829 13.036 ( 1.942 -2.494 -1.875) 3.675 17.494 ( 0.691 1.716 -0.437) 1.901 17.534 ( 0.199 -1.976 0.441) 2.034 17.604 ( -0.263 0.290 0.093) 0.402 17.611 ( -0.419 -0.460 0.216) 0.659 18.421 ( 0.449 1.623 -0.031) 1.684 18.449 ( 0.489 -0.429 -0.034) 0.651 18.481 ( -0.279 0.197 -0.032) 0.343 18.492 ( 0.146 -0.346 -0.309) 0.486 20.851 ( -0.413 0.073 0.012) 0.420 20.856 ( -0.309 -0.419 0.022) 0.521 21.134 ( -0.267 0.033 -0.018) 0.270 21.139 ( -0.115 -0.495 0.052) 0.511 21.317 ( 2.330 0.190 -0.029) 2.338 21.323 ( 2.599 -0.388 -0.026) 2.628 21.579 ( -1.553 -0.266 0.008) 1.576 21.583 ( -1.356 -0.685 -0.020) 1.520 22.571 ( 1.097 2.834 0.241) 3.049 22.621 ( 0.256 -1.418 0.139) 1.448 22.727 ( -0.473 0.068 -0.126) 0.494 22.748 ( -0.679 -1.492 -0.045) 1.640 29.252 ( 0.044 0.166 -0.040) 0.176 29.259 ( -0.215 -0.418 0.018) 0.471 29.264 ( 0.045 -0.105 0.049) 0.125 29.268 ( 0.206 -0.516 -0.042) 0.558 32.824 ( -0.204 2.077 -0.936) 2.287 32.890 ( -0.320 -3.955 0.605) 4.013 33.009 ( 1.386 4.650 -0.678) 4.900 33.179 ( -0.987 -12.995 0.829) 13.059 35.950 ( -0.279 0.666 -0.224) 0.755 35.972 ( 0.742 -1.589 0.322) 1.783 36.049 ( -0.463 2.777 0.123) 2.818 36.119 ( 0.544 -4.311 -0.074) 4.346 39.612 ( 0.477 2.143 0.194) 2.204 39.645 ( 0.377 -1.124 0.409) 1.254 40.021 ( 14.233 3.668 -0.568) 14.709 40.065 ( 14.575 -0.447 0.138) 14.582 40.412 ( -3.312 7.262 0.120) 7.983 40.463 ( -4.951 2.512 -0.299) 5.560 42.065 ( -15.149 21.889 0.033) 26.620 42.424 ( -19.767 -13.738 -0.358) 24.074 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.373 7.462 0.411) 8.199 1.678 ( 0.223 -3.778 2.940) 4.792 1.748 ( 2.324 6.020 1.123) 6.550 1.790 ( 3.610 3.370 2.418) 5.499 1.888 ( -0.395 -1.101 0.166) 1.181 1.917 ( 4.444 1.194 -4.227) 6.248 1.980 ( 3.023 5.906 7.371) 9.917 2.074 ( 4.583 -2.263 0.087) 5.112 2.164 ( 7.184 8.294 -2.472) 11.248 2.352 ( 10.416 -5.686 -0.836) 11.896 2.427 ( 10.564 2.251 1.983) 10.982 2.486 ( 1.493 -4.793 1.682) 5.294 2.709 ( 4.555 5.628 1.392) 7.373 2.758 ( 2.565 9.244 -4.664) 10.667 2.778 ( 0.184 0.291 4.883) 4.895 2.910 ( 2.503 -0.311 0.273) 2.537 2.946 ( 2.227 -7.560 -3.399) 8.583 3.044 ( -0.123 -10.687 -7.893) 13.286 3.242 ( -10.944 5.420 0.749) 12.236 3.349 ( -10.075 -5.391 3.535) 11.961 3.464 ( -4.593 0.602 -2.292) 5.168 3.485 ( -5.731 -1.627 -1.685) 6.191 3.629 ( -3.031 3.670 -0.165) 4.762 3.660 ( -3.303 -0.324 0.355) 3.338 4.197 ( -1.127 3.876 0.414) 4.058 4.257 ( 0.320 -0.585 -0.069) 0.671 4.271 ( 0.394 -0.857 1.105) 1.453 4.294 ( -0.970 -3.324 0.886) 3.575 4.568 ( -0.225 -0.289 -0.282) 0.463 4.572 ( -1.892 -0.860 1.361) 2.485 4.687 ( 1.511 2.847 -0.355) 3.242 4.742 ( 1.197 -0.829 -1.488) 2.082 4.831 ( -0.284 0.958 -0.521) 1.127 4.854 ( -0.255 -1.031 -0.238) 1.089 5.022 ( 0.368 0.923 -0.245) 1.023 5.038 ( 1.423 -0.782 1.189) 2.013 5.387 ( 1.953 2.227 0.439) 2.995 5.412 ( 1.723 -0.075 1.272) 2.143 5.663 ( 0.513 3.551 -0.845) 3.686 5.677 ( 0.501 2.258 -0.699) 2.416 5.831 ( 3.598 -1.879 -2.148) 4.592 5.847 ( 3.318 -2.952 1.234) 4.609 5.987 ( 2.778 0.460 2.464) 3.741 6.020 ( 1.048 -2.211 1.808) 3.043 6.132 ( -1.448 2.686 -1.176) 3.270 6.184 ( -1.377 -2.315 -0.065) 2.694 6.260 ( -1.351 5.132 -0.633) 5.345 6.313 ( -4.191 0.331 -0.136) 4.206 6.506 ( -1.752 1.327 0.388) 2.232 6.536 ( -2.465 -0.900 -0.204) 2.632 6.852 ( 0.836 4.008 -0.281) 4.103 6.889 ( -0.609 -0.414 0.109) 0.744 6.998 ( 4.389 5.474 1.420) 7.158 7.139 ( 2.277 -6.702 0.425) 7.091 7.449 ( 3.277 3.413 -2.051) 5.157 7.488 ( -0.458 -0.175 0.240) 0.545 7.701 ( 5.127 7.206 -1.817) 9.029 7.858 ( 3.858 -7.528 -2.550) 8.835 8.306 ( -8.668 7.496 1.133) 11.515 8.433 ( -7.841 -4.519 1.235) 9.134 12.153 ( 0.462 5.542 0.485) 5.582 12.246 ( -3.211 4.304 1.997) 5.729 12.289 ( 0.639 -6.799 1.562) 7.005 12.362 ( -1.350 -6.331 1.785) 6.715 12.864 ( 1.247 2.026 -1.278) 2.701 12.895 ( 0.071 -0.725 -1.177) 1.384 12.997 ( 1.244 2.877 -1.054) 3.307 13.068 ( 1.275 -3.862 -1.808) 4.451 17.510 ( 0.970 0.772 -0.660) 1.404 17.537 ( -0.084 -1.732 0.764) 1.894 17.596 ( -0.386 0.355 0.679) 0.858 17.604 ( -0.338 -0.434 -0.495) 0.740 18.432 ( 0.584 1.634 -0.013) 1.735 18.459 ( 0.425 -0.049 0.013) 0.428 18.474 ( -0.344 0.344 -0.061) 0.490 18.494 ( 0.083 -0.738 -0.317) 0.807 20.844 ( -0.259 0.169 -0.063) 0.315 20.852 ( -0.122 -0.624 0.094) 0.643 21.130 ( -0.111 0.111 -0.023) 0.159 21.138 ( -0.045 -0.661 0.055) 0.665 21.374 ( 3.121 0.287 -0.019) 3.134 21.383 ( 3.171 -0.649 -0.032) 3.237 21.537 ( -2.450 -0.037 -0.018) 2.450 21.545 ( -2.334 -0.775 0.006) 2.459 22.599 ( 1.569 1.593 0.314) 2.258 22.629 ( 0.373 -0.958 0.116) 1.035 22.715 ( -0.646 0.391 -0.196) 0.780 22.730 ( -1.022 -0.906 -0.037) 1.366 29.253 ( 0.025 -0.086 -0.007) 0.090 29.255 ( -0.119 -0.295 -0.025) 0.319 29.265 ( 0.053 0.046 0.042) 0.082 29.271 ( 0.115 -0.541 -0.025) 0.554 32.819 ( -0.160 1.380 -0.822) 1.615 32.883 ( -0.349 -4.664 0.515) 4.705 33.041 ( 1.667 2.618 -0.918) 3.237 33.156 ( -1.287 -9.144 1.052) 9.294 35.946 ( -0.090 1.417 -0.105) 1.423 35.986 ( 0.594 -2.574 0.209) 2.650 36.040 ( -0.310 3.411 0.097) 3.426 36.128 ( 0.311 -5.385 -0.054) 5.394 39.675 ( 5.400 2.628 0.061) 6.005 39.704 ( 4.967 -0.276 0.380) 4.990 40.165 ( -4.974 5.689 -0.382) 7.567 40.198 ( -5.099 2.505 0.445) 5.699 40.520 ( 17.815 5.709 0.120) 18.707 40.575 ( 21.684 0.404 -0.673) 21.698 41.667 ( -23.168 16.581 0.121) 28.490 41.911 ( -29.867 -7.263 -0.391) 30.740 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.000 4.351 -0.000) 4.351 1.673 ( 0.000 -3.104 0.000) 3.104 1.762 ( 0.000 7.365 -0.000) 7.365 1.822 ( -0.000 8.131 0.000) 8.131 1.868 ( 0.000 -2.882 -0.000) 2.882 1.962 ( 0.000 -3.288 -0.000) 3.288 2.047 ( 0.000 11.293 0.000) 11.293 2.138 ( 0.000 0.982 0.000) 0.982 2.296 ( 0.000 11.765 -0.000) 11.765 2.433 ( -0.000 -0.685 0.000) 0.685 2.478 ( 0.000 -3.058 0.000) 3.058 2.561 ( 0.000 -10.762 0.000) 10.762 2.710 ( -0.000 8.899 0.000) 8.899 2.789 ( 0.000 6.545 0.000) 6.545 2.890 ( -0.000 -5.121 -0.000) 5.121 2.914 ( 0.000 0.126 -0.000) 0.126 2.994 ( 0.000 -4.317 -0.000) 4.317 3.017 ( -0.000 -3.714 0.000) 3.714 3.156 ( -0.000 -1.011 0.000) 1.011 3.174 ( 0.000 -7.145 -0.000) 7.145 3.390 ( 0.000 0.662 0.000) 0.662 3.418 ( -0.000 -1.668 -0.000) 1.668 3.596 ( 0.000 2.637 0.000) 2.637 3.625 ( 0.000 0.182 0.000) 0.182 4.188 ( 0.000 3.700 0.000) 3.700 4.260 ( 0.000 -1.214 -0.000) 1.214 4.271 ( 0.000 -1.294 -0.000) 1.294 4.289 ( 0.000 -1.338 0.000) 1.338 4.551 ( 0.000 -0.451 0.000) 0.451 4.570 ( 0.000 -2.377 -0.000) 2.377 4.704 ( 0.000 3.133 0.000) 3.133 4.754 ( 0.000 1.095 -0.000) 1.095 4.837 ( 0.000 0.508 0.000) 0.508 4.839 ( -0.000 -1.673 -0.000) 1.673 5.026 ( 0.000 1.517 0.000) 1.517 5.055 ( 0.000 -1.408 0.000) 1.408 5.412 ( -0.000 1.412 -0.000) 1.412 5.430 ( 0.000 -0.195 0.000) 0.195 5.670 ( -0.000 4.262 -0.000) 4.262 5.681 ( 0.000 3.181 0.000) 3.181 5.881 ( -0.000 -2.850 0.000) 2.850 5.886 ( 0.000 -1.972 -0.000) 1.972 6.036 ( 0.000 -0.480 0.000) 0.480 6.039 ( -0.000 -1.025 -0.000) 1.025 6.116 ( 0.000 1.935 -0.000) 1.935 6.159 ( 0.000 -2.308 -0.000) 2.308 6.236 ( 0.000 1.993 -0.000) 1.993 6.238 ( -0.000 2.146 0.000) 2.146 6.492 ( 0.000 1.373 -0.000) 1.373 6.517 ( 0.000 -0.306 0.000) 0.306 6.864 ( 0.000 3.428 -0.000) 3.428 6.867 ( -0.000 2.675 0.000) 2.675 7.055 ( 0.000 0.935 0.000) 0.935 7.146 ( -0.000 -6.113 0.000) 6.113 7.469 ( 0.000 2.093 -0.000) 2.093 7.476 ( 0.000 2.176 0.000) 2.176 7.796 ( 0.000 8.513 0.000) 8.513 7.957 ( -0.000 -6.733 -0.000) 6.733 8.187 ( 0.000 6.627 0.000) 6.627 8.312 ( 0.000 -4.574 0.000) 4.574 12.167 ( 0.000 4.998 0.000) 4.998 12.202 ( 0.000 4.789 -0.000) 4.789 12.300 ( 0.000 -5.856 0.000) 5.856 12.346 ( 0.000 -7.201 0.000) 7.201 12.882 ( 0.000 1.226 0.000) 1.226 12.888 ( 0.000 0.996 -0.000) 0.996 13.012 ( 0.000 2.100 0.000) 2.100 13.081 ( 0.000 -4.232 -0.000) 4.232 17.527 ( 0.000 -0.319 0.000) 0.319 17.530 ( 0.000 -0.638 -0.000) 0.638 17.594 ( -0.000 0.017 -0.000) 0.017 17.598 ( 0.000 -0.373 0.000) 0.373 18.439 ( 0.000 1.563 -0.000) 1.563 18.463 ( 0.000 0.710 0.000) 0.710 18.470 ( 0.000 -0.059 -0.000) 0.059 18.495 ( 0.000 -0.947 0.000) 0.947 20.841 ( 0.000 0.230 -0.000) 0.230 20.851 ( 0.000 -0.752 0.000) 0.752 21.129 ( 0.000 0.121 -0.000) 0.121 21.137 ( 0.000 -0.733 0.000) 0.733 21.418 ( -0.000 0.113 -0.000) 0.113 21.424 ( 0.000 -0.563 0.000) 0.563 21.502 ( 0.000 0.024 -0.000) 0.024 21.510 ( -0.000 -0.741 0.000) 0.741 22.622 ( 0.000 0.347 0.000) 0.347 22.629 ( -0.000 -0.297 0.000) 0.297 22.708 ( 0.000 0.470 0.000) 0.470 22.716 ( 0.000 -0.362 -0.000) 0.362 29.253 ( 0.000 -0.179 -0.000) 0.179 29.254 ( 0.000 -0.269 0.000) 0.269 29.266 ( 0.000 0.112 0.000) 0.112 29.272 ( 0.000 -0.540 0.000) 0.540 32.817 ( 0.000 1.087 0.000) 1.087 32.879 ( 0.000 -4.972 0.000) 4.972 33.061 ( -0.000 1.104 0.000) 1.104 33.140 ( 0.000 -6.817 -0.000) 6.817 35.945 ( 0.000 1.695 0.000) 1.695 35.993 ( 0.000 -3.000 0.000) 3.000 36.037 ( 0.000 3.626 0.000) 3.626 36.131 ( 0.000 -5.773 0.000) 5.773 39.764 ( 0.000 2.563 -0.000) 2.563 39.775 ( -0.000 1.322 0.000) 1.322 40.085 ( 0.000 3.390 -0.000) 3.390 40.086 ( -0.000 3.490 0.000) 3.490 40.878 ( 0.000 6.538 0.000) 6.538 40.895 ( -0.000 4.931 0.000) 4.931 41.372 ( -0.000 4.831 0.000) 4.831 41.415 ( 0.000 0.650 -0.000) 0.650 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -5.888 0.000 19.879) 20.732 0.459 ( 8.860 0.000 22.173) 23.878 0.888 ( -19.169 0.000 41.171) 45.415 1.156 ( 2.575 0.000 -14.159) 14.391 1.301 ( -8.871 0.000 -17.346) 19.482 1.535 ( -3.884 0.000 7.494) 8.441 1.792 ( 11.015 0.000 1.003) 11.061 1.799 ( -2.511 0.000 5.104) 5.689 1.925 ( 3.756 0.000 1.538) 4.059 2.177 ( -4.024 0.000 0.599) 4.068 2.282 ( 0.789 0.000 -5.152) 5.212 2.335 ( 4.001 0.000 -3.214) 5.132 2.462 ( -0.874 0.000 -2.517) 2.664 2.501 ( 4.525 0.000 -7.399) 8.674 2.637 ( 1.260 0.000 2.387) 2.699 2.656 ( -2.067 0.000 0.548) 2.139 2.734 ( 9.947 0.000 -2.166) 10.180 2.761 ( -6.913 0.000 -7.540) 10.230 2.936 ( 0.498 0.000 1.135) 1.239 3.281 ( -2.309 0.000 -4.347) 4.923 3.620 ( -0.774 0.000 3.244) 3.335 3.777 ( 0.551 0.000 -1.455) 1.556 3.950 ( -0.776 0.000 -0.012) 0.776 4.116 ( 0.881 0.000 -7.554) 7.605 4.243 ( 1.781 0.000 -1.016) 2.050 4.257 ( 0.820 0.000 3.268) 3.369 4.349 ( 13.160 0.000 2.313) 13.362 4.492 ( -6.315 0.000 5.477) 8.359 4.603 ( -4.889 0.000 -5.242) 7.168 4.624 ( -6.551 0.000 3.989) 7.670 4.695 ( 1.123 0.000 -1.097) 1.570 4.718 ( 4.726 0.000 -0.269) 4.734 4.747 ( 2.625 0.000 -0.630) 2.699 4.838 ( 3.720 0.000 -0.164) 3.723 5.058 ( -0.560 0.000 0.440) 0.712 5.112 ( -3.245 0.000 0.703) 3.320 5.300 ( -3.583 0.000 2.821) 4.561 5.303 ( -0.820 0.000 1.571) 1.773 5.587 ( 1.621 0.000 -0.593) 1.726 5.601 ( -0.565 0.000 -0.584) 0.813 5.752 ( 0.665 0.000 -0.074) 0.669 5.834 ( -2.904 0.000 -3.219) 4.335 5.883 ( 3.332 0.000 3.764) 5.027 5.955 ( -0.971 0.000 1.183) 1.530 6.070 ( -0.925 0.000 -0.249) 0.958 6.099 ( -14.788 0.000 -1.696) 14.885 6.182 ( 7.469 0.000 -4.699) 8.824 6.187 ( -7.588 0.000 -4.724) 8.938 6.309 ( 4.863 0.000 3.702) 6.112 6.420 ( -3.070 0.000 -1.148) 3.278 6.619 ( -11.174 0.000 11.358) 15.933 6.620 ( 1.441 0.000 7.732) 7.865 6.884 ( -7.355 0.000 3.452) 8.125 6.984 ( -0.363 0.000 -1.488) 1.532 7.041 ( 1.798 0.000 -2.730) 3.269 7.366 ( 31.598 0.000 -17.944) 36.337 7.511 ( -3.021 0.000 9.542) 10.009 7.870 ( 33.987 0.000 1.471) 34.019 8.288 ( 1.171 0.000 0.517) 1.280 8.432 ( -5.566 0.000 -6.878) 8.848 12.240 ( -3.653 0.000 7.068) 7.956 12.323 ( 0.723 0.000 9.054) 9.083 12.546 ( 2.135 0.000 -3.826) 4.381 12.608 ( -0.859 0.000 -2.118) 2.286 12.786 ( -1.758 0.000 2.719) 3.238 12.910 ( -0.150 0.000 0.567) 0.587 12.916 ( 2.028 0.000 -4.252) 4.711 13.112 ( 1.115 0.000 -6.226) 6.325 17.503 ( -1.183 0.000 0.261) 1.212 17.524 ( 1.204 0.000 -0.472) 1.293 17.690 ( 2.233 0.000 3.569) 4.210 17.855 ( -16.210 0.000 -2.840) 16.457 18.324 ( 0.716 0.000 0.594) 0.930 18.370 ( -0.581 0.000 -1.169) 1.305 18.445 ( -0.469 0.000 2.350) 2.396 18.562 ( -2.428 0.000 -2.177) 3.261 20.902 ( -1.396 0.000 0.727) 1.574 20.945 ( 11.136 0.000 -0.914) 11.173 21.176 ( -0.762 0.000 0.637) 0.993 21.216 ( 6.920 0.000 -0.959) 6.986 21.292 ( 2.062 0.000 0.523) 2.127 21.313 ( -1.256 0.000 -0.297) 1.291 21.678 ( 0.911 0.000 0.281) 0.953 21.686 ( -1.068 0.000 -0.017) 1.068 22.613 ( -1.135 0.000 2.438) 2.689 22.717 ( 0.941 0.000 0.597) 1.114 22.734 ( 1.415 0.000 -1.901) 2.370 22.752 ( -1.025 0.000 -1.094) 1.499 29.293 ( -0.561 0.000 0.248) 0.613 29.310 ( 0.253 0.000 0.612) 0.663 29.317 ( 0.586 0.000 -0.696) 0.910 29.336 ( -1.681 0.000 -0.383) 1.724 32.912 ( -3.258 0.000 2.506) 4.111 33.069 ( 4.112 0.000 -3.645) 5.495 34.656 ( 8.370 0.000 1.547) 8.511 34.727 ( -63.688 0.000 -1.170) 63.698 35.947 ( -2.917 0.000 0.683) 2.996 35.981 ( 2.548 0.000 -0.616) 2.622 36.554 ( -44.924 0.000 2.677) 45.003 36.661 ( 6.360 0.000 -1.524) 6.540 39.212 ( -0.128 0.000 4.504) 4.505 39.467 ( 0.297 0.000 -5.828) 5.836 39.538 ( -1.081 0.000 1.283) 1.678 39.597 ( -0.605 0.000 -0.588) 0.844 39.742 ( -1.368 0.000 2.233) 2.618 39.872 ( 0.389 0.000 -3.059) 3.084 40.204 ( 2.483 0.000 3.655) 4.419 40.349 ( -16.627 0.000 -2.268) 16.781 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.242 0.000 24.682) 24.683 0.555 ( 16.887 0.000 10.807) 20.049 1.159 ( 31.106 0.000 19.614) 36.774 1.214 ( 2.245 0.000 -17.507) 17.650 1.279 ( 10.667 0.000 -9.669) 14.397 1.489 ( -0.697 0.000 2.663) 2.752 1.744 ( -3.021 0.000 4.057) 5.058 2.003 ( 3.750 0.000 3.442) 5.090 2.028 ( -0.950 0.000 2.835) 2.990 2.167 ( 12.049 0.000 -0.480) 12.059 2.252 ( -4.171 0.000 -2.313) 4.769 2.303 ( -7.212 0.000 0.627) 7.239 2.447 ( 2.951 0.000 -0.400) 2.978 2.501 ( -4.315 0.000 -4.767) 6.430 2.626 ( 1.403 0.000 -3.258) 3.548 2.632 ( -1.010 0.000 4.653) 4.761 2.805 ( 10.786 0.000 -11.176) 15.532 2.951 ( 3.881 0.000 9.280) 10.059 2.997 ( 11.449 0.000 -8.862) 14.478 3.235 ( -1.408 0.000 -6.884) 7.027 3.575 ( -4.229 0.000 2.417) 4.871 3.716 ( -7.104 0.000 1.379) 7.237 3.903 ( -4.731 0.000 0.554) 4.764 4.109 ( -2.586 0.000 -8.045) 8.451 4.186 ( -7.400 0.000 7.279) 10.380 4.224 ( -5.399 0.000 -4.675) 7.142 4.335 ( -5.956 0.000 -0.304) 5.963 4.447 ( -6.558 0.000 -0.920) 6.623 4.537 ( -1.954 0.000 -3.734) 4.214 4.558 ( 0.897 0.000 -1.694) 1.917 4.704 ( 4.620 0.000 -3.220) 5.632 4.724 ( -4.297 0.000 3.085) 5.290 4.869 ( -0.357 0.000 2.564) 2.588 4.901 ( 8.422 0.000 -8.404) 11.898 5.006 ( -7.998 0.000 5.699) 9.821 5.068 ( 1.291 0.000 -0.775) 1.506 5.218 ( -1.874 0.000 10.409) 10.576 5.282 ( -1.163 0.000 0.647) 1.331 5.585 ( -2.587 0.000 0.117) 2.590 5.614 ( 1.087 0.000 0.371) 1.148 5.699 ( -5.614 0.000 7.778) 9.593 5.730 ( -6.984 0.000 -4.029) 8.063 5.766 ( -3.822 0.000 -0.131) 3.825 5.876 ( -3.997 0.000 6.542) 7.666 5.985 ( 1.510 0.000 1.544) 2.160 6.046 ( -1.227 0.000 4.085) 4.265 6.191 ( 2.485 0.000 -7.154) 7.573 6.252 ( -11.559 0.000 2.697) 11.870 6.371 ( 10.321 0.000 -7.602) 12.819 6.452 ( 4.042 0.000 -1.741) 4.401 6.504 ( 1.726 0.000 7.685) 7.877 6.616 ( -1.739 0.000 9.391) 9.551 6.665 ( -4.200 0.000 -0.577) 4.240 7.009 ( -4.054 0.000 -6.567) 7.717 7.241 ( 16.508 0.000 -3.920) 16.967 7.491 ( -1.533 0.000 9.943) 10.061 7.567 ( 6.247 0.000 -13.848) 15.192 8.294 ( -7.815 0.000 0.096) 7.816 8.361 ( 5.622 0.000 1.260) 5.762 8.712 ( 19.409 0.000 -21.982) 29.324 12.237 ( 1.560 0.000 3.792) 4.100 12.347 ( 0.923 0.000 8.358) 8.409 12.577 ( -0.038 0.000 -1.705) 1.705 12.596 ( 0.947 0.000 -2.920) 3.070 12.773 ( 0.361 0.000 1.209) 1.262 12.905 ( -0.370 0.000 0.363) 0.518 12.930 ( -0.495 0.000 -2.716) 2.761 13.129 ( 0.742 0.000 -5.856) 5.903 17.491 ( -0.017 0.000 -0.624) 0.624 17.553 ( -1.742 0.000 2.364) 2.936 17.570 ( -2.080 0.000 2.311) 3.109 17.711 ( -0.504 0.000 5.022) 5.047 18.346 ( 1.310 0.000 1.085) 1.701 18.371 ( 0.826 0.000 -1.710) 1.899 18.430 ( -1.224 0.000 2.111) 2.441 18.530 ( -0.840 0.000 -1.142) 1.417 20.871 ( -1.303 0.000 -0.408) 1.366 21.029 ( -0.323 0.000 -3.066) 3.083 21.156 ( -0.727 0.000 0.287) 0.782 21.249 ( -0.554 0.000 -2.097) 2.169 21.347 ( 3.709 0.000 -1.059) 3.858 21.568 ( 9.730 0.000 -7.219) 12.116 21.662 ( -0.557 0.000 -1.134) 1.263 21.688 ( 0.091 0.000 1.065) 1.069 22.602 ( -0.054 0.000 1.492) 1.493 22.725 ( -1.160 0.000 -0.844) 1.435 22.728 ( 0.013 0.000 1.299) 1.299 22.765 ( 1.370 0.000 -1.918) 2.357 29.282 ( -0.507 0.000 -0.170) 0.535 29.297 ( -1.116 0.000 0.206) 1.135 29.314 ( 0.152 0.000 0.813) 0.827 29.330 ( 0.536 0.000 -0.248) 0.590 32.901 ( 1.994 0.000 -0.835) 2.161 33.064 ( -17.496 0.000 16.539) 24.076 33.338 ( -11.768 0.000 23.265) 26.072 34.598 ( -12.516 0.000 7.643) 14.665 35.906 ( 0.271 0.000 -1.453) 1.478 35.994 ( -0.916 0.000 0.567) 1.078 36.235 ( 0.199 0.000 11.744) 11.746 36.814 ( 6.143 0.000 4.510) 7.620 39.227 ( 1.273 0.000 4.398) 4.578 39.475 ( 0.811 0.000 -5.534) 5.593 39.475 ( -4.064 0.000 4.426) 6.008 39.582 ( -0.748 0.000 -1.702) 1.859 39.757 ( 2.313 0.000 1.233) 2.621 39.872 ( -0.160 0.000 -1.500) 1.509 40.047 ( -8.215 0.000 6.753) 10.634 40.220 ( -1.329 0.000 3.695) 3.926 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 17.646 0.000 0.637) 17.657 0.973 ( 23.280 0.000 3.419) 23.530 1.332 ( 8.905 0.000 -12.536) 15.377 1.473 ( 10.641 0.000 -9.316) 14.143 1.511 ( 2.753 0.000 -6.644) 7.192 1.648 ( -6.540 0.000 0.194) 6.543 1.831 ( -14.654 0.000 0.634) 14.667 1.866 ( 31.828 0.000 12.944) 34.360 2.017 ( -7.862 0.000 -0.366) 7.871 2.126 ( -2.700 0.000 4.635) 5.364 2.180 ( -2.431 0.000 0.953) 2.611 2.334 ( -2.273 0.000 9.224) 9.500 2.429 ( -2.123 0.000 -0.098) 2.125 2.570 ( 6.647 0.000 0.657) 6.680 2.676 ( 5.669 0.000 1.616) 5.895 2.753 ( 10.920 0.000 -6.276) 12.595 3.014 ( 8.925 0.000 -10.095) 13.475 3.041 ( 7.809 0.000 6.381) 10.084 3.220 ( 1.284 0.000 -6.357) 6.485 3.248 ( 11.894 0.000 -5.842) 13.252 3.449 ( -7.521 0.000 0.911) 7.576 3.476 ( -17.773 0.000 9.503) 20.154 3.713 ( -14.341 0.000 -4.222) 14.950 3.845 ( -18.655 0.000 2.890) 18.878 4.101 ( -3.284 0.000 -0.586) 3.336 4.163 ( 1.600 0.000 -3.729) 4.058 4.284 ( -0.869 0.000 -4.384) 4.470 4.348 ( -3.060 0.000 -3.620) 4.740 4.494 ( -2.581 0.000 -3.439) 4.300 4.522 ( -2.608 0.000 -2.198) 3.411 4.640 ( -3.017 0.000 6.330) 7.012 4.819 ( 5.049 0.000 -0.932) 5.134 4.839 ( -2.479 0.000 3.870) 4.595 4.857 ( -5.127 0.000 8.666) 10.069 5.015 ( 3.140 0.000 -9.990) 10.472 5.090 ( 0.853 0.000 -2.490) 2.632 5.229 ( 1.540 0.000 5.324) 5.543 5.284 ( 1.885 0.000 0.867) 2.075 5.497 ( -4.531 0.000 1.607) 4.808 5.570 ( -7.696 0.000 -2.950) 8.242 5.641 ( 1.258 0.000 1.975) 2.341 5.650 ( -1.150 0.000 1.391) 1.804 5.766 ( 1.719 0.000 0.115) 1.723 5.769 ( -5.586 0.000 7.229) 9.136 6.010 ( 0.905 0.000 0.668) 1.124 6.027 ( -1.398 0.000 5.936) 6.098 6.113 ( -2.615 0.000 -1.852) 3.205 6.244 ( 3.127 0.000 -6.256) 6.994 6.457 ( -0.690 0.000 0.094) 0.696 6.472 ( -3.475 0.000 5.574) 6.569 6.608 ( 6.014 0.000 -3.182) 6.804 6.652 ( 6.244 0.000 0.288) 6.250 6.682 ( 5.288 0.000 -0.526) 5.314 6.898 ( -6.213 0.000 -5.821) 8.514 7.375 ( -4.841 0.000 6.647) 8.223 7.624 ( 15.296 0.000 0.541) 15.305 7.707 ( 7.970 0.000 -14.146) 16.237 8.130 ( -8.585 0.000 1.488) 8.713 8.475 ( 4.717 0.000 2.884) 5.528 8.807 ( -2.016 0.000 -6.290) 6.605 12.260 ( 0.443 0.000 6.166) 6.182 12.369 ( 0.605 0.000 8.747) 8.768 12.556 ( -1.256 0.000 -1.768) 2.169 12.623 ( 1.200 0.000 -2.438) 2.717 12.789 ( 1.019 0.000 1.212) 1.583 12.895 ( -0.594 0.000 0.361) 0.695 12.900 ( -2.035 0.000 -1.347) 2.441 13.130 ( -0.171 0.000 -6.045) 6.048 17.500 ( 0.931 0.000 -1.431) 1.707 17.525 ( 0.082 0.000 -2.125) 2.127 17.622 ( 3.453 0.000 0.448) 3.482 17.684 ( -2.224 0.000 4.311) 4.851 18.374 ( 1.291 0.000 1.291) 1.826 18.400 ( 2.074 0.000 -2.118) 2.965 18.402 ( -1.546 0.000 1.723) 2.315 18.510 ( -1.202 0.000 -1.388) 1.836 20.859 ( 0.034 0.000 0.134) 0.138 21.004 ( -1.461 0.000 -2.777) 3.138 21.150 ( -0.010 0.000 0.740) 0.740 21.238 ( -0.347 0.000 -1.923) 1.954 21.432 ( 4.535 0.000 -1.650) 4.826 21.582 ( -2.933 0.000 -1.535) 3.311 21.682 ( -0.864 0.000 1.950) 2.133 21.687 ( 0.934 0.000 1.216) 1.533 22.611 ( 0.798 0.000 0.800) 1.130 22.704 ( -0.890 0.000 -1.163) 1.464 22.721 ( -0.711 0.000 2.158) 2.273 22.786 ( 0.813 0.000 -1.457) 1.668 29.275 ( -0.137 0.000 -0.554) 0.571 29.289 ( -0.014 0.000 -1.371) 1.371 29.317 ( 0.017 0.000 0.938) 0.938 29.340 ( 0.483 0.000 -0.170) 0.512 32.928 ( 1.889 0.000 -4.112) 4.525 32.986 ( 6.758 0.000 -5.524) 8.728 33.511 ( 15.171 0.000 6.701) 16.585 34.257 ( -20.622 0.000 9.026) 22.511 35.921 ( 0.840 0.000 -1.380) 1.615 35.967 ( -1.473 0.000 0.420) 1.531 36.303 ( 4.646 0.000 11.119) 12.051 36.858 ( -1.717 0.000 2.701) 3.200 39.265 ( 2.220 0.000 4.096) 4.659 39.401 ( -3.705 0.000 4.257) 5.644 39.488 ( 0.753 0.000 -4.864) 4.922 39.570 ( -0.213 0.000 -3.005) 3.013 39.818 ( 3.496 0.000 0.978) 3.630 39.864 ( -0.560 0.000 0.217) 0.600 39.957 ( -2.883 0.000 3.894) 4.845 40.173 ( -2.870 0.000 0.033) 2.870 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 19.621 0.000 -9.049) 21.607 1.382 ( -16.283 0.000 0.126) 16.284 1.420 ( 15.068 0.000 -0.458) 15.075 1.467 ( -9.533 0.000 -6.061) 11.297 1.506 ( 5.118 0.000 -0.136) 5.120 1.602 ( 3.003 0.000 -9.409) 9.876 1.673 ( -3.569 0.000 -5.302) 6.391 1.771 ( -1.386 0.000 -7.804) 7.926 2.087 ( -0.628 0.000 6.993) 7.021 2.143 ( -1.518 0.000 3.207) 3.548 2.228 ( -6.242 0.000 10.311) 12.054 2.399 ( 5.299 0.000 2.126) 5.710 2.519 ( 15.159 0.000 8.197) 17.234 2.660 ( 1.493 0.000 -1.531) 2.139 2.696 ( -3.177 0.000 1.822) 3.662 2.910 ( -9.711 0.000 9.774) 13.778 3.024 ( -2.151 0.000 -0.545) 2.218 3.089 ( -14.965 0.000 -3.746) 15.426 3.143 ( -1.000 0.000 -8.015) 8.077 3.269 ( 1.265 0.000 0.648) 1.421 3.369 ( 10.113 0.000 -2.487) 10.414 3.429 ( -6.451 0.000 -0.918) 6.515 3.505 ( -12.022 0.000 -0.069) 12.022 3.607 ( 15.541 0.000 -2.893) 15.808 4.092 ( 1.372 0.000 3.310) 3.583 4.193 ( 1.199 0.000 -3.517) 3.716 4.296 ( 3.401 0.000 -7.250) 8.008 4.315 ( 0.061 0.000 -3.398) 3.398 4.445 ( -1.128 0.000 -0.613) 1.284 4.475 ( -1.817 0.000 -2.915) 3.435 4.624 ( 0.121 0.000 7.012) 7.013 4.759 ( -3.430 0.000 9.419) 10.024 4.792 ( -2.262 0.000 2.712) 3.532 4.961 ( 6.834 0.000 -3.307) 7.592 5.016 ( -1.267 0.000 -7.633) 7.738 5.101 ( 0.453 0.000 -3.776) 3.803 5.267 ( 1.024 0.000 4.398) 4.515 5.357 ( 4.955 0.000 1.228) 5.104 5.441 ( -0.519 0.000 0.011) 0.519 5.442 ( -4.465 0.000 -0.646) 4.511 5.638 ( -0.185 0.000 1.595) 1.606 5.639 ( -2.448 0.000 3.209) 4.036 5.735 ( 2.495 0.000 4.429) 5.084 5.802 ( 1.794 0.000 -0.052) 1.795 5.998 ( -1.487 0.000 3.833) 4.111 6.027 ( 0.819 0.000 0.084) 0.824 6.096 ( 0.095 0.000 -0.910) 0.915 6.295 ( 1.334 0.000 -1.609) 2.090 6.384 ( -3.937 0.000 2.117) 4.470 6.427 ( -2.188 0.000 0.290) 2.207 6.653 ( 0.526 0.000 4.273) 4.305 6.751 ( -5.204 0.000 -6.689) 8.475 6.813 ( 6.047 0.000 -0.559) 6.073 6.841 ( 8.681 0.000 -9.829) 13.113 7.241 ( -8.483 0.000 10.524) 13.517 7.814 ( 1.524 0.000 -13.131) 13.219 7.884 ( 9.541 0.000 1.246) 9.622 7.966 ( -6.787 0.000 -2.513) 7.237 8.518 ( -1.219 0.000 5.520) 5.653 8.725 ( -5.133 0.000 -4.348) 6.727 12.270 ( 0.218 0.000 8.077) 8.080 12.380 ( -0.179 0.000 9.138) 9.140 12.529 ( -1.207 0.000 -2.712) 2.968 12.634 ( 0.166 0.000 -2.179) 2.186 12.811 ( 0.987 0.000 1.686) 1.954 12.861 ( -1.487 0.000 -1.361) 2.016 12.886 ( -0.259 0.000 0.864) 0.902 13.117 ( -0.545 0.000 -6.488) 6.511 17.524 ( -0.186 0.000 -2.891) 2.897 17.525 ( 1.688 0.000 -1.963) 2.589 17.637 ( -2.719 0.000 3.064) 4.097 17.699 ( 4.291 0.000 1.285) 4.480 18.364 ( -1.687 0.000 0.570) 1.780 18.407 ( 1.259 0.000 2.053) 2.409 18.441 ( 1.547 0.000 -1.871) 2.428 18.486 ( -0.499 0.000 -1.511) 1.592 20.869 ( 0.867 0.000 1.130) 1.424 20.974 ( -1.326 0.000 -3.465) 3.710 21.154 ( 0.230 0.000 1.112) 1.136 21.232 ( -0.202 0.000 -2.054) 2.064 21.507 ( -4.446 0.000 -2.046) 4.894 21.512 ( 3.302 0.000 -1.233) 3.524 21.654 ( -2.228 0.000 2.623) 3.442 21.696 ( 0.160 0.000 2.599) 2.604 22.633 ( 1.259 0.000 0.446) 1.336 22.690 ( -0.319 0.000 -1.598) 1.630 22.704 ( -1.203 0.000 2.673) 2.932 22.794 ( 0.124 0.000 -1.105) 1.112 29.277 ( 0.389 0.000 -0.733) 0.830 29.290 ( 0.198 0.000 -1.595) 1.607 29.316 ( -0.154 0.000 1.020) 1.032 29.348 ( 0.338 0.000 -0.239) 0.414 32.976 ( 2.291 0.000 -10.491) 10.738 33.150 ( 9.168 0.000 -8.859) 12.749 33.875 ( -15.812 0.000 4.908) 16.556 33.884 ( 21.797 0.000 11.462) 24.627 35.934 ( 0.527 0.000 -0.350) 0.633 35.941 ( -1.201 0.000 -0.221) 1.221 36.423 ( 6.730 0.000 14.567) 16.046 36.786 ( -4.638 0.000 -2.265) 5.162 39.302 ( -0.507 0.000 3.696) 3.730 39.353 ( 0.345 0.000 4.232) 4.246 39.492 ( -0.046 0.000 -4.577) 4.578 39.574 ( 0.820 0.000 -3.266) 3.367 39.853 ( -0.475 0.000 0.573) 0.744 39.882 ( 1.203 0.000 -0.123) 1.209 39.923 ( 0.615 0.000 5.374) 5.409 40.127 ( -1.503 0.000 -2.572) 2.979 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -21.766 0.000 1.464) 21.815 1.082 ( -21.000 0.000 7.536) 22.311 1.385 ( -5.385 0.000 -14.105) 15.098 1.452 ( 9.591 0.000 -6.448) 11.557 1.515 ( 1.987 0.000 -12.150) 12.311 1.600 ( -2.948 0.000 -1.693) 3.399 1.900 ( 19.324 0.000 2.316) 19.463 1.929 ( 6.820 0.000 -2.627) 7.308 2.057 ( -0.640 0.000 5.195) 5.234 2.090 ( -9.492 0.000 3.591) 10.149 2.178 ( 4.709 0.000 1.516) 4.947 2.189 ( -33.502 0.000 23.407) 40.869 2.531 ( -9.581 0.000 -1.918) 9.771 2.540 ( 3.895 0.000 4.323) 5.818 2.632 ( -8.494 0.000 -0.982) 8.551 2.689 ( -8.153 0.000 -1.603) 8.309 2.811 ( -6.218 0.000 -5.242) 8.133 3.100 ( -6.949 0.000 -8.947) 11.328 3.113 ( -9.546 0.000 -7.530) 12.158 3.208 ( 7.119 0.000 -3.003) 7.726 3.455 ( 13.448 0.000 5.326) 14.465 3.510 ( 6.100 0.000 6.520) 8.929 3.669 ( 14.975 0.000 -5.404) 15.920 3.861 ( 8.202 0.000 1.021) 8.266 4.131 ( 2.170 0.000 2.908) 3.629 4.200 ( 0.280 0.000 -2.174) 2.191 4.329 ( 0.067 0.000 -4.526) 4.526 4.436 ( 9.612 0.000 -4.702) 10.700 4.459 ( 1.335 0.000 -2.814) 3.115 4.486 ( 6.387 0.000 -1.719) 6.614 4.631 ( 0.052 0.000 6.952) 6.952 4.724 ( -1.028 0.000 7.403) 7.474 4.754 ( -1.890 0.000 0.259) 1.907 4.923 ( -5.287 0.000 -0.694) 5.333 5.096 ( -0.652 0.000 -2.951) 3.023 5.137 ( 8.489 0.000 -7.521) 11.341 5.249 ( -2.486 0.000 4.100) 4.795 5.366 ( -2.281 0.000 2.141) 3.129 5.494 ( 6.224 0.000 -1.037) 6.309 5.497 ( 5.801 0.000 0.697) 5.843 5.612 ( 1.195 0.000 4.490) 4.647 5.641 ( 0.198 0.000 2.145) 2.154 5.808 ( 3.548 0.000 0.962) 3.676 5.849 ( 3.647 0.000 1.918) 4.121 5.991 ( 1.098 0.000 2.203) 2.462 6.039 ( 0.209 0.000 1.214) 1.232 6.096 ( -0.173 0.000 -0.871) 0.888 6.234 ( -5.254 0.000 2.792) 5.950 6.366 ( -4.021 0.000 0.956) 4.133 6.394 ( 2.819 0.000 -5.347) 6.045 6.618 ( -5.936 0.000 -2.501) 6.441 6.673 ( 1.753 0.000 4.424) 4.759 6.948 ( 6.261 0.000 -3.844) 7.347 6.967 ( 1.787 0.000 -8.296) 8.487 7.089 ( -4.464 0.000 8.831) 9.896 7.659 ( -13.854 0.000 -14.276) 19.893 7.906 ( -2.438 0.000 -5.081) 5.635 7.966 ( -2.922 0.000 10.937) 11.321 8.431 ( -7.133 0.000 4.679) 8.530 8.618 ( -4.813 0.000 -7.414) 8.840 12.282 ( 0.326 0.000 8.926) 8.932 12.370 ( -1.549 0.000 9.042) 9.173 12.509 ( -0.410 0.000 -4.034) 4.055 12.631 ( -0.234 0.000 -2.523) 2.534 12.823 ( -0.056 0.000 3.046) 3.047 12.847 ( 0.298 0.000 -2.523) 2.541 12.891 ( 0.672 0.000 0.565) 0.878 13.103 ( -0.257 0.000 -6.784) 6.789 17.515 ( -0.354 0.000 -2.253) 2.281 17.566 ( 2.627 0.000 -1.577) 3.064 17.585 ( -2.621 0.000 1.905) 3.240 17.798 ( 5.665 0.000 1.919) 5.981 18.334 ( -1.218 0.000 0.219) 1.237 18.428 ( -1.742 0.000 -0.830) 1.929 18.431 ( 0.933 0.000 2.154) 2.347 18.517 ( 2.712 0.000 -2.234) 3.513 20.891 ( 1.167 0.000 1.818) 2.160 20.943 ( -1.806 0.000 -4.777) 5.107 21.161 ( 0.423 0.000 1.249) 1.319 21.224 ( -0.622 0.000 -2.797) 2.865 21.408 ( -5.128 0.000 -1.736) 5.414 21.524 ( -3.569 0.000 2.351) 4.274 21.624 ( 0.501 0.000 0.058) 0.504 21.700 ( 0.066 0.000 1.824) 1.826 22.654 ( 0.367 0.000 1.497) 1.541 22.683 ( -0.556 0.000 1.787) 1.871 22.691 ( 0.494 0.000 -2.058) 2.116 22.790 ( -0.503 0.000 -0.888) 1.020 29.287 ( 0.674 0.000 -0.507) 0.843 29.295 ( 0.437 0.000 -1.393) 1.459 29.312 ( -0.306 0.000 0.975) 1.022 29.352 ( 0.134 0.000 -0.368) 0.392 32.999 ( 0.965 0.000 -8.876) 8.929 33.200 ( -6.441 0.000 1.817) 6.693 33.826 ( 14.563 0.000 -12.152) 18.967 34.381 ( 26.822 0.000 14.197) 30.348 35.921 ( -0.547 0.000 -1.121) 1.247 35.944 ( 0.566 0.000 0.811) 0.989 36.611 ( 11.784 0.000 20.741) 23.855 36.693 ( -4.195 0.000 -5.714) 7.088 39.261 ( -2.458 0.000 4.295) 4.949 39.412 ( 3.901 0.000 3.112) 4.990 39.483 ( -0.449 0.000 -5.095) 5.115 39.592 ( 0.983 0.000 -1.954) 2.187 39.848 ( -2.738 0.000 1.555) 3.148 39.851 ( 0.276 0.000 -0.923) 0.963 40.013 ( 6.847 0.000 7.670) 10.282 40.114 ( 0.473 0.000 -2.514) 2.558 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -19.373 0.000 8.754) 21.259 0.681 ( -19.389 0.000 13.328) 23.529 1.189 ( -6.571 0.000 -13.263) 14.802 1.473 ( -5.353 0.000 -10.977) 12.212 1.476 ( -34.600 0.000 32.065) 47.173 1.577 ( 0.760 0.000 2.534) 2.645 1.738 ( 9.504 0.000 -4.981) 10.730 1.810 ( -13.864 0.000 0.481) 13.873 1.916 ( -3.836 0.000 6.563) 7.602 2.181 ( 9.469 0.000 -4.944) 10.682 2.193 ( 7.071 0.000 1.155) 7.165 2.291 ( 1.359 0.000 -1.998) 2.416 2.400 ( 0.864 0.000 -3.554) 3.657 2.508 ( -5.007 0.000 -3.961) 6.384 2.525 ( 2.046 0.000 -0.469) 2.099 2.648 ( 2.655 0.000 2.615) 3.726 2.738 ( -3.609 0.000 -3.599) 5.097 2.932 ( -8.590 0.000 -6.759) 10.930 2.966 ( -4.237 0.000 -3.338) 5.394 3.284 ( 2.049 0.000 -2.686) 3.378 3.601 ( 2.577 0.000 4.751) 5.405 3.701 ( 7.687 0.000 0.317) 7.694 3.944 ( 1.450 0.000 -0.014) 1.450 3.965 ( 14.139 0.000 -2.410) 14.343 4.189 ( 3.226 0.000 1.961) 3.775 4.221 ( 1.992 0.000 1.562) 2.531 4.278 ( -3.698 0.000 -6.077) 7.114 4.540 ( 6.346 0.000 -2.017) 6.659 4.550 ( 0.507 0.000 6.247) 6.268 4.643 ( 5.929 0.000 -0.941) 6.003 4.697 ( 0.998 0.000 -5.067) 5.165 4.712 ( 4.548 0.000 -0.711) 4.603 4.713 ( -1.091 0.000 6.681) 6.770 4.805 ( -6.554 0.000 1.210) 6.665 5.077 ( -1.031 0.000 -0.887) 1.360 5.174 ( -3.141 0.000 0.889) 3.264 5.287 ( 4.355 0.000 -3.787) 5.771 5.326 ( -1.889 0.000 3.257) 3.765 5.555 ( 1.551 0.000 -1.172) 1.944 5.610 ( 1.312 0.000 -1.056) 1.685 5.675 ( 5.619 0.000 1.903) 5.932 5.741 ( 9.028 0.000 3.905) 9.836 5.853 ( 0.978 0.000 -2.072) 2.292 5.969 ( 3.139 0.000 2.309) 3.897 6.051 ( 3.829 0.000 -0.165) 3.833 6.085 ( 12.011 0.000 10.531) 15.973 6.094 ( 0.997 0.000 -1.906) 2.151 6.157 ( -1.816 0.000 -3.243) 3.717 6.286 ( -3.104 0.000 2.357) 3.898 6.408 ( -0.820 0.000 -4.617) 4.689 6.571 ( 1.674 0.000 2.354) 2.889 6.738 ( 3.388 0.000 5.508) 6.467 6.846 ( -7.505 0.000 5.693) 9.420 7.049 ( 4.728 0.000 -6.799) 8.281 7.126 ( 1.324 0.000 -4.380) 4.576 7.270 ( -24.144 0.000 -17.620) 29.890 7.743 ( -18.689 0.000 20.373) 27.647 7.809 ( -6.111 0.000 -0.223) 6.115 8.314 ( -3.687 0.000 -0.309) 3.700 8.528 ( -3.920 0.000 -10.155) 10.885 12.293 ( -0.201 0.000 8.712) 8.715 12.331 ( -2.826 0.000 8.572) 9.026 12.514 ( 1.202 0.000 -4.645) 4.798 12.623 ( -0.459 0.000 -2.580) 2.620 12.814 ( -1.070 0.000 3.799) 3.947 12.871 ( 2.270 0.000 -4.082) 4.671 12.906 ( 0.596 0.000 0.141) 0.613 13.100 ( 0.467 0.000 -6.694) 6.710 17.511 ( 0.196 0.000 -1.385) 1.399 17.537 ( -2.165 0.000 1.145) 2.449 17.628 ( 3.456 0.000 0.348) 3.474 17.918 ( 5.335 0.000 -0.901) 5.411 18.319 ( -0.266 0.000 0.222) 0.346 18.393 ( -1.554 0.000 -0.803) 1.749 18.445 ( 0.311 0.000 2.291) 2.312 18.567 ( 2.136 0.000 -2.818) 3.537 20.886 ( -3.258 0.000 -3.801) 5.006 20.911 ( 0.445 0.000 1.863) 1.915 21.172 ( 0.628 0.000 1.180) 1.337 21.197 ( -1.656 0.000 -2.512) 3.008 21.320 ( -3.148 0.000 0.097) 3.149 21.406 ( -6.917 0.000 1.906) 7.175 21.653 ( 1.622 0.000 -0.412) 1.674 21.699 ( -0.314 0.000 0.822) 0.880 22.638 ( -1.472 0.000 3.061) 3.396 22.695 ( 1.095 0.000 0.256) 1.124 22.707 ( 1.263 0.000 -2.276) 2.603 22.774 ( -0.974 0.000 -0.819) 1.273 29.299 ( 0.269 0.000 0.098) 0.287 29.305 ( 0.634 0.000 -1.070) 1.244 29.306 ( -0.213 0.000 0.690) 0.722 29.352 ( -0.201 0.000 -0.648) 0.678 33.016 ( 1.701 0.000 -6.235) 6.463 33.027 ( -8.420 0.000 4.493) 9.544 34.278 ( 26.429 0.000 -10.959) 28.611 34.891 ( 19.948 0.000 1.629) 20.014 35.928 ( 1.698 0.000 -1.874) 2.529 35.958 ( 0.603 0.000 1.762) 1.862 36.624 ( -1.651 0.000 -6.059) 6.280 36.909 ( 12.370 0.000 11.481) 16.877 39.225 ( -1.449 0.000 4.490) 4.718 39.471 ( -0.247 0.000 -5.637) 5.643 39.496 ( 4.079 0.000 1.450) 4.329 39.603 ( 0.157 0.000 -0.590) 0.611 39.791 ( -3.041 0.000 2.164) 3.732 39.861 ( 0.799 0.000 -2.884) 2.992 40.145 ( 2.662 0.000 0.082) 2.663 40.238 ( 15.999 0.000 10.982) 19.405 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 9.705 13.034 16.139) 22.903 0.825 ( -7.961 19.894 17.814) 27.865 1.246 ( -3.576 18.821 1.115) 19.190 1.327 ( -11.740 23.838 3.150) 26.758 1.412 ( -3.778 15.070 -9.521) 18.222 1.592 ( 0.051 3.190 3.617) 4.823 1.750 ( 4.775 4.375 4.508) 7.890 1.893 ( 3.964 -1.603 -0.348) 4.290 2.014 ( -0.672 10.294 4.456) 11.237 2.151 ( -5.359 -4.257 -1.439) 6.994 2.266 ( 4.237 -0.675 -5.532) 7.001 2.313 ( 5.218 -3.298 -0.874) 6.234 2.442 ( 1.658 -1.533 -2.190) 3.146 2.481 ( 2.772 -1.712 -4.972) 5.944 2.628 ( -3.385 -0.062 1.859) 3.862 2.689 ( 4.211 3.064 -1.890) 5.541 2.745 ( 7.590 2.103 -2.652) 8.310 2.789 ( -8.451 3.744 -3.277) 9.807 3.055 ( 0.992 11.393 -3.974) 12.107 3.241 ( -0.932 -3.356 -4.681) 5.834 3.603 ( -1.045 -1.361 3.942) 4.299 3.775 ( 0.352 -0.075 -2.553) 2.578 3.904 ( -1.314 -5.063 2.815) 5.940 4.074 ( 2.631 -2.583 -6.494) 7.467 4.165 ( 1.932 -4.546 2.400) 5.491 4.209 ( 1.420 -2.507 -1.462) 3.231 4.349 ( 4.627 -0.968 1.158) 4.867 4.522 ( -5.478 -5.240 -4.660) 8.898 4.596 ( -3.205 3.748 2.837) 5.689 4.626 ( -5.848 1.043 1.944) 6.251 4.699 ( 0.110 -1.112 -0.743) 1.342 4.714 ( 1.015 0.942 2.331) 2.711 4.759 ( 4.422 2.416 0.244) 5.045 4.872 ( 4.835 1.393 -1.051) 5.140 5.018 ( 0.060 -4.744 0.390) 4.760 5.098 ( -4.856 -1.338 -0.275) 5.044 5.223 ( -0.215 -3.375 4.252) 5.433 5.243 ( -1.748 -2.426 5.655) 6.397 5.606 ( 1.722 2.935 -0.046) 3.403 5.616 ( 1.156 2.785 -1.523) 3.378 5.737 ( 2.895 -1.652 2.440) 4.130 5.766 ( -2.529 -0.664 3.237) 4.161 5.918 ( -2.390 5.124 -0.406) 5.669 6.014 ( 2.931 0.402 -4.919) 5.741 6.036 ( -3.762 -0.150 0.768) 3.843 6.108 ( 0.893 -2.503 -0.421) 2.690 6.210 ( -0.607 4.044 2.539) 4.814 6.303 ( 4.208 7.138 -1.577) 8.434 6.363 ( 0.045 2.926 -1.741) 3.405 6.416 ( 1.252 0.865 -1.549) 2.172 6.559 ( -4.256 -3.568 9.713) 11.189 6.678 ( -3.420 3.092 7.075) 8.444 6.878 ( -3.788 3.314 6.779) 8.443 7.019 ( 0.073 2.773 -2.764) 3.916 7.057 ( -3.514 -0.347 -4.842) 5.993 7.285 ( 2.490 -1.286 0.642) 2.875 7.748 ( -2.886 7.069 -1.655) 7.813 7.972 ( 28.558 5.810 -14.707) 32.644 8.310 ( -2.743 1.746 0.017) 3.252 8.451 ( -1.434 1.942 -4.754) 5.331 12.221 ( -1.550 -1.661 6.661) 7.038 12.274 ( -0.155 -3.264 7.330) 8.025 12.558 ( 1.778 -0.144 -3.051) 3.534 12.620 ( -0.690 -0.537 -4.059) 4.152 12.777 ( -1.580 -0.024 2.178) 2.690 12.908 ( 3.462 1.114 -1.907) 4.107 12.939 ( -0.156 0.573 -0.543) 0.804 13.057 ( -1.065 -4.188 -4.295) 6.093 17.502 ( -1.351 -0.368 0.500) 1.487 17.527 ( 1.177 0.249 -0.501) 1.303 17.664 ( -1.294 -2.828 3.982) 5.053 17.732 ( -6.302 -5.150 3.772) 8.970 18.339 ( 0.694 1.404 0.556) 1.662 18.378 ( -0.588 0.696 -0.672) 1.133 18.450 ( -0.602 0.325 1.977) 2.092 18.545 ( -0.819 -0.966 -1.001) 1.615 20.894 ( -0.057 -0.906 0.801) 1.210 20.907 ( 4.332 -1.828 0.931) 4.793 21.170 ( -0.591 -0.526 0.515) 0.944 21.193 ( 2.496 -1.326 0.044) 2.827 21.290 ( 0.348 0.005 0.332) 0.481 21.309 ( -0.857 -0.313 -0.296) 0.959 21.668 ( 0.814 -0.981 0.241) 1.297 21.675 ( -0.950 -1.076 -0.021) 1.435 22.564 ( -0.006 -1.870 -0.036) 1.871 22.624 ( 1.063 -5.143 -0.914) 5.330 22.777 ( 0.008 1.277 -0.364) 1.328 22.789 ( 0.049 1.383 -0.751) 1.575 29.287 ( -0.398 -0.545 0.102) 0.682 29.300 ( 0.294 -0.979 0.225) 1.047 29.307 ( 0.090 -0.791 -0.070) 0.800 29.321 ( -0.746 -0.984 0.060) 1.236 32.914 ( -3.005 0.165 2.233) 3.748 33.052 ( 3.550 -1.615 -3.170) 5.026 33.687 ( -34.223 -41.273 42.845) 68.632 34.577 ( 6.359 -22.087 -9.013) 24.688 35.951 ( -2.464 0.469 0.465) 2.551 35.983 ( 1.955 0.232 -0.585) 2.054 36.192 ( -4.840 -8.998 10.796) 14.864 36.546 ( 2.056 -12.173 -4.925) 13.291 39.402 ( 0.096 15.243 2.080) 15.384 39.491 ( 0.688 2.603 0.977) 2.865 39.594 ( -0.311 7.201 -1.422) 7.346 39.653 ( 0.720 3.047 -3.035) 4.361 39.774 ( -0.987 3.593 1.863) 4.166 39.867 ( -0.653 2.392 -0.603) 2.551 40.484 ( 1.122 32.311 15.510) 35.858 41.968 ( -11.563 61.535 -69.484) 93.532 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -2.138 19.529 15.858) 25.247 0.893 ( 12.526 16.835 10.054) 23.268 1.227 ( 2.572 2.866 -11.371) 12.005 1.357 ( 7.255 11.735 -2.229) 13.976 1.474 ( 17.255 25.948 4.502) 31.485 1.615 ( 2.372 11.705 -0.386) 11.949 1.819 ( -1.653 3.794 3.432) 5.376 1.971 ( 1.012 -1.367 -0.024) 1.701 2.033 ( -2.332 -1.788 1.685) 3.387 2.146 ( 11.725 0.766 2.665) 12.048 2.259 ( -5.209 -0.104 -2.009) 5.584 2.361 ( -1.958 0.783 -0.318) 2.132 2.436 ( 0.335 -0.284 0.545) 0.700 2.515 ( 1.568 2.262 -3.800) 4.692 2.632 ( 1.319 1.295 -2.120) 2.813 2.689 ( -0.389 3.325 1.424) 3.638 2.749 ( 7.484 -1.169 -3.602) 8.387 2.968 ( 9.618 0.090 -0.101) 9.619 3.089 ( 4.425 9.683 -7.437) 12.986 3.214 ( -0.841 -1.522 -6.253) 6.490 3.558 ( -3.943 -1.465 2.797) 5.051 3.719 ( -6.516 0.319 0.321) 6.531 3.848 ( -4.790 -5.029 2.043) 7.239 4.062 ( -6.927 -5.570 -1.943) 9.098 4.151 ( -0.198 -1.072 1.366) 1.748 4.204 ( -3.697 -1.106 -4.536) 5.955 4.367 ( -5.097 1.534 -2.789) 6.009 4.435 ( -3.431 -1.764 -0.370) 3.876 4.522 ( -0.210 -2.226 -2.001) 3.001 4.539 ( -2.705 -0.038 -1.763) 3.229 4.694 ( 2.767 0.496 -0.784) 2.919 4.743 ( -1.947 0.740 3.014) 3.663 4.834 ( 0.704 0.754 2.463) 2.670 4.930 ( 3.556 1.320 -2.961) 4.812 4.991 ( -3.693 -1.993 4.722) 6.317 5.073 ( 2.623 -1.164 -2.919) 4.093 5.231 ( 0.880 -1.299 3.443) 3.783 5.237 ( 1.227 1.060 5.356) 5.596 5.600 ( -3.439 1.620 0.467) 3.830 5.644 ( 1.733 2.372 -0.975) 3.095 5.723 ( -0.670 3.049 2.414) 3.946 5.750 ( -3.131 0.675 3.010) 4.395 5.855 ( -2.482 5.061 0.850) 5.701 5.905 ( -5.062 3.017 -1.572) 6.099 6.102 ( 0.833 4.014 -1.780) 4.470 6.119 ( 1.667 -0.245 -0.410) 1.734 6.159 ( -3.602 3.873 1.672) 5.547 6.261 ( -10.320 3.891 0.634) 11.047 6.385 ( 3.433 2.253 -3.748) 5.559 6.509 ( 1.645 -0.504 10.510) 10.650 6.537 ( 8.937 3.442 -2.587) 9.920 6.619 ( -9.846 3.045 -0.378) 10.313 6.668 ( 2.322 3.985 7.097) 8.464 7.017 ( -2.031 -0.204 -6.335) 6.656 7.231 ( 11.286 -1.322 -3.105) 11.780 7.384 ( 7.870 -3.414 0.277) 8.583 7.710 ( -1.885 6.570 -2.628) 7.322 8.208 ( -6.352 -4.565 1.919) 8.054 8.398 ( 4.410 -3.791 -3.160) 6.619 8.528 ( 12.321 -7.270 -9.316) 17.072 12.221 ( 0.733 -2.021 3.773) 4.342 12.270 ( -0.616 -4.779 6.514) 8.102 12.582 ( 0.300 -0.197 -0.179) 0.402 12.621 ( 1.494 0.976 -3.211) 3.674 12.767 ( 0.438 -0.286 -0.391) 0.653 12.907 ( -2.804 -0.017 1.009) 2.980 12.945 ( 0.302 1.508 -0.257) 1.559 13.079 ( 3.072 -4.111 -5.614) 7.606 17.483 ( -0.353 -0.861 0.047) 0.931 17.559 ( -2.719 0.516 2.103) 3.476 17.563 ( 1.748 -0.224 0.163) 1.770 17.708 ( -0.646 -0.503 4.060) 4.142 18.359 ( 1.164 1.222 0.958) 1.940 18.377 ( 0.607 0.539 -0.947) 1.248 18.434 ( -1.086 0.424 1.519) 1.914 18.530 ( -0.664 -0.118 -1.011) 1.215 20.868 ( -1.236 -0.325 -0.367) 1.330 20.984 ( 1.128 -3.918 -1.340) 4.291 21.153 ( -0.676 -0.323 0.249) 0.790 21.231 ( 0.159 -1.922 -1.462) 2.420 21.340 ( 3.642 -0.799 -0.659) 3.787 21.409 ( 9.141 -7.531 1.431) 11.930 21.645 ( -1.991 -1.117 -0.510) 2.339 21.674 ( -0.205 -1.334 0.855) 1.597 22.573 ( 0.748 -0.926 -0.310) 1.230 22.650 ( 1.513 -4.917 0.170) 5.147 22.757 ( -1.542 1.237 -0.695) 2.096 22.791 ( -0.156 0.770 -0.547) 0.957 29.279 ( -0.410 -0.304 -0.214) 0.553 29.293 ( -0.810 -0.426 -0.036) 0.916 29.306 ( 0.198 -0.874 0.573) 1.064 29.321 ( 0.399 -0.817 -0.160) 0.924 32.902 ( 1.752 0.130 -0.858) 1.956 33.007 ( -12.949 -4.260 15.095) 20.339 33.250 ( 2.161 -5.828 11.347) 12.938 34.490 ( -12.988 -15.390 0.595) 20.147 35.907 ( -0.572 0.222 -0.916) 1.102 35.992 ( -0.957 -0.089 0.329) 1.015 36.191 ( 2.535 -3.063 8.400) 9.294 36.646 ( 5.716 -14.226 -1.211) 15.379 39.403 ( -0.154 12.814 2.335) 13.025 39.485 ( -1.468 3.872 2.321) 4.748 39.580 ( -0.548 6.824 -2.631) 7.334 39.641 ( -1.462 4.927 -3.184) 6.046 39.808 ( 3.994 5.545 1.899) 7.093 39.896 ( 3.413 4.077 0.185) 5.320 40.440 ( -6.301 30.626 13.219) 33.947 41.235 ( -39.842 65.774 -31.109) 82.954 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 11.422 12.989 2.838) 17.529 1.155 ( 14.870 12.244 3.108) 19.511 1.363 ( 9.845 1.857 -7.359) 12.431 1.463 ( 5.562 5.022 -9.529) 12.123 1.635 ( -2.335 7.215 -4.993) 9.079 1.696 ( -7.067 0.003 -0.617) 7.094 1.849 ( -8.395 5.613 3.075) 10.556 1.982 ( 15.962 7.464 5.416) 18.435 2.078 ( -6.653 4.329 -1.083) 8.011 2.127 ( 10.383 7.310 4.708) 13.543 2.233 ( -2.950 0.293 1.214) 3.203 2.360 ( 0.482 4.650 6.911) 8.343 2.459 ( 1.049 0.380 1.010) 1.505 2.598 ( 5.668 4.130 2.734) 7.527 2.709 ( 5.127 0.643 -2.344) 5.674 2.771 ( 9.905 3.809 -3.849) 11.289 2.952 ( 11.147 -4.147 -4.743) 12.805 3.053 ( 3.205 -0.600 -0.327) 3.277 3.212 ( 1.931 0.421 -4.958) 5.338 3.274 ( 10.365 2.163 -5.603) 11.980 3.444 ( -7.412 -0.143 1.042) 7.486 3.501 ( -15.070 2.242 7.658) 17.052 3.680 ( -12.867 -3.368 -2.517) 13.536 3.803 ( -16.440 -3.541 1.928) 16.927 4.082 ( -3.980 0.167 -1.930) 4.426 4.203 ( 3.268 2.422 -2.043) 4.552 4.308 ( -1.225 1.369 -5.107) 5.427 4.359 ( -2.937 0.481 -2.301) 3.762 4.471 ( -2.958 -1.951 -2.044) 4.091 4.537 ( -0.493 2.795 -3.182) 4.264 4.676 ( -2.735 2.270 5.992) 6.966 4.765 ( 1.518 -3.244 1.013) 3.723 4.825 ( 1.304 0.474 -1.297) 1.899 4.909 ( -3.807 1.038 11.058) 11.741 5.018 ( 2.548 0.089 -7.854) 8.258 5.112 ( 1.784 0.262 -3.657) 4.077 5.268 ( 1.820 3.578 4.448) 5.992 5.293 ( 4.171 1.437 1.956) 4.826 5.508 ( -4.304 1.502 1.441) 4.781 5.635 ( -7.253 3.498 1.161) 8.135 5.688 ( 2.320 3.896 -1.220) 4.696 5.707 ( -1.476 6.073 1.238) 6.371 5.819 ( -2.367 4.426 2.968) 5.831 5.854 ( -0.569 5.991 2.092) 6.371 6.058 ( -2.631 5.331 2.399) 6.411 6.060 ( -3.322 2.503 2.471) 4.837 6.127 ( -3.011 1.794 -1.241) 3.718 6.191 ( 3.424 -3.622 -4.969) 7.037 6.448 ( 0.063 -1.531 -2.375) 2.827 6.502 ( -1.777 3.265 1.835) 4.146 6.530 ( 0.948 -1.533 3.945) 4.337 6.736 ( 3.194 4.353 3.646) 6.515 6.757 ( 11.807 6.881 -5.396) 14.693 6.950 ( -4.389 4.105 -3.570) 6.990 7.331 ( 0.231 -4.686 0.987) 4.794 7.617 ( 7.788 0.316 4.647) 9.075 7.698 ( 6.243 -1.930 -12.673) 14.258 8.054 ( -7.945 -6.193 2.569) 10.396 8.464 ( 2.615 -1.752 1.200) 3.368 8.632 ( -0.174 -13.755 -3.807) 14.273 12.231 ( -0.095 -3.344 4.983) 6.002 12.261 ( -0.610 -6.273 5.793) 8.561 12.580 ( -0.356 0.280 0.840) 0.955 12.657 ( 1.851 2.219 -3.153) 4.277 12.779 ( 0.384 -0.857 0.330) 0.995 12.846 ( -2.482 -2.393 0.052) 3.448 12.944 ( -0.458 2.087 1.011) 2.364 13.129 ( 1.982 -0.204 -5.673) 6.013 17.493 ( 1.223 -0.587 -1.537) 2.050 17.535 ( -0.202 0.807 -1.989) 2.156 17.619 ( 3.207 -0.265 0.570) 3.268 17.681 ( -2.118 -0.415 3.828) 4.395 18.382 ( 0.832 0.653 0.827) 1.343 18.395 ( 0.563 0.167 1.112) 1.257 18.418 ( 0.265 1.020 -0.967) 1.430 18.511 ( -1.151 0.090 -1.128) 1.614 20.855 ( -0.028 -0.339 0.110) 0.358 20.977 ( -0.995 -2.517 -2.074) 3.410 21.147 ( 0.009 -0.282 0.648) 0.707 21.227 ( -0.257 -1.192 -1.639) 2.042 21.421 ( 4.339 -0.985 -1.275) 4.628 21.534 ( 1.870 -5.813 0.840) 6.164 21.608 ( -0.419 -3.411 0.384) 3.458 21.661 ( -1.298 -2.000 1.473) 2.803 22.596 ( 1.611 -0.483 0.369) 1.721 22.679 ( 1.059 -3.139 1.417) 3.603 22.721 ( -1.920 0.627 -0.812) 2.177 22.781 ( -0.682 -0.656 -0.869) 1.285 29.273 ( -0.124 -0.191 -0.513) 0.561 29.284 ( -0.177 -0.433 -0.862) 0.981 29.309 ( 0.069 -0.807 0.721) 1.084 29.329 ( 0.369 -1.003 -0.162) 1.081 32.903 ( 0.613 -2.125 -0.790) 2.349 32.981 ( 6.244 -0.558 -5.315) 8.218 33.429 ( 12.105 -7.414 6.439) 15.587 34.152 ( -19.480 -11.308 5.186) 23.114 35.914 ( 0.888 -0.434 -0.941) 1.365 35.965 ( -1.513 -0.133 0.267) 1.542 36.265 ( 3.940 -3.382 8.703) 10.134 36.707 ( 0.275 -12.832 -0.779) 12.859 39.402 ( -0.070 8.336 2.836) 8.805 39.447 ( -2.163 7.731 3.205) 8.644 39.575 ( 0.210 6.112 -3.374) 6.984 39.610 ( -1.159 4.279 -2.953) 5.326 39.916 ( 6.352 9.630 2.118) 11.729 39.990 ( 5.667 11.979 1.290) 13.314 40.289 ( -8.347 25.793 5.443) 27.650 40.633 ( -20.201 39.926 -8.986) 45.639 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 17.106 5.244 -7.880) 19.550 1.405 ( -15.262 1.719 -0.092) 15.358 1.469 ( -7.584 1.500 0.876) 7.780 1.478 ( 13.485 3.382 -1.413) 13.974 1.554 ( -0.024 2.162 -8.595) 8.863 1.591 ( 8.123 5.428 -3.011) 10.223 1.807 ( -1.492 9.371 -2.912) 9.926 1.843 ( -5.445 5.007 -2.149) 7.703 2.089 ( -1.714 2.961 4.590) 5.725 2.132 ( -2.262 -0.654 2.784) 3.647 2.306 ( -4.237 5.392 6.827) 9.676 2.481 ( 2.891 6.668 1.464) 7.414 2.592 ( 13.160 6.479 4.886) 15.460 2.683 ( -0.422 -0.019 3.025) 3.054 2.722 ( -2.268 3.518 -2.898) 5.091 2.946 ( 3.225 1.444 -3.025) 4.652 3.023 ( -7.606 1.776 7.001) 10.489 3.111 ( -7.610 0.444 -0.341) 7.631 3.167 ( -6.184 4.066 -7.911) 10.833 3.259 ( 0.354 -0.684 1.135) 1.372 3.350 ( 6.300 -1.851 -0.941) 6.634 3.423 ( -6.319 -0.713 -0.669) 6.394 3.467 ( -3.171 -2.197 -1.657) 4.199 3.618 ( 9.139 0.471 -1.699) 9.307 4.062 ( 1.078 -1.089 0.933) 1.794 4.251 ( 1.063 3.743 -2.371) 4.556 4.292 ( -0.899 -0.853 -6.778) 6.890 4.336 ( 2.079 1.539 -2.892) 3.880 4.430 ( -0.085 -0.262 0.200) 0.340 4.514 ( -0.704 3.435 -2.576) 4.350 4.668 ( 0.621 3.135 5.900) 6.710 4.743 ( -1.810 -0.416 2.898) 3.442 4.832 ( -4.367 1.979 8.460) 9.724 4.917 ( 5.492 -3.861 -2.152) 7.050 5.021 ( -0.851 0.369 -7.255) 7.314 5.140 ( 0.901 1.955 -4.059) 4.595 5.295 ( 0.047 3.218 4.445) 5.488 5.386 ( 4.619 1.218 1.443) 4.990 5.470 ( 0.104 2.869 1.736) 3.354 5.495 ( -5.300 3.582 1.679) 6.614 5.672 ( -1.917 4.750 0.110) 5.124 5.695 ( -1.585 5.927 1.006) 6.217 5.830 ( 4.448 6.240 1.753) 7.861 5.876 ( 2.213 7.715 1.435) 8.154 6.014 ( -1.479 2.745 3.007) 4.332 6.026 ( -1.830 -0.200 0.331) 1.870 6.117 ( 1.856 2.084 -0.389) 2.818 6.246 ( 2.023 -4.467 -2.925) 5.710 6.394 ( -3.257 0.342 -0.458) 3.307 6.479 ( -1.360 5.534 3.655) 6.770 6.559 ( 0.011 -4.097 -1.207) 4.271 6.796 ( 2.626 0.639 -3.118) 4.126 6.844 ( -4.775 6.866 -0.435) 8.374 6.984 ( 10.982 9.003 -5.852) 15.360 7.249 ( -8.135 0.763 7.202) 10.891 7.675 ( 1.461 -10.725 -5.196) 12.007 7.794 ( -4.216 -7.434 1.196) 8.630 8.023 ( 7.597 2.422 -8.077) 11.350 8.454 ( -4.960 -5.477 5.641) 9.296 8.597 ( -1.762 -11.361 -2.972) 11.875 12.232 ( -0.055 -3.875 6.296) 7.393 12.255 ( -0.411 -7.165 5.503) 9.044 12.568 ( -0.880 0.745 0.799) 1.403 12.677 ( 0.178 2.241 -2.988) 3.739 12.765 ( -1.143 -2.339 1.341) 2.929 12.838 ( 1.230 -2.108 -1.305) 2.768 12.930 ( -0.892 3.308 1.684) 3.818 13.147 ( 0.210 1.936 -5.540) 5.872 17.522 ( 1.789 -0.266 -2.087) 2.762 17.529 ( -0.358 0.455 -2.718) 2.779 17.633 ( -2.590 -0.400 2.946) 3.943 17.691 ( 3.666 -0.808 1.274) 3.965 18.369 ( -1.404 0.501 0.647) 1.625 18.412 ( 1.014 0.528 2.084) 2.377 18.448 ( 1.717 0.644 -1.958) 2.683 18.487 ( -0.758 0.136 -1.178) 1.408 20.864 ( 0.774 -0.483 0.999) 1.353 20.953 ( -1.230 -1.973 -2.816) 3.652 21.151 ( 0.217 -0.282 0.999) 1.060 21.220 ( -0.292 -1.136 -1.822) 2.167 21.488 ( -3.598 -1.659 -1.124) 4.118 21.499 ( 2.430 -1.199 -0.977) 2.880 21.623 ( -2.136 -2.850 1.844) 4.010 21.642 ( 1.748 -4.218 2.005) 4.987 22.629 ( 0.955 -0.244 0.533) 1.121 22.682 ( -0.702 -1.421 1.347) 2.080 22.688 ( -1.058 -0.474 -0.179) 1.173 22.775 ( 0.335 -1.711 -1.221) 2.128 29.274 ( 0.281 -0.266 -0.630) 0.740 29.283 ( 0.132 -0.593 -1.122) 1.276 29.309 ( -0.097 -0.694 0.792) 1.058 29.335 ( 0.233 -1.171 -0.191) 1.209 32.939 ( 2.255 -3.084 -7.080) 8.045 33.131 ( 8.420 -1.842 -8.478) 12.090 33.691 ( 8.923 -14.763 11.672) 20.828 33.814 ( -8.342 -8.183 3.257) 12.130 35.927 ( -0.164 -0.331 -0.149) 0.398 35.942 ( -0.226 -0.008 -0.321) 0.392 36.345 ( 3.031 -6.275 10.923) 12.957 36.675 ( -2.489 -9.862 -3.152) 10.648 39.401 ( -0.595 5.600 3.079) 6.419 39.421 ( -0.201 9.895 3.045) 10.355 39.581 ( 0.582 5.251 -3.079) 6.115 39.594 ( -0.214 3.834 -3.012) 4.880 40.026 ( 1.083 14.028 2.137) 14.231 40.077 ( 1.478 18.621 6.027) 19.628 40.171 ( -2.375 23.339 -1.566) 23.512 40.417 ( 2.014 24.135 -5.304) 24.793 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -19.633 6.235 1.854) 20.683 1.189 ( -13.830 11.198 7.073) 19.149 1.426 ( 14.182 1.131 -11.794) 18.480 1.507 ( -4.925 3.685 -9.416) 11.247 1.615 ( -6.450 7.570 -5.436) 11.334 1.681 ( 4.213 8.049 2.100) 9.324 1.885 ( 15.969 -0.663 3.307) 16.322 1.930 ( 6.574 -3.299 -3.115) 7.988 2.029 ( -4.804 5.119 0.077) 7.021 2.150 ( 3.731 -1.226 1.518) 4.211 2.177 ( -11.495 5.418 6.026) 14.064 2.334 ( -22.733 11.525 14.457) 29.302 2.532 ( -8.591 -2.214 2.383) 9.186 2.574 ( -1.434 3.518 1.874) 4.236 2.688 ( -9.919 5.765 -2.938) 11.842 2.737 ( -4.909 4.609 -1.930) 7.005 2.869 ( -8.952 5.735 -2.711) 10.971 3.096 ( -5.213 1.877 -8.591) 10.223 3.121 ( -1.672 -2.675 -4.133) 5.199 3.185 ( 0.240 -0.145 -6.523) 6.529 3.474 ( 14.246 1.912 4.850) 15.170 3.507 ( 6.094 -0.361 5.715) 8.362 3.661 ( 14.514 -0.542 -4.792) 15.294 3.827 ( 7.841 -3.744 1.963) 8.908 4.083 ( 0.488 -1.951 -0.909) 2.206 4.259 ( 0.703 1.833 -0.821) 2.128 4.285 ( -0.003 -1.052 -2.318) 2.546 4.416 ( 5.353 -2.545 -6.230) 8.598 4.484 ( 5.520 3.116 -0.830) 6.393 4.540 ( 4.355 3.011 -2.559) 5.881 4.682 ( 0.147 3.813 5.668) 6.833 4.710 ( -2.051 -2.931 0.683) 3.642 4.766 ( -2.285 2.996 6.681) 7.671 4.924 ( -4.145 -0.619 0.813) 4.270 5.075 ( 5.423 -4.762 -6.818) 9.928 5.127 ( -1.492 1.898 -3.015) 3.863 5.266 ( -2.691 2.033 4.043) 5.265 5.368 ( -4.967 -0.934 3.360) 6.069 5.488 ( 4.506 1.776 1.855) 5.187 5.570 ( 6.128 1.389 1.841) 6.547 5.641 ( 0.135 5.042 -1.477) 5.255 5.676 ( -0.484 6.310 2.023) 6.644 5.910 ( 1.522 5.521 -1.671) 5.965 5.941 ( 2.688 4.841 -0.985) 5.624 6.005 ( 3.131 3.842 6.257) 7.982 6.037 ( 3.033 2.390 0.731) 3.930 6.153 ( 0.890 4.384 0.527) 4.505 6.256 ( -0.376 -0.914 0.188) 1.006 6.335 ( -2.706 -0.310 -1.100) 2.938 6.467 ( -0.839 6.802 -2.405) 7.263 6.533 ( -0.220 -3.794 1.289) 4.013 6.722 ( -4.850 3.153 1.708) 6.031 6.887 ( 3.816 -1.291 -5.984) 7.214 7.058 ( -10.087 -0.561 8.513) 13.211 7.176 ( 7.727 11.165 -6.067) 14.872 7.583 ( -8.679 -5.841 -11.613) 15.630 7.730 ( -2.428 -10.252 5.022) 11.671 8.116 ( -3.706 7.330 2.087) 8.475 8.332 ( -3.168 -8.369 0.259) 8.953 8.552 ( -2.866 -6.388 -3.430) 7.796 12.242 ( 0.593 -3.586 6.848) 7.753 12.254 ( -0.088 -6.743 5.704) 8.832 12.549 ( -0.993 0.486 -0.323) 1.152 12.662 ( -1.058 0.927 -3.838) 4.088 12.762 ( 0.844 -2.026 0.098) 2.197 12.861 ( 0.450 -1.479 1.256) 1.992 12.918 ( -0.062 3.244 0.071) 3.245 13.133 ( -1.161 2.085 -5.151) 5.677 17.518 ( -0.451 0.251 -2.268) 2.326 17.563 ( 2.389 -0.302 -1.560) 2.869 17.583 ( -2.343 -0.191 1.734) 2.921 17.767 ( 3.619 -2.696 2.239) 5.037 18.344 ( -0.991 0.973 0.245) 1.410 18.423 ( -0.598 -0.018 1.330) 1.458 18.448 ( -0.239 1.168 0.060) 1.193 18.511 ( 2.309 -0.486 -1.861) 3.005 20.883 ( 0.957 -0.753 1.483) 1.920 20.923 ( -1.689 -1.728 -3.512) 4.263 21.157 ( 0.350 -0.368 1.108) 1.219 21.210 ( -0.759 -1.274 -2.168) 2.627 21.396 ( -4.717 -0.925 -0.645) 4.849 21.499 ( -3.932 -2.331 1.698) 4.876 21.606 ( 1.326 -1.511 -0.355) 2.042 21.672 ( 0.997 -2.544 1.462) 3.099 22.616 ( -1.586 -2.308 0.269) 2.813 22.644 ( -2.277 -2.587 1.560) 3.783 22.713 ( 2.313 0.991 -0.927) 2.681 22.786 ( 0.617 -0.628 -0.672) 1.107 29.281 ( 0.468 -0.554 -0.444) 0.850 29.287 ( 0.383 -0.679 -0.956) 1.234 29.306 ( -0.229 -0.579 0.720) 0.952 29.337 ( 0.008 -1.300 -0.211) 1.317 32.970 ( 1.416 -2.520 -6.811) 7.399 33.179 ( -5.747 -2.191 0.988) 6.229 33.716 ( 11.201 -10.575 -7.541) 17.151 34.041 ( 14.540 -26.455 14.909) 33.669 35.914 ( -0.355 -0.164 -0.715) 0.815 35.954 ( 0.843 0.450 0.250) 0.988 36.379 ( -0.961 -12.657 12.119) 17.550 36.630 ( -1.561 -8.444 -3.747) 9.369 39.392 ( -0.207 12.311 2.588) 12.582 39.437 ( 1.214 3.540 2.747) 4.643 39.587 ( 0.214 8.143 -2.531) 8.530 39.601 ( 1.110 0.684 -2.739) 3.034 39.941 ( -5.920 8.711 2.080) 10.735 40.016 ( -5.846 12.636 -0.170) 13.924 40.246 ( 7.171 23.444 5.171) 25.055 40.736 ( 28.678 45.093 -7.942) 54.026 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -15.820 10.752 7.727) 20.630 0.971 ( -8.923 21.218 12.137) 26.022 1.374 ( -6.501 10.981 -6.678) 14.403 1.486 ( -3.328 1.196 -8.105) 8.843 1.640 ( 2.568 8.422 -3.267) 9.392 1.689 ( -15.913 14.359 13.794) 25.489 1.758 ( -14.053 6.546 5.424) 16.425 1.845 ( -3.148 5.816 2.406) 7.037 2.085 ( -4.169 10.794 3.484) 12.085 2.100 ( 8.344 -4.805 -5.573) 11.125 2.162 ( 6.280 -2.353 1.481) 6.868 2.280 ( 5.845 -2.798 -0.270) 6.485 2.362 ( -3.413 -4.230 -3.139) 6.277 2.508 ( -4.358 1.682 -2.688) 5.389 2.579 ( 0.636 4.182 -2.676) 5.005 2.682 ( -0.732 3.992 1.625) 4.372 2.753 ( -4.380 1.744 -1.794) 5.044 2.965 ( -8.125 2.553 -5.821) 10.316 3.052 ( -0.880 9.114 -5.154) 10.507 3.234 ( 2.008 -4.303 -4.255) 6.376 3.592 ( 2.091 -0.815 4.945) 5.431 3.710 ( 7.161 0.882 -0.480) 7.231 3.887 ( 4.127 -5.353 1.234) 6.871 3.956 ( 9.151 -1.425 -2.201) 9.519 4.103 ( 2.283 -3.135 -1.466) 4.146 4.237 ( -3.332 -2.282 -2.126) 4.564 4.294 ( 1.711 2.546 0.291) 3.081 4.531 ( 6.222 -4.093 -2.678) 7.915 4.591 ( 3.093 -0.434 -2.468) 3.981 4.643 ( 0.312 3.273 2.876) 4.368 4.672 ( 0.842 -0.034 -1.867) 2.049 4.722 ( 5.629 1.401 -0.294) 5.808 4.744 ( 0.140 1.959 6.207) 6.510 4.815 ( -6.590 0.396 1.005) 6.678 5.058 ( -3.177 -3.420 -1.311) 4.848 5.160 ( -0.003 -2.595 -3.177) 4.102 5.229 ( -0.460 -1.252 3.899) 4.121 5.284 ( -3.400 -2.598 3.928) 5.808 5.569 ( 2.710 -0.087 3.641) 4.539 5.597 ( 0.293 2.725 -2.297) 3.576 5.678 ( 1.750 4.498 0.305) 4.836 5.752 ( 5.057 0.073 3.461) 6.129 5.903 ( 0.990 0.966 -2.517) 2.872 5.992 ( 0.727 5.275 -0.611) 5.359 6.060 ( 1.702 -1.243 -0.647) 2.205 6.128 ( -1.648 3.116 0.815) 3.618 6.148 ( 4.535 1.316 2.762) 5.470 6.252 ( 0.150 5.031 -2.350) 5.554 6.349 ( 3.926 7.745 5.526) 10.293 6.422 ( -1.306 1.821 -2.707) 3.514 6.576 ( 1.314 0.827 1.229) 1.980 6.684 ( 1.975 -3.655 4.482) 6.112 6.836 ( -5.611 2.036 5.580) 8.171 7.000 ( 3.372 -1.010 -5.103) 6.199 7.203 ( -6.502 3.716 -3.266) 8.170 7.435 ( -6.821 6.334 -10.796) 14.255 7.672 ( 0.421 -0.614 2.836) 2.932 7.892 ( -12.658 3.024 6.746) 14.659 8.342 ( 0.444 3.235 -2.807) 4.306 8.490 ( -2.424 -3.745 -6.476) 7.864 12.249 ( -1.062 -4.325 7.400) 8.637 12.263 ( 0.677 -3.207 6.993) 7.723 12.537 ( 0.227 -0.120 -2.469) 2.483 12.639 ( -0.885 -0.105 -5.285) 5.360 12.792 ( 1.211 -1.267 1.096) 2.067 12.856 ( 0.184 0.023 1.140) 1.155 12.931 ( 0.929 0.880 -1.621) 2.065 13.097 ( -2.007 0.108 -4.470) 4.901 17.513 ( 0.138 0.106 -1.317) 1.329 17.537 ( -2.017 -0.066 1.103) 2.300 17.622 ( 3.106 -0.558 -0.109) 3.157 17.815 ( 0.014 -7.162 2.877) 7.719 18.333 ( -0.137 1.306 0.220) 1.332 18.398 ( -1.370 0.519 -0.167) 1.474 18.453 ( 0.162 0.589 1.757) 1.860 18.547 ( 1.046 -1.375 -1.596) 2.352 20.874 ( -1.790 -0.851 -1.832) 2.699 20.905 ( 0.265 -0.656 1.220) 1.410 21.166 ( 0.485 -0.563 0.845) 1.125 21.188 ( -1.014 -0.793 -1.332) 1.852 21.318 ( -2.795 -0.122 0.261) 2.810 21.389 ( -6.052 -1.515 1.086) 6.332 21.642 ( 1.750 -0.991 -0.355) 2.042 21.683 ( 0.082 -1.505 0.672) 1.651 22.581 ( -1.670 -2.898 1.396) 3.625 22.616 ( -0.368 -4.220 -0.922) 4.335 22.755 ( 1.789 1.648 -0.607) 2.507 22.793 ( 0.024 0.535 -0.536) 0.758 29.289 ( 0.273 -0.844 -0.043) 0.888 29.295 ( 0.305 -0.804 -0.418) 0.956 29.303 ( -0.029 -0.462 0.298) 0.551 29.334 ( -0.384 -1.391 -0.164) 1.452 32.992 ( 0.410 -1.749 -3.125) 3.605 33.027 ( -6.082 -0.590 1.802) 6.371 33.983 ( 5.314 -30.767 14.748) 34.530 34.317 ( 14.729 -32.373 -0.856) 35.576 35.927 ( 1.927 0.292 -1.114) 2.245 35.970 ( 0.652 0.704 0.632) 1.149 36.318 ( -5.883 -16.770 11.241) 21.029 36.586 ( -3.340 -11.942 -3.541) 12.896 39.396 ( 0.328 15.386 2.201) 15.546 39.466 ( 1.497 1.811 1.691) 2.895 39.592 ( 0.383 8.455 -1.795) 8.652 39.627 ( 1.644 0.705 -2.514) 3.085 39.835 ( -4.710 4.314 1.842) 6.647 39.916 ( -3.899 5.601 -1.207) 6.931 40.392 ( 6.387 29.589 10.783) 32.134 41.505 ( 46.162 61.499 -32.570) 83.510 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 6.220 15.285 12.651) 20.793 1.204 ( -7.459 18.074 9.917) 21.923 1.419 ( -4.926 6.910 -11.309) 14.139 1.597 ( -4.925 3.775 -0.731) 6.248 1.669 ( 5.978 9.170 -1.338) 11.028 1.820 ( 4.872 0.060 -3.857) 6.214 1.926 ( -2.310 5.098 9.790) 11.277 2.029 ( -3.579 -2.840 -3.983) 6.061 2.059 ( 0.529 12.853 -4.834) 13.742 2.160 ( -1.403 4.054 4.247) 6.037 2.227 ( 4.317 3.975 2.810) 6.507 2.258 ( 4.111 -1.841 -2.231) 5.026 2.398 ( 4.717 -0.468 -5.134) 6.988 2.428 ( -2.322 -2.050 -3.979) 5.042 2.651 ( 1.131 2.567 3.572) 4.542 2.768 ( -6.016 4.645 1.544) 7.756 2.834 ( 3.232 6.004 -4.547) 8.196 2.956 ( -1.781 12.559 2.819) 12.994 3.161 ( 0.484 -3.251 -5.771) 6.641 3.364 ( 1.806 16.793 -8.200) 18.776 3.583 ( -1.487 -0.328 4.541) 4.790 3.734 ( -0.837 -5.588 -0.851) 5.714 3.807 ( 0.384 -2.812 1.868) 3.397 3.952 ( 0.433 -9.528 -1.708) 9.689 4.126 ( 1.615 1.781 -2.590) 3.533 4.199 ( 0.603 0.531 -2.505) 2.631 4.316 ( 1.306 -2.084 -0.614) 2.535 4.389 ( -0.910 -6.282 -2.332) 6.762 4.585 ( -5.246 -2.169 4.191) 7.056 4.661 ( -0.164 -1.376 1.386) 1.960 4.715 ( -2.326 2.948 -2.105) 4.305 4.742 ( -1.250 0.490 2.337) 2.695 4.837 ( 7.288 0.703 -0.352) 7.331 4.846 ( 3.191 1.571 -3.823) 5.222 4.930 ( -0.700 -2.021 3.276) 3.912 5.036 ( -2.862 -4.546 1.032) 5.470 5.210 ( -0.368 2.244 2.933) 3.711 5.281 ( 0.121 3.949 2.613) 4.737 5.642 ( 0.471 -1.517 1.123) 1.945 5.667 ( 0.894 2.269 0.020) 2.439 5.748 ( 0.733 2.725 -1.598) 3.243 5.788 ( -1.038 1.812 -1.545) 2.598 5.980 ( -0.249 1.204 0.607) 1.371 5.994 ( 3.262 -0.340 0.644) 3.343 6.058 ( -1.862 3.209 2.180) 4.303 6.123 ( -0.411 2.502 -0.673) 2.624 6.239 ( -1.152 -1.358 3.496) 3.923 6.365 ( -0.655 -1.842 -0.701) 2.077 6.445 ( 0.939 2.168 5.109) 5.629 6.491 ( 2.300 10.016 -1.120) 10.338 6.582 ( -1.049 6.261 2.351) 6.770 6.700 ( 2.763 -1.058 0.342) 2.978 6.964 ( -3.112 0.031 7.570) 8.184 7.017 ( -1.814 0.546 -3.359) 3.857 7.108 ( -7.553 5.440 0.804) 9.343 7.341 ( 2.154 6.933 1.456) 7.404 7.801 ( 0.643 -1.592 -1.093) 2.035 8.021 ( 10.030 0.362 -12.542) 16.064 8.335 ( -4.898 1.080 1.488) 5.232 8.504 ( 2.438 2.677 -4.030) 5.417 12.165 ( -0.930 -3.150 5.898) 6.751 12.234 ( 0.072 -0.782 2.457) 2.580 12.528 ( 3.042 -2.979 -3.404) 5.451 12.558 ( -0.060 -4.961 -3.880) 6.298 12.797 ( -2.251 1.707 0.431) 2.858 12.888 ( 3.270 -3.320 -2.055) 5.093 12.961 ( 2.128 2.485 1.769) 3.719 13.024 ( -5.086 0.669 0.540) 5.158 17.485 ( -1.762 -1.016 1.467) 2.508 17.533 ( 1.018 0.280 -0.933) 1.409 17.616 ( -2.673 -1.267 2.637) 3.963 17.677 ( 0.814 -1.802 0.941) 2.190 18.376 ( 0.522 1.935 0.491) 2.063 18.395 ( -0.474 1.011 0.594) 1.265 18.461 ( -0.581 0.840 0.841) 1.323 18.525 ( -0.009 -1.083 -0.914) 1.417 20.873 ( 1.145 -0.825 0.678) 1.566 20.884 ( -0.226 -0.839 0.136) 0.880 21.158 ( -0.308 -0.669 0.293) 0.792 21.170 ( 0.564 -1.025 -0.080) 1.173 21.292 ( 0.058 0.076 0.104) 0.141 21.302 ( -0.418 -0.355 -0.218) 0.590 21.642 ( 0.571 -1.466 0.147) 1.580 21.647 ( -0.650 -1.599 -0.021) 1.726 22.526 ( 0.664 -2.095 -0.398) 2.233 22.570 ( 0.476 0.212 -1.908) 1.978 22.785 ( -0.268 -0.402 0.041) 0.485 22.799 ( 0.253 -0.286 -0.481) 0.614 29.270 ( 0.003 -1.035 0.070) 1.037 29.280 ( 0.048 -0.788 -0.121) 0.798 29.291 ( 0.105 -0.821 0.078) 0.831 29.300 ( -0.369 -1.072 0.030) 1.134 32.919 ( -2.366 0.382 1.498) 2.826 33.009 ( 2.061 -2.557 -1.912) 3.801 33.171 ( -12.503 -15.510 24.648) 31.692 34.032 ( 6.972 -28.834 -11.631) 31.863 35.960 ( -2.052 0.352 0.256) 2.098 35.991 ( 1.329 0.608 -0.584) 1.574 36.084 ( 0.390 -3.643 5.480) 6.592 36.322 ( 0.251 -9.176 -3.979) 10.005 39.542 ( 0.017 2.871 1.866) 3.424 39.625 ( -0.213 4.414 -1.259) 4.595 39.721 ( -0.461 4.494 0.083) 4.518 39.792 ( 1.846 6.784 -3.050) 7.663 39.930 ( 0.461 12.862 1.925) 13.014 40.029 ( -1.676 15.152 -0.525) 15.254 41.193 ( 0.611 34.524 20.268) 40.038 42.609 ( -3.038 12.455 -39.528) 41.554 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.281 13.783 11.096) 17.740 1.202 ( 11.379 16.865 6.706) 21.422 1.341 ( -0.650 8.388 -8.409) 11.895 1.568 ( 2.484 9.253 -6.218) 11.422 1.778 ( 0.214 1.116 -0.626) 1.297 1.828 ( -5.662 0.590 3.337) 6.599 1.955 ( 6.969 5.490 -3.645) 9.592 1.998 ( 2.361 4.021 3.045) 5.569 2.148 ( 5.386 2.447 -1.052) 6.008 2.202 ( -1.535 2.696 -0.970) 3.250 2.209 ( 5.562 6.096 0.409) 8.262 2.338 ( 4.173 8.260 3.116) 9.765 2.424 ( 0.541 -1.950 -0.745) 2.157 2.558 ( 10.790 0.644 -6.129) 12.426 2.646 ( -2.054 0.734 -1.837) 2.851 2.708 ( 2.191 2.812 4.234) 5.535 2.886 ( 0.557 6.466 -1.332) 6.625 2.980 ( 3.353 3.973 0.218) 5.203 3.171 ( 1.931 -0.228 -6.025) 6.331 3.372 ( -0.324 14.529 -6.642) 15.978 3.534 ( -3.787 -0.689 3.150) 4.974 3.698 ( -3.355 -4.491 -1.153) 5.723 3.745 ( -6.662 -3.001 4.547) 8.606 3.897 ( -6.163 -9.615 -0.604) 11.437 4.155 ( 1.029 0.307 -2.039) 2.304 4.204 ( 0.245 1.596 -3.571) 3.919 4.343 ( -2.813 -3.644 -1.568) 4.863 4.383 ( 2.376 -2.363 -1.929) 3.866 4.494 ( -1.570 -1.034 -0.823) 2.052 4.566 ( -4.637 3.389 -1.021) 5.834 4.720 ( -0.118 0.339 2.029) 2.061 4.765 ( 1.759 1.104 0.849) 2.243 4.842 ( -4.109 0.279 3.025) 5.110 4.935 ( 2.123 -1.762 -0.840) 2.884 4.969 ( 3.852 -0.170 1.373) 4.093 5.004 ( 0.782 -3.388 -1.005) 3.620 5.238 ( 3.214 2.565 1.944) 4.548 5.311 ( 2.539 4.389 3.175) 5.982 5.618 ( -3.291 -0.051 1.320) 3.546 5.664 ( -0.186 -0.372 0.611) 0.739 5.764 ( 1.486 -0.152 -0.990) 1.792 5.824 ( 3.271 5.268 -1.113) 6.300 5.909 ( -3.485 2.791 0.024) 4.464 5.993 ( -4.126 5.833 -0.846) 7.194 6.074 ( 1.901 -2.438 3.242) 4.480 6.160 ( 0.904 2.806 -0.693) 3.028 6.220 ( 0.303 0.387 4.033) 4.063 6.346 ( -6.818 2.003 -1.931) 7.363 6.423 ( 0.206 1.502 3.496) 3.810 6.540 ( 2.454 5.945 5.964) 8.771 6.635 ( 6.088 4.315 -0.214) 7.465 6.671 ( -3.630 4.494 -3.465) 6.737 6.853 ( 1.131 7.830 8.102) 11.324 6.986 ( -1.373 -0.328 -7.446) 7.579 7.211 ( 8.030 -0.498 -1.883) 8.263 7.389 ( 4.716 3.900 1.558) 6.314 7.755 ( -5.260 -2.251 -0.991) 5.806 8.138 ( -2.487 -5.195 -0.007) 5.760 8.244 ( -0.605 -2.339 -5.291) 5.816 8.529 ( 0.358 1.354 -2.339) 2.726 12.144 ( -1.299 -3.643 4.717) 6.100 12.230 ( -0.675 -0.275 1.206) 1.409 12.558 ( 0.212 -2.783 0.525) 2.840 12.593 ( 3.277 -3.398 -3.540) 5.901 12.764 ( -0.602 0.022 -1.725) 1.827 12.915 ( -4.865 0.965 1.982) 5.341 12.948 ( 1.431 -1.925 1.771) 2.981 13.030 ( 4.734 0.391 -3.109) 5.677 17.464 ( -0.083 -0.685 0.441) 0.819 17.560 ( 1.061 0.042 -0.691) 1.267 17.573 ( -0.470 0.604 0.511) 0.920 17.688 ( -0.397 -1.421 2.418) 2.832 18.385 ( 0.369 0.929 0.356) 1.061 18.397 ( 0.672 1.745 0.976) 2.109 18.448 ( -0.681 0.996 0.207) 1.224 18.522 ( -0.289 -0.701 -0.790) 1.095 20.859 ( -1.042 -0.433 -0.248) 1.155 20.911 ( 1.162 -2.738 0.227) 2.983 21.145 ( -0.555 -0.430 0.164) 0.721 21.187 ( 0.688 -1.957 -0.186) 2.083 21.320 ( 3.038 -0.639 0.348) 3.124 21.345 ( 3.908 -1.012 0.046) 4.037 21.619 ( -2.088 -1.407 -0.262) 2.532 21.641 ( -0.776 -1.850 0.418) 2.049 22.558 ( 2.399 -1.767 -0.473) 3.017 22.583 ( 0.941 -0.215 -0.817) 1.265 22.765 ( -1.630 -0.303 -0.273) 1.680 22.792 ( -0.928 -0.558 -0.275) 1.117 29.269 ( -0.106 -0.659 -0.195) 0.695 29.280 ( -0.118 -0.751 -0.044) 0.762 29.288 ( -0.254 -0.784 0.227) 0.855 29.299 ( 0.255 -1.185 -0.070) 1.214 32.907 ( 1.206 0.394 -0.958) 1.590 32.921 ( -7.065 -4.085 10.266) 13.115 33.131 ( 4.701 -5.874 4.634) 8.836 34.028 ( -6.394 -26.950 -4.723) 28.098 35.918 ( -1.299 0.854 -0.227) 1.571 35.993 ( -1.016 0.172 -0.019) 1.031 36.124 ( 2.638 -3.475 4.998) 6.635 36.375 ( 4.245 -11.165 -3.268) 12.384 39.513 ( -1.568 2.968 1.542) 3.694 39.634 ( 0.429 2.770 -0.936) 2.955 39.726 ( 0.561 10.385 -0.891) 10.438 39.857 ( 1.482 11.916 -2.399) 12.245 39.984 ( 5.052 11.744 1.160) 12.837 40.035 ( 5.541 10.631 1.441) 12.075 41.103 ( -10.568 32.228 17.936) 38.367 42.142 ( -35.531 25.367 -29.950) 52.943 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 4.856 14.183 1.417) 15.059 1.368 ( 5.543 9.213 -3.840) 11.417 1.462 ( 8.995 9.479 3.065) 13.422 1.639 ( -3.162 4.294 0.293) 5.341 1.662 ( 1.160 6.457 -8.496) 10.734 1.757 ( -5.576 2.934 3.802) 7.360 1.981 ( -3.298 3.782 4.069) 6.460 2.057 ( -2.237 1.162 -2.845) 3.801 2.154 ( 5.019 4.737 -0.643) 6.932 2.240 ( -3.411 4.550 -0.346) 5.697 2.378 ( 10.193 -2.690 1.323) 10.625 2.451 ( 0.587 2.636 4.857) 5.558 2.506 ( 13.535 17.175 -0.470) 21.872 2.668 ( 5.669 -3.384 -5.910) 8.861 2.733 ( 2.667 7.593 6.279) 10.207 2.831 ( 9.991 -3.911 -7.091) 12.861 2.935 ( 6.373 6.247 0.019) 8.924 3.016 ( 2.625 -1.830 -1.166) 3.406 3.233 ( 2.276 1.044 -5.785) 6.304 3.349 ( -0.948 3.973 -0.344) 4.099 3.440 ( -5.147 -0.296 -1.765) 5.449 3.545 ( -11.696 1.379 5.455) 12.979 3.595 ( -8.801 -3.991 0.957) 9.711 3.726 ( -9.780 -3.410 0.179) 10.359 4.127 ( -2.865 3.637 -3.337) 5.707 4.230 ( 2.124 -0.584 -0.357) 2.232 4.303 ( -0.138 -0.737 -4.496) 4.558 4.362 ( -2.215 -0.625 -1.692) 2.856 4.474 ( -1.827 3.199 -0.764) 3.762 4.592 ( 5.867 0.072 -2.950) 6.567 4.705 ( -5.345 2.422 -0.130) 5.869 4.740 ( 1.517 0.749 4.037) 4.377 4.794 ( -1.816 -3.701 1.654) 4.442 4.932 ( -1.975 0.865 8.001) 8.287 5.015 ( 1.948 -0.333 -5.404) 5.754 5.067 ( 3.459 -3.638 -1.997) 5.403 5.327 ( 4.984 2.207 1.645) 5.694 5.368 ( 2.354 4.995 3.315) 6.441 5.547 ( -3.312 1.880 1.204) 3.994 5.633 ( -3.612 -2.241 3.960) 5.809 5.811 ( 3.208 6.066 -4.342) 8.120 5.868 ( -0.459 4.721 0.715) 4.797 5.880 ( 0.821 5.809 2.221) 6.273 5.949 ( 1.051 2.515 -3.251) 4.242 6.045 ( -2.778 -0.107 1.968) 3.406 6.142 ( -1.210 1.349 3.053) 3.550 6.181 ( -5.769 3.273 -0.812) 6.682 6.243 ( -1.580 5.135 -0.841) 5.438 6.436 ( 0.771 1.410 2.443) 2.924 6.572 ( -2.086 4.717 3.410) 6.183 6.597 ( 1.158 5.476 -2.151) 5.996 6.823 ( 3.552 3.601 1.732) 5.346 6.929 ( 8.334 9.981 -2.963) 13.336 7.018 ( 4.925 0.890 0.351) 5.017 7.243 ( -1.538 -0.851 -0.912) 1.980 7.602 ( -4.165 -3.788 4.426) 7.161 7.617 ( 9.163 -4.191 -8.063) 12.905 7.976 ( -9.353 -0.418 2.050) 9.584 8.287 ( 2.894 -12.195 -3.540) 13.024 8.495 ( -4.131 -1.362 -0.467) 4.375 12.128 ( -0.531 -3.868 4.029) 5.611 12.207 ( -1.699 -1.033 2.144) 2.924 12.559 ( -0.333 -2.493 2.100) 3.277 12.643 ( 1.563 -3.945 -1.929) 4.661 12.769 ( 1.013 0.100 -1.594) 1.891 12.826 ( -3.416 0.825 0.538) 3.556 12.975 ( 0.889 0.829 2.463) 2.747 13.116 ( 3.752 -1.155 -4.772) 6.179 17.481 ( 1.528 -0.466 -1.190) 1.992 17.551 ( -0.461 0.744 -2.029) 2.210 17.613 ( 2.659 -0.415 0.459) 2.730 17.664 ( -2.006 -1.288 2.968) 3.807 18.392 ( 0.124 0.550 0.719) 0.914 18.414 ( 0.754 1.461 1.723) 2.382 18.441 ( 0.270 1.212 -1.356) 1.839 18.511 ( -0.766 -0.208 -0.758) 1.098 20.847 ( -0.135 -0.372 0.060) 0.400 20.919 ( -0.215 -2.822 -0.793) 2.940 21.140 ( 0.018 -0.396 0.434) 0.587 21.193 ( 0.045 -1.941 -0.800) 2.100 21.395 ( 4.017 -1.426 -0.057) 4.263 21.433 ( 4.248 -2.939 0.678) 5.210 21.568 ( -2.722 -1.436 -0.260) 3.088 21.613 ( -1.988 -2.435 0.602) 3.200 22.601 ( 1.831 0.756 -0.418) 2.024 22.620 ( 2.661 -2.121 1.210) 3.612 22.723 ( -2.451 -0.335 -0.651) 2.558 22.763 ( -1.884 -1.004 -0.443) 2.180 29.267 ( -0.057 -0.366 -0.400) 0.545 29.274 ( -0.297 -0.496 -0.399) 0.702 29.288 ( 0.126 -1.097 0.559) 1.238 29.304 ( 0.231 -1.261 -0.175) 1.294 32.856 ( -0.477 -2.328 2.265) 3.283 32.965 ( 4.774 -0.876 -4.646) 6.719 33.250 ( 6.435 -9.432 5.623) 12.727 33.820 ( -12.881 -19.817 0.067) 23.636 35.912 ( 0.470 0.314 -0.264) 0.624 35.966 ( -1.369 0.374 -0.053) 1.420 36.181 ( 2.448 -4.653 5.277) 7.449 36.440 ( 1.940 -12.150 -2.880) 12.636 39.507 ( 0.909 5.048 1.469) 5.336 39.647 ( 0.572 2.794 -1.071) 3.047 39.705 ( -1.858 13.487 -0.188) 13.616 39.815 ( -3.794 13.106 -1.749) 13.756 40.152 ( 11.659 12.879 3.429) 17.708 40.276 ( 16.457 14.206 0.814) 21.756 40.843 ( -14.996 27.122 9.653) 32.460 41.394 ( -34.720 29.891 -15.514) 48.370 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 10.805 9.448 -6.274) 15.664 1.471 ( -6.625 4.212 -3.066) 8.428 1.492 ( 3.104 2.949 -1.067) 4.412 1.552 ( -3.459 6.123 1.076) 7.114 1.661 ( 0.575 7.088 1.877) 7.355 1.780 ( 6.543 10.645 -5.257) 13.556 1.910 ( -4.879 1.828 7.440) 9.083 1.959 ( -4.758 3.760 3.075) 6.800 2.155 ( -3.231 6.266 1.135) 7.140 2.233 ( 1.146 7.352 -3.373) 8.169 2.404 ( -4.855 4.346 4.444) 7.887 2.553 ( 5.930 -0.343 -2.558) 6.468 2.689 ( -2.663 1.202 3.824) 4.812 2.718 ( -5.335 1.423 -0.506) 5.545 2.785 ( 6.866 4.186 -6.791) 10.525 2.911 ( 3.423 -2.391 -3.306) 5.325 3.103 ( 3.770 1.772 -0.510) 4.197 3.140 ( -0.057 0.094 2.000) 2.003 3.232 ( -0.576 2.849 -3.016) 4.189 3.288 ( -5.955 2.853 -0.591) 6.630 3.328 ( -0.709 1.648 1.200) 2.159 3.415 ( -2.569 1.273 3.769) 4.736 3.446 ( 3.398 0.026 -2.782) 4.392 3.615 ( 0.939 -0.850 0.873) 1.538 4.089 ( -0.610 3.874 -1.893) 4.355 4.244 ( -1.026 -3.578 -4.339) 5.717 4.308 ( 1.065 1.500 -1.983) 2.705 4.345 ( -0.052 -1.266 -2.105) 2.457 4.478 ( 3.033 5.836 1.551) 6.758 4.601 ( -3.360 3.676 -2.082) 5.398 4.698 ( 1.126 0.161 0.164) 1.150 4.737 ( -1.189 -1.820 2.123) 3.039 4.800 ( 3.169 -3.545 1.225) 4.911 4.891 ( -2.624 1.789 8.575) 9.144 5.022 ( -0.532 -0.573 -6.337) 6.385 5.122 ( 1.749 -3.579 -1.879) 4.404 5.382 ( -1.331 4.659 3.510) 5.983 5.403 ( 0.409 0.509 2.329) 2.419 5.501 ( -0.319 0.511 1.713) 1.815 5.564 ( -1.929 3.278 2.679) 4.652 5.822 ( -2.265 7.966 -0.859) 8.326 5.854 ( 1.100 8.698 -1.205) 8.850 5.961 ( 5.765 6.580 -0.374) 8.756 5.995 ( 1.849 1.370 -1.572) 2.787 6.031 ( -0.625 2.336 0.593) 2.490 6.098 ( 0.799 -0.183 -1.534) 1.740 6.122 ( -1.323 0.467 1.527) 2.074 6.215 ( -0.894 3.153 1.867) 3.771 6.431 ( -1.413 3.747 0.973) 4.121 6.533 ( -1.687 2.548 2.294) 3.822 6.628 ( 1.288 7.016 -1.293) 7.249 6.816 ( -0.401 0.694 -1.633) 1.819 7.017 ( -5.926 9.846 2.158) 11.692 7.122 ( 5.463 3.359 3.252) 7.190 7.276 ( 4.903 2.017 -4.517) 6.965 7.459 ( -3.375 -7.656 -2.636) 8.772 7.676 ( -7.686 -3.082 5.001) 9.674 7.997 ( 11.862 -4.705 -10.167) 16.316 8.343 ( 1.200 -10.045 0.494) 10.129 8.365 ( -7.117 -4.185 1.741) 8.438 12.131 ( 0.577 -3.306 3.497) 4.846 12.176 ( -1.250 -2.334 3.475) 4.369 12.544 ( -1.354 -3.044 1.871) 3.821 12.641 ( -1.512 -4.846 0.350) 5.088 12.774 ( -0.315 2.210 -1.278) 2.572 12.815 ( 2.006 0.121 -1.388) 2.442 12.983 ( -0.388 1.622 1.741) 2.410 13.164 ( 1.296 -0.563 -4.457) 4.676 17.515 ( 1.926 -0.366 -1.737) 2.620 17.540 ( -0.596 0.569 -2.694) 2.817 17.619 ( -2.504 -1.043 2.613) 3.767 17.668 ( 2.547 -1.432 1.161) 3.144 18.385 ( -0.712 1.153 0.734) 1.541 18.426 ( 0.325 0.811 1.969) 2.155 18.462 ( 1.643 0.540 -1.937) 2.597 18.493 ( -0.866 0.421 -0.620) 1.145 20.852 ( 0.543 -0.552 0.683) 1.033 20.906 ( -0.843 -2.304 -1.533) 2.893 21.143 ( 0.176 -0.440 0.710) 0.854 21.189 ( -0.307 -1.783 -1.131) 2.134 21.451 ( -1.731 -1.756 0.137) 2.469 21.469 ( 1.247 -1.625 -0.500) 2.109 21.553 ( 1.116 -2.991 1.068) 3.366 21.574 ( -0.619 -2.701 0.241) 2.781 22.626 ( -0.760 -0.080 0.650) 1.003 22.656 ( 0.003 -0.848 1.727) 1.924 22.683 ( -0.267 0.025 -0.810) 0.853 22.738 ( 0.356 -1.691 -1.310) 2.169 29.267 ( 0.059 -0.396 -0.410) 0.573 29.270 ( -0.027 -0.583 -0.503) 0.770 29.290 ( 0.054 -1.047 0.546) 1.182 29.308 ( 0.135 -1.318 -0.207) 1.341 32.875 ( 1.850 -2.920 -2.035) 4.011 33.078 ( 6.181 -3.270 -7.286) 10.098 33.371 ( 4.127 -15.239 10.414) 18.913 33.585 ( -8.517 -13.451 -0.090) 15.921 35.924 ( 0.286 0.050 0.181) 0.342 35.946 ( -0.288 0.619 -0.467) 0.827 36.215 ( 0.145 -6.226 5.974) 8.630 36.450 ( -0.383 -11.252 -3.334) 11.742 39.538 ( 0.979 7.699 1.835) 7.975 39.621 ( -1.367 6.052 -1.305) 6.341 39.701 ( -0.254 11.306 0.549) 11.322 39.760 ( -0.008 9.511 -1.793) 9.678 40.383 ( 1.978 19.298 6.045) 20.319 40.459 ( -1.377 18.537 8.741) 20.540 40.713 ( -5.135 25.644 -6.545) 26.960 40.910 ( 6.650 21.627 -8.276) 24.093 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -14.991 9.870 2.167) 18.079 1.455 ( -3.569 12.323 6.992) 14.611 1.484 ( 7.569 4.702 -10.148) 13.505 1.557 ( 3.257 3.122 -6.790) 8.152 1.740 ( -0.116 0.270 6.145) 6.152 1.773 ( -2.427 5.753 1.019) 6.326 1.896 ( 2.207 0.649 -2.626) 3.491 1.948 ( 5.426 4.929 0.862) 7.381 2.129 ( 0.549 2.342 0.253) 2.419 2.196 ( -5.739 7.358 -0.208) 9.334 2.297 ( -4.751 4.119 1.346) 6.430 2.429 ( -15.232 -0.472 -1.182) 15.285 2.552 ( -9.859 2.123 -0.541) 10.100 2.636 ( -1.301 2.418 1.102) 2.959 2.809 ( -8.320 1.907 -4.348) 9.579 2.886 ( -8.534 11.929 6.070) 15.873 2.990 ( 2.678 -5.499 -1.009) 6.199 3.039 ( -8.478 8.688 1.903) 12.287 3.214 ( -3.054 4.757 -7.434) 9.339 3.228 ( 3.206 7.734 -8.427) 11.879 3.494 ( 6.939 -0.293 2.905) 7.528 3.509 ( 11.373 -0.322 3.443) 11.887 3.655 ( 12.139 -0.132 -2.125) 12.324 3.703 ( 5.938 -7.945 3.196) 10.421 4.080 ( -0.202 1.600 -4.058) 4.366 4.235 ( 0.183 -1.298 -0.784) 1.527 4.319 ( 0.242 1.205 -1.179) 1.703 4.348 ( 1.096 -3.788 -3.578) 5.325 4.560 ( 1.664 1.735 -0.803) 2.534 4.591 ( 4.980 4.453 -0.931) 6.745 4.646 ( -2.213 -1.890 -2.056) 3.564 4.749 ( -0.619 1.643 6.584) 6.814 4.833 ( -1.240 2.615 3.388) 4.456 4.869 ( 0.174 -3.846 2.820) 4.773 5.003 ( -0.785 -2.263 -5.691) 6.174 5.117 ( -1.966 -3.074 -0.824) 3.741 5.317 ( -4.888 1.304 3.761) 6.304 5.352 ( -2.999 2.096 1.568) 3.980 5.560 ( 3.330 2.428 1.016) 4.244 5.568 ( 2.249 1.710 2.776) 3.961 5.795 ( -0.316 7.779 -1.835) 7.998 5.852 ( -1.933 9.524 0.273) 9.722 5.923 ( -3.301 -0.251 -2.268) 4.012 6.051 ( 1.117 1.663 0.146) 2.009 6.089 ( 0.652 4.236 4.807) 6.440 6.125 ( 3.271 2.475 0.082) 4.103 6.146 ( 2.435 -1.709 0.530) 3.022 6.248 ( 4.237 0.612 -1.701) 4.606 6.411 ( 0.887 6.810 1.403) 7.009 6.507 ( -1.124 1.364 2.273) 2.880 6.640 ( 0.174 6.911 1.057) 6.994 6.805 ( -6.344 4.903 0.506) 8.034 6.877 ( -2.054 0.358 -4.631) 5.079 7.083 ( -5.060 5.226 4.790) 8.710 7.344 ( -1.661 1.976 -2.934) 3.908 7.508 ( 7.950 -1.811 -4.692) 9.408 7.563 ( -2.884 -2.095 0.811) 3.656 8.108 ( -9.708 -7.870 5.251) 13.556 8.258 ( 7.735 0.587 -8.554) 11.547 8.404 ( 2.058 -5.657 0.992) 6.101 12.150 ( 0.801 -3.272 3.781) 5.064 12.176 ( 1.245 -2.365 3.561) 4.452 12.513 ( -1.677 -3.771 0.147) 4.130 12.605 ( -1.812 -5.304 -0.904) 5.677 12.776 ( 0.594 2.081 -1.773) 2.798 12.860 ( 2.131 1.340 0.567) 2.580 12.961 ( -1.852 1.004 0.937) 2.305 13.161 ( -1.263 0.357 -3.198) 3.457 17.525 ( -0.600 0.427 -2.401) 2.512 17.555 ( 1.739 -0.515 -1.250) 2.202 17.574 ( -1.666 -0.792 1.392) 2.310 17.707 ( 1.039 -2.876 2.255) 3.800 18.373 ( -0.492 1.790 0.306) 1.882 18.426 ( -0.588 0.247 1.808) 1.917 18.474 ( -0.332 1.318 -0.451) 1.432 18.499 ( 1.508 -0.697 -1.302) 2.111 20.865 ( 0.373 -0.956 0.657) 1.218 20.887 ( -0.751 -1.566 -1.369) 2.211 21.147 ( 0.204 -0.543 0.748) 0.947 21.180 ( -0.561 -1.537 -1.080) 1.960 21.380 ( -3.822 -0.542 0.156) 3.864 21.445 ( -3.894 -2.615 0.448) 4.712 21.573 ( 2.253 -1.560 -0.333) 2.761 21.614 ( 2.233 -2.743 0.669) 3.599 22.580 ( -2.763 -1.090 0.025) 2.970 22.614 ( -2.714 -0.175 0.762) 2.824 22.725 ( 2.749 0.190 -0.542) 2.808 22.765 ( 1.610 -1.345 -0.476) 2.151 29.268 ( 0.077 -0.688 -0.261) 0.740 29.273 ( 0.234 -0.705 -0.428) 0.857 29.291 ( -0.057 -0.904 0.429) 1.002 29.309 ( -0.016 -1.322 -0.168) 1.332 32.914 ( 2.105 -2.768 -3.041) 4.620 33.113 ( -3.937 -4.137 -0.409) 5.725 33.418 ( 2.073 -17.352 10.828) 20.558 33.579 ( 6.860 -17.518 -4.444) 19.331 35.922 ( 0.132 0.893 -0.299) 0.951 35.958 ( 1.048 0.158 -0.070) 1.062 36.190 ( -2.927 -6.879 5.816) 9.471 36.426 ( -1.907 -10.402 -3.337) 11.089 39.521 ( -1.387 4.881 1.810) 5.387 39.629 ( 0.447 2.897 -1.519) 3.302 39.698 ( 1.488 14.803 -0.129) 14.878 39.799 ( 2.364 12.183 -1.341) 12.482 40.160 ( -12.620 12.004 3.622) 17.789 40.303 ( -14.701 14.175 -0.186) 20.423 40.792 ( 14.211 28.052 7.765) 32.391 41.495 ( 38.970 26.958 -13.302) 49.217 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -10.828 14.964 6.515) 19.586 1.356 ( -7.020 16.045 11.621) 21.018 1.514 ( -1.956 1.611 -3.771) 4.543 1.577 ( -2.963 9.454 -4.088) 10.718 1.712 ( 5.814 1.785 -5.521) 8.214 1.814 ( -8.208 4.143 -0.232) 9.197 1.912 ( 4.818 -1.263 -0.359) 4.994 2.058 ( -2.958 3.770 -1.919) 5.162 2.100 ( 3.729 -1.180 3.745) 5.415 2.143 ( -0.682 1.599 -8.021) 8.207 2.197 ( -2.948 2.205 3.439) 5.038 2.230 ( -2.729 0.482 -0.261) 2.784 2.382 ( -5.399 10.870 1.340) 12.211 2.532 ( -7.422 -0.239 -1.329) 7.544 2.650 ( -2.407 3.020 0.854) 3.956 2.821 ( -1.971 8.489 0.090) 8.715 2.891 ( -6.102 13.110 2.636) 14.699 3.008 ( -1.906 1.154 0.409) 2.265 3.159 ( -0.772 -0.510 -7.680) 7.736 3.310 ( 4.181 14.547 -8.782) 17.499 3.577 ( 2.002 -0.498 4.865) 5.284 3.719 ( 7.162 -0.822 -1.382) 7.340 3.746 ( 1.328 -8.742 2.698) 9.244 3.880 ( 7.327 -5.443 -0.764) 9.159 4.092 ( 1.743 1.779 -4.086) 4.786 4.213 ( -1.820 -0.135 -1.108) 2.135 4.318 ( -0.416 0.031 -0.987) 1.071 4.386 ( 1.617 -7.377 -1.930) 7.795 4.584 ( 2.333 -0.808 -3.267) 4.095 4.653 ( 1.962 -2.846 0.330) 3.472 4.710 ( 4.199 3.344 2.795) 6.052 4.737 ( 1.061 -0.698 3.253) 3.492 4.804 ( -2.024 3.561 3.459) 5.361 4.829 ( -3.430 1.608 -1.785) 4.188 4.963 ( -2.846 -3.986 -2.015) 5.296 5.082 ( -1.467 -4.492 1.086) 4.848 5.238 ( -2.819 1.109 3.028) 4.283 5.301 ( -2.122 3.698 1.669) 4.579 5.613 ( 3.153 2.822 1.669) 4.549 5.623 ( 1.579 -0.529 0.708) 1.809 5.780 ( -3.486 5.222 -1.573) 6.472 5.802 ( 0.556 3.135 -0.665) 3.252 5.932 ( 3.039 4.433 1.143) 5.495 5.989 ( -3.652 -3.886 -2.475) 5.879 6.107 ( 0.414 2.775 4.785) 5.547 6.124 ( -1.856 0.199 -0.127) 1.871 6.253 ( 1.807 3.971 0.879) 4.450 6.309 ( 5.629 1.617 0.976) 5.937 6.440 ( -1.529 3.222 3.203) 4.793 6.521 ( 1.114 4.701 2.604) 5.488 6.610 ( -6.806 2.414 0.490) 7.238 6.648 ( 0.863 2.156 0.137) 2.327 6.911 ( 2.868 2.020 -1.870) 3.975 7.046 ( 0.245 6.327 1.857) 6.599 7.278 ( -2.492 4.547 -5.341) 7.444 7.433 ( -11.887 -2.971 7.131) 14.177 7.702 ( 9.596 -0.053 -5.447) 11.034 7.933 ( -3.597 2.474 -1.385) 4.580 8.390 ( 1.381 -5.522 -0.570) 5.721 8.433 ( 3.498 4.766 -4.795) 7.612 12.166 ( 0.366 -3.578 5.707) 6.745 12.215 ( 1.781 -1.316 3.051) 3.770 12.493 ( 0.309 -3.941 -2.587) 4.724 12.573 ( -1.124 -5.581 -3.823) 6.857 12.798 ( 1.699 1.584 -0.812) 2.461 12.879 ( -1.098 1.602 1.026) 2.196 12.933 ( 0.196 0.136 0.877) 0.909 13.111 ( -3.546 0.812 -1.347) 3.880 17.514 ( -0.647 -0.083 -0.553) 0.856 17.531 ( -1.306 -0.390 0.288) 1.393 17.608 ( 2.476 -0.780 -0.656) 2.678 17.701 ( -1.940 -3.972 3.056) 5.374 18.369 ( 0.086 2.088 0.249) 2.105 18.409 ( -0.966 0.539 1.082) 1.547 18.469 ( -0.284 1.056 0.629) 1.261 18.521 ( 0.648 -1.252 -1.154) 1.822 20.859 ( -0.231 -0.561 -0.509) 0.792 20.887 ( 0.270 -0.974 0.595) 1.173 21.153 ( 0.321 -0.703 0.367) 0.855 21.170 ( -0.270 -0.949 -0.363) 1.051 21.317 ( -2.456 -0.059 0.202) 2.465 21.356 ( -4.327 -1.464 0.126) 4.570 21.617 ( 1.870 -1.353 -0.194) 2.316 21.645 ( 0.810 -2.048 0.348) 2.230 22.535 ( -1.507 -1.680 -0.143) 2.262 22.575 ( -1.043 0.249 -0.953) 1.435 22.770 ( 1.705 -0.066 -0.228) 1.721 22.789 ( 0.799 -0.760 -0.320) 1.148 29.269 ( 0.068 -0.972 -0.001) 0.975 29.277 ( 0.239 -0.836 -0.333) 0.931 29.290 ( -0.026 -0.781 0.287) 0.832 29.307 ( -0.252 -1.232 -0.079) 1.260 32.954 ( 2.022 -1.983 -2.175) 3.571 33.003 ( -5.154 -1.546 1.786) 5.669 33.384 ( -7.994 -22.822 23.584) 33.778 33.807 ( 14.589 -22.665 -14.756) 30.729 35.942 ( 1.974 1.132 -0.459) 2.321 35.978 ( 0.786 0.145 0.009) 0.799 36.122 ( -3.788 -5.704 5.469) 8.763 36.367 ( -3.435 -9.568 -3.514) 10.757 39.517 ( 0.939 2.886 1.631) 3.445 39.632 ( 0.291 1.476 -1.051) 1.836 39.724 ( 0.149 13.148 -1.134) 13.198 39.816 ( -1.135 11.363 -1.394) 11.505 39.970 ( -5.853 9.825 1.852) 11.585 40.092 ( -6.070 11.486 -0.154) 12.993 41.060 ( 10.673 33.331 15.573) 38.306 42.267 ( 35.437 19.111 -27.836) 48.947 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 2.739 14.499 9.720) 17.669 1.500 ( -1.134 4.795 -2.704) 5.620 1.528 ( -2.496 8.971 2.644) 9.680 1.690 ( -4.442 6.199 -4.942) 9.087 1.748 ( 2.061 -0.155 -2.583) 3.308 1.882 ( 1.896 3.448 -3.722) 5.417 1.916 ( 2.200 -1.339 2.271) 3.434 1.985 ( 0.073 -2.135 -0.071) 2.137 2.041 ( 3.212 -6.127 5.684) 8.954 2.102 ( -0.281 -4.005 3.255) 5.169 2.200 ( -1.892 -3.866 -1.780) 4.658 2.312 ( 4.689 3.833 -12.169) 13.593 2.360 ( -0.030 -2.141 -9.103) 9.351 2.554 ( 1.064 1.136 -10.723) 10.836 2.733 ( 1.990 5.661 6.567) 8.896 2.912 ( -2.614 3.222 1.074) 4.285 2.964 ( -3.011 7.790 1.331) 8.457 3.072 ( -0.889 0.774 4.054) 4.221 3.336 ( -1.363 18.800 -0.338) 18.852 3.579 ( -1.366 -4.394 3.539) 5.805 3.596 ( -0.464 -0.313 2.974) 3.026 3.638 ( 1.379 5.508 -4.275) 7.107 3.751 ( -0.198 -3.386 -0.599) 3.444 3.761 ( -0.265 -7.298 -2.170) 7.619 4.187 ( -0.136 3.306 -0.593) 3.361 4.219 ( 0.325 0.821 -1.654) 1.875 4.273 ( 0.396 -1.297 -0.706) 1.529 4.317 ( 1.831 -0.211 -2.680) 3.252 4.550 ( -3.936 -0.103 2.753) 4.804 4.648 ( 1.730 -0.077 3.206) 3.644 4.674 ( 2.093 -2.926 -0.841) 3.695 4.768 ( -1.630 1.064 -1.866) 2.696 4.816 ( 1.746 -1.945 0.342) 2.636 4.883 ( 0.749 -1.484 -2.813) 3.267 4.965 ( 1.920 3.568 1.434) 4.298 4.979 ( -2.991 0.251 1.467) 3.341 5.266 ( 0.562 3.211 1.933) 3.790 5.353 ( 0.337 2.376 0.527) 2.457 5.620 ( -0.191 -0.009 0.909) 0.929 5.683 ( -0.017 -0.388 -0.274) 0.475 5.764 ( -2.133 0.526 0.117) 2.200 5.835 ( 0.920 0.910 -0.523) 1.396 5.963 ( 5.006 1.184 2.884) 5.897 6.089 ( -4.561 4.088 -0.856) 6.184 6.129 ( -1.604 -1.524 3.265) 3.944 6.141 ( 4.355 3.613 2.096) 6.035 6.222 ( -2.744 1.700 3.318) 4.629 6.316 ( -0.030 -2.093 1.189) 2.407 6.518 ( -0.445 3.680 0.902) 3.815 6.652 ( 4.615 0.221 -4.410) 6.388 6.680 ( 3.257 5.074 0.582) 6.057 6.729 ( -1.088 7.174 0.583) 7.280 6.886 ( -7.060 -4.042 1.928) 8.360 7.041 ( 0.845 -0.401 -1.264) 1.572 7.244 ( -5.239 6.982 4.919) 10.020 7.522 ( 2.841 9.069 -0.620) 9.524 7.700 ( 0.424 -6.616 1.171) 6.732 7.998 ( 1.280 -3.079 -6.113) 6.963 8.379 ( -0.490 3.467 -0.165) 3.505 8.538 ( 0.930 0.526 -4.617) 4.739 12.130 ( -0.517 0.141 3.548) 3.588 12.230 ( 0.998 0.280 -0.821) 1.323 12.429 ( 1.679 -6.027 -3.418) 7.129 12.457 ( 2.331 -5.023 -3.065) 6.329 12.827 ( -3.567 1.278 1.457) 4.060 12.864 ( 1.850 0.914 0.714) 2.183 13.001 ( 1.788 1.309 1.808) 2.860 13.036 ( -4.322 0.139 1.454) 4.562 17.475 ( -1.330 0.204 1.469) 1.992 17.536 ( 0.824 -0.039 -1.318) 1.554 17.603 ( -1.084 -0.290 0.711) 1.328 17.642 ( 1.064 -1.750 -0.097) 2.050 18.402 ( -0.108 0.917 1.015) 1.372 18.427 ( 0.127 1.754 0.310) 1.786 18.481 ( -0.547 0.912 0.053) 1.065 18.501 ( 0.180 -1.207 -0.504) 1.320 20.861 ( 0.383 -0.387 0.260) 0.603 20.869 ( -0.214 -0.631 -0.051) 0.668 21.145 ( -0.122 -0.487 0.152) 0.525 21.152 ( 0.151 -0.735 -0.065) 0.753 21.292 ( 0.066 0.002 0.011) 0.067 21.296 ( -0.189 -0.230 -0.102) 0.315 21.613 ( 0.325 -1.246 0.066) 1.289 21.616 ( -0.354 -1.353 -0.004) 1.399 22.517 ( 0.325 1.301 0.725) 1.524 22.593 ( 0.256 1.542 -2.108) 2.624 22.762 ( -0.160 -1.813 0.221) 1.833 22.781 ( 0.126 -1.385 -0.517) 1.483 29.254 ( 0.005 -0.461 0.153) 0.485 29.267 ( 0.174 -0.501 -0.324) 0.622 29.275 ( 0.092 -0.706 0.092) 0.718 29.279 ( -0.319 -0.923 -0.005) 0.976 32.932 ( -1.408 0.889 0.561) 1.758 32.946 ( -5.353 -4.765 7.123) 10.104 32.964 ( 1.918 -4.409 4.485) 6.575 33.499 ( 3.766 -22.835 -9.073) 24.859 35.964 ( -1.256 0.081 0.597) 1.393 36.008 ( 0.561 0.637 -0.740) 1.126 36.025 ( 0.966 -1.875 3.248) 3.873 36.177 ( -0.197 -5.440 -2.694) 6.074 39.597 ( 0.090 2.546 1.605) 3.011 39.668 ( 0.414 0.814 -0.898) 1.280 39.792 ( -0.672 2.791 0.291) 2.886 39.860 ( 0.495 1.344 -2.403) 2.798 40.239 ( 0.174 15.352 2.753) 15.597 40.353 ( -0.521 13.988 -1.116) 14.042 41.810 ( 0.050 26.367 14.308) 29.999 42.687 ( -0.598 -2.549 -19.876) 20.048 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 3.698 11.879 8.530) 15.084 1.511 ( 6.081 11.442 -0.220) 12.959 1.539 ( 1.174 10.283 -4.015) 11.101 1.689 ( 4.766 3.530 -3.548) 6.910 1.753 ( -1.611 -0.175 -2.347) 2.852 1.883 ( -0.737 2.708 5.630) 6.291 1.998 ( -0.087 -4.026 3.787) 5.528 2.047 ( 6.209 3.712 -7.352) 10.314 2.087 ( 5.195 -3.433 -0.989) 6.305 2.137 ( 1.725 -1.248 0.247) 2.143 2.243 ( 9.951 -2.294 3.663) 10.849 2.356 ( 2.871 -0.204 -6.799) 7.383 2.525 ( 9.646 -4.497 -7.123) 12.807 2.563 ( 2.606 0.981 -11.774) 12.099 2.778 ( 0.515 3.464 7.777) 8.530 2.852 ( -2.992 10.361 2.109) 10.989 2.918 ( 1.283 4.707 -2.728) 5.589 3.069 ( -1.037 -0.412 5.312) 5.428 3.307 ( -1.729 13.618 -3.893) 14.269 3.499 ( -6.695 -2.653 4.477) 8.479 3.563 ( -3.495 -0.136 -1.205) 3.700 3.617 ( -2.895 -0.368 0.870) 3.045 3.679 ( -5.366 -3.746 -0.460) 6.560 3.746 ( -2.059 -3.268 -1.323) 4.082 4.165 ( -1.246 1.652 -0.576) 2.148 4.243 ( 2.105 0.331 -1.580) 2.653 4.283 ( -0.415 -1.449 -0.462) 1.577 4.351 ( 1.077 -0.186 -2.731) 2.941 4.490 ( -0.885 1.459 -0.668) 1.832 4.657 ( -1.465 4.193 0.201) 4.446 4.710 ( 1.526 -0.842 2.667) 3.185 4.737 ( -1.134 -1.987 1.609) 2.797 4.850 ( -0.273 -3.441 0.295) 3.464 4.895 ( -1.639 -0.297 -0.121) 1.670 4.934 ( 2.642 0.150 -2.645) 3.741 5.008 ( 1.548 1.182 1.136) 2.255 5.302 ( 2.888 3.232 2.210) 4.865 5.384 ( 2.721 2.465 0.212) 3.678 5.610 ( -1.269 -0.196 1.295) 1.824 5.657 ( -2.109 0.065 0.607) 2.196 5.755 ( 1.797 0.374 -1.077) 2.128 5.876 ( 2.313 0.279 0.188) 2.338 5.994 ( -1.345 1.438 0.761) 2.110 6.064 ( -0.923 4.525 0.728) 4.676 6.114 ( 0.957 0.710 1.302) 1.765 6.165 ( -0.803 2.024 4.402) 4.911 6.233 ( 3.104 1.819 3.153) 4.784 6.330 ( -1.951 -2.435 -0.261) 3.131 6.494 ( -0.339 4.594 1.766) 4.934 6.669 ( -2.164 0.387 -1.988) 2.964 6.716 ( -0.376 7.950 4.687) 9.236 6.767 ( 6.145 4.906 -1.518) 8.008 6.851 ( 4.176 -2.569 -3.818) 6.214 7.095 ( 1.243 2.982 1.862) 3.728 7.211 ( 4.542 3.458 -1.791) 5.983 7.530 ( -1.162 8.847 3.268) 9.503 7.654 ( -5.286 -6.783 -0.160) 8.601 7.997 ( -1.248 -7.015 -3.045) 7.748 8.305 ( -6.303 5.280 -1.588) 8.374 8.533 ( -1.459 -0.954 -4.097) 4.453 12.113 ( -1.020 0.853 2.798) 3.098 12.244 ( -0.120 1.687 -0.593) 1.793 12.453 ( 1.398 -6.883 -1.788) 7.247 12.509 ( 2.096 -4.934 -1.036) 5.460 12.779 ( -1.040 1.676 -0.059) 1.974 12.912 ( 1.986 -1.319 1.332) 2.731 12.945 ( -3.554 1.699 1.231) 4.127 13.041 ( 1.853 -0.132 -0.007) 1.858 17.464 ( 0.192 0.729 0.560) 0.939 17.558 ( 1.346 -0.424 -0.937) 1.694 17.584 ( -0.598 0.488 -0.399) 0.869 17.652 ( -0.281 -1.989 1.207) 2.343 18.403 ( 0.167 0.980 0.884) 1.330 18.434 ( 0.539 1.600 0.584) 1.786 18.470 ( -0.496 0.976 -0.390) 1.162 18.503 ( 0.023 -1.084 -0.399) 1.155 20.852 ( -0.769 -0.237 -0.112) 0.812 20.873 ( 0.218 -1.180 0.170) 1.212 21.137 ( -0.418 -0.281 0.085) 0.511 21.156 ( 0.177 -1.110 -0.022) 1.124 21.315 ( 2.351 -0.019 0.091) 2.352 21.330 ( 2.987 -0.533 -0.099) 3.036 21.593 ( -1.878 -1.061 -0.065) 2.158 21.606 ( -1.152 -1.503 0.129) 1.898 22.544 ( 2.205 0.806 0.802) 2.481 22.602 ( 0.790 1.342 -1.637) 2.260 22.747 ( -1.334 -1.446 0.039) 1.968 22.772 ( -0.998 -1.392 -0.421) 1.764 29.256 ( 0.119 -0.508 0.013) 0.522 29.269 ( -0.004 -0.396 -0.175) 0.433 29.272 ( -0.319 -0.759 0.090) 0.829 29.278 ( 0.200 -0.818 -0.058) 0.844 32.854 ( -3.454 -2.031 6.419) 7.567 32.923 ( 0.508 1.233 -1.213) 1.802 33.020 ( 2.831 -5.026 2.691) 6.365 33.511 ( -2.003 -22.715 -5.514) 23.460 35.938 ( -1.053 1.041 0.514) 1.567 36.003 ( -0.841 0.967 -0.505) 1.377 36.056 ( 1.646 -3.184 3.087) 4.730 36.200 ( 2.201 -6.534 -2.626) 7.378 39.572 ( -0.503 2.805 1.002) 3.021 39.659 ( 0.169 0.390 -0.348) 0.549 39.899 ( 8.411 6.559 -0.687) 10.688 40.010 ( 10.817 3.952 -2.427) 11.770 40.237 ( 1.430 12.819 2.914) 13.224 40.310 ( -2.195 12.989 0.309) 13.176 41.681 ( -13.562 24.691 12.717) 30.908 42.403 ( -24.799 3.344 -17.344) 30.446 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 2.805 11.700 0.753) 12.055 1.560 ( 1.507 9.970 -5.149) 11.322 1.692 ( 5.205 7.878 4.016) 10.261 1.707 ( 0.101 8.194 0.160) 8.196 1.758 ( -0.524 1.480 -1.194) 1.973 1.885 ( 3.239 7.524 -0.711) 8.223 1.964 ( -2.427 -2.912 3.987) 5.501 2.093 ( -1.375 1.565 0.039) 2.083 2.213 ( 6.641 -0.530 0.310) 6.670 2.314 ( 12.091 -0.816 -3.647) 12.655 2.375 ( 1.662 8.330 -1.427) 8.613 2.477 ( 9.605 0.249 1.183) 9.681 2.587 ( 1.716 -3.902 -2.983) 5.203 2.731 ( 3.949 -1.334 -3.158) 5.229 2.747 ( 2.716 3.315 -2.684) 5.057 2.881 ( 5.117 0.463 -0.353) 5.150 2.996 ( 5.481 3.739 -0.666) 6.668 3.053 ( 0.252 2.198 2.108) 3.056 3.203 ( -9.335 -4.834 -2.776) 10.872 3.394 ( -2.329 2.772 -0.408) 3.643 3.450 ( -6.271 -0.737 -4.132) 7.546 3.537 ( -5.822 -1.850 4.290) 7.465 3.563 ( -5.260 1.476 2.740) 6.112 3.681 ( -4.345 -1.495 0.181) 4.598 4.162 ( 1.088 0.192 -1.183) 1.618 4.240 ( -3.265 1.420 -0.655) 3.621 4.287 ( 1.919 -0.618 -1.316) 2.408 4.342 ( -1.553 -0.873 -1.836) 2.559 4.530 ( 4.185 -0.606 -2.424) 4.874 4.617 ( -1.563 5.383 -1.002) 5.694 4.699 ( -3.178 -3.073 3.739) 5.789 4.749 ( 1.919 -0.156 4.993) 5.351 4.800 ( -2.410 3.762 -1.843) 4.833 4.903 ( 0.619 -3.381 1.077) 3.602 4.984 ( 2.040 -1.952 -0.967) 2.984 5.033 ( 0.860 0.174 -1.712) 1.924 5.373 ( 3.650 2.267 2.283) 4.866 5.445 ( 2.606 2.063 0.986) 3.466 5.567 ( -2.863 0.781 0.639) 3.036 5.621 ( -1.190 1.619 0.653) 2.113 5.825 ( 4.983 -1.286 -1.727) 5.429 5.914 ( 1.716 1.508 0.327) 2.308 6.011 ( 2.024 1.225 -0.240) 2.378 6.028 ( -1.036 4.361 -0.231) 4.488 6.086 ( -2.047 3.340 1.211) 4.101 6.170 ( -1.539 3.130 4.451) 5.655 6.241 ( -4.745 2.233 -1.271) 5.396 6.277 ( 0.214 -0.391 1.445) 1.512 6.498 ( 0.487 3.379 2.911) 4.486 6.624 ( -2.326 -0.719 2.426) 3.437 6.726 ( 1.335 7.191 1.505) 7.468 6.864 ( -1.323 0.586 -1.657) 2.200 6.992 ( 10.891 -0.498 1.194) 10.968 7.128 ( 5.479 7.492 -2.157) 9.529 7.312 ( -0.203 4.601 0.099) 4.607 7.518 ( -7.140 -2.614 0.336) 7.611 7.581 ( 8.665 1.359 -1.736) 8.941 7.945 ( -3.858 -4.972 -0.706) 6.333 8.169 ( -5.326 1.868 -1.858) 5.942 8.463 ( -5.543 -2.380 -3.679) 7.065 12.104 ( -0.003 1.559 2.630) 3.058 12.215 ( -2.502 2.027 0.948) 3.357 12.473 ( 0.166 -6.101 1.899) 6.392 12.530 ( 0.105 -6.452 0.376) 6.463 12.788 ( 1.830 1.793 -1.667) 3.056 12.860 ( -2.996 1.932 0.059) 3.565 12.976 ( 2.170 -0.481 1.415) 2.635 13.081 ( 2.342 -2.373 -3.117) 4.564 17.481 ( 1.370 0.554 -0.440) 1.542 17.565 ( -0.455 0.610 -1.821) 1.973 17.597 ( 1.664 -1.251 0.202) 2.092 17.633 ( -1.620 -1.627 1.898) 2.979 18.409 ( 0.367 1.136 0.775) 1.424 18.444 ( 0.298 1.433 1.167) 1.872 18.463 ( -0.077 0.828 -1.059) 1.347 18.501 ( -0.108 -0.733 -0.546) 0.920 20.842 ( -0.189 -0.110 0.021) 0.220 20.874 ( -0.124 -1.572 -0.194) 1.589 21.133 ( -0.024 -0.268 0.213) 0.343 21.158 ( 0.002 -1.387 -0.246) 1.408 21.376 ( 3.441 -0.425 0.233) 3.475 21.398 ( 3.435 -1.055 -0.102) 3.595 21.545 ( -2.679 -0.770 -0.042) 2.788 21.570 ( -2.311 -1.710 0.123) 2.878 22.598 ( 2.829 0.034 1.117) 3.041 22.623 ( 1.391 1.039 -0.618) 1.843 22.712 ( -2.046 -0.722 -0.397) 2.205 22.743 ( -1.853 -1.033 -0.508) 2.181 29.258 ( 0.118 -0.461 -0.191) 0.513 29.264 ( -0.307 -0.546 -0.127) 0.640 29.271 ( 0.050 -0.497 0.294) 0.580 29.282 ( 0.182 -0.879 -0.201) 0.920 32.821 ( -0.452 -0.791 2.862) 3.004 32.951 ( 2.489 -0.443 -3.630) 4.424 33.076 ( 2.455 -7.359 4.265) 8.853 33.427 ( -5.587 -17.795 -2.408) 18.806 35.927 ( -0.090 1.143 0.495) 1.249 35.984 ( -0.871 1.475 -0.554) 1.801 36.088 ( 1.250 -4.360 3.159) 5.527 36.237 ( 1.385 -8.012 -2.492) 8.505 39.607 ( 3.792 4.600 0.782) 6.013 39.696 ( 3.062 1.890 -0.063) 3.599 39.959 ( -2.676 11.242 -1.180) 11.616 40.056 ( -5.565 9.637 -1.963) 11.300 40.400 ( 15.402 10.873 4.103) 19.294 40.509 ( 21.743 8.354 1.155) 23.321 41.333 ( -20.623 20.953 7.330) 30.299 41.788 ( -33.465 10.072 -11.746) 36.869 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 5.573 8.181 -3.112) 10.377 1.566 ( -1.465 6.880 -5.098) 8.687 1.637 ( -3.597 7.986 0.861) 8.801 1.702 ( -2.459 7.180 1.373) 7.712 1.800 ( 1.816 6.561 1.032) 6.885 1.905 ( -3.150 -1.597 5.058) 6.168 1.980 ( 4.106 8.430 -5.129) 10.688 2.027 ( -4.748 4.287 8.198) 10.399 2.281 ( -1.560 2.298 2.503) 3.739 2.361 ( -1.884 8.588 -2.678) 9.191 2.499 ( -4.097 3.130 4.775) 7.027 2.520 ( 4.892 -1.291 -7.736) 9.244 2.654 ( 0.268 -1.863 -4.391) 4.778 2.749 ( -1.064 1.909 5.368) 5.796 2.817 ( 2.494 0.432 -7.221) 7.652 2.926 ( -5.357 1.264 -1.446) 5.691 3.025 ( 2.303 -8.334 -0.563) 8.665 3.101 ( 5.399 -4.041 -4.983) 8.385 3.199 ( 7.745 -2.934 0.718) 8.314 3.313 ( -0.816 -0.145 -5.881) 5.940 3.381 ( -6.038 -0.617 3.620) 7.067 3.460 ( 2.160 -0.261 0.874) 2.344 3.534 ( 3.404 6.809 3.009) 8.185 3.592 ( -4.214 -0.002 2.141) 4.726 4.164 ( -2.174 0.257 -0.850) 2.348 4.202 ( 0.911 2.952 -2.029) 3.696 4.310 ( -0.835 -1.544 -1.178) 2.114 4.310 ( 0.270 -1.305 -0.749) 1.529 4.586 ( -2.463 -2.114 0.197) 3.252 4.611 ( 3.297 -0.520 -0.606) 3.392 4.663 ( 0.376 3.375 1.172) 3.593 4.767 ( -0.169 4.745 -2.714) 5.469 4.778 ( 0.344 -0.654 5.451) 5.501 4.902 ( -1.011 -1.946 3.366) 4.017 5.002 ( -0.613 -0.562 -3.241) 3.346 5.047 ( 1.095 -2.677 -1.504) 3.260 5.411 ( -1.527 0.645 2.276) 2.816 5.451 ( -1.817 1.595 2.920) 3.791 5.539 ( 1.053 3.903 -1.148) 4.203 5.623 ( 1.197 2.454 0.230) 2.740 5.918 ( 0.722 0.827 1.196) 1.624 5.940 ( 2.745 -2.190 -1.875) 3.981 5.996 ( -0.406 3.774 -1.533) 4.094 6.034 ( -3.740 -1.112 -2.874) 4.846 6.099 ( 2.871 3.429 2.016) 4.905 6.132 ( 1.863 6.238 -0.335) 6.519 6.189 ( -0.432 3.017 2.987) 4.267 6.241 ( -3.046 -0.075 1.715) 3.496 6.514 ( 0.670 3.456 2.644) 4.402 6.576 ( -2.723 0.184 5.038) 5.730 6.756 ( 0.721 5.565 -1.640) 5.847 6.823 ( -0.684 1.180 1.388) 1.946 7.108 ( -3.240 -1.841 2.553) 4.517 7.208 ( 2.194 3.510 3.128) 5.188 7.317 ( 1.681 5.980 -4.806) 7.854 7.446 ( 2.369 2.001 -2.449) 3.952 7.665 ( -4.781 2.424 2.357) 5.856 7.930 ( 6.441 -0.161 -7.735) 10.067 8.167 ( 3.486 -5.840 1.127) 6.894 8.325 ( -5.926 -2.022 -3.137) 7.004 12.118 ( 1.057 1.902 2.438) 3.268 12.164 ( -2.251 1.327 2.082) 3.341 12.455 ( -1.957 -5.518 2.707) 6.451 12.517 ( -1.432 -7.177 1.450) 7.461 12.823 ( -0.623 2.508 -1.592) 3.035 12.838 ( 2.941 1.847 -1.393) 3.742 12.997 ( -0.256 -0.032 0.868) 0.905 13.124 ( 1.941 -3.163 -3.596) 5.167 17.511 ( 1.643 0.088 -0.899) 1.875 17.552 ( -0.624 0.687 -2.307) 2.487 17.590 ( -2.145 -1.707 2.150) 3.484 17.636 ( 1.490 -1.667 0.648) 2.328 18.414 ( -0.019 1.604 0.674) 1.740 18.445 ( -0.289 1.036 1.335) 1.714 18.468 ( 0.681 0.103 -1.277) 1.451 18.499 ( -0.099 0.010 -0.548) 0.557 20.844 ( 0.293 -0.255 0.354) 0.525 20.868 ( -0.397 -1.403 -0.609) 1.580 21.135 ( 0.110 -0.355 0.373) 0.527 21.156 ( -0.164 -1.376 -0.459) 1.460 21.425 ( -0.348 -0.726 0.316) 0.865 21.440 ( 0.395 -1.136 -0.233) 1.225 21.514 ( 0.447 -1.068 0.392) 1.223 21.531 ( -0.356 -1.550 -0.208) 1.604 22.626 ( -1.482 0.175 0.883) 1.734 22.647 ( 0.671 -0.246 1.210) 1.406 22.688 ( 0.559 0.401 -0.908) 1.139 22.713 ( -0.136 -0.788 -1.244) 1.479 29.259 ( -0.107 -0.414 -0.169) 0.459 29.260 ( 0.001 -0.429 -0.192) 0.470 29.272 ( 0.059 -0.630 0.310) 0.704 29.285 ( 0.111 -0.926 -0.221) 0.958 32.832 ( 1.243 -1.169 0.857) 1.909 33.007 ( 2.830 -3.876 -4.713) 6.726 33.117 ( 1.240 -9.198 6.099) 11.106 33.317 ( -4.528 -12.247 -1.728) 13.171 35.931 ( 0.362 0.793 0.707) 1.123 35.971 ( -0.290 1.904 -0.794) 2.084 36.101 ( -0.383 -4.994 3.279) 5.987 36.250 ( 0.166 -8.350 -2.509) 8.720 39.684 ( 1.090 6.269 1.156) 6.467 39.720 ( -1.457 4.266 -0.203) 4.512 39.930 ( 1.030 9.773 -0.944) 9.872 39.946 ( -1.041 8.260 -1.466) 8.453 40.738 ( 1.441 14.853 7.496) 16.699 40.788 ( -1.288 13.317 8.377) 15.785 41.119 ( -5.092 14.272 -6.933) 16.664 41.232 ( 5.916 10.294 -8.189) 14.423 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -8.995 9.141 2.050) 12.987 1.582 ( 3.623 4.829 -5.622) 8.249 1.629 ( 2.597 4.818 -4.100) 6.839 1.650 ( -1.476 6.290 1.514) 6.636 1.814 ( -2.304 0.292 4.502) 5.066 1.836 ( -2.293 7.517 2.317) 8.194 1.938 ( -3.546 1.695 3.432) 5.218 2.020 ( 0.353 2.958 -4.873) 5.712 2.193 ( -6.575 1.892 3.210) 7.558 2.264 ( -7.410 2.852 -0.088) 7.940 2.384 ( -6.763 4.228 -1.163) 8.060 2.463 ( -9.901 1.574 -1.218) 10.099 2.571 ( -3.948 1.293 -9.976) 10.807 2.666 ( -4.168 -0.474 -0.985) 4.309 2.799 ( -6.888 -0.983 2.812) 7.505 2.884 ( 1.258 -1.459 -2.113) 2.859 3.032 ( -1.612 1.134 1.380) 2.406 3.177 ( 1.671 2.394 -1.024) 3.094 3.324 ( 3.277 1.811 -5.529) 6.678 3.397 ( 7.544 0.916 0.781) 7.639 3.409 ( 8.385 -2.413 -1.029) 8.786 3.530 ( 4.967 -1.173 3.010) 5.925 3.553 ( 0.948 1.839 2.591) 3.316 3.664 ( 7.140 -0.646 0.310) 7.176 4.137 ( 0.114 3.608 -2.232) 4.244 4.223 ( 0.752 0.479 -0.246) 0.925 4.285 ( -0.928 -2.035 -1.282) 2.578 4.319 ( 0.060 -1.232 -1.042) 1.615 4.545 ( -0.799 -0.924 -1.831) 2.201 4.619 ( -1.288 -1.896 -0.333) 2.316 4.711 ( 2.888 4.330 2.220) 5.659 4.761 ( -1.379 0.905 5.939) 6.164 4.812 ( 3.421 0.622 -2.051) 4.037 4.867 ( -2.334 -1.145 3.139) 4.075 4.965 ( -2.524 -0.881 -5.856) 6.438 5.058 ( -0.379 -1.878 0.718) 2.046 5.343 ( -3.964 1.974 1.566) 4.697 5.407 ( -2.510 1.918 1.903) 3.688 5.582 ( 2.439 2.413 0.218) 3.438 5.642 ( 0.479 2.837 0.543) 2.928 5.880 ( -2.809 0.158 0.549) 2.866 5.924 ( -4.297 1.118 -2.560) 5.125 5.968 ( -2.111 -5.331 0.297) 5.742 6.006 ( 0.829 3.002 0.013) 3.114 6.138 ( 1.239 2.700 3.766) 4.797 6.174 ( -1.048 2.522 2.986) 4.047 6.216 ( 4.050 3.665 -0.776) 5.517 6.268 ( 4.958 2.422 -1.019) 5.611 6.520 ( -2.662 -0.040 4.851) 5.533 6.538 ( 1.714 4.709 2.599) 5.646 6.747 ( -0.561 5.100 -0.236) 5.136 6.861 ( 3.148 1.024 -2.064) 3.901 6.922 ( -12.053 3.155 0.607) 12.474 7.234 ( -3.384 2.041 3.573) 5.328 7.331 ( 2.343 4.208 -6.636) 8.200 7.467 ( -0.774 -0.008 4.093) 4.166 7.631 ( 1.898 3.323 -3.301) 5.054 8.006 ( -3.221 -2.689 -0.496) 4.225 8.180 ( 5.309 -3.255 -0.517) 6.249 8.387 ( 7.700 0.403 -4.809) 9.087 12.121 ( -0.618 0.533 2.855) 2.969 12.167 ( 2.207 1.584 1.250) 2.990 12.411 ( -2.209 -5.987 0.658) 6.416 12.483 ( -1.856 -6.505 0.606) 6.792 12.822 ( 0.451 2.396 -1.374) 2.799 12.899 ( 3.055 1.964 0.084) 3.633 12.970 ( -2.421 0.381 0.398) 2.482 13.141 ( -0.216 -2.299 -1.907) 2.995 17.530 ( -0.313 -0.131 -1.515) 1.553 17.546 ( -0.951 -0.563 0.055) 1.107 17.558 ( 0.618 -0.153 -0.175) 0.661 17.655 ( 0.188 -2.339 1.430) 2.748 18.410 ( -0.320 1.695 0.551) 1.810 18.437 ( -0.493 1.103 1.127) 1.652 18.483 ( 0.805 -0.816 -1.123) 1.605 18.496 ( -0.180 0.624 -0.199) 0.679 20.849 ( 0.084 -0.482 0.143) 0.510 20.862 ( 0.069 -0.898 -0.314) 0.954 21.137 ( 0.109 -0.427 0.357) 0.567 21.152 ( -0.137 -1.107 -0.391) 1.182 21.374 ( -3.280 -0.128 0.183) 3.287 21.403 ( -3.436 -1.457 -0.053) 3.733 21.548 ( 2.494 -0.916 -0.054) 2.658 21.569 ( 2.494 -1.692 0.136) 3.017 22.577 ( -2.779 0.740 0.625) 2.943 22.625 ( -1.827 0.843 -0.153) 2.019 22.721 ( 2.038 -0.592 -0.177) 2.130 22.738 ( 1.793 -1.096 -0.690) 2.212 29.257 ( -0.069 -0.389 -0.059) 0.399 29.261 ( 0.067 -0.439 -0.193) 0.485 29.273 ( 0.030 -0.719 0.185) 0.743 29.286 ( -0.003 -0.963 -0.158) 0.976 32.866 ( 2.055 -1.817 0.171) 2.749 33.022 ( -1.464 -4.970 -0.480) 5.204 33.126 ( -1.495 -10.082 8.100) 13.019 33.289 ( 2.881 -11.850 -6.722) 13.925 35.942 ( 0.701 0.833 0.851) 1.382 35.973 ( 0.501 1.687 -0.951) 2.000 36.078 ( -1.973 -4.466 3.004) 5.733 36.240 ( -1.039 -7.793 -2.297) 8.191 39.615 ( -4.131 4.171 0.915) 5.941 39.679 ( -3.033 2.106 -0.200) 3.698 39.973 ( 3.898 11.604 -1.303) 12.311 40.034 ( 3.888 9.922 -1.666) 10.786 40.394 ( -17.116 10.555 4.150) 20.533 40.535 ( -19.547 8.137 0.823) 21.189 41.307 ( 20.215 22.193 6.266) 30.666 41.832 ( 35.011 7.851 -10.578) 37.407 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -7.119 14.066 5.745) 16.779 1.535 ( -3.355 1.540 -1.668) 4.051 1.633 ( -5.510 9.814 4.242) 12.027 1.691 ( 2.699 1.473 -1.137) 3.278 1.773 ( 0.490 2.161 -1.418) 2.631 1.847 ( 1.055 2.140 0.902) 2.551 1.891 ( -1.024 0.675 -6.608) 6.721 2.017 ( -1.273 -4.423 -4.329) 6.318 2.080 ( -3.873 -0.681 4.661) 6.098 2.114 ( -3.608 -2.609 -0.380) 4.469 2.208 ( -7.298 1.679 -0.364) 7.498 2.338 ( -3.749 5.377 -4.491) 7.945 2.495 ( -9.568 -3.899 -3.673) 10.965 2.538 ( 0.281 3.331 -10.870) 11.373 2.718 ( -1.453 5.077 5.077) 7.326 2.941 ( 3.432 -2.033 0.186) 3.993 2.973 ( -3.352 3.714 1.532) 5.232 3.141 ( -4.382 4.693 0.803) 6.471 3.356 ( -0.128 16.294 0.124) 16.295 3.545 ( 4.470 -9.616 4.010) 11.337 3.553 ( 6.759 6.706 -4.012) 10.332 3.588 ( 1.626 3.474 2.582) 4.624 3.665 ( 6.973 -4.332 -1.351) 8.319 3.762 ( 2.266 -5.579 -1.047) 6.111 4.163 ( 2.106 4.717 -2.112) 5.581 4.222 ( -0.401 0.722 -0.290) 0.875 4.277 ( -0.097 -2.693 -0.765) 2.801 4.308 ( -0.779 -1.088 -2.188) 2.565 4.563 ( 2.256 -0.716 -1.599) 2.856 4.611 ( 0.813 -0.395 1.444) 1.703 4.690 ( -3.417 -1.770 3.989) 5.543 4.778 ( 1.138 1.633 -0.325) 2.017 4.815 ( -1.793 -1.696 2.340) 3.400 4.894 ( 2.480 -1.188 0.977) 2.918 4.909 ( -0.968 2.625 -5.365) 6.050 5.034 ( -2.009 0.030 1.592) 2.564 5.280 ( -2.154 3.051 1.279) 3.948 5.366 ( -1.567 2.023 1.205) 2.829 5.617 ( 0.813 0.744 0.623) 1.266 5.660 ( 1.532 1.559 0.578) 2.261 5.817 ( -3.218 -0.454 0.127) 3.252 5.857 ( -2.422 1.134 -1.250) 2.952 5.918 ( -1.234 -1.750 1.421) 2.570 6.046 ( 3.369 2.471 1.263) 4.365 6.149 ( -0.921 3.628 1.330) 3.972 6.168 ( -0.217 3.150 3.361) 4.612 6.255 ( -1.621 -1.232 3.023) 3.644 6.331 ( 1.660 0.315 0.806) 1.872 6.499 ( 0.406 2.462 1.104) 2.728 6.596 ( 3.403 2.979 0.900) 4.611 6.685 ( -7.469 5.004 -1.859) 9.180 6.748 ( -0.689 5.512 0.229) 5.560 6.925 ( 2.262 0.383 -2.080) 3.096 7.124 ( -6.491 -0.768 0.529) 6.558 7.385 ( -7.224 1.738 5.318) 9.137 7.425 ( 5.126 6.127 -4.409) 9.125 7.663 ( 2.279 -1.856 3.037) 4.226 7.971 ( 1.046 -0.730 -4.692) 4.862 8.318 ( 6.110 0.047 -0.109) 6.111 8.501 ( 3.725 1.482 -5.067) 6.462 12.124 ( 0.528 -0.214 3.363) 3.411 12.211 ( 1.503 0.863 0.393) 1.778 12.391 ( 0.820 -5.933 -2.349) 6.434 12.453 ( -0.936 -5.891 -1.934) 6.271 12.835 ( 0.949 1.960 -0.045) 2.178 12.906 ( -3.867 0.947 0.953) 4.094 12.955 ( 2.547 2.015 1.473) 3.566 13.110 ( -2.791 -1.109 0.079) 3.005 17.506 ( -1.762 -0.400 1.361) 2.263 17.529 ( -0.040 0.024 -1.639) 1.639 17.593 ( 1.936 -0.613 -0.764) 2.170 17.644 ( -1.160 -2.001 1.408) 2.707 18.405 ( -0.255 1.210 0.792) 1.469 18.429 ( -0.357 1.600 0.610) 1.750 18.490 ( -0.397 0.794 0.194) 0.909 18.495 ( 0.447 -1.190 -0.891) 1.552 20.851 ( 0.328 -0.209 -0.137) 0.412 20.869 ( 0.327 -0.779 0.197) 0.867 21.141 ( 0.278 -0.466 0.132) 0.559 21.151 ( 0.036 -0.807 -0.074) 0.811 21.316 ( -2.340 0.004 0.072) 2.341 21.334 ( -3.121 -0.789 -0.078) 3.220 21.592 ( 1.773 -1.030 -0.050) 2.051 21.607 ( 1.213 -1.598 0.115) 2.009 22.531 ( -1.668 1.248 0.695) 2.196 22.597 ( -0.739 1.536 -1.500) 2.270 22.753 ( 1.038 -1.587 0.201) 1.908 22.768 ( 1.176 -1.185 -0.593) 1.771 29.255 ( -0.091 -0.394 0.126) 0.424 29.263 ( 0.198 -0.526 -0.306) 0.640 29.274 ( 0.023 -0.711 0.129) 0.723 29.284 ( -0.170 -0.973 -0.080) 0.990 32.911 ( 2.439 -2.303 0.290) 3.367 32.974 ( -2.683 -1.369 1.143) 3.222 33.061 ( -5.402 -9.866 11.317) 15.956 33.393 ( 6.800 -17.647 -10.401) 21.584 35.962 ( 1.126 0.418 0.944) 1.528 35.988 ( 1.075 1.350 -1.095) 2.044 36.037 ( -2.068 -3.088 2.921) 4.727 36.206 ( -1.995 -6.429 -2.300) 7.113 39.574 ( 0.100 2.576 1.107) 2.805 39.647 ( 0.251 0.262 -0.459) 0.585 39.924 ( -9.508 6.611 -0.639) 11.598 39.980 ( -8.224 5.245 -2.220) 10.004 40.223 ( -0.571 13.384 2.619) 13.650 40.341 ( -0.285 11.387 0.319) 11.395 41.662 ( 13.385 25.730 11.695) 31.273 42.444 ( 24.801 0.926 -16.309) 29.697 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 1.781 8.913 6.102) 10.947 1.526 ( 2.749 0.327 2.021) 3.428 1.661 ( -1.652 2.965 0.047) 3.394 1.730 ( 0.906 -2.769 0.150) 2.917 1.763 ( -0.848 2.112 -2.284) 3.224 1.846 ( -0.050 -7.255 1.075) 7.334 1.921 ( 0.972 2.837 -2.152) 3.691 1.969 ( 1.131 -0.121 1.937) 2.246 2.031 ( 1.580 5.402 -6.507) 8.603 2.051 ( -1.056 0.381 -1.851) 2.165 2.125 ( 1.818 -2.065 -0.394) 2.779 2.247 ( 0.359 -8.565 -7.292) 11.254 2.434 ( 0.264 6.249 -10.922) 12.586 2.529 ( 0.393 -2.764 -12.656) 12.960 2.847 ( -0.525 4.955 7.122) 8.692 2.918 ( -2.821 -1.961 3.549) 4.939 3.025 ( 1.387 3.084 3.182) 4.643 3.103 ( -1.649 -2.173 0.820) 2.848 3.496 ( 0.180 -0.179 -0.055) 0.260 3.563 ( -0.533 -4.895 -1.413) 5.123 3.602 ( -1.633 3.386 3.181) 4.925 3.637 ( -1.450 0.921 3.190) 3.623 3.708 ( -0.184 2.290 -0.870) 2.457 3.754 ( 0.870 0.045 -2.228) 2.392 4.219 ( 0.047 0.390 -0.642) 0.752 4.232 ( -0.168 -0.031 -0.898) 0.914 4.295 ( -0.182 3.149 1.184) 3.369 4.335 ( 1.565 -0.028 -1.124) 1.927 4.611 ( -1.346 5.418 1.699) 5.836 4.645 ( 0.929 0.516 1.763) 2.058 4.661 ( 1.712 0.436 1.885) 2.584 4.734 ( -0.753 -4.371 0.178) 4.439 4.796 ( 0.428 0.427 -1.161) 1.309 4.829 ( 0.164 -2.848 -1.195) 3.093 4.996 ( 0.118 1.105 -0.153) 1.122 5.010 ( -0.778 0.236 0.025) 0.813 5.333 ( 0.378 2.892 0.675) 2.994 5.369 ( 0.533 -0.615 0.561) 0.989 5.643 ( -0.548 1.697 -0.455) 1.840 5.669 ( -0.468 -0.878 -0.736) 1.238 5.783 ( -0.785 1.330 3.360) 3.698 5.818 ( 0.289 -1.865 3.867) 4.303 6.018 ( 3.669 3.279 2.151) 5.370 6.077 ( -0.532 -2.645 3.241) 4.217 6.139 ( 0.102 2.481 -0.330) 2.505 6.194 ( -0.511 -1.197 -1.157) 1.742 6.255 ( -0.829 1.957 -0.111) 2.128 6.291 ( -0.734 -0.804 0.381) 1.153 6.585 ( 0.154 3.012 0.918) 3.152 6.632 ( 0.993 -1.265 0.213) 1.622 6.772 ( 1.883 2.237 -2.962) 4.162 6.789 ( -0.384 -0.379 -3.258) 3.302 6.908 ( -2.897 5.422 3.194) 6.928 7.000 ( -0.439 -3.396 -0.006) 3.425 7.369 ( -1.833 5.747 2.767) 6.637 7.502 ( 1.180 -7.475 -1.422) 7.700 7.748 ( -0.484 8.308 3.983) 9.226 7.899 ( -0.492 -6.393 -0.274) 6.418 8.460 ( 0.822 3.950 -3.715) 5.485 8.522 ( 0.136 -2.055 -4.921) 5.334 12.170 ( 0.330 3.430 0.907) 3.563 12.233 ( 1.418 -1.190 -1.830) 2.603 12.330 ( 1.212 -2.215 -1.856) 3.133 12.362 ( 2.297 -3.926 -2.795) 5.339 12.861 ( -2.174 1.796 2.573) 3.817 12.881 ( -0.584 0.073 1.539) 1.648 13.017 ( 0.195 0.498 1.627) 1.713 13.028 ( -2.402 -0.681 1.592) 2.961 17.494 ( -0.426 1.522 0.663) 1.714 17.525 ( 0.381 -1.196 -0.630) 1.405 17.601 ( -0.114 0.144 -0.313) 0.363 17.612 ( 0.451 -1.022 -0.444) 1.202 18.423 ( -0.055 1.149 0.554) 1.276 18.443 ( -0.055 -0.460 -0.157) 0.489 18.488 ( 0.071 0.138 0.271) 0.313 18.492 ( -0.326 0.104 0.084) 0.353 20.857 ( 0.092 -0.042 0.069) 0.123 20.860 ( -0.065 -0.310 -0.033) 0.319 21.139 ( -0.020 -0.126 0.076) 0.148 21.141 ( 0.045 -0.315 0.009) 0.318 21.292 ( 0.037 -0.005 -0.024) 0.044 21.293 ( -0.080 -0.089 -0.043) 0.127 21.595 ( 0.108 -0.468 0.029) 0.482 21.596 ( -0.119 -0.533 0.015) 0.546 22.566 ( 0.160 3.055 0.738) 3.146 22.611 ( 0.133 -0.526 -0.797) 0.965 22.729 ( -0.082 -0.591 -0.131) 0.611 22.747 ( -0.010 -1.762 -0.684) 1.890 29.252 ( -0.064 0.234 0.078) 0.255 29.260 ( 0.164 -0.283 -0.215) 0.392 29.263 ( -0.119 -0.446 0.029) 0.462 29.265 ( 0.010 -0.379 0.003) 0.379 32.882 ( -1.420 -0.369 5.050) 5.259 32.908 ( 0.862 -2.256 1.463) 2.823 32.980 ( -0.658 4.131 -1.337) 4.391 33.139 ( 1.054 -12.592 -4.717) 13.488 35.967 ( -0.413 0.361 1.188) 1.308 35.983 ( 0.379 -1.288 1.803) 2.248 36.043 ( 0.217 1.919 -0.963) 2.158 36.093 ( -0.075 -3.142 -1.796) 3.620 39.641 ( 0.329 1.819 1.011) 2.107 39.668 ( 0.550 -0.742 0.158) 0.937 39.839 ( -0.570 1.873 -0.626) 2.056 39.865 ( -0.211 -0.649 -1.560) 1.703 40.485 ( 0.010 7.983 2.328) 8.316 40.534 ( -0.175 3.388 0.719) 3.468 42.257 ( -0.067 18.157 3.828) 18.556 42.548 ( -0.084 -10.782 -7.234) 12.985 ======================= Grid point 88 (46/70) ======================= q-point: ( 0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 4.307 9.793 4.203) 11.494 1.623 ( 6.463 0.953 -2.004) 6.834 1.712 ( 7.346 5.984 2.321) 9.755 1.753 ( 0.624 1.775 -1.672) 2.517 1.772 ( 1.802 1.816 -1.896) 3.184 1.841 ( -0.978 -7.429 7.819) 10.830 1.966 ( 1.684 1.701 -3.657) 4.371 2.016 ( 3.950 -4.036 0.280) 5.654 2.097 ( 7.364 3.178 -5.435) 9.688 2.133 ( 6.401 -0.161 -3.822) 7.457 2.214 ( 9.410 1.852 1.670) 9.735 2.334 ( 6.621 -7.569 -7.566) 12.585 2.477 ( 4.454 4.670 -6.773) 9.356 2.563 ( 5.124 -1.921 -12.771) 13.894 2.843 ( -0.552 2.991 5.657) 6.423 2.881 ( -0.949 -0.756 3.359) 3.571 3.006 ( -3.683 0.803 2.311) 4.421 3.052 ( -3.422 -2.129 2.115) 4.551 3.440 ( -5.998 1.873 -1.362) 6.430 3.512 ( -4.270 -4.165 -2.900) 6.632 3.527 ( -5.548 3.512 3.778) 7.576 3.577 ( -4.585 -1.807 3.304) 5.933 3.681 ( -2.524 3.024 -1.045) 4.075 3.727 ( -3.110 -0.810 -1.026) 3.373 4.222 ( 0.037 1.677 -0.350) 1.714 4.241 ( 1.217 0.228 -0.777) 1.462 4.267 ( -1.965 2.039 0.322) 2.850 4.341 ( -0.566 -2.280 -0.658) 2.440 4.572 ( -1.868 6.054 0.475) 6.353 4.672 ( -0.449 -2.130 2.828) 3.568 4.700 ( 1.903 -0.383 3.481) 3.986 4.707 ( -0.944 -1.989 -1.017) 2.425 4.813 ( 1.101 0.426 -1.059) 1.586 4.844 ( 0.942 -2.553 -0.330) 2.741 4.986 ( -0.052 2.524 -1.917) 3.170 5.016 ( 0.709 -0.505 0.100) 0.876 5.362 ( 2.373 2.746 1.335) 3.867 5.402 ( 2.500 -0.750 0.481) 2.654 5.627 ( -0.917 1.712 -0.837) 2.116 5.656 ( -0.513 -0.728 -1.229) 1.518 5.787 ( 1.139 2.653 2.962) 4.136 5.847 ( 2.163 -2.730 3.456) 4.907 6.005 ( -1.496 1.166 1.096) 2.190 6.052 ( -1.467 -3.173 1.278) 3.722 6.169 ( -1.490 2.223 -0.167) 2.682 6.185 ( 2.223 -0.066 2.290) 3.192 6.303 ( 0.380 2.228 1.734) 2.849 6.312 ( 3.464 1.578 -0.695) 3.869 6.570 ( -1.583 2.918 1.901) 3.826 6.630 ( -1.968 -3.052 1.070) 3.786 6.816 ( 2.731 1.701 -2.031) 3.805 6.826 ( 3.414 0.085 -4.030) 5.282 6.903 ( 3.472 7.574 1.404) 8.449 7.038 ( 4.785 -5.584 -0.146) 7.355 7.352 ( 0.446 7.585 1.264) 7.703 7.502 ( -0.999 -7.539 0.394) 7.615 7.710 ( -3.154 8.231 2.807) 9.251 7.860 ( -3.002 -6.828 0.030) 7.459 8.412 ( -5.108 4.872 -3.753) 7.995 8.492 ( -3.007 -3.050 -5.003) 6.585 12.174 ( 0.227 4.849 0.933) 4.943 12.279 ( 2.688 -1.974 -0.713) 3.410 12.330 ( -0.963 -1.187 -1.212) 1.951 12.404 ( 1.316 -5.146 -1.059) 5.416 12.826 ( -0.874 2.757 1.117) 3.101 12.878 ( 0.074 -2.200 1.133) 2.476 12.984 ( -1.618 2.039 0.970) 2.778 13.022 ( 0.065 -1.583 0.841) 1.794 17.493 ( 0.329 2.084 0.417) 2.151 17.536 ( 0.770 -1.814 -0.325) 1.997 17.595 ( -0.347 0.722 -0.664) 1.041 17.616 ( -0.190 -1.422 0.053) 1.436 18.426 ( 0.353 1.266 0.461) 1.393 18.448 ( 0.545 -0.534 -0.160) 0.779 18.483 ( -0.436 0.406 0.121) 0.608 18.489 ( -0.099 -0.192 0.089) 0.234 20.851 ( -0.501 0.113 -0.028) 0.514 20.857 ( -0.237 -0.510 0.040) 0.564 21.135 ( -0.283 0.059 0.041) 0.292 21.140 ( -0.117 -0.522 0.016) 0.535 21.317 ( 2.358 0.178 0.003) 2.364 21.322 ( 2.590 -0.342 -0.036) 2.612 21.579 ( -1.572 -0.257 0.009) 1.593 21.583 ( -1.343 -0.690 0.038) 1.510 22.582 ( 1.276 2.479 0.794) 2.899 22.618 ( 0.621 -0.395 -0.563) 0.927 22.721 ( -0.681 -0.376 -0.240) 0.814 22.740 ( -0.697 -1.653 -0.685) 1.920 29.252 ( -0.009 0.093 -0.007) 0.093 29.258 ( -0.219 -0.531 -0.044) 0.576 29.264 ( 0.133 -0.078 -0.055) 0.164 29.267 ( 0.155 -0.339 -0.014) 0.373 32.853 ( -1.435 1.979 3.548) 4.309 32.918 ( -0.151 -3.655 1.825) 4.088 32.984 ( 1.097 4.033 -1.352) 4.393 33.149 ( 0.132 -12.898 -3.687) 13.416 35.961 ( -0.272 1.352 1.223) 1.843 35.996 ( 0.707 -2.208 1.795) 2.932 36.039 ( -0.438 2.179 -0.961) 2.422 36.099 ( 0.635 -3.825 -1.798) 4.274 39.622 ( 0.304 2.086 0.611) 2.195 39.654 ( 0.475 -0.960 0.213) 1.092 40.000 ( 13.101 3.584 -1.022) 13.621 40.042 ( 14.201 -0.462 -1.803) 14.322 40.447 ( -2.651 6.844 2.792) 7.853 40.483 ( -3.782 3.511 1.476) 5.367 42.096 ( -15.901 16.510 3.303) 23.159 42.346 ( -19.014 -8.091 -6.646) 21.706 ======================= Grid point 89 (47/70) ======================= q-point: ( 0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 1.174 10.635 1.717) 10.837 1.718 ( 0.127 2.538 -2.976) 3.913 1.778 ( 0.397 1.336 1.419) 1.989 1.796 ( 1.100 3.743 -3.837) 5.472 1.826 ( 3.036 -2.106 0.308) 3.708 1.864 ( 3.214 -1.195 4.315) 5.512 2.033 ( 5.249 4.658 -3.856) 8.008 2.107 ( 4.268 -1.678 -1.261) 4.757 2.208 ( 5.529 4.073 4.059) 7.977 2.314 ( 11.099 -2.293 -2.210) 11.547 2.468 ( 13.186 0.020 -1.091) 13.231 2.490 ( 8.686 -2.063 0.793) 8.963 2.580 ( 5.825 8.473 -4.749) 11.326 2.710 ( 8.490 -2.914 -9.145) 12.814 2.820 ( -3.935 6.122 4.858) 8.750 2.852 ( -1.842 -0.788 -3.719) 4.224 2.916 ( -3.639 -6.790 0.335) 7.711 2.987 ( -2.504 -8.574 2.435) 9.258 3.276 ( -8.614 8.764 -0.345) 12.294 3.403 ( -6.016 -2.427 -5.044) 8.217 3.418 ( -4.448 -0.454 0.637) 4.517 3.461 ( -7.487 -5.179 6.280) 11.060 3.618 ( -3.117 2.172 -1.117) 3.960 3.653 ( -3.703 -1.451 -0.948) 4.089 4.213 ( -0.788 3.999 0.701) 4.136 4.245 ( -0.158 0.385 -0.815) 0.915 4.270 ( 1.379 -0.718 -0.490) 1.630 4.320 ( -1.573 -2.501 0.575) 3.010 4.548 ( -0.299 2.587 -0.792) 2.722 4.607 ( -3.770 -2.948 0.815) 4.854 4.735 ( 2.036 1.432 1.001) 2.683 4.739 ( 1.677 -0.330 3.839) 4.202 4.830 ( 0.638 0.514 -0.161) 0.835 4.853 ( -0.040 -1.265 0.331) 1.308 4.993 ( 0.736 2.158 -2.403) 3.312 5.028 ( 0.187 -0.969 -1.042) 1.436 5.415 ( 2.336 1.941 2.145) 3.718 5.449 ( 1.603 -1.155 1.573) 2.526 5.614 ( 0.050 3.120 -2.660) 4.101 5.651 ( 0.141 0.159 -2.338) 2.348 5.833 ( 3.141 2.307 2.445) 4.600 5.897 ( 2.345 -2.849 2.668) 4.553 6.014 ( 1.773 0.111 -0.558) 1.862 6.037 ( -0.250 -1.925 -0.883) 2.132 6.139 ( -0.914 3.158 1.873) 3.784 6.207 ( -1.027 -3.173 2.085) 3.933 6.278 ( -2.229 4.541 1.820) 5.376 6.312 ( -3.264 1.266 0.066) 3.502 6.545 ( -0.371 1.700 3.839) 4.215 6.585 ( -1.818 -2.256 3.857) 4.824 6.839 ( 0.500 3.192 -0.961) 3.371 6.867 ( 0.370 -0.223 -2.422) 2.461 7.039 ( 6.598 4.874 1.840) 8.407 7.147 ( 4.175 -4.347 -0.071) 6.028 7.409 ( 3.767 4.707 -1.081) 6.125 7.478 ( -1.038 -2.208 -0.466) 2.484 7.682 ( 2.663 7.080 0.431) 7.577 7.822 ( 0.856 -6.525 -0.215) 6.584 8.271 ( -8.169 6.391 -3.816) 11.052 8.390 ( -6.893 -4.931 -4.920) 9.799 12.183 ( 0.538 5.894 1.814) 6.190 12.285 ( -2.776 4.193 0.935) 5.115 12.328 ( 1.442 -7.098 1.425) 7.382 12.402 ( -1.442 -6.155 1.353) 6.465 12.835 ( 1.558 2.592 -0.967) 3.175 12.876 ( -0.460 -0.924 -0.211) 1.053 12.979 ( 1.047 1.385 -0.342) 1.769 13.026 ( 0.586 -2.818 -1.422) 3.211 17.506 ( 0.828 1.907 0.276) 2.097 17.551 ( 0.575 -2.295 0.324) 2.388 17.586 ( -0.511 0.732 -0.848) 1.231 17.606 ( -0.665 -1.102 0.068) 1.289 18.436 ( 0.604 1.435 0.348) 1.595 18.460 ( 0.542 -0.507 -0.032) 0.743 18.474 ( -0.455 0.692 0.074) 0.832 18.487 ( -0.023 -0.570 -0.299) 0.644 20.843 ( -0.210 0.239 0.002) 0.318 20.852 ( -0.206 -0.692 -0.034) 0.723 21.131 ( -0.090 0.089 0.060) 0.140 21.138 ( -0.104 -0.642 -0.048) 0.652 21.374 ( 3.168 0.214 0.069) 3.176 21.382 ( 3.182 -0.553 -0.039) 3.230 21.537 ( -2.441 -0.007 0.023) 2.441 21.545 ( -2.347 -0.802 0.022) 2.480 22.613 ( 1.653 1.248 0.976) 2.290 22.633 ( 0.815 -0.323 0.149) 0.889 22.704 ( -0.952 0.247 -0.680) 1.196 22.720 ( -1.115 -1.135 -0.801) 1.782 29.252 ( 0.049 -0.107 -0.075) 0.139 29.254 ( -0.154 -0.333 -0.033) 0.368 29.266 ( 0.055 -0.023 0.058) 0.083 29.270 ( 0.119 -0.377 -0.098) 0.408 32.836 ( -0.511 2.419 2.501) 3.517 32.911 ( -0.447 -4.357 1.382) 4.593 33.012 ( 1.552 2.360 -1.163) 3.055 33.139 ( -0.798 -10.326 -2.627) 10.685 35.958 ( -0.066 2.007 1.240) 2.360 36.010 ( 0.481 -3.074 1.904) 3.648 36.030 ( -0.348 2.853 -1.063) 3.064 36.108 ( 0.404 -4.977 -1.771) 5.298 39.683 ( 5.347 2.749 0.572) 6.039 39.714 ( 5.051 -0.278 0.380) 5.073 40.136 ( -3.208 5.751 -1.727) 6.808 40.176 ( -4.548 1.979 -2.024) 5.357 40.567 ( 17.901 5.335 3.763) 19.054 40.607 ( 20.838 1.383 2.619) 21.047 41.676 ( -25.006 12.939 1.311) 28.185 41.845 ( -29.173 -3.442 -5.425) 29.872 ======================= Grid point 90 (48/70) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.011 7.195 1.019) 7.267 1.693 ( -1.953 1.710 -1.510) 3.003 1.752 ( -1.534 2.575 1.728) 3.459 1.788 ( -1.752 5.620 -1.249) 6.018 1.850 ( -0.550 -3.735 -0.395) 3.796 1.887 ( -1.504 -1.225 -2.679) 3.308 2.092 ( 0.721 5.444 -4.508) 7.105 2.151 ( -0.332 3.377 2.440) 4.180 2.351 ( 4.861 6.582 4.086) 9.146 2.482 ( 0.929 -0.333 3.242) 3.389 2.498 ( -6.966 0.971 3.144) 7.705 2.574 ( -6.504 2.320 -1.576) 7.083 2.644 ( 1.185 2.729 -1.871) 3.515 2.791 ( 6.482 2.499 -0.029) 6.948 2.801 ( -5.060 -5.893 -3.435) 8.493 2.876 ( 3.082 -3.918 -3.129) 5.885 2.908 ( 2.633 -0.371 -5.304) 5.933 2.978 ( 6.574 -5.755 -4.529) 9.841 3.198 ( 1.802 2.289 1.841) 3.446 3.271 ( -7.257 -4.696 0.910) 8.691 3.351 ( 0.872 0.878 0.594) 1.373 3.407 ( 2.447 -3.745 1.305) 4.660 3.586 ( 0.584 1.014 -1.078) 1.591 3.609 ( 0.021 -0.898 -1.349) 1.621 4.201 ( -0.435 3.290 1.089) 3.493 4.247 ( 0.117 -0.339 -0.986) 1.049 4.281 ( -1.306 -0.264 0.743) 1.525 4.291 ( -0.047 -0.617 0.189) 0.647 4.553 ( -0.895 -0.712 -0.232) 1.167 4.559 ( 0.380 -1.482 -0.530) 1.619 4.758 ( 0.026 1.259 3.354) 3.583 4.777 ( 1.709 0.876 2.238) 2.949 4.840 ( 0.177 1.596 -0.603) 1.715 4.848 ( -0.150 -0.894 0.808) 1.214 5.004 ( 0.128 0.422 -1.330) 1.402 5.016 ( -0.781 -0.783 -2.554) 2.783 5.434 ( -1.037 1.442 2.271) 2.883 5.458 ( -0.733 -0.651 2.578) 2.758 5.625 ( 0.936 3.585 -3.486) 5.088 5.658 ( 0.732 0.492 -3.080) 3.204 5.896 ( 2.072 0.148 2.426) 3.194 5.924 ( -0.554 -1.579 2.400) 2.926 6.012 ( -2.992 -0.349 -2.165) 3.709 6.020 ( -1.778 -0.737 -1.744) 2.598 6.151 ( 1.433 1.692 2.884) 3.638 6.180 ( -0.178 -0.936 1.516) 1.790 6.248 ( 0.231 2.435 1.151) 2.703 6.261 ( 0.079 1.308 1.157) 1.748 6.553 ( 0.158 0.916 4.758) 4.848 6.568 ( -0.385 -0.415 4.992) 5.024 6.846 ( 0.080 3.105 -1.909) 3.646 6.865 ( 0.367 1.457 -0.632) 1.630 7.090 ( -1.693 1.680 3.424) 4.173 7.174 ( -0.933 -5.053 1.884) 5.473 7.441 ( 0.472 3.871 -1.775) 4.285 7.469 ( 0.862 0.507 -1.172) 1.540 7.781 ( 1.544 7.605 -0.475) 7.775 7.913 ( 5.726 -4.198 -3.878) 8.090 8.148 ( -1.619 4.247 -2.611) 5.241 8.256 ( -2.721 -4.911 -5.014) 7.527 12.196 ( 0.355 5.364 2.432) 5.900 12.227 ( -2.483 4.375 1.690) 5.307 12.335 ( -1.525 -5.852 2.870) 6.694 12.367 ( -1.365 -7.144 1.624) 7.452 12.867 ( 0.088 1.604 -1.151) 1.976 12.875 ( 1.915 1.120 -1.150) 2.499 13.000 ( 0.632 1.013 -0.834) 1.457 13.051 ( 1.860 -3.639 -2.572) 4.829 17.522 ( 0.609 1.007 0.246) 1.202 17.550 ( -0.809 -1.575 0.950) 2.010 17.575 ( -0.451 1.004 -0.967) 1.465 17.602 ( 0.429 -1.592 -0.269) 1.671 18.445 ( 0.034 1.319 0.467) 1.400 18.464 ( -0.067 -0.541 -0.218) 0.587 18.468 ( -0.043 1.199 0.125) 1.207 18.490 ( 0.370 -0.847 -0.469) 1.036 20.842 ( 0.089 0.112 0.102) 0.175 20.849 ( -0.110 -0.579 -0.153) 0.609 21.131 ( 0.030 0.001 0.105) 0.109 21.136 ( -0.054 -0.604 -0.113) 0.617 21.419 ( -0.021 0.010 0.127) 0.129 21.424 ( 0.059 -0.470 -0.056) 0.477 21.504 ( 0.070 -0.089 0.118) 0.164 21.509 ( -0.063 -0.641 -0.089) 0.650 22.633 ( -0.722 0.419 1.011) 1.310 22.641 ( 0.153 -0.371 1.049) 1.123 22.697 ( 0.533 0.367 -1.090) 1.268 22.703 ( -0.109 -0.297 -1.169) 1.211 29.252 ( -0.042 -0.158 -0.054) 0.172 29.253 ( 0.071 -0.236 -0.079) 0.259 29.266 ( -0.043 0.005 0.075) 0.086 29.271 ( 0.031 -0.454 -0.105) 0.467 32.836 ( 0.334 1.752 1.978) 2.664 32.906 ( -0.117 -5.106 1.615) 5.357 33.037 ( 0.973 0.695 -1.372) 1.820 33.118 ( -1.057 -7.121 -2.242) 7.540 35.959 ( 0.042 2.035 1.288) 2.409 36.015 ( -0.250 -3.349 1.938) 3.878 36.025 ( -0.056 3.235 -1.142) 3.431 36.112 ( 0.135 -5.447 -1.749) 5.722 39.774 ( 0.466 2.475 0.863) 2.662 39.782 ( -0.925 1.573 0.581) 1.916 40.067 ( 1.385 3.522 -1.376) 4.027 40.069 ( -1.212 3.333 -1.392) 3.810 40.954 ( 0.160 6.124 6.838) 9.180 40.972 ( -0.074 4.399 6.947) 8.223 41.306 ( -1.832 5.072 -6.115) 8.153 41.343 ( 2.290 1.375 -6.630) 7.148 ======================= Grid point 91 (49/70) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -3.659 5.603 1.319) 6.820 1.644 ( -3.371 -0.340 -0.662) 3.452 1.733 ( -1.945 4.982 0.090) 5.349 1.742 ( -0.307 4.475 -2.486) 5.129 1.815 ( -2.861 -1.923 -1.935) 3.953 1.849 ( -0.838 -4.372 -2.019) 4.888 2.040 ( -6.430 6.254 5.510) 10.527 2.088 ( -4.430 3.643 0.373) 5.748 2.240 ( -10.529 3.492 2.179) 11.305 2.362 ( -10.797 5.108 0.866) 11.975 2.372 ( -7.666 -5.781 -6.626) 11.666 2.460 ( -5.125 -1.312 0.226) 5.295 2.587 ( -8.206 1.113 -6.544) 10.555 2.636 ( -5.067 -1.936 -4.544) 7.076 2.870 ( -0.031 4.727 2.959) 5.577 2.893 ( 2.597 4.296 -0.358) 5.032 2.986 ( 1.355 -3.516 -1.018) 3.903 3.121 ( 1.749 -12.464 -0.559) 12.598 3.236 ( 8.354 3.764 -1.256) 9.248 3.331 ( 9.491 -4.527 0.213) 10.518 3.472 ( 8.686 2.161 -1.058) 9.013 3.500 ( 5.902 -0.444 2.443) 6.404 3.639 ( 3.774 0.744 -0.050) 3.847 3.645 ( 2.925 0.143 -0.624) 2.994 4.205 ( 1.058 2.674 0.947) 3.028 4.245 ( -0.231 -0.572 -0.937) 1.122 4.259 ( -0.466 0.635 0.325) 0.852 4.288 ( -0.616 -1.346 0.278) 1.506 4.550 ( 1.061 1.126 -0.569) 1.648 4.578 ( 1.197 -1.711 0.593) 2.171 4.743 ( -1.775 1.611 3.391) 4.153 4.788 ( -0.944 -1.724 2.847) 3.460 4.833 ( -1.270 1.317 -2.175) 2.842 4.851 ( 0.479 0.481 0.399) 0.787 4.978 ( -1.207 1.858 -3.385) 4.046 5.023 ( 0.722 -2.103 0.247) 2.237 5.393 ( -2.642 2.532 1.494) 3.953 5.424 ( -2.470 -0.295 1.873) 3.114 5.640 ( 0.729 2.565 -2.325) 3.538 5.669 ( 0.359 -0.197 -2.218) 2.255 5.869 ( -3.751 -0.010 2.599) 4.563 5.891 ( -2.856 -2.153 3.317) 4.878 5.946 ( -2.080 1.186 -1.175) 2.667 5.991 ( -0.411 -2.744 -0.842) 2.899 6.179 ( 0.769 1.218 2.760) 3.113 6.195 ( 1.674 -0.101 0.757) 1.840 6.291 ( 1.198 3.094 1.629) 3.696 6.314 ( 4.420 0.984 -0.085) 4.529 6.544 ( -0.516 2.416 4.405) 5.050 6.582 ( 1.255 -0.356 3.369) 3.613 6.836 ( -0.901 3.022 -2.238) 3.867 6.872 ( -1.232 -0.505 -1.271) 1.840 7.001 ( -5.071 5.817 1.683) 7.898 7.141 ( -3.012 -7.027 0.457) 7.659 7.456 ( 0.789 3.355 -2.039) 4.004 7.480 ( -1.027 0.316 0.517) 1.192 7.728 ( -2.641 7.578 0.415) 8.036 7.896 ( -3.940 -7.873 0.478) 8.817 8.238 ( 8.787 6.492 -4.111) 11.673 8.353 ( 8.475 -3.991 -5.360) 10.792 12.171 ( -1.580 4.218 1.923) 4.898 12.232 ( 1.672 4.054 0.783) 4.455 12.286 ( -2.679 -5.544 1.314) 6.296 12.351 ( -0.644 -6.289 1.019) 6.403 12.870 ( 0.405 2.304 -0.766) 2.462 12.908 ( 1.072 -1.138 -0.141) 1.570 13.005 ( 0.091 3.148 -0.484) 3.187 13.077 ( 0.630 -3.688 -1.058) 3.888 17.525 ( -0.398 -0.133 0.051) 0.423 17.530 ( -0.950 -0.623 0.618) 1.293 17.576 ( 0.596 1.492 -1.002) 1.894 17.611 ( 0.273 -2.009 0.140) 2.033 18.438 ( -0.599 1.176 0.459) 1.397 18.458 ( -0.438 -0.461 -0.142) 0.651 18.474 ( 0.502 1.015 -0.062) 1.134 18.496 ( 0.198 -0.634 -0.159) 0.683 20.845 ( 0.155 0.023 0.019) 0.158 20.850 ( 0.236 -0.411 -0.050) 0.476 21.132 ( 0.096 -0.045 0.095) 0.142 21.136 ( 0.070 -0.498 -0.083) 0.510 21.375 ( -3.130 0.220 0.065) 3.138 21.383 ( -3.179 -0.630 -0.036) 3.241 21.538 ( 2.408 -0.052 0.024) 2.408 21.545 ( 2.388 -0.766 0.021) 2.508 22.603 ( -1.734 1.682 0.766) 2.534 22.631 ( -0.976 -0.625 0.258) 1.187 22.710 ( 0.912 -0.019 -0.509) 1.045 22.721 ( 1.254 -0.782 -0.870) 1.715 29.252 ( 0.056 -0.047 -0.051) 0.089 29.255 ( 0.077 -0.216 -0.059) 0.237 29.265 ( -0.099 -0.048 0.029) 0.114 29.271 ( -0.079 -0.554 -0.067) 0.564 32.851 ( 0.988 0.716 1.885) 2.245 32.908 ( 0.060 -5.010 2.510) 5.604 33.039 ( -0.945 0.243 -0.817) 1.273 33.105 ( 0.240 -6.244 -3.485) 7.154 35.962 ( 0.153 1.428 1.352) 1.972 36.004 ( -0.860 -2.718 1.788) 3.365 36.026 ( 0.286 3.267 -1.204) 3.494 36.111 ( -0.189 -5.178 -1.627) 5.431 39.682 ( -5.600 2.282 0.591) 6.076 39.704 ( -5.237 0.127 0.346) 5.250 40.145 ( 4.262 5.027 -1.756) 6.821 40.167 ( 3.757 2.907 -1.897) 5.115 40.565 ( -18.857 5.995 3.733) 20.136 40.622 ( -20.026 0.564 2.554) 20.196 41.671 ( 25.043 13.786 1.020) 28.605 41.858 ( 29.760 -4.500 -5.123) 30.531 ======================= Grid point 92 (50/70) ======================= q-point: (-0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -4.294 7.848 3.718) 9.688 1.550 ( -4.663 -0.232 0.255) 4.675 1.690 ( -1.649 1.221 1.460) 2.518 1.741 ( -0.964 -1.699 1.982) 2.783 1.792 ( -0.197 2.487 -7.826) 8.214 1.840 ( 0.199 -4.123 -3.134) 5.182 1.934 ( -2.172 4.189 2.848) 5.511 2.003 ( -4.917 -0.416 1.499) 5.158 2.083 ( -4.433 1.448 0.021) 4.663 2.142 ( -8.994 7.915 -2.052) 12.155 2.173 ( -9.242 -4.349 0.055) 10.214 2.336 ( -6.498 -9.196 -4.155) 12.002 2.472 ( -3.208 5.224 -10.232) 11.928 2.552 ( -2.195 -1.853 -12.287) 12.619 2.858 ( -1.048 7.240 6.087) 9.517 2.965 ( 3.885 4.961 1.837) 6.564 2.970 ( -2.262 -2.984 3.037) 4.821 3.120 ( -0.353 -6.905 0.008) 6.914 3.425 ( 7.369 0.403 -0.777) 7.421 3.504 ( 6.700 -5.214 -0.583) 8.510 3.587 ( 2.993 2.481 1.093) 4.038 3.618 ( 3.716 0.798 3.070) 4.886 3.696 ( 1.629 1.294 0.352) 2.110 3.705 ( 3.283 1.335 -1.748) 3.952 4.228 ( -0.790 0.497 -0.641) 1.132 4.237 ( 0.627 1.080 -0.220) 1.268 4.275 ( 1.084 1.154 1.518) 2.193 4.287 ( 2.232 -0.439 -1.333) 2.636 4.586 ( 2.203 2.275 -0.159) 3.171 4.612 ( 2.138 -0.170 2.001) 2.933 4.693 ( -3.282 2.272 2.470) 4.694 4.758 ( -1.840 -3.467 1.991) 4.401 4.804 ( -1.058 1.323 -2.052) 2.661 4.842 ( -1.078 -2.355 -1.340) 2.916 4.978 ( 1.079 2.923 -1.080) 3.298 5.029 ( -0.423 -1.556 0.477) 1.681 5.347 ( -1.762 2.901 0.701) 3.466 5.381 ( -1.672 -0.426 1.158) 2.078 5.648 ( 0.133 1.780 -1.197) 2.149 5.672 ( 0.130 -0.415 -1.047) 1.134 5.809 ( -2.214 0.433 3.295) 3.993 5.836 ( -2.269 -1.836 3.626) 4.654 5.942 ( 2.037 2.985 -0.086) 3.615 6.016 ( 3.122 -3.662 0.644) 4.855 6.180 ( -1.009 1.057 1.393) 2.019 6.214 ( -0.807 -2.218 1.832) 2.988 6.284 ( -1.333 5.426 0.757) 5.639 6.344 ( -2.125 -0.372 0.082) 2.159 6.560 ( 1.520 3.629 1.568) 4.236 6.618 ( 1.562 -1.097 1.834) 2.647 6.778 ( -4.115 3.484 -3.255) 6.298 6.813 ( -1.327 0.308 -2.290) 2.665 6.961 ( -1.193 3.748 1.235) 4.122 7.053 ( -4.917 -4.796 -0.430) 6.882 7.422 ( -3.730 2.230 3.228) 5.414 7.471 ( 1.410 -2.051 -2.597) 3.597 7.728 ( 1.573 7.603 3.632) 8.572 7.883 ( 1.482 -6.910 0.272) 7.073 8.391 ( 6.112 5.433 -4.001) 9.104 8.484 ( 4.474 -3.087 -5.111) 7.461 12.159 ( 0.240 3.530 1.102) 3.706 12.237 ( -1.401 -0.804 -0.501) 1.691 12.283 ( 2.724 -1.867 -1.113) 3.485 12.344 ( 0.048 -4.771 -1.152) 4.908 12.876 ( 0.064 1.998 0.891) 2.189 12.907 ( -1.235 -0.847 1.115) 1.867 13.009 ( 0.356 3.034 0.960) 3.202 13.069 ( -1.432 -2.749 0.714) 3.181 17.507 ( -0.922 0.522 0.784) 1.318 17.522 ( -0.082 -0.732 -0.654) 0.985 17.591 ( 0.908 0.554 -0.734) 1.293 17.611 ( -0.207 -1.341 0.066) 1.358 18.427 ( -0.433 1.187 0.500) 1.358 18.449 ( -0.469 -0.480 -0.151) 0.688 18.483 ( 0.355 0.573 0.108) 0.682 18.497 ( -0.142 -0.278 0.065) 0.319 20.851 ( 0.398 0.132 -0.030) 0.420 20.856 ( 0.362 -0.454 0.042) 0.582 21.135 ( 0.246 -0.051 0.048) 0.256 21.139 ( 0.175 -0.414 0.008) 0.449 21.317 ( -2.386 0.151 0.004) 2.391 21.322 ( -2.597 -0.376 -0.036) 2.624 21.579 ( 1.543 -0.229 0.011) 1.560 21.584 ( 1.358 -0.729 0.036) 1.542 22.575 ( -1.047 2.702 0.721) 2.986 22.615 ( -0.509 -0.515 -0.495) 0.878 22.725 ( 0.508 -0.445 -0.208) 0.707 22.741 ( 0.729 -1.445 -0.711) 1.767 29.253 ( -0.011 0.140 0.070) 0.157 29.257 ( 0.160 -0.167 -0.147) 0.274 29.263 ( -0.028 -0.242 -0.013) 0.244 29.268 ( -0.185 -0.611 -0.031) 0.639 32.875 ( 1.244 -0.469 2.595) 2.916 32.907 ( -0.458 -3.487 3.206) 4.759 33.007 ( -1.791 2.307 -0.685) 3.000 33.119 ( 1.205 -9.313 -4.784) 10.539 35.967 ( 0.254 0.470 1.342) 1.445 35.987 ( -0.813 -1.592 1.698) 2.465 36.034 ( 0.573 2.720 -1.166) 3.014 36.102 ( -0.546 -4.115 -1.616) 4.454 39.617 ( -0.457 1.735 0.639) 1.905 39.642 ( -0.380 -0.713 0.156) 0.823 40.016 ( -13.605 2.797 -0.897) 13.918 40.038 ( -13.036 0.700 -1.893) 13.192 40.443 ( 2.669 7.314 2.671) 8.231 40.491 ( 2.972 2.753 1.584) 4.349 42.093 ( 15.811 17.154 3.054) 23.528 42.357 ( 19.122 -8.977 -6.392) 22.070 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 3.747 0.000 -15.077) 15.536 0.795 ( -3.747 0.000 15.077) 15.536 0.913 ( -10.442 0.000 -17.123) 20.055 0.913 ( 10.442 0.000 17.123) 20.055 1.584 ( 15.748 0.000 -22.636) 27.575 1.584 ( -15.748 0.000 22.636) 27.575 1.747 ( 5.464 0.000 -9.339) 10.820 1.747 ( -5.464 0.000 9.339) 10.820 2.060 ( 1.916 0.000 -12.179) 12.329 2.060 ( -1.916 0.000 12.179) 12.329 2.242 ( 6.613 0.000 -4.096) 7.778 2.242 ( -6.613 0.000 4.096) 7.778 2.432 ( -0.449 0.000 0.024) 0.449 2.432 ( 0.449 0.000 -0.024) 0.449 2.642 ( -7.088 0.000 -2.090) 7.390 2.642 ( 7.088 0.000 2.090) 7.390 2.671 ( -4.263 0.000 1.149) 4.415 2.671 ( 4.263 0.000 -1.149) 4.415 3.119 ( -3.424 0.000 -11.237) 11.747 3.119 ( 3.424 0.000 11.237) 11.747 3.711 ( 1.285 0.000 -4.643) 4.817 3.711 ( -1.285 0.000 4.643) 4.817 3.982 ( -0.304 0.000 -4.025) 4.036 3.982 ( 0.304 0.000 4.025) 4.036 4.268 ( 1.930 0.000 -1.976) 2.762 4.268 ( -1.930 0.000 1.976) 2.762 4.444 ( -9.959 0.000 -6.457) 11.869 4.444 ( 9.959 0.000 6.457) 11.869 4.618 ( 5.080 0.000 -3.642) 6.250 4.618 ( -5.080 0.000 3.642) 6.250 4.715 ( 4.392 0.000 -1.889) 4.781 4.715 ( -4.392 0.000 1.889) 4.781 4.782 ( 6.556 0.000 -5.179) 8.355 4.782 ( -6.556 0.000 5.179) 8.355 5.092 ( -1.118 0.000 -2.171) 2.442 5.092 ( 1.118 0.000 2.171) 2.442 5.336 ( -2.212 0.000 0.444) 2.256 5.336 ( 2.212 0.000 -0.444) 2.256 5.584 ( -1.507 0.000 -0.543) 1.602 5.584 ( 1.507 0.000 0.543) 1.602 5.767 ( -2.766 0.000 -2.038) 3.436 5.767 ( 2.766 0.000 2.038) 3.436 5.956 ( -3.116 0.000 -2.066) 3.739 5.956 ( 3.116 0.000 2.066) 3.739 6.087 ( 2.958 0.000 -1.373) 3.261 6.087 ( -2.958 0.000 1.373) 3.261 6.121 ( -5.217 0.000 -1.961) 5.573 6.121 ( 5.217 0.000 1.961) 5.573 6.379 ( -4.272 0.000 -2.832) 5.126 6.379 ( 4.272 0.000 2.832) 5.126 6.741 ( -4.484 0.000 -1.936) 4.884 6.741 ( 4.484 0.000 1.936) 4.884 6.978 ( -6.538 0.000 -2.777) 7.103 6.978 ( 6.538 0.000 2.777) 7.103 7.035 ( 22.386 0.000 -12.337) 25.561 7.035 ( -22.386 0.000 12.337) 25.561 7.755 ( 13.846 0.000 -11.621) 18.076 7.755 ( -13.846 0.000 11.621) 18.076 8.319 ( -2.434 0.000 -3.170) 3.997 8.319 ( 2.434 0.000 3.170) 3.997 12.420 ( 3.946 0.000 -8.663) 9.519 12.420 ( -3.946 0.000 8.663) 9.519 12.504 ( -0.419 0.000 -7.712) 7.723 12.504 ( 0.419 0.000 7.712) 7.723 12.845 ( 2.162 0.000 -2.615) 3.393 12.845 ( -2.162 0.000 2.615) 3.393 12.971 ( 0.911 0.000 -6.067) 6.135 12.971 ( -0.911 0.000 6.067) 6.135 17.513 ( 1.689 0.000 -0.587) 1.788 17.513 ( -1.689 0.000 0.587) 1.788 17.777 ( -6.163 0.000 -4.472) 7.615 17.777 ( 6.163 0.000 4.472) 7.615 18.344 ( -0.902 0.000 -1.247) 1.539 18.344 ( 0.902 0.000 1.247) 1.539 18.505 ( 0.021 0.000 -3.174) 3.174 18.505 ( -0.021 0.000 3.174) 3.174 20.922 ( -3.934 0.000 1.149) 4.098 20.922 ( 3.934 0.000 -1.149) 4.098 21.194 ( 2.233 0.000 -1.074) 2.478 21.194 ( -2.233 0.000 1.074) 2.478 21.304 ( -2.139 0.000 -0.535) 2.205 21.304 ( 2.139 0.000 0.535) 2.205 21.684 ( -1.391 0.000 -0.234) 1.410 21.684 ( 1.391 0.000 0.234) 1.410 22.675 ( 1.725 0.000 -3.358) 3.775 22.675 ( -1.725 0.000 3.358) 3.775 22.733 ( -1.214 0.000 -0.904) 1.513 22.733 ( 1.214 0.000 0.904) 1.513 29.302 ( 0.780 0.000 -0.669) 1.028 29.302 ( -0.780 0.000 0.669) 1.028 29.324 ( -0.658 0.000 -0.706) 0.965 29.324 ( 0.658 0.000 0.706) 0.965 32.983 ( 5.161 0.000 -4.243) 6.682 32.983 ( -5.161 0.000 4.243) 6.682 34.694 ( -23.214 0.000 -1.962) 23.297 34.694 ( 23.214 0.000 1.962) 23.297 35.964 ( -3.828 0.000 0.907) 3.934 35.964 ( 3.828 0.000 -0.907) 3.934 36.615 ( -17.046 0.000 2.914) 17.293 36.615 ( 17.046 0.000 -2.914) 17.293 39.332 ( 0.287 0.000 -6.818) 6.824 39.332 ( -0.287 0.000 6.818) 6.824 39.571 ( -0.884 0.000 -1.735) 1.947 39.571 ( 0.884 0.000 1.735) 1.947 39.802 ( 1.404 0.000 -3.460) 3.734 39.802 ( -1.404 0.000 3.460) 3.734 40.285 ( -6.213 0.000 -3.821) 7.293 40.285 ( 6.213 0.000 3.821) 7.293 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 5.327 0.000 -2.992) 6.110 0.875 ( 10.315 0.000 2.772) 10.680 0.955 ( 10.064 0.000 -4.927) 11.205 1.062 ( 2.155 0.000 16.708) 16.846 1.583 ( -10.374 0.000 6.955) 12.490 1.592 ( 13.461 0.000 12.954) 18.681 1.800 ( 3.236 0.000 -0.082) 3.237 1.982 ( 13.535 0.000 -9.872) 16.752 2.068 ( 1.642 0.000 6.699) 6.898 2.099 ( 2.297 0.000 -5.048) 5.546 2.171 ( 7.077 0.000 -10.133) 12.360 2.319 ( -11.664 0.000 -0.496) 11.674 2.374 ( 5.156 0.000 -4.767) 7.022 2.449 ( 3.683 0.000 1.992) 4.187 2.530 ( -1.120 0.000 -2.913) 3.121 2.673 ( -0.837 0.000 0.831) 1.179 2.694 ( 6.277 0.000 -0.187) 6.279 2.835 ( 8.298 0.000 -1.534) 8.438 3.055 ( -1.531 0.000 -9.450) 9.574 3.167 ( 0.176 0.000 9.318) 9.320 3.656 ( -4.719 0.000 4.320) 6.398 3.695 ( -2.805 0.000 -3.353) 4.372 3.935 ( -9.186 0.000 1.771) 9.355 3.970 ( -0.906 0.000 -3.737) 3.845 4.180 ( -4.586 0.000 1.316) 4.771 4.258 ( -2.693 0.000 -2.448) 3.639 4.283 ( -4.020 0.000 -3.451) 5.299 4.511 ( -5.031 0.000 0.511) 5.057 4.529 ( -10.196 0.000 8.077) 13.008 4.580 ( -4.850 0.000 3.108) 5.761 4.661 ( 3.789 0.000 -1.116) 3.950 4.755 ( 3.752 0.000 -5.762) 6.876 4.758 ( 0.405 0.000 0.337) 0.527 4.880 ( 3.216 0.000 -3.013) 4.407 5.058 ( -2.050 0.000 1.102) 2.328 5.099 ( -0.996 0.000 4.540) 4.648 5.292 ( -1.534 0.000 -0.491) 1.611 5.360 ( -0.071 0.000 1.895) 1.896 5.559 ( -1.228 0.000 -1.524) 1.957 5.600 ( -1.332 0.000 -0.754) 1.531 5.688 ( -3.583 0.000 -0.344) 3.600 5.781 ( -3.375 0.000 1.510) 3.697 5.811 ( -7.194 0.000 1.690) 7.390 5.966 ( -2.420 0.000 2.350) 3.373 6.029 ( -1.171 0.000 2.547) 2.803 6.084 ( 1.294 0.000 -2.592) 2.897 6.151 ( -2.805 0.000 2.875) 4.016 6.193 ( 6.648 0.000 -6.049) 8.988 6.321 ( -9.537 0.000 3.593) 10.191 6.375 ( 3.497 0.000 -5.105) 6.188 6.595 ( -7.374 0.000 -0.499) 7.391 6.796 ( 2.174 0.000 13.181) 13.359 6.807 ( 0.173 0.000 8.081) 8.083 6.864 ( -4.905 0.000 -6.905) 8.470 7.184 ( 14.600 0.000 -1.564) 14.683 7.243 ( 5.459 0.000 -14.609) 15.596 7.703 ( 1.379 0.000 9.456) 9.556 8.162 ( 8.400 0.000 -16.562) 18.570 8.355 ( 14.331 0.000 -7.363) 16.112 8.398 ( 5.468 0.000 3.173) 6.322 12.374 ( -0.813 0.000 8.391) 8.431 12.481 ( 0.758 0.000 -8.056) 8.091 12.499 ( 1.983 0.000 -6.681) 6.970 12.520 ( 0.695 0.000 7.241) 7.274 12.812 ( -0.928 0.000 2.155) 2.346 12.873 ( 0.637 0.000 -2.120) 2.213 12.959 ( -0.633 0.000 5.539) 5.575 12.982 ( 0.446 0.000 -7.184) 7.197 17.490 ( -0.605 0.000 0.547) 0.816 17.556 ( 2.663 0.000 -0.630) 2.737 17.628 ( -7.008 0.000 1.118) 7.097 17.829 ( -1.201 0.000 6.013) 6.132 18.337 ( 0.360 0.000 -1.434) 1.479 18.370 ( 1.575 0.000 1.271) 2.023 18.492 ( -1.523 0.000 3.753) 4.050 18.495 ( -0.692 0.000 -2.307) 2.408 20.865 ( -0.895 0.000 -0.163) 0.910 20.961 ( 0.044 0.000 -3.067) 3.067 21.168 ( -0.126 0.000 0.891) 0.900 21.205 ( -0.413 0.000 -1.997) 2.040 21.329 ( 3.141 0.000 -0.665) 3.210 21.457 ( 10.146 0.000 -3.457) 10.719 21.650 ( -1.824 0.000 -0.184) 1.833 21.704 ( 0.674 0.000 0.351) 0.760 22.650 ( -0.958 0.000 2.923) 3.076 22.702 ( -0.473 0.000 -2.038) 2.092 22.713 ( 0.906 0.000 -2.218) 2.396 22.753 ( 0.755 0.000 1.190) 1.409 29.286 ( -0.803 0.000 0.639) 1.026 29.301 ( -1.093 0.000 -0.048) 1.094 29.320 ( 0.558 0.000 -0.619) 0.834 29.334 ( 0.261 0.000 1.011) 1.044 32.920 ( -1.647 0.000 2.855) 3.296 33.112 ( 7.098 0.000 -3.211) 7.790 33.946 ( -39.723 0.000 23.473) 46.140 34.768 ( -11.107 0.000 8.673) 14.092 35.900 ( -1.092 0.000 0.687) 1.290 35.989 ( -0.711 0.000 -1.019) 1.243 36.465 ( -0.096 0.000 9.794) 9.795 36.910 ( 6.027 0.000 4.479) 7.509 39.342 ( 0.783 0.000 6.478) 6.525 39.344 ( 1.362 0.000 -6.700) 6.837 39.534 ( -2.319 0.000 -2.445) 3.370 39.561 ( -2.070 0.000 3.453) 4.026 39.798 ( 0.930 0.000 2.802) 2.952 39.836 ( 1.890 0.000 -2.088) 2.816 40.134 ( -6.759 0.000 1.851) 7.008 40.290 ( -5.904 0.000 2.330) 6.347 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 1.904 0.000 25.579) 25.650 1.068 ( 16.385 0.000 -2.502) 16.575 1.143 ( 12.446 0.000 3.745) 12.997 1.279 ( 15.515 0.000 -8.580) 17.729 1.397 ( -5.453 0.000 -1.949) 5.791 1.624 ( -7.430 0.000 -1.755) 7.634 1.861 ( -12.212 0.000 2.548) 12.475 1.960 ( -15.814 0.000 -3.008) 16.098 2.145 ( 10.934 0.000 8.762) 14.012 2.166 ( 2.303 0.000 -3.157) 3.907 2.171 ( 12.045 0.000 -1.628) 12.154 2.462 ( 5.125 0.000 3.641) 6.287 2.485 ( 1.514 0.000 0.172) 1.524 2.557 ( 8.457 0.000 -1.169) 8.537 2.610 ( 9.440 0.000 -2.997) 9.904 2.747 ( 13.396 0.000 2.359) 13.602 2.831 ( 5.111 0.000 -7.245) 8.866 2.995 ( 10.825 0.000 -8.916) 14.025 3.085 ( 6.520 0.000 -4.443) 7.890 3.158 ( -1.107 0.000 2.519) 2.752 3.519 ( -9.631 0.000 3.822) 10.362 3.591 ( -7.527 0.000 0.114) 7.528 3.608 ( -19.043 0.000 -4.351) 19.534 3.865 ( -13.164 0.000 -0.125) 13.165 4.166 ( 0.849 0.000 5.123) 5.193 4.190 ( -2.363 0.000 1.860) 3.007 4.233 ( -1.741 0.000 0.359) 1.778 4.301 ( -8.689 0.000 2.012) 8.919 4.440 ( -1.865 0.000 -1.309) 2.278 4.485 ( -4.009 0.000 -0.845) 4.098 4.756 ( -0.036 0.000 3.910) 3.910 4.757 ( 4.430 0.000 -2.780) 5.230 4.806 ( 1.245 0.000 -7.565) 7.667 4.907 ( -0.540 0.000 1.981) 2.054 5.023 ( -1.417 0.000 4.285) 4.513 5.047 ( -3.534 0.000 -0.174) 3.539 5.304 ( 2.656 0.000 -0.336) 2.677 5.352 ( -0.131 0.000 4.235) 4.237 5.495 ( -5.235 0.000 -1.087) 5.347 5.505 ( -6.024 0.000 -1.801) 6.287 5.670 ( 0.400 0.000 0.109) 0.414 5.674 ( -1.615 0.000 -0.067) 1.616 5.792 ( -0.154 0.000 1.774) 1.781 5.864 ( -5.800 0.000 1.248) 5.933 6.019 ( -0.025 0.000 -0.163) 0.165 6.064 ( -2.450 0.000 -2.100) 3.227 6.129 ( 2.888 0.000 -4.164) 5.067 6.224 ( -1.883 0.000 11.051) 11.210 6.361 ( 6.798 0.000 -7.956) 10.465 6.452 ( 3.346 0.000 -6.136) 6.989 6.554 ( 2.228 0.000 1.921) 2.941 6.758 ( -5.217 0.000 7.288) 8.962 6.778 ( -2.382 0.000 -3.242) 4.023 6.816 ( -1.397 0.000 8.216) 8.334 7.369 ( 8.110 0.000 -16.841) 18.692 7.472 ( 10.348 0.000 4.785) 11.401 7.742 ( 3.503 0.000 9.118) 9.768 8.104 ( -7.225 0.000 -3.316) 7.950 8.527 ( 6.648 0.000 2.611) 7.142 8.615 ( 6.798 0.000 -11.288) 13.177 12.393 ( 1.653 0.000 6.738) 6.938 12.464 ( -1.072 0.000 -7.464) 7.541 12.540 ( 1.705 0.000 -6.193) 6.423 12.541 ( 0.790 0.000 6.631) 6.678 12.814 ( 0.860 0.000 1.069) 1.372 12.867 ( -1.002 0.000 -1.460) 1.771 12.955 ( -0.143 0.000 6.114) 6.116 12.976 ( -0.371 0.000 -7.539) 7.548 17.488 ( 0.227 0.000 0.331) 0.402 17.532 ( -2.828 0.000 1.642) 3.270 17.618 ( 3.449 0.000 -1.046) 3.604 17.771 ( -4.096 0.000 3.606) 5.457 18.356 ( 1.651 0.000 -1.825) 2.462 18.402 ( 1.324 0.000 1.493) 1.995 18.456 ( -2.059 0.000 3.201) 3.806 18.475 ( -1.127 0.000 -2.037) 2.328 20.876 ( 1.330 0.000 1.781) 2.223 20.941 ( -1.483 0.000 -2.996) 3.343 21.176 ( 0.541 0.000 1.794) 1.874 21.195 ( -0.366 0.000 -2.067) 2.099 21.406 ( 4.424 0.000 -0.797) 4.495 21.558 ( -1.311 0.000 -1.070) 1.692 21.655 ( 3.329 0.000 -2.652) 4.256 21.712 ( 0.027 0.000 0.649) 0.649 22.643 ( 0.090 0.000 2.224) 2.226 22.677 ( -1.253 0.000 -1.238) 1.762 22.740 ( 1.336 0.000 -2.901) 3.194 22.763 ( 0.063 0.000 1.752) 1.753 29.274 ( -0.474 0.000 0.541) 0.719 29.280 ( -0.855 0.000 0.170) 0.871 29.330 ( 0.430 0.000 -0.733) 0.850 29.337 ( 0.016 0.000 0.981) 0.981 32.915 ( 1.021 0.000 -0.492) 1.133 33.107 ( -9.287 0.000 11.723) 14.955 33.623 ( 7.770 0.000 6.351) 10.036 34.416 ( -22.527 0.000 5.616) 23.217 35.908 ( 1.198 0.000 0.077) 1.200 35.963 ( -1.445 0.000 -0.743) 1.625 36.535 ( 5.440 0.000 10.033) 11.413 36.859 ( -8.058 0.000 -4.163) 9.070 39.369 ( 1.344 0.000 5.679) 5.836 39.373 ( 1.861 0.000 -6.070) 6.349 39.486 ( -2.012 0.000 -4.295) 4.743 39.509 ( -3.019 0.000 5.522) 6.294 39.835 ( 2.276 0.000 0.689) 2.378 39.867 ( 1.151 0.000 -0.286) 1.186 40.046 ( -2.455 0.000 4.178) 4.846 40.140 ( -7.082 0.000 -3.763) 8.019 ======================= Grid point 121 (54/70) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -6.171 0.000 -15.584) 16.761 1.131 ( 6.171 0.000 15.584) 16.761 1.394 ( -14.465 0.000 1.734) 14.568 1.394 ( 14.465 0.000 -1.734) 14.568 1.567 ( -0.684 0.000 -4.173) 4.228 1.567 ( 0.684 0.000 4.173) 4.228 1.616 ( -2.881 0.000 -6.871) 7.451 1.616 ( 2.881 0.000 6.871) 7.451 2.186 ( -0.444 0.000 -1.100) 1.186 2.186 ( 0.444 0.000 1.100) 1.186 2.407 ( 5.816 0.000 -3.833) 6.965 2.407 ( -5.816 0.000 3.833) 6.965 2.617 ( -3.786 0.000 -1.540) 4.087 2.617 ( 3.786 0.000 1.540) 4.087 2.827 ( 5.403 0.000 -9.233) 10.698 2.827 ( -5.403 0.000 9.233) 10.698 2.971 ( -16.356 0.000 -3.428) 16.712 2.971 ( 16.356 0.000 3.428) 16.712 3.285 ( -11.433 0.000 1.908) 11.591 3.285 ( 11.433 0.000 -1.908) 11.591 3.401 ( 17.807 0.000 -14.776) 23.139 3.401 ( -17.807 0.000 14.776) 23.139 3.482 ( -13.337 0.000 -1.900) 13.472 3.482 ( 13.337 0.000 1.900) 13.472 4.184 ( 0.047 0.000 -2.673) 2.673 4.184 ( -0.047 0.000 2.673) 2.673 4.213 ( -0.708 0.000 -6.755) 6.792 4.213 ( 0.708 0.000 6.755) 6.792 4.434 ( -1.151 0.000 -0.312) 1.193 4.434 ( 1.151 0.000 0.312) 1.193 4.776 ( -1.306 0.000 -7.126) 7.245 4.776 ( 1.306 0.000 7.126) 7.245 4.856 ( 4.115 0.000 -3.715) 5.544 4.856 ( -4.115 0.000 3.715) 5.544 5.010 ( 0.055 0.000 -4.579) 4.579 5.010 ( -0.055 0.000 4.579) 4.579 5.363 ( 1.511 0.000 -3.610) 3.913 5.363 ( -1.511 0.000 3.610) 3.913 5.418 ( 0.624 0.000 -1.356) 1.493 5.418 ( -0.624 0.000 1.356) 1.493 5.673 ( -0.301 0.000 -0.785) 0.841 5.673 ( 0.301 0.000 0.785) 0.841 5.796 ( 1.175 0.000 -1.138) 1.636 5.796 ( -1.175 0.000 1.138) 1.636 6.031 ( -1.166 0.000 -0.471) 1.258 6.031 ( 1.166 0.000 0.471) 1.258 6.181 ( 2.757 0.000 -7.572) 8.058 6.181 ( -2.757 0.000 7.572) 8.058 6.458 ( -2.749 0.000 -0.446) 2.785 6.458 ( 2.749 0.000 0.446) 2.785 6.646 ( -5.861 0.000 1.683) 6.098 6.646 ( 5.861 0.000 -1.683) 6.098 6.776 ( 2.021 0.000 -2.873) 3.513 6.776 ( -2.021 0.000 2.873) 3.513 7.502 ( 5.373 0.000 -15.177) 16.100 7.502 ( -5.373 0.000 15.177) 16.100 7.916 ( -11.004 0.000 -2.029) 11.189 7.916 ( 11.004 0.000 2.029) 11.189 8.633 ( -3.002 0.000 -5.038) 5.865 8.633 ( 3.002 0.000 5.038) 5.865 12.432 ( -1.608 0.000 -6.817) 7.005 12.432 ( 1.608 0.000 6.817) 7.005 12.554 ( 0.113 0.000 -6.301) 6.302 12.554 ( -0.113 0.000 6.301) 6.302 12.839 ( -1.500 0.000 -0.840) 1.719 12.839 ( 1.500 0.000 0.840) 1.719 12.962 ( -0.361 0.000 -7.045) 7.054 12.962 ( 0.361 0.000 7.045) 7.054 17.499 ( 0.935 0.000 -0.338) 0.994 17.499 ( -0.935 0.000 0.338) 0.994 17.691 ( 4.026 0.000 -1.884) 4.445 17.691 ( -4.026 0.000 1.884) 4.445 18.395 ( 2.096 0.000 -2.245) 3.071 18.395 ( -2.096 0.000 2.245) 3.071 18.449 ( -1.169 0.000 -2.006) 2.322 18.449 ( 1.169 0.000 2.006) 2.322 20.907 ( -1.601 0.000 -2.689) 3.129 20.907 ( 1.601 0.000 2.689) 3.129 21.187 ( -0.389 0.000 -2.088) 2.124 21.187 ( 0.389 0.000 2.088) 2.124 21.493 ( -4.178 0.000 0.365) 4.194 21.493 ( 4.178 0.000 -0.365) 4.194 21.702 ( 1.284 0.000 -1.606) 2.056 21.702 ( -1.284 0.000 1.606) 2.056 22.655 ( -0.862 0.000 -1.619) 1.834 22.655 ( 0.862 0.000 1.619) 1.834 22.758 ( 0.664 0.000 -2.390) 2.481 22.758 ( -0.664 0.000 2.390) 2.481 29.270 ( -0.122 0.000 -0.243) 0.272 29.270 ( 0.122 0.000 0.243) 0.272 29.336 ( 0.203 0.000 -0.858) 0.881 29.336 ( -0.203 0.000 0.858) 0.881 32.965 ( 4.645 0.000 -6.996) 8.398 32.965 ( -4.645 0.000 6.996) 8.398 33.960 ( -22.095 0.000 2.066) 22.192 33.960 ( 22.095 0.000 -2.066) 22.192 35.935 ( -1.391 0.000 -0.284) 1.419 35.935 ( 1.391 0.000 0.284) 1.419 36.680 ( -8.361 0.000 -8.949) 12.247 36.680 ( 8.361 0.000 8.949) 12.247 39.393 ( -0.133 0.000 -4.884) 4.886 39.393 ( 0.133 0.000 4.884) 4.886 39.467 ( 1.019 0.000 -6.291) 6.373 39.467 ( -1.019 0.000 6.291) 6.373 39.871 ( 0.940 0.000 -0.873) 1.283 39.871 ( -0.940 0.000 0.873) 1.283 40.043 ( -2.106 0.000 -5.520) 5.908 40.043 ( 2.106 0.000 5.520) 5.908 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -7.901 8.333 -16.977) 20.496 0.955 ( 7.901 8.333 16.977) 20.496 1.156 ( 3.246 21.308 -14.612) 26.040 1.156 ( -3.246 21.308 14.612) 26.040 1.640 ( 8.210 4.048 -9.978) 13.540 1.640 ( -8.210 4.048 9.978) 13.540 1.825 ( 4.188 8.102 -10.877) 14.195 1.825 ( -4.188 8.102 10.877) 14.195 2.086 ( 3.487 1.402 -4.248) 5.672 2.086 ( -3.487 1.402 4.248) 5.672 2.229 ( -1.151 0.327 -4.009) 4.184 2.229 ( 1.151 0.327 4.009) 4.184 2.432 ( -1.939 -0.667 -1.002) 2.282 2.432 ( 1.939 -0.667 1.002) 2.282 2.652 ( -6.189 0.467 -0.202) 6.210 2.652 ( 6.189 0.467 0.202) 6.210 2.709 ( -1.166 5.292 -2.961) 6.175 2.709 ( 1.166 5.292 2.961) 6.175 3.111 ( -1.577 0.265 -7.291) 7.464 3.111 ( 1.577 0.265 7.291) 7.464 3.700 ( 1.393 -0.902 -4.656) 4.943 3.700 ( -1.393 -0.902 4.656) 4.943 3.967 ( 1.239 -1.928 -3.726) 4.374 3.967 ( -1.239 -1.928 3.726) 4.374 4.197 ( -0.573 -5.089 -1.192) 5.258 4.197 ( 0.573 -5.089 1.192) 5.258 4.412 ( -5.909 -3.069 -5.059) 8.362 4.412 ( 5.909 -3.069 5.059) 8.362 4.641 ( -3.690 1.381 0.254) 3.948 4.641 ( 3.690 1.381 -0.254) 3.948 4.714 ( 4.260 1.496 -2.606) 5.213 4.714 ( -4.260 1.496 2.606) 5.213 4.808 ( 6.041 0.236 -4.977) 7.831 4.808 ( -6.041 0.236 4.977) 7.831 5.062 ( -1.982 -2.173 -2.873) 4.111 5.062 ( 1.982 -2.173 2.873) 4.111 5.291 ( 0.963 -2.863 -1.429) 3.341 5.291 ( -0.963 -2.863 1.429) 3.341 5.595 ( -1.337 2.086 -0.296) 2.496 5.595 ( 1.337 2.086 0.296) 2.496 5.778 ( -3.288 -1.242 -1.382) 3.776 5.778 ( 3.288 -1.242 1.382) 3.776 5.938 ( 0.250 3.199 -2.490) 4.062 5.938 ( -0.250 3.199 2.490) 4.062 6.077 ( 0.752 -1.134 -1.743) 2.211 6.077 ( -0.752 -1.134 1.743) 2.211 6.269 ( 0.482 8.423 -2.557) 8.815 6.269 ( -0.482 8.423 2.557) 8.815 6.365 ( -1.979 0.319 -2.343) 3.084 6.365 ( 1.979 0.319 2.343) 3.084 6.723 ( -1.648 -1.973 -3.901) 4.672 6.723 ( 1.648 -1.973 3.901) 4.672 6.961 ( -8.666 0.647 -0.239) 8.693 6.961 ( 8.666 0.647 0.239) 8.693 7.142 ( 3.619 6.867 -10.837) 13.330 7.142 ( -3.619 6.867 10.837) 13.330 7.783 ( 7.702 2.030 -6.331) 10.174 7.783 ( -7.702 2.030 6.331) 10.174 8.350 ( 1.150 2.696 -3.539) 4.595 8.350 ( -1.150 2.696 3.539) 4.595 12.380 ( 1.903 -4.166 -3.866) 5.993 12.380 ( -1.903 -4.166 3.866) 5.993 12.497 ( -0.299 -0.504 -3.169) 3.223 12.497 ( 0.299 -0.504 3.169) 3.223 12.847 ( 2.468 -0.445 -3.581) 4.372 12.847 ( -2.468 -0.445 3.581) 4.372 12.968 ( -1.557 0.796 -3.399) 3.823 12.968 ( 1.557 0.796 3.399) 3.823 17.514 ( 0.514 0.040 -0.419) 0.664 17.514 ( -0.514 0.040 0.419) 0.664 17.734 ( -4.768 -3.464 -2.414) 6.369 17.734 ( 4.768 -3.464 2.414) 6.369 18.357 ( -0.867 1.280 -1.117) 1.907 18.357 ( 0.867 1.280 1.117) 1.907 18.503 ( 0.144 -0.256 -2.738) 2.754 18.503 ( -0.144 -0.256 2.738) 2.754 20.908 ( -2.777 -1.198 0.329) 3.042 20.908 ( 2.777 -1.198 -0.329) 3.042 21.184 ( 0.210 -0.867 -0.426) 0.989 21.184 ( -0.210 -0.867 0.426) 0.989 21.300 ( -1.354 -0.253 -0.523) 1.474 21.300 ( 1.354 -0.253 0.523) 1.474 21.673 ( -1.234 -1.054 -0.202) 1.635 21.673 ( 1.234 -1.054 0.202) 1.635 22.591 ( 1.145 -4.588 -1.986) 5.129 22.591 ( -1.145 -4.588 1.986) 5.129 22.776 ( -0.617 1.641 -0.237) 1.769 22.776 ( 0.617 1.641 0.237) 1.769 29.293 ( 0.548 -0.820 -0.471) 1.093 29.293 ( -0.548 -0.820 0.471) 1.093 29.315 ( -0.437 -0.789 -0.512) 1.037 29.315 ( 0.437 -0.789 0.512) 1.037 32.977 ( 4.586 -0.608 -3.723) 5.938 32.977 ( -4.586 -0.608 3.723) 5.938 34.297 ( 14.411 -31.715 -18.700) 39.537 34.297 ( -14.411 -31.715 18.700) 39.537 35.967 ( -1.751 0.266 0.128) 1.776 35.967 ( 1.751 0.266 -0.128) 1.776 36.403 ( 3.371 -12.689 -8.715) 15.758 36.403 ( -3.371 -12.689 8.715) 15.758 39.465 ( 0.151 9.692 -3.303) 10.241 39.465 ( -0.151 9.692 3.303) 10.241 39.597 ( 0.217 3.750 -1.982) 4.247 39.597 ( -0.217 3.750 1.982) 4.247 39.828 ( 0.545 3.365 -2.809) 4.417 39.828 ( -0.545 3.365 2.809) 4.417 40.963 ( -4.802 48.667 -32.975) 58.982 40.963 ( 4.802 48.667 32.975) 58.982 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 6.579 7.786 -12.935) 16.468 1.099 ( 3.872 14.821 8.744) 17.638 1.137 ( 0.569 13.913 15.370) 20.740 1.289 ( 8.440 18.255 -1.563) 20.172 1.517 ( -5.609 -0.060 3.638) 6.686 1.800 ( 13.550 12.649 8.594) 20.432 1.850 ( -0.275 7.838 -2.358) 8.190 1.973 ( -3.472 -7.270 2.901) 8.562 2.059 ( 15.856 2.543 -9.724) 18.773 2.097 ( -2.516 2.696 4.744) 6.009 2.222 ( 0.686 1.083 -5.403) 5.553 2.307 ( -5.625 -0.515 -4.694) 7.344 2.390 ( 8.912 1.928 -3.397) 9.730 2.462 ( 2.795 1.204 1.056) 3.221 2.560 ( 1.455 2.444 -2.972) 4.114 2.694 ( -0.634 3.060 -0.230) 3.133 2.751 ( 4.382 6.212 0.871) 7.651 2.861 ( 9.572 2.836 -2.087) 10.199 3.070 ( -1.171 1.725 -5.007) 5.424 3.124 ( -0.965 -2.741 5.788) 6.476 3.646 ( -4.493 -0.766 4.765) 6.593 3.686 ( -2.876 -0.875 -3.292) 4.458 3.899 ( -7.840 -2.782 1.973) 8.550 3.962 ( -2.277 -1.970 -4.231) 5.193 4.131 ( -3.817 -3.375 -2.375) 5.621 4.206 ( 0.721 -2.764 0.375) 2.881 4.314 ( -3.432 1.325 -1.340) 3.916 4.468 ( -5.516 -5.271 3.256) 8.295 4.531 ( -2.262 0.107 1.806) 2.897 4.575 ( -7.599 1.032 5.274) 9.307 4.679 ( -0.419 1.730 -0.262) 1.799 4.766 ( 1.708 1.147 -1.372) 2.473 4.788 ( 2.892 1.946 -3.189) 4.725 4.912 ( 3.597 1.693 -3.800) 5.500 5.033 ( -0.346 -3.755 0.989) 3.899 5.071 ( -1.784 -0.692 3.983) 4.418 5.269 ( 0.620 -0.715 0.734) 1.198 5.332 ( 2.021 -1.981 0.663) 2.906 5.575 ( -1.453 2.155 -0.907) 2.753 5.624 ( 1.228 0.955 -1.269) 2.007 5.709 ( -2.695 3.072 -2.671) 4.882 5.795 ( -3.423 -0.906 0.506) 3.577 5.857 ( -4.527 4.717 0.482) 6.556 5.956 ( 0.842 0.354 3.605) 3.719 6.044 ( 1.597 2.030 -0.951) 2.753 6.136 ( 1.127 2.599 0.827) 2.951 6.199 ( -5.990 4.388 -1.367) 7.550 6.247 ( 0.710 1.559 -1.024) 1.995 6.353 ( -3.998 6.622 2.387) 8.095 6.464 ( 5.633 5.823 -4.253) 9.150 6.591 ( -8.921 -0.270 -1.136) 8.997 6.736 ( -1.898 -1.885 6.372) 6.911 6.818 ( -3.346 1.397 1.986) 4.134 6.932 ( 1.967 2.791 3.449) 4.853 7.190 ( 10.318 0.608 -1.062) 10.390 7.289 ( 3.139 5.288 -4.495) 7.617 7.718 ( 0.656 0.225 2.011) 2.128 8.144 ( 14.522 -3.075 -15.027) 21.122 8.263 ( -0.487 -3.903 2.635) 4.735 8.444 ( 5.087 1.955 -0.982) 5.538 12.320 ( -2.367 -4.020 3.700) 5.954 12.377 ( -1.699 -6.992 0.125) 7.196 12.528 ( 2.896 0.621 -3.782) 4.804 12.549 ( 3.268 0.881 -0.417) 3.410 12.781 ( -2.106 -1.913 1.465) 3.200 12.909 ( -1.106 1.835 0.045) 2.143 12.942 ( 2.252 -1.020 -5.492) 6.023 12.999 ( 1.026 2.060 3.748) 4.399 17.490 ( -0.717 -0.068 0.742) 1.034 17.557 ( 2.609 -0.064 -0.706) 2.704 17.611 ( -5.707 -1.290 1.574) 6.059 17.792 ( -0.083 -3.179 3.632) 4.827 18.349 ( 0.233 1.180 -1.261) 1.743 18.382 ( 1.508 1.174 1.118) 2.214 18.483 ( -1.406 -0.454 1.544) 2.137 18.504 ( -0.554 0.234 -0.312) 0.678 20.862 ( -0.876 -0.258 -0.142) 0.924 20.942 ( 0.224 -1.731 -2.204) 2.812 21.163 ( -0.189 -0.493 0.702) 0.878 21.197 ( -0.206 -0.788 -1.597) 1.792 21.327 ( 3.027 -0.249 -0.537) 3.084 21.409 ( 7.976 -3.573 -0.786) 8.775 21.639 ( -2.089 -0.979 -0.074) 2.308 21.687 ( 0.236 -1.590 0.281) 1.632 22.583 ( 0.456 -3.416 1.127) 3.626 22.631 ( 2.605 -4.615 -1.910) 5.633 22.748 ( -1.861 1.726 -0.046) 2.539 22.785 ( -0.087 0.957 0.069) 0.963 29.281 ( -0.644 -0.506 0.443) 0.931 29.293 ( -0.742 -0.743 -0.105) 1.056 29.312 ( 0.360 -0.752 -0.325) 0.895 29.323 ( 0.256 -0.942 0.647) 1.171 32.917 ( -1.674 -0.294 2.392) 2.934 33.090 ( 5.889 -2.082 -2.241) 6.636 33.741 ( -27.662 -16.401 25.290) 40.912 34.450 ( -4.789 -28.486 -5.157) 29.342 35.905 ( -1.583 0.596 0.677) 1.822 35.988 ( -0.699 -0.074 -0.718) 1.005 36.366 ( 2.030 -7.674 6.711) 10.394 36.590 ( 7.913 -19.728 -3.914) 21.613 39.453 ( -0.431 10.039 -0.378) 10.055 39.478 ( 0.620 7.203 -0.931) 7.289 39.574 ( -1.966 4.168 1.839) 4.962 39.581 ( -1.394 4.821 -1.316) 5.189 39.862 ( 3.691 6.097 2.616) 7.592 39.880 ( 4.476 4.545 -1.411) 6.533 40.686 ( -16.607 44.322 -14.166) 49.406 40.879 ( -14.913 42.816 21.136) 50.023 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.879 7.314 21.041) 22.293 1.146 ( 14.590 6.252 -5.114) 16.677 1.288 ( 8.448 12.825 0.469) 15.364 1.308 ( -2.709 2.911 -1.939) 4.424 1.541 ( 7.073 12.920 -1.709) 14.828 1.703 ( -9.264 3.088 0.852) 9.802 1.870 ( -11.799 3.184 0.443) 12.229 1.993 ( -10.952 2.315 -4.340) 12.006 2.088 ( 4.817 -2.244 -1.500) 5.522 2.197 ( 10.055 3.018 1.102) 10.555 2.248 ( 8.372 5.088 -2.147) 10.029 2.459 ( 8.310 0.774 2.842) 8.816 2.533 ( 2.475 -0.534 4.917) 5.531 2.588 ( 12.650 2.205 -0.093) 12.841 2.642 ( 2.662 6.880 -3.337) 8.096 2.778 ( 11.531 0.601 -1.741) 11.677 2.854 ( 5.027 5.143 2.135) 7.502 3.036 ( 10.030 4.583 -10.528) 15.246 3.098 ( 4.371 -1.782 1.096) 4.846 3.112 ( 2.277 -1.126 -2.995) 3.927 3.511 ( -9.529 -0.687 3.848) 10.299 3.581 ( -7.501 -0.945 -0.831) 7.606 3.623 ( -17.027 1.529 -2.978) 17.353 3.829 ( -13.516 -3.721 0.902) 14.048 4.096 ( 0.553 -2.753 0.784) 2.915 4.234 ( -4.030 -0.056 0.161) 4.034 4.241 ( 0.883 1.617 4.296) 4.674 4.318 ( -5.069 0.905 -0.935) 5.233 4.466 ( -2.603 2.495 1.027) 3.748 4.501 ( -2.456 1.922 0.317) 3.134 4.723 ( 3.444 -3.389 -1.676) 5.114 4.781 ( 1.284 1.676 1.796) 2.772 4.820 ( -0.200 1.855 -3.633) 4.084 4.929 ( -2.071 0.876 2.334) 3.241 5.021 ( 0.154 -1.480 -4.371) 4.618 5.056 ( -0.348 1.770 4.268) 4.633 5.314 ( 3.377 1.517 0.087) 3.703 5.376 ( 2.315 1.358 3.173) 4.156 5.507 ( -4.361 2.978 -0.809) 5.342 5.613 ( -7.278 6.052 -1.765) 9.628 5.655 ( 2.173 -0.061 -2.441) 3.269 5.720 ( -0.879 5.061 -0.594) 5.171 5.848 ( 1.068 4.000 2.066) 4.627 5.939 ( -3.960 5.619 1.705) 7.082 6.071 ( -3.579 0.312 -2.600) 4.435 6.089 ( 1.218 3.803 -1.832) 4.394 6.125 ( -1.552 3.467 1.874) 4.236 6.197 ( -3.715 -2.823 7.422) 8.767 6.356 ( 4.465 2.043 -4.964) 6.982 6.476 ( -1.631 0.392 -0.650) 1.799 6.603 ( 5.255 6.280 -7.342) 10.998 6.706 ( -2.236 -0.728 7.443) 7.806 6.785 ( 1.128 1.186 -0.278) 1.660 6.985 ( -2.023 10.619 8.374) 13.674 7.290 ( 7.259 -5.642 -8.585) 12.579 7.473 ( 8.341 -0.899 -3.123) 8.952 7.732 ( 1.903 -2.056 4.605) 5.390 8.080 ( -8.671 -1.592 1.671) 8.973 8.439 ( 7.626 -9.339 -4.989) 13.049 8.542 ( 3.481 -4.830 -2.872) 6.610 12.305 ( 0.295 -6.087 1.344) 6.241 12.344 ( -1.455 -7.789 -0.095) 7.925 12.578 ( 2.232 1.557 -3.527) 4.455 12.598 ( 1.393 2.219 1.427) 2.983 12.769 ( 0.770 -2.718 -0.707) 2.912 12.857 ( -3.010 -0.980 0.816) 3.269 12.991 ( 2.022 2.390 -5.323) 6.175 13.014 ( 0.223 2.873 4.493) 5.337 17.487 ( 0.266 -0.100 0.676) 0.733 17.532 ( -2.494 0.033 1.181) 2.759 17.615 ( 3.308 -0.278 -1.030) 3.476 17.754 ( -3.269 -1.588 2.776) 4.573 18.365 ( 1.454 0.876 -1.653) 2.369 18.414 ( 1.292 1.054 1.399) 2.177 18.451 ( -1.709 -0.277 2.193) 2.794 18.484 ( -1.276 0.555 -1.157) 1.810 20.869 ( 1.112 -0.602 1.430) 1.909 20.927 ( -1.268 -1.317 -2.461) 3.065 21.169 ( 0.525 -0.641 1.351) 1.585 21.190 ( -0.363 -0.591 -1.659) 1.799 21.400 ( 4.211 -0.543 -0.739) 4.309 21.526 ( 1.650 -3.395 -0.955) 3.894 21.609 ( 0.629 -2.934 -0.411) 3.028 21.682 ( -0.795 -2.670 0.420) 2.818 22.608 ( 1.826 -1.784 0.684) 2.643 22.684 ( 2.485 -3.173 -1.223) 4.212 22.705 ( -2.107 0.810 -0.446) 2.301 22.772 ( -1.227 -0.190 0.360) 1.292 29.271 ( -0.375 -0.276 0.370) 0.595 29.277 ( -0.706 -0.309 0.089) 0.776 29.320 ( 0.372 -0.945 -0.420) 1.098 29.326 ( 0.023 -0.978 0.619) 1.158 32.910 ( 0.849 -0.543 -0.868) 1.330 33.079 ( -7.951 -2.702 11.143) 13.953 33.541 ( 7.533 -7.517 6.128) 12.280 34.202 ( -17.557 -19.558 -1.207) 26.311 35.906 ( 1.046 -0.058 0.050) 1.049 35.962 ( -1.505 -0.082 -0.433) 1.568 36.447 ( 5.019 -7.561 6.977) 11.446 36.643 ( -1.685 -15.729 -5.320) 16.689 39.452 ( 0.411 8.414 -0.879) 8.469 39.485 ( -0.079 2.823 -0.982) 2.990 39.536 ( -1.507 9.081 1.967) 9.413 39.552 ( -1.343 4.929 -0.632) 5.147 39.965 ( 6.161 11.306 1.764) 12.996 39.994 ( 6.946 11.008 -0.508) 13.026 40.382 ( -12.390 30.753 -4.178) 33.417 40.535 ( -17.682 31.520 6.849) 36.784 ======================= Grid point 129 (58/70) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -4.540 4.475 -14.483) 15.824 1.181 ( 4.540 4.475 14.483) 15.824 1.437 ( -12.757 3.588 2.913) 13.568 1.437 ( 12.757 3.588 -2.913) 13.568 1.564 ( -15.093 3.975 0.898) 15.634 1.564 ( 15.093 3.975 -0.898) 15.634 1.778 ( -9.800 10.918 -1.163) 14.717 1.778 ( 9.800 10.918 1.163) 14.717 2.183 ( -3.657 0.103 -0.814) 3.748 2.183 ( 3.657 0.103 0.814) 3.748 2.440 ( 5.804 2.800 -5.833) 8.692 2.440 ( -5.804 2.800 5.833) 8.692 2.652 ( -3.780 1.975 -2.787) 5.095 2.652 ( 3.780 1.975 2.787) 5.095 2.831 ( 5.416 0.631 -8.911) 10.446 2.831 ( -5.416 0.631 8.911) 10.446 3.006 ( -14.257 3.630 -4.951) 15.523 3.006 ( 14.257 3.630 4.951) 15.523 3.279 ( -8.246 -0.524 -0.356) 8.271 3.279 ( 8.246 -0.524 0.356) 8.271 3.393 ( 3.297 -1.143 -6.888) 7.722 3.393 ( -3.297 -1.143 6.888) 7.722 3.484 ( -3.289 1.254 -6.160) 7.094 3.484 ( 3.289 1.254 6.160) 7.094 4.145 ( -1.640 -1.627 -6.115) 6.537 4.145 ( 1.640 -1.627 6.115) 6.537 4.268 ( -0.641 2.968 -3.127) 4.359 4.268 ( 0.641 2.968 3.127) 4.359 4.459 ( -0.803 2.320 -2.524) 3.521 4.459 ( 0.803 2.320 2.524) 3.521 4.776 ( -1.286 -0.801 -2.169) 2.645 4.776 ( 1.286 -0.801 2.169) 2.645 4.860 ( -4.067 0.674 -2.445) 4.793 4.860 ( 4.067 0.674 2.445) 4.793 5.038 ( 1.465 1.889 -5.985) 6.444 5.038 ( -1.465 1.889 5.985) 6.444 5.382 ( 1.123 1.977 -2.627) 3.475 5.382 ( -1.123 1.977 2.627) 3.475 5.492 ( -4.057 5.532 -0.916) 6.921 5.492 ( 4.057 5.532 0.916) 6.921 5.698 ( 1.812 3.092 -1.819) 4.019 5.698 ( -1.812 3.092 1.819) 4.019 5.870 ( -0.318 6.360 -1.828) 6.625 5.870 ( 0.318 6.360 1.828) 6.625 6.057 ( 1.397 1.107 -2.049) 2.716 6.057 ( -1.397 1.107 2.049) 2.716 6.151 ( 1.569 -1.117 -5.750) 6.064 6.151 ( -1.569 -1.117 5.750) 6.064 6.436 ( 2.102 -0.557 -4.529) 5.024 6.436 ( -2.102 -0.557 4.529) 5.024 6.664 ( 2.143 1.877 -8.990) 9.430 6.664 ( -2.143 1.877 8.990) 9.430 6.880 ( 6.329 8.893 -3.569) 11.484 6.880 ( -6.329 8.893 3.569) 11.484 7.457 ( 2.380 -4.509 -12.170) 13.195 7.457 ( -2.380 -4.509 12.170) 13.195 7.882 ( -4.032 -3.070 -4.745) 6.942 7.882 ( 4.032 -3.070 4.745) 6.942 8.542 ( -0.794 -8.060 -2.813) 8.573 8.542 ( 0.794 -8.060 2.813) 8.573 12.320 ( -0.842 -7.480 -0.657) 7.555 12.320 ( 0.842 -7.480 0.657) 7.555 12.606 ( 0.682 2.268 -3.128) 3.923 12.606 ( -0.682 2.268 3.128) 3.923 12.802 ( 1.038 -2.290 -1.878) 3.138 12.802 ( -1.038 -2.290 1.878) 3.138 13.013 ( 0.604 3.275 -6.306) 7.131 13.013 ( -0.604 3.275 6.306) 7.131 17.500 ( -0.858 0.114 -0.182) 0.884 17.500 ( 0.858 0.114 0.182) 0.884 17.684 ( 2.866 -0.679 -1.561) 3.333 17.684 ( -2.866 -0.679 1.561) 3.333 18.400 ( 1.810 0.548 -2.237) 2.929 18.400 ( -1.810 0.548 2.237) 2.929 18.455 ( -1.188 0.549 -1.862) 2.276 18.455 ( 1.188 0.549 1.862) 2.276 20.897 ( -1.432 -0.951 -2.294) 2.866 20.897 ( 1.432 -0.951 2.294) 2.866 21.180 ( -0.400 -0.622 -1.855) 1.997 21.180 ( 0.400 -0.622 1.855) 1.997 21.483 ( -3.831 -0.984 0.332) 3.969 21.483 ( 3.831 -0.984 -0.332) 3.969 21.654 ( 0.242 -4.110 -0.237) 4.124 21.654 ( -0.242 -4.110 0.237) 4.124 22.652 ( -1.559 -0.194 -1.482) 2.160 22.652 ( 1.559 -0.194 1.482) 2.160 22.737 ( 0.188 -1.737 -2.260) 2.857 22.737 ( -0.188 -1.737 2.260) 2.857 29.268 ( -0.117 -0.185 -0.184) 0.286 29.268 ( 0.117 -0.185 0.184) 0.286 29.325 ( 0.143 -0.989 -0.690) 1.214 29.325 ( -0.143 -0.989 0.690) 1.214 32.954 ( 4.238 -1.047 -6.872) 8.142 32.954 ( -4.238 -1.047 6.872) 8.142 33.830 ( -17.196 -11.964 -1.440) 20.998 33.830 ( 17.196 -11.964 1.440) 20.998 35.932 ( -1.092 -0.164 -0.423) 1.183 35.932 ( 1.092 -0.164 0.423) 1.183 36.559 ( -4.501 -10.058 -8.488) 13.909 36.559 ( 4.501 -10.058 8.488) 13.909 39.468 ( 0.163 4.811 -1.181) 4.956 39.468 ( -0.163 4.811 1.181) 4.956 39.531 ( -0.522 7.586 -0.949) 7.663 39.531 ( 0.522 7.586 0.949) 7.663 40.082 ( -1.984 19.504 -2.998) 19.833 40.082 ( 1.984 19.504 2.998) 19.833 40.270 ( -0.553 19.485 -8.091) 21.105 40.270 ( 0.553 19.485 8.091) 21.105 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -7.887 12.089 -12.415) 19.039 1.164 ( 7.887 12.089 12.415) 19.039 1.483 ( 8.518 10.272 -13.413) 18.921 1.483 ( -8.518 10.272 13.413) 18.921 1.709 ( 8.349 2.984 -7.797) 11.807 1.709 ( -8.349 2.984 7.797) 11.807 1.946 ( 1.367 1.492 -1.528) 2.536 1.946 ( -1.367 1.492 1.528) 2.536 2.118 ( 1.126 1.625 -7.049) 7.321 2.118 ( -1.126 1.625 7.049) 7.321 2.282 ( 1.279 1.579 -2.102) 2.924 2.282 ( -1.279 1.579 2.102) 2.924 2.372 ( -7.095 -4.594 0.043) 8.453 2.372 ( 7.096 -4.594 -0.043) 8.453 2.712 ( -2.146 6.401 -3.808) 7.751 2.712 ( 2.146 6.401 3.808) 7.751 2.891 ( 1.167 11.426 -7.995) 13.994 2.891 ( -1.167 11.426 7.995) 13.994 3.182 ( 0.612 8.263 -7.600) 11.243 3.182 ( -0.612 8.263 7.600) 11.243 3.682 ( 1.146 -0.789 -4.117) 4.346 3.682 ( -1.146 -0.789 4.117) 4.346 3.875 ( 0.416 -7.180 -4.243) 8.351 3.875 ( -0.416 -7.180 4.243) 8.351 4.144 ( -1.073 0.443 -2.596) 2.844 4.144 ( 1.073 0.443 2.596) 2.844 4.335 ( -0.745 -4.012 -2.216) 4.644 4.335 ( 0.745 -4.012 2.216) 4.644 4.667 ( -6.936 0.832 -0.989) 7.055 4.667 ( 6.936 0.832 0.989) 7.055 4.719 ( 2.979 -3.127 -4.327) 6.114 4.719 ( -2.979 -3.127 4.327) 6.114 4.807 ( 2.896 2.391 -1.468) 4.033 4.807 ( -2.896 2.391 1.468) 4.033 5.018 ( -3.002 -2.384 -3.077) 4.916 5.018 ( 3.002 -2.384 3.077) 4.916 5.274 ( 1.100 1.284 -2.857) 3.320 5.274 ( -1.100 1.284 2.857) 3.320 5.655 ( -1.610 2.307 -0.445) 2.848 5.655 ( 1.610 2.307 0.445) 2.848 5.757 ( -2.997 0.272 -1.494) 3.360 5.757 ( 2.997 0.272 1.494) 3.360 5.997 ( -4.034 1.761 -0.044) 4.402 5.997 ( 4.034 1.761 0.044) 4.402 6.100 ( -2.973 3.639 -1.272) 4.868 6.100 ( 2.973 3.639 1.272) 4.868 6.318 ( -1.102 -0.455 -3.398) 3.601 6.318 ( 1.102 -0.455 3.398) 3.601 6.480 ( -5.615 7.214 0.302) 9.147 6.480 ( 5.615 7.214 -0.302) 9.147 6.680 ( 2.890 -1.349 -4.035) 5.143 6.680 ( -2.890 -1.349 4.035) 5.143 6.974 ( -6.639 -0.095 -0.229) 6.644 6.974 ( 6.639 -0.095 0.229) 6.644 7.285 ( 4.401 7.185 -7.717) 11.426 7.285 ( -4.401 7.185 7.717) 11.426 7.812 ( 1.056 0.722 -3.717) 3.931 7.812 ( -1.056 0.722 3.717) 3.931 8.404 ( 4.789 2.209 -4.828) 7.150 8.404 ( -4.789 2.209 4.828) 7.150 12.279 ( 0.379 -4.972 -1.959) 5.357 12.279 ( -0.379 -4.972 1.959) 5.357 12.468 ( -1.133 -2.741 -1.120) 3.170 12.468 ( 1.133 -2.741 1.120) 3.170 12.836 ( 1.629 0.135 -2.350) 2.863 12.836 ( -1.629 0.135 2.350) 2.863 13.007 ( -2.982 2.288 -1.949) 4.234 13.007 ( 2.982 2.288 1.949) 4.234 17.511 ( 1.113 -0.308 -1.062) 1.569 17.511 ( -1.113 -0.308 1.062) 1.569 17.669 ( -1.043 -2.696 -1.408) 3.215 17.669 ( 1.043 -2.696 1.408) 3.215 18.391 ( -0.730 1.856 -0.745) 2.129 18.391 ( 0.730 1.856 0.745) 2.129 18.494 ( 0.362 -0.501 -1.956) 2.051 18.494 ( -0.362 -0.501 1.956) 2.051 20.884 ( -1.491 -1.077 -0.185) 1.848 20.884 ( 1.491 -1.077 0.185) 1.848 21.165 ( -0.384 -0.920 -0.199) 1.016 21.165 ( 0.384 -0.920 0.199) 1.016 21.296 ( -0.658 -0.156 -0.282) 0.732 21.296 ( 0.658 -0.156 0.282) 0.732 21.645 ( -0.837 -1.561 -0.137) 1.776 21.645 ( 0.837 -1.561 0.137) 1.776 22.534 ( -0.025 -0.933 -1.284) 1.587 22.534 ( 0.025 -0.933 1.284) 1.587 22.789 ( 0.102 -0.244 -0.318) 0.414 22.789 ( -0.102 -0.244 0.318) 0.414 29.274 ( 0.099 -0.942 -0.294) 0.992 29.274 ( -0.099 -0.942 0.294) 0.992 29.296 ( -0.189 -0.976 -0.296) 1.037 29.296 ( 0.189 -0.976 0.296) 1.037 32.961 ( 3.348 -0.926 -2.413) 4.229 32.961 ( -3.348 -0.926 2.413) 4.229 33.682 ( 12.756 -26.698 -22.357) 37.085 33.682 ( -12.756 -26.698 22.357) 37.085 35.974 ( 0.612 0.465 -0.607) 0.979 35.974 ( -0.612 0.465 0.607) 0.979 36.212 ( -0.204 -6.905 -6.337) 9.374 36.212 ( 0.204 -6.905 6.337) 9.374 39.587 ( -1.156 3.169 -2.136) 3.993 39.587 ( 1.156 3.169 2.136) 3.993 39.738 ( -1.268 6.334 -1.364) 6.602 39.738 ( 1.268 6.334 1.364) 6.602 39.988 ( -0.798 13.796 -3.047) 14.151 39.988 ( 0.798 13.796 3.047) 14.151 41.784 ( -2.114 30.385 -36.862) 47.818 41.784 ( 2.114 30.385 36.862) 47.818 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 4.602 12.484 -9.089) 16.114 1.343 ( -1.904 11.050 10.382) 15.281 1.402 ( 8.371 10.134 11.386) 17.389 1.540 ( -6.965 3.895 4.376) 9.101 1.653 ( 8.069 14.353 -11.243) 19.938 1.828 ( -2.574 -5.920 2.045) 6.772 1.932 ( 4.393 3.173 -4.330) 6.937 2.031 ( 7.188 -0.217 0.702) 7.225 2.095 ( -2.738 0.812 -3.251) 4.327 2.152 ( 0.527 2.401 -0.271) 2.473 2.268 ( 2.525 4.192 0.060) 4.894 2.285 ( 2.088 -0.466 -4.071) 4.599 2.391 ( 6.340 -3.681 -2.932) 7.896 2.520 ( 8.984 1.360 0.897) 9.131 2.620 ( -1.532 8.354 2.402) 8.827 2.798 ( 2.538 5.146 0.683) 5.778 2.929 ( 3.549 6.682 8.463) 11.352 2.973 ( 5.758 8.402 -2.960) 10.607 3.121 ( -3.214 6.896 0.499) 7.625 3.189 ( -0.377 10.762 -5.747) 12.207 3.632 ( -4.617 -0.635 5.285) 7.046 3.664 ( -3.019 -1.018 -2.819) 4.254 3.819 ( -5.358 -6.127 0.651) 8.165 3.853 ( -3.339 -8.155 -1.723) 8.979 4.101 ( -2.706 0.708 -3.354) 4.368 4.182 ( 2.709 0.743 1.585) 3.225 4.320 ( -1.257 -1.159 -0.613) 1.816 4.355 ( 0.059 -4.859 0.067) 4.859 4.526 ( -4.648 -0.255 2.374) 5.226 4.595 ( -5.289 0.541 4.137) 6.736 4.733 ( -3.024 3.608 -0.496) 4.734 4.778 ( 3.015 -0.117 1.347) 3.304 4.823 ( 3.256 0.379 -4.135) 5.277 4.907 ( 5.310 -0.884 -3.224) 6.274 4.947 ( -2.548 -4.219 -0.316) 4.939 5.060 ( 0.455 -1.011 3.042) 3.237 5.279 ( 2.433 1.082 1.651) 3.134 5.320 ( 3.113 1.530 -2.285) 4.153 5.627 ( -1.804 1.870 -0.185) 2.605 5.646 ( -1.271 1.119 -0.955) 1.944 5.769 ( 3.719 1.508 -0.292) 4.023 5.806 ( -0.151 2.585 -0.358) 2.614 5.934 ( -0.633 0.391 2.182) 2.305 5.971 ( -3.322 6.328 -1.639) 7.332 6.110 ( 2.512 -0.322 0.683) 2.623 6.165 ( 2.369 4.301 -0.021) 4.911 6.281 ( -2.199 1.037 -0.293) 2.449 6.300 ( -7.385 3.690 -0.088) 8.256 6.464 ( 2.749 3.911 1.090) 4.903 6.590 ( 1.806 4.565 -3.353) 5.945 6.600 ( 1.004 3.035 -0.291) 3.210 6.726 ( 0.497 1.460 1.507) 2.156 6.820 ( -3.379 -1.971 -1.726) 4.275 7.050 ( -4.801 10.039 6.496) 12.885 7.188 ( 9.029 -1.215 0.775) 9.143 7.438 ( 0.857 7.857 3.756) 8.750 7.688 ( -3.792 -2.510 -4.389) 6.320 8.021 ( 11.468 -6.717 -7.751) 15.386 8.271 ( -8.648 2.506 5.837) 10.730 8.462 ( 1.214 -0.075 -3.505) 3.710 12.229 ( -2.814 -4.970 1.748) 5.973 12.259 ( -2.159 -3.511 0.417) 4.143 12.489 ( 3.336 -3.860 -3.641) 6.268 12.540 ( 4.166 -2.508 -1.813) 5.190 12.767 ( -2.524 0.923 1.770) 3.218 12.920 ( 2.212 -0.403 -2.618) 3.451 12.942 ( -1.623 1.219 0.084) 2.031 13.055 ( 1.540 2.490 3.627) 4.661 17.487 ( -0.756 -0.154 1.387) 1.587 17.549 ( 2.031 -0.639 -0.767) 2.263 17.590 ( -3.235 -0.660 1.116) 3.485 17.723 ( 1.106 -3.279 0.661) 3.523 18.381 ( -0.015 1.856 -0.746) 2.000 18.413 ( 1.293 1.616 0.629) 2.163 18.475 ( -1.236 -0.263 1.485) 1.950 18.501 ( -0.055 -0.398 -0.739) 0.842 20.856 ( -0.816 -0.328 -0.096) 0.884 20.903 ( 0.205 -1.853 -0.777) 2.020 21.151 ( -0.273 -0.622 0.381) 0.779 21.176 ( 0.057 -1.209 -0.713) 1.404 21.321 ( 2.767 -0.300 -0.181) 2.790 21.353 ( 4.507 -1.764 0.461) 4.862 21.615 ( -2.115 -1.273 -0.039) 2.469 21.648 ( -0.617 -2.148 0.157) 2.240 22.544 ( 1.530 -0.491 -0.664) 1.739 22.567 ( 2.588 -1.425 -0.461) 2.990 22.764 ( -1.911 0.025 0.211) 1.923 22.787 ( -0.780 -0.634 -0.155) 1.017 29.269 ( -0.302 -0.654 0.122) 0.731 29.275 ( -0.195 -0.872 -0.214) 0.919 29.294 ( 0.035 -0.972 0.013) 0.973 29.301 ( 0.154 -1.135 0.323) 1.190 32.910 ( -1.668 -0.296 1.311) 2.142 33.035 ( 2.998 -3.228 -0.151) 4.408 33.409 ( -12.291 -15.200 19.860) 27.866 33.824 ( 1.514 -29.693 -15.226) 33.404 35.926 ( -1.840 1.371 0.828) 2.440 35.986 ( -0.764 -0.088 -0.519) 0.928 36.215 ( 2.417 -6.725 0.434) 7.160 36.302 ( 5.082 -9.728 -0.770) 11.002 39.540 ( -1.440 2.428 0.236) 2.833 39.616 ( 0.165 2.180 -0.152) 2.192 39.714 ( 0.180 11.764 -0.145) 11.767 39.809 ( 1.709 11.634 -1.130) 11.813 40.022 ( 6.063 10.568 -2.259) 12.391 40.046 ( 5.806 11.677 3.489) 13.499 41.512 ( -20.436 33.231 -25.469) 46.590 41.625 ( -19.529 28.602 28.503) 44.854 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 3.887 7.289 4.257) 9.293 1.327 ( 0.700 9.280 7.668) 12.058 1.436 ( -0.059 9.086 -6.737) 11.311 1.557 ( 4.639 11.719 -0.045) 12.604 1.695 ( -4.840 3.344 4.283) 7.277 1.836 ( 0.546 8.756 2.275) 9.063 1.896 ( -3.087 0.111 -5.371) 6.196 2.030 ( 3.501 1.469 -4.409) 5.819 2.145 ( -1.349 5.982 -1.489) 6.310 2.249 ( 3.345 3.285 -1.196) 4.839 2.342 ( 6.495 1.174 -3.853) 7.642 2.441 ( 12.110 -2.423 -0.268) 12.353 2.512 ( 5.294 -1.914 -1.784) 5.905 2.638 ( 5.442 5.443 2.605) 8.125 2.722 ( 4.327 -0.868 0.863) 4.497 2.895 ( 9.841 9.692 5.235) 14.771 2.988 ( 0.508 -0.999 3.587) 3.757 3.028 ( 1.592 6.367 4.257) 7.823 3.130 ( 3.631 0.211 -2.043) 4.171 3.210 ( 4.737 11.377 -10.228) 16.015 3.481 ( -10.281 -2.736 3.426) 11.177 3.571 ( -5.893 0.678 -1.677) 6.164 3.651 ( -11.411 -0.035 0.385) 11.417 3.722 ( -9.721 -5.940 0.466) 11.402 4.072 ( 0.869 0.557 -2.183) 2.415 4.224 ( -2.678 -0.401 -0.302) 2.725 4.270 ( 0.225 0.966 2.339) 2.541 4.327 ( -1.053 -0.005 -1.189) 1.588 4.509 ( -0.582 1.521 3.367) 3.740 4.566 ( 2.533 2.674 0.688) 3.747 4.661 ( -2.885 0.237 -2.812) 4.036 4.808 ( -0.682 -0.491 1.505) 1.723 4.845 ( -0.243 0.024 1.899) 1.915 4.909 ( -0.546 -1.511 -2.044) 2.600 4.998 ( 3.544 -1.470 -4.836) 6.173 5.069 ( 0.080 -0.712 4.088) 4.151 5.357 ( 4.452 1.751 1.018) 4.891 5.392 ( 4.098 1.096 -1.936) 4.663 5.568 ( -3.024 2.305 0.394) 3.823 5.627 ( -2.179 -0.487 -2.729) 3.526 5.775 ( 0.253 7.377 0.085) 7.382 5.866 ( 3.091 6.131 -0.872) 6.922 5.900 ( 0.357 3.067 0.016) 3.088 5.992 ( 0.506 -0.052 5.377) 5.401 6.084 ( -4.692 0.935 1.824) 5.120 6.142 ( -6.142 2.172 -0.886) 6.574 6.203 ( -0.325 4.880 -1.846) 5.228 6.224 ( -1.571 2.235 0.907) 2.878 6.450 ( -0.345 6.355 -1.758) 6.602 6.519 ( -2.283 4.249 -0.535) 4.853 6.724 ( -0.362 2.803 6.525) 7.111 6.759 ( -1.664 5.599 -8.058) 9.953 6.842 ( 12.489 5.468 -0.962) 13.667 7.116 ( 9.011 0.741 4.672) 10.177 7.270 ( -4.915 5.476 3.560) 8.174 7.442 ( 2.104 -0.828 -5.755) 6.183 7.639 ( 1.006 -5.911 -1.535) 6.189 8.057 ( -11.564 -1.966 6.314) 13.321 8.228 ( 7.963 -8.366 -2.838) 11.894 8.449 ( -2.371 -4.437 -3.067) 5.892 12.194 ( -0.732 -4.521 0.681) 4.630 12.220 ( -1.602 -3.523 -0.336) 3.884 12.559 ( 3.450 -3.341 -3.960) 6.225 12.602 ( 1.804 -2.395 0.091) 3.000 12.744 ( 0.308 0.753 0.288) 0.863 12.853 ( -4.156 0.782 1.226) 4.403 13.006 ( 3.426 -0.525 -3.148) 4.682 13.072 ( -0.120 1.889 4.334) 4.729 17.485 ( 0.462 0.080 1.324) 1.405 17.533 ( -1.867 0.153 0.266) 1.892 17.605 ( 2.835 -0.786 -1.163) 3.164 17.713 ( -1.888 -2.350 1.437) 3.339 18.390 ( 0.962 1.512 -1.123) 2.115 18.440 ( 1.077 1.345 1.069) 2.028 18.448 ( -1.286 0.071 1.448) 1.938 18.491 ( -0.866 0.119 -0.848) 1.218 20.855 ( 0.619 -0.657 0.770) 1.186 20.894 ( -0.821 -1.650 -1.305) 2.258 21.153 ( 0.399 -0.809 0.718) 1.153 21.172 ( -0.294 -1.076 -0.938) 1.457 21.388 ( 3.751 -0.632 -0.460) 3.832 21.446 ( 3.995 -3.463 0.345) 5.298 21.568 ( -2.264 -1.415 0.188) 2.677 21.621 ( -2.033 -2.996 0.077) 3.621 22.588 ( 2.840 -0.148 -0.677) 2.923 22.630 ( 3.585 -1.670 -0.387) 3.973 22.716 ( -2.921 0.130 0.105) 2.925 22.758 ( -2.152 -1.060 0.064) 2.400 29.264 ( -0.159 -0.386 0.093) 0.428 29.268 ( -0.368 -0.447 -0.084) 0.585 29.297 ( 0.227 -1.186 -0.026) 1.208 29.303 ( -0.012 -1.228 0.267) 1.257 32.897 ( 0.335 -0.655 -1.580) 1.742 33.008 ( -5.302 -3.990 9.377) 11.487 33.355 ( 5.674 -10.009 5.397) 12.709 33.738 ( -8.186 -23.771 -8.284) 26.471 35.914 ( 0.440 0.967 0.364) 1.123 35.961 ( -1.437 0.038 -0.328) 1.474 36.281 ( 3.741 -7.973 1.266) 8.897 36.368 ( 1.160 -11.032 -1.445) 11.187 39.538 ( 1.251 3.889 0.861) 4.175 39.619 ( -0.183 4.205 -1.038) 4.335 39.701 ( -0.890 12.688 -0.272) 12.722 39.786 ( -2.941 12.921 -0.435) 13.259 40.236 ( 14.256 14.146 0.927) 20.105 40.252 ( 15.131 13.325 0.030) 20.161 41.042 ( -23.606 30.104 -13.536) 40.580 41.153 ( -26.897 26.497 15.613) 40.857 ======================= Grid point 137 (62/70) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -1.448 6.805 -8.466) 10.958 1.294 ( 1.448 6.805 8.466) 10.958 1.542 ( 0.867 6.679 -3.057) 7.396 1.542 ( -0.867 6.679 3.057) 7.396 1.696 ( -3.876 7.965 -0.656) 8.882 1.696 ( 3.876 7.965 0.656) 8.882 1.997 ( -5.164 9.188 -1.225) 10.610 1.997 ( 5.164 9.188 1.225) 10.610 2.199 ( -3.073 2.086 0.855) 3.811 2.199 ( 3.073 2.086 -0.855) 3.811 2.480 ( 5.472 0.323 -3.994) 6.782 2.480 ( -5.472 0.323 3.994) 6.782 2.664 ( 0.110 -0.195 -1.877) 1.890 2.664 ( -0.110 -0.195 1.877) 1.890 2.853 ( -2.191 1.264 -5.110) 5.702 2.853 ( 2.191 1.264 5.110) 5.702 3.089 ( -1.549 2.186 -3.870) 4.707 3.089 ( 1.549 2.186 3.870) 4.707 3.250 ( -6.516 -2.229 -2.980) 7.504 3.250 ( 6.516 -2.229 2.980) 7.504 3.391 ( -5.191 1.992 -0.850) 5.625 3.391 ( 5.191 1.992 0.850) 5.625 3.541 ( 0.892 3.957 -7.096) 8.174 3.541 ( -0.892 3.957 7.096) 8.174 4.129 ( -1.027 0.197 -5.080) 5.187 4.129 ( 1.027 0.197 5.080) 5.187 4.308 ( -1.203 0.717 -1.356) 1.949 4.308 ( 1.203 0.717 1.356) 1.949 4.535 ( -3.082 5.385 -3.671) 7.209 4.535 ( 3.082 5.385 3.671) 7.209 4.719 ( -3.583 -4.400 -0.894) 5.744 4.719 ( 3.583 -4.400 0.894) 5.744 4.885 ( -1.790 1.287 -5.834) 6.236 4.885 ( 1.790 1.287 5.834) 6.236 5.050 ( 2.163 -1.098 -5.479) 5.992 5.050 ( -2.163 -1.098 5.479) 5.992 5.427 ( -0.646 2.139 -0.034) 2.235 5.427 ( 0.646 2.139 0.034) 2.235 5.561 ( -1.538 0.847 -2.890) 3.382 5.561 ( 1.538 0.847 2.890) 3.382 5.822 ( -1.742 8.240 0.145) 8.423 5.822 ( 1.742 8.240 -0.145) 8.423 5.972 ( 1.093 1.835 -2.708) 3.449 5.972 ( -1.093 1.835 2.708) 3.449 6.043 ( 0.207 1.054 -1.358) 1.731 6.043 ( -0.207 1.054 1.358) 1.731 6.208 ( 1.060 4.001 -3.078) 5.158 6.208 ( -1.060 4.001 3.078) 5.158 6.475 ( 1.037 4.551 -3.767) 5.998 6.475 ( -1.037 4.551 3.767) 5.998 6.726 ( -0.478 4.169 -6.843) 8.027 6.726 ( 0.478 4.169 6.843) 8.027 7.084 ( 7.256 10.110 -3.230) 12.857 7.084 ( -7.256 10.110 3.230) 12.857 7.338 ( -6.088 -5.947 -7.029) 11.038 7.338 ( 6.088 -5.947 7.029) 11.038 7.810 ( 2.890 -3.609 -6.658) 8.106 7.810 ( -2.890 -3.609 6.658) 8.106 8.366 ( -5.648 -8.197 -1.426) 10.056 8.366 ( 5.648 -8.197 1.426) 10.056 12.196 ( -0.254 -4.063 -1.779) 4.443 12.196 ( 0.254 -4.063 1.779) 4.443 12.607 ( 1.110 -2.479 -3.496) 4.427 12.607 ( -1.110 -2.479 3.496) 4.427 12.779 ( 1.754 0.386 -1.464) 2.317 12.779 ( -1.754 0.386 1.464) 2.317 13.056 ( 1.398 0.643 -5.201) 5.424 13.056 ( -1.398 0.643 5.201) 5.424 17.504 ( -1.189 0.289 -0.709) 1.414 17.504 ( 1.189 0.289 0.709) 1.414 17.663 ( 2.709 -1.416 -1.390) 3.358 17.663 ( -2.709 -1.416 1.390) 3.358 18.415 ( 1.077 0.912 -1.991) 2.441 18.415 ( -1.077 0.912 1.991) 2.441 18.469 ( -0.808 0.667 -1.647) 1.952 18.469 ( 0.808 0.667 1.647) 1.952 20.874 ( -0.993 -1.167 -1.421) 2.090 20.874 ( 0.993 -1.167 1.421) 2.090 21.164 ( -0.356 -0.971 -1.241) 1.616 21.164 ( 0.356 -0.971 1.241) 1.616 21.458 ( -2.393 -1.398 0.090) 2.773 21.458 ( 2.393 -1.398 -0.090) 2.773 21.572 ( -2.307 -3.419 -0.377) 4.142 21.572 ( 2.307 -3.419 0.377) 4.142 22.650 ( -1.270 -0.019 -1.158) 1.719 22.650 ( 1.270 -0.019 1.158) 1.719 22.703 ( -0.974 -1.385 -1.687) 2.390 22.703 ( 0.974 -1.385 1.687) 2.390 29.263 ( -0.090 -0.280 -0.102) 0.311 29.263 ( 0.090 -0.280 0.102) 0.311 29.301 ( 0.047 -1.255 -0.461) 1.338 29.301 ( -0.047 -1.255 0.461) 1.338 32.925 ( 2.991 -1.675 -6.246) 7.125 32.925 ( -2.991 -1.675 6.246) 7.125 33.536 ( -9.730 -15.717 -4.998) 19.149 33.536 ( 9.730 -15.717 4.998) 19.149 35.933 ( -0.917 0.379 -0.601) 1.160 35.933 ( 0.917 0.379 0.601) 1.160 36.349 ( -0.764 -9.753 -6.267) 11.618 36.349 ( 0.764 -9.753 6.267) 11.618 39.583 ( -2.056 6.467 -2.222) 7.141 39.583 ( 2.056 6.467 2.222) 7.141 39.723 ( -1.240 10.422 -1.358) 10.583 39.723 ( 1.240 10.422 1.358) 10.583 40.538 ( -5.037 22.580 -8.013) 24.484 40.538 ( 5.037 22.580 8.013) 24.484 40.694 ( 4.102 20.118 -11.093) 23.337 40.694 ( -4.102 20.118 11.093) 23.337 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -4.769 11.041 -7.552) 14.201 1.409 ( 4.769 11.041 7.552) 14.201 1.615 ( 4.022 4.643 -3.664) 7.153 1.615 ( -4.022 4.643 3.664) 7.153 1.739 ( 0.566 -0.105 -5.149) 5.181 1.739 ( -0.566 -0.105 5.149) 5.181 1.978 ( 4.802 0.853 -8.032) 9.396 1.978 ( -4.802 0.853 8.032) 9.396 2.099 ( -0.056 -3.062 -5.006) 5.869 2.099 ( 0.056 -3.062 5.006) 5.869 2.225 ( -5.060 -3.719 -4.634) 7.804 2.225 ( 5.060 -3.719 4.634) 7.804 2.300 ( 4.575 -2.630 -11.439) 12.598 2.300 ( -4.575 -2.630 11.439) 12.598 2.860 ( -2.671 6.710 -5.314) 8.966 2.860 ( 2.671 6.710 5.314) 8.966 3.040 ( 2.346 3.057 -4.703) 6.080 3.040 ( -2.346 3.057 4.703) 6.080 3.458 ( 2.492 14.727 -9.505) 17.704 3.458 ( -2.492 14.727 9.505) 17.704 3.663 ( -0.243 -2.744 -1.488) 3.131 3.663 ( 0.243 -2.744 1.488) 3.131 3.720 ( -0.681 -5.395 -0.644) 5.476 3.720 ( 0.681 -5.395 0.644) 5.476 4.191 ( -1.288 3.181 -1.140) 3.616 4.191 ( 1.288 3.181 1.140) 3.616 4.276 ( 0.784 -0.915 -1.105) 1.635 4.276 ( -0.784 -0.915 1.105) 1.635 4.623 ( 1.153 -2.294 -3.054) 3.989 4.623 ( -1.153 -2.294 3.054) 3.989 4.714 ( -2.208 1.163 -3.215) 4.070 4.714 ( 2.208 1.163 3.215) 4.070 4.835 ( 1.142 -0.976 -1.493) 2.118 4.835 ( -1.142 -0.976 1.493) 2.118 4.994 ( -3.586 0.526 -0.490) 3.658 4.994 ( 3.586 0.526 0.490) 3.658 5.316 ( -0.507 2.359 -2.839) 3.725 5.316 ( 0.507 2.359 2.839) 3.725 5.659 ( -0.260 -0.866 -1.963) 2.161 5.659 ( 0.260 -0.866 1.963) 2.161 5.798 ( 1.313 2.846 -2.289) 3.881 5.798 ( -1.313 2.846 2.289) 3.881 6.042 ( -4.962 2.663 -3.709) 6.743 6.042 ( 4.962 2.663 3.709) 6.743 6.165 ( -4.526 1.477 0.058) 4.761 6.165 ( 4.526 1.477 -0.058) 4.761 6.298 ( 0.499 -1.322 -2.851) 3.182 6.298 ( -0.499 -1.322 2.851) 3.182 6.571 ( -0.949 2.484 -3.137) 4.113 6.571 ( 0.949 2.484 3.137) 4.113 6.704 ( -2.971 2.941 -2.303) 4.773 6.704 ( 2.971 2.941 2.303) 4.773 6.963 ( 1.431 -0.343 -4.835) 5.054 6.963 ( -1.431 -0.343 4.835) 5.054 7.407 ( 7.826 4.110 -8.874) 12.525 7.407 ( -7.826 4.110 8.874) 12.525 7.824 ( 0.956 0.963 -9.044) 9.145 7.824 ( -0.956 0.963 9.044) 9.145 8.431 ( 0.579 0.517 -4.721) 4.785 8.431 ( -0.579 0.517 4.721) 4.785 12.206 ( 0.192 -1.945 -2.615) 3.264 12.206 ( -0.192 -1.945 2.615) 3.264 12.393 ( -0.542 -4.277 -1.067) 4.442 12.393 ( 0.542 -4.277 1.067) 4.442 12.860 ( 2.771 1.949 -1.136) 3.573 12.860 ( -2.771 1.949 1.136) 3.573 13.040 ( -2.844 0.785 -1.219) 3.192 13.040 ( 2.844 0.785 1.219) 3.192 17.506 ( 1.173 -0.031 -1.503) 1.907 17.506 ( -1.173 -0.031 1.503) 1.907 17.626 ( 0.144 -1.629 -1.014) 1.924 17.626 ( -0.144 -1.629 1.014) 1.924 18.423 ( -0.089 1.158 -0.749) 1.381 18.423 ( 0.089 1.158 0.749) 1.381 18.488 ( 0.448 -0.022 -0.636) 0.779 18.488 ( -0.448 -0.022 0.636) 0.779 20.867 ( -0.648 -0.613 -0.188) 0.912 20.867 ( 0.648 -0.613 0.188) 0.912 21.149 ( -0.257 -0.623 -0.108) 0.682 21.149 ( 0.257 -0.623 0.108) 0.682 21.294 ( -0.384 -0.103 -0.088) 0.407 21.294 ( 0.384 -0.103 0.088) 0.407 21.615 ( -0.440 -1.311 -0.069) 1.385 21.615 ( 0.440 -1.311 0.069) 1.385 22.546 ( -0.016 1.770 -2.068) 2.722 22.546 ( 0.016 1.770 2.068) 2.722 22.770 ( 0.177 -1.605 -0.533) 1.701 22.770 ( -0.177 -1.605 0.533) 1.701 29.260 ( 0.106 -0.474 -0.349) 0.598 29.260 ( -0.106 -0.474 0.349) 0.598 29.278 ( -0.157 -0.839 -0.128) 0.863 29.278 ( 0.157 -0.839 0.128) 0.863 32.944 ( -0.578 -0.652 0.061) 0.873 32.944 ( 0.578 -0.652 -0.061) 0.873 33.247 ( 5.918 -16.451 -14.723) 22.856 33.247 ( -5.918 -16.451 14.723) 22.856 35.985 ( 1.044 0.572 -1.246) 1.723 35.985 ( -1.044 0.572 1.246) 1.723 36.105 ( -0.753 -3.975 -4.060) 5.732 36.105 ( 0.753 -3.975 4.060) 5.732 39.637 ( -0.926 1.874 -1.855) 2.794 39.637 ( 0.926 1.874 1.855) 2.794 39.813 ( -0.611 2.069 -1.641) 2.710 39.813 ( 0.611 2.069 1.641) 2.710 40.306 ( -0.349 15.105 -3.267) 15.458 40.306 ( 0.349 15.105 3.267) 15.458 42.213 ( -0.400 13.625 -23.722) 27.359 42.213 ( 0.400 13.625 23.722) 27.359 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 1.761 11.736 -5.457) 13.062 1.525 ( -0.916 7.335 3.414) 8.142 1.576 ( 6.798 5.966 5.685) 10.683 1.626 ( -0.017 5.248 0.723) 5.298 1.766 ( 1.404 0.551 3.130) 3.474 1.873 ( 8.967 3.747 -8.196) 12.713 1.908 ( -0.888 0.721 1.754) 2.094 1.983 ( -1.698 -3.564 -6.885) 7.936 2.144 ( 4.115 2.949 -4.148) 6.545 2.187 ( 6.958 -0.567 1.426) 7.125 2.203 ( 3.296 -4.254 -0.042) 5.382 2.289 ( 3.621 -3.513 5.604) 7.540 2.351 ( 6.575 1.146 -4.929) 8.297 2.454 ( 10.350 -5.125 0.038) 11.550 2.818 ( -0.541 6.469 -4.268) 7.769 2.898 ( -1.425 5.846 3.189) 6.810 2.978 ( 0.168 1.377 5.605) 5.774 3.098 ( 1.603 1.075 -1.001) 2.174 3.359 ( -6.527 14.791 7.323) 17.748 3.470 ( -2.620 9.057 -4.783) 10.572 3.600 ( -8.064 -4.532 3.783) 9.994 3.640 ( -2.212 -5.781 -3.223) 6.978 3.669 ( -1.288 1.472 0.009) 1.956 3.718 ( -2.090 -5.016 0.605) 5.468 4.150 ( -2.166 3.859 -0.788) 4.495 4.224 ( 1.864 2.640 -0.172) 3.236 4.267 ( -0.254 -2.427 -0.383) 2.470 4.304 ( 1.424 -0.829 -1.377) 2.147 4.517 ( -3.643 0.593 2.583) 4.505 4.638 ( -2.664 2.975 -1.287) 4.195 4.739 ( 3.071 -2.422 -0.503) 3.943 4.764 ( 2.242 -0.831 1.439) 2.791 4.839 ( 1.691 -0.523 -0.264) 1.790 4.879 ( 2.485 -2.641 -2.572) 4.447 4.903 ( -4.788 1.653 0.331) 5.076 5.042 ( 1.172 -0.263 1.038) 1.588 5.324 ( 2.267 3.161 -1.833) 4.300 5.358 ( 2.912 1.732 0.370) 3.408 5.636 ( -1.684 0.073 -0.168) 1.694 5.656 ( -1.012 -0.940 0.313) 1.416 5.793 ( 2.087 1.881 2.973) 4.090 5.857 ( 2.664 1.933 -1.436) 3.592 5.972 ( -0.665 1.904 -2.786) 3.440 6.067 ( -3.159 1.655 -0.423) 3.592 6.146 ( 1.766 3.359 1.474) 4.071 6.216 ( 0.176 1.611 -0.507) 1.698 6.280 ( 0.723 -0.738 0.541) 1.166 6.327 ( -2.854 -0.194 0.708) 2.946 6.546 ( 3.330 4.100 0.954) 5.367 6.618 ( -2.479 1.705 -2.147) 3.697 6.696 ( 6.628 2.226 -4.062) 8.086 6.756 ( 2.322 1.779 -1.643) 3.355 6.852 ( -3.191 5.064 5.226) 7.946 7.130 ( 8.634 -3.995 -0.318) 9.519 7.263 ( -5.761 9.240 7.435) 13.185 7.529 ( 3.914 -0.154 -4.823) 6.213 7.684 ( -8.368 3.433 2.645) 9.423 7.919 ( 4.165 -3.338 -2.272) 5.800 8.315 ( -8.033 1.744 1.736) 8.401 8.448 ( -1.639 -1.194 -2.212) 3.001 12.162 ( -1.663 -1.213 0.842) 2.224 12.228 ( -0.503 0.211 -0.802) 0.970 12.389 ( 2.463 -5.653 -2.731) 6.744 12.459 ( 3.688 -4.935 -2.684) 6.720 12.809 ( -2.179 2.760 2.169) 4.132 12.920 ( 3.159 0.112 -0.338) 3.179 12.968 ( -4.149 1.512 0.484) 4.443 13.079 ( 0.911 -0.096 2.650) 2.803 17.490 ( -0.402 0.546 1.712) 1.842 17.535 ( 1.617 -0.629 -1.146) 2.080 17.581 ( -1.828 -0.220 0.236) 1.856 17.663 ( 1.059 -2.701 -0.258) 2.912 18.416 ( -0.045 1.434 -0.012) 1.435 18.439 ( 0.956 0.814 -0.136) 1.263 18.474 ( -0.872 0.161 0.815) 1.204 18.495 ( 0.120 -0.088 -0.266) 0.304 20.850 ( -0.680 -0.151 -0.046) 0.698 20.873 ( -0.079 -1.095 -0.154) 1.109 21.140 ( -0.301 -0.413 0.151) 0.533 21.154 ( -0.022 -0.918 -0.215) 0.943 21.316 ( 2.476 -0.095 0.031) 2.478 21.331 ( 3.021 -0.642 0.136) 3.091 21.592 ( -1.864 -0.982 -0.022) 2.107 21.608 ( -1.140 -1.643 0.060) 2.001 22.558 ( 1.495 1.686 -1.267) 2.585 22.568 ( 1.885 1.226 0.616) 2.331 22.752 ( -1.500 -1.176 0.414) 1.950 22.763 ( -0.910 -1.658 -0.334) 1.921 29.257 ( -0.105 -0.435 0.116) 0.462 29.262 ( 0.053 -0.430 -0.331) 0.545 29.275 ( -0.075 -0.834 0.059) 0.839 29.281 ( 0.088 -0.844 0.221) 0.877 32.907 ( -1.548 -0.016 -0.120) 1.553 32.971 ( -0.078 -2.728 2.118) 3.455 33.151 ( -3.144 -10.051 11.305) 15.450 33.324 ( 2.277 -19.380 -12.156) 22.990 35.958 ( -1.292 1.770 1.267) 2.531 35.987 ( -0.716 0.250 -0.969) 1.230 36.102 ( 1.421 -4.492 -1.418) 4.920 36.154 ( 2.574 -5.520 0.996) 6.171 39.588 ( -0.709 2.303 0.140) 2.414 39.646 ( 0.358 0.842 -0.588) 1.088 39.902 ( 7.564 6.751 0.987) 10.186 39.967 ( 9.838 4.593 -1.076) 10.910 40.286 ( 0.359 13.431 -2.666) 13.698 40.307 ( 1.417 12.650 3.213) 13.129 41.998 ( -18.613 15.891 -19.702) 31.419 42.039 ( -18.767 13.535 20.571) 30.961 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.484 9.258 2.941) 9.827 1.501 ( -1.812 8.756 1.328) 9.040 1.642 ( 3.488 10.058 -6.519) 12.483 1.691 ( 1.051 2.009 -2.234) 3.183 1.814 ( 3.076 7.290 6.603) 10.306 1.872 ( -2.427 1.184 1.700) 3.191 1.971 ( 5.781 0.478 -8.687) 10.446 2.071 ( 3.795 3.173 -1.308) 5.117 2.234 ( 3.941 0.554 1.434) 4.230 2.274 ( 6.325 -1.379 -0.017) 6.473 2.375 ( 8.344 5.729 0.104) 10.122 2.409 ( 7.038 -0.899 -2.055) 7.387 2.481 ( 7.853 0.931 -3.433) 8.622 2.675 ( 10.490 -2.518 -0.193) 10.790 2.782 ( -3.704 5.906 1.798) 7.200 2.897 ( 3.570 -3.818 -0.259) 5.233 3.022 ( -0.005 0.806 2.381) 2.514 3.101 ( 0.071 -0.862 3.018) 3.140 3.222 ( -8.148 4.593 5.171) 10.688 3.371 ( -4.225 3.106 -2.518) 5.817 3.406 ( -9.647 -3.565 1.310) 10.368 3.589 ( -2.422 -2.112 -1.141) 3.409 3.613 ( -5.144 1.297 1.090) 5.416 3.660 ( -3.110 -0.976 -1.340) 3.524 4.127 ( 0.433 4.579 -1.410) 4.811 4.229 ( -2.916 0.441 -0.577) 3.005 4.269 ( 1.693 -0.199 -0.011) 1.705 4.318 ( -0.101 -0.823 -0.482) 0.959 4.514 ( 2.982 -0.304 0.832) 3.111 4.608 ( -0.163 2.491 0.286) 2.513 4.739 ( -1.896 0.974 -0.767) 2.265 4.772 ( -5.226 2.439 1.254) 5.902 4.838 ( 2.438 -0.960 2.023) 3.310 4.878 ( 1.563 -1.703 -0.931) 2.492 4.946 ( 3.382 -3.155 -3.387) 5.732 5.048 ( -0.700 -0.699 1.676) 1.946 5.393 ( 4.272 2.450 -1.955) 5.298 5.425 ( 3.579 1.578 -0.514) 3.945 5.599 ( -2.206 0.973 -0.781) 2.535 5.615 ( -2.902 -0.697 2.014) 3.601 5.862 ( 4.389 0.385 3.379) 5.553 5.904 ( 2.471 3.129 -1.056) 4.124 5.993 ( 1.049 -0.505 -1.790) 2.135 6.013 ( -1.945 2.561 -0.666) 3.284 6.131 ( -1.985 3.039 2.949) 4.677 6.206 ( -4.570 3.401 -1.296) 5.843 6.239 ( -0.933 2.037 1.016) 2.460 6.273 ( -1.380 1.688 -2.184) 3.086 6.571 ( -0.379 4.710 1.938) 5.107 6.597 ( -0.137 2.578 -2.253) 3.427 6.784 ( 2.028 -0.453 -5.473) 5.854 6.805 ( -0.553 3.963 3.818) 5.530 6.954 ( 13.646 4.043 -2.324) 14.421 7.190 ( 0.152 4.049 6.455) 7.622 7.308 ( 5.395 1.125 -2.263) 5.957 7.499 ( -9.030 1.877 0.375) 9.230 7.580 ( 3.137 3.097 0.297) 4.418 7.967 ( -2.691 -5.122 2.488) 6.298 8.161 ( -3.717 -0.003 1.257) 3.924 8.370 ( -5.786 -3.409 -3.621) 7.629 12.149 ( 0.267 0.281 0.835) 0.921 12.202 ( -1.612 1.483 -1.746) 2.801 12.458 ( 3.854 -6.287 -3.065) 7.986 12.516 ( 1.767 -5.587 -1.695) 6.100 12.784 ( -0.189 2.661 1.502) 3.061 12.882 ( -4.304 1.747 1.467) 4.871 12.984 ( 3.199 -1.253 -1.002) 3.579 13.079 ( -1.154 -1.099 3.168) 3.547 17.494 ( 0.655 0.860 1.555) 1.894 17.539 ( -1.204 0.460 -0.501) 1.382 17.584 ( 2.052 -1.187 -1.314) 2.710 17.662 ( -1.091 -2.658 0.722) 2.962 18.421 ( 0.530 1.438 -0.189) 1.544 18.455 ( -0.890 0.613 0.533) 1.205 18.459 ( 0.920 0.426 0.049) 1.015 18.491 ( -0.439 0.018 -0.019) 0.440 20.845 ( 0.176 -0.281 0.306) 0.451 20.866 ( -0.514 -1.081 -0.465) 1.284 21.139 ( 0.172 -0.563 0.292) 0.657 21.151 ( -0.226 -0.949 -0.364) 1.042 21.377 ( 3.367 -0.326 -0.094) 3.384 21.399 ( 3.473 -1.362 0.234) 3.738 21.546 ( -2.508 -0.754 0.085) 2.620 21.571 ( -2.459 -1.857 -0.032) 3.082 22.599 ( 2.583 1.098 -1.342) 3.110 22.618 ( 2.940 0.294 0.605) 3.016 22.712 ( -2.476 -0.447 0.470) 2.560 22.733 ( -2.055 -1.334 -0.249) 2.462 29.256 ( 0.002 -0.357 0.005) 0.357 29.260 ( -0.149 -0.346 -0.154) 0.407 29.276 ( 0.145 -0.829 0.009) 0.842 29.281 ( -0.049 -0.837 0.207) 0.864 32.887 ( -0.310 -0.281 -2.060) 2.102 32.935 ( -2.850 -2.673 6.603) 7.673 33.165 ( 3.051 -8.407 4.496) 10.010 33.316 ( -2.158 -17.200 -7.988) 19.087 35.944 ( -0.142 2.002 0.958) 2.224 35.968 ( -0.952 0.699 -0.845) 1.452 36.141 ( 2.281 -5.825 -0.887) 6.318 36.189 ( 0.649 -7.019 0.631) 7.078 39.622 ( 3.874 4.064 0.383) 5.628 39.686 ( 3.291 2.491 -0.729) 4.191 39.951 ( -2.876 11.096 0.479) 11.472 40.022 ( -4.298 9.613 -0.735) 10.555 40.485 ( 20.209 9.918 -3.548) 22.790 40.495 ( 18.007 10.090 4.168) 21.058 41.515 ( -27.138 16.617 -13.026) 34.384 41.562 ( -28.723 14.212 13.776) 34.882 ======================= Grid point 145 (66/70) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.220 9.012 -4.106) 10.149 1.457 ( 2.220 9.012 4.106) 10.149 1.688 ( -0.246 7.269 -2.938) 7.844 1.688 ( 0.246 7.269 2.938) 7.844 1.848 ( 0.085 5.851 -4.540) 7.406 1.848 ( -0.085 5.851 4.540) 7.406 2.067 ( 3.075 -1.115 -6.973) 7.702 2.067 ( -3.075 -1.115 6.973) 7.702 2.313 ( -2.263 7.413 -1.056) 7.823 2.313 ( 2.263 7.413 1.056) 7.823 2.485 ( -2.028 2.621 -4.734) 5.778 2.485 ( 2.028 2.621 4.734) 5.778 2.659 ( 3.303 -0.363 -5.997) 6.856 2.659 ( -3.303 -0.363 5.997) 6.856 2.883 ( -7.526 1.572 -4.702) 9.012 2.883 ( 7.526 1.572 4.702) 9.012 3.025 ( -5.578 -7.837 -0.356) 9.626 3.025 ( 5.578 -7.837 0.356) 9.626 3.208 ( -6.879 -1.708 -2.380) 7.476 3.208 ( 6.879 -1.708 2.380) 7.476 3.450 ( -5.739 1.921 0.169) 6.054 3.450 ( 5.739 1.921 -0.169) 6.054 3.602 ( -2.263 0.747 -1.900) 3.048 3.602 ( 2.263 0.747 1.900) 3.048 4.163 ( 0.987 3.238 -0.707) 3.458 4.163 ( -0.987 3.238 0.707) 3.458 4.301 ( -1.295 -0.935 -0.103) 1.601 4.301 ( 1.295 -0.935 0.103) 1.601 4.594 ( -2.850 -2.723 0.522) 3.976 4.594 ( 2.850 -2.723 -0.522) 3.976 4.701 ( 0.104 5.840 -2.720) 6.443 4.701 ( -0.104 5.840 2.720) 6.443 4.883 ( -0.225 -2.024 -4.561) 4.995 4.883 ( 0.225 -2.024 4.561) 4.995 5.010 ( 2.762 -1.777 -2.837) 4.340 5.010 ( -2.762 -1.777 2.837) 4.340 5.463 ( 0.370 1.553 -2.099) 2.637 5.463 ( -0.370 1.553 2.099) 2.637 5.568 ( 1.055 0.583 -4.068) 4.243 5.568 ( -1.055 0.583 4.068) 4.243 5.952 ( -3.197 2.870 -0.944) 4.399 5.952 ( 3.197 2.870 0.944) 4.399 5.969 ( -4.354 0.015 -1.351) 4.559 5.969 ( 4.354 0.015 1.351) 4.559 6.127 ( -1.562 5.210 -0.519) 5.464 6.127 ( 1.562 5.210 0.519) 5.464 6.247 ( -0.545 0.492 -1.646) 1.802 6.247 ( 0.545 0.492 1.646) 1.802 6.580 ( -0.421 4.585 -3.433) 5.743 6.580 ( 0.421 4.585 3.433) 5.743 6.800 ( 0.270 2.294 -3.962) 4.586 6.800 ( -0.270 2.294 3.962) 4.586 7.180 ( 4.536 -0.669 -4.116) 6.162 7.180 ( -4.536 -0.669 4.116) 6.162 7.345 ( -0.664 6.367 -5.974) 8.756 7.345 ( 0.664 6.367 5.974) 8.756 7.766 ( -1.993 0.222 -5.697) 6.039 7.766 ( 1.993 0.222 5.697) 6.039 8.233 ( -6.195 -5.085 -4.806) 9.346 8.233 ( 6.195 -5.085 4.806) 9.346 12.169 ( -1.312 1.297 -1.697) 2.507 12.169 ( 1.312 1.297 1.697) 2.507 12.516 ( 0.764 -6.052 -2.078) 6.444 12.516 ( -0.764 -6.052 2.078) 6.444 12.810 ( -2.479 2.251 0.587) 3.400 12.810 ( 2.479 2.251 -0.587) 3.400 13.042 ( 1.392 -1.731 -3.556) 4.193 13.042 ( -1.392 -1.731 3.556) 4.193 17.514 ( -1.129 0.844 -1.177) 1.836 17.514 ( 1.129 0.844 1.177) 1.836 17.628 ( 1.808 -2.021 -1.246) 2.985 17.628 ( -1.808 -2.021 1.246) 2.985 18.436 ( 0.182 1.071 -1.352) 1.735 18.436 ( -0.182 1.071 1.352) 1.735 18.478 ( -0.041 0.234 -1.354) 1.375 18.478 ( 0.041 0.234 1.354) 1.375 20.854 ( -0.525 -0.715 -0.650) 1.100 20.854 ( 0.525 -0.715 0.650) 1.100 21.145 ( -0.223 -0.808 -0.584) 1.021 21.145 ( 0.223 -0.808 0.584) 1.021 21.433 ( -0.814 -0.914 -0.182) 1.238 21.433 ( 0.814 -0.914 0.182) 1.238 21.524 ( -1.188 -1.446 -0.378) 1.909 21.524 ( 1.188 -1.446 0.378) 1.909 22.652 ( 0.526 0.214 -1.100) 1.238 22.652 ( -0.526 0.214 1.100) 1.238 22.685 ( -1.371 -0.517 -1.083) 1.822 22.685 ( 1.371 -0.517 1.083) 1.822 29.257 ( -0.072 -0.312 -0.045) 0.324 29.257 ( 0.072 -0.312 0.045) 0.324 29.279 ( 0.044 -0.828 -0.328) 0.892 29.279 ( -0.044 -0.828 0.328) 0.892 32.895 ( 1.362 -1.043 -5.021) 5.306 32.895 ( -1.362 -1.043 5.021) 5.306 33.244 ( -3.813 -12.434 -5.305) 14.046 33.244 ( 3.813 -12.434 5.305) 14.046 35.951 ( -0.493 1.407 -1.104) 1.855 35.951 ( 0.493 1.407 1.104) 1.855 36.180 ( 0.192 -6.964 -4.018) 8.043 36.180 ( -0.192 -6.964 4.018) 8.043 39.709 ( -2.634 5.494 -0.888) 6.157 39.709 ( 2.634 5.494 0.888) 6.157 39.923 ( -2.822 8.739 -0.296) 9.188 39.923 ( 2.822 8.739 0.296) 9.188 40.915 ( -4.724 14.107 -7.203) 16.529 40.915 ( 4.724 14.107 7.203) 16.529 41.028 ( 5.959 12.466 -8.967) 16.472 41.028 ( -5.959 12.466 8.967) 16.472 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.858 2.543 -0.544) 2.738 1.549 ( 0.858 2.543 0.544) 2.738 1.708 ( 1.068 3.159 -2.320) 4.062 1.708 ( -1.068 3.159 2.320) 4.062 1.758 ( 1.276 2.588 -2.590) 3.877 1.758 ( -1.276 2.588 2.590) 3.877 1.927 ( -2.758 -2.342 -2.167) 4.218 1.927 ( 2.758 -2.342 2.167) 4.218 2.038 ( -2.666 -4.077 -5.226) 7.144 2.038 ( 2.666 -4.077 5.226) 7.144 2.167 ( -1.989 -1.445 -1.096) 2.691 2.167 ( 1.989 -1.445 1.096) 2.691 2.296 ( 0.559 1.209 -4.732) 4.916 2.296 ( -0.559 1.209 4.732) 4.916 2.946 ( -1.358 1.621 -1.613) 2.660 2.946 ( 1.358 1.621 1.613) 2.660 3.082 ( -1.383 1.857 -2.403) 3.337 3.082 ( 1.383 1.857 2.403) 3.337 3.516 ( -0.676 -4.581 -2.177) 5.117 3.516 ( 0.676 -4.581 2.177) 5.117 3.667 ( -0.651 2.618 -2.379) 3.597 3.667 ( 0.651 2.618 2.379) 3.597 3.711 ( 1.138 1.525 -2.245) 2.943 3.711 ( -1.138 1.525 2.245) 2.943 4.217 ( -0.450 0.051 -0.454) 0.641 4.217 ( 0.450 0.051 0.454) 0.641 4.313 ( 0.855 2.184 -0.867) 2.500 4.313 ( -0.855 2.184 0.867) 2.500 4.643 ( -2.048 3.967 -0.632) 4.509 4.643 ( 2.048 3.967 0.632) 4.509 4.718 ( -1.800 -1.595 -2.418) 3.411 4.718 ( 1.800 -1.595 2.418) 3.411 4.798 ( 0.307 -1.350 -1.293) 1.894 4.798 ( -0.307 -1.350 1.293) 1.894 5.002 ( -1.249 -0.205 -0.493) 1.359 5.002 ( 1.249 -0.205 0.493) 1.359 5.356 ( -0.163 1.312 -1.351) 1.890 5.356 ( 0.163 1.312 1.351) 1.890 5.649 ( -0.046 -0.079 -0.923) 0.928 5.649 ( 0.046 -0.079 0.923) 0.928 5.846 ( 0.608 1.556 -1.598) 2.312 5.846 ( -0.608 1.556 1.598) 2.312 6.085 ( -5.761 1.030 -3.132) 6.637 6.085 ( 5.761 1.030 3.132) 6.637 6.158 ( -5.277 -0.821 -1.844) 5.650 6.158 ( 5.277 -0.821 1.844) 5.650 6.270 ( 0.056 -1.240 -1.594) 2.020 6.270 ( -0.056 -1.240 1.594) 2.020 6.628 ( -0.417 2.715 -1.790) 3.279 6.628 ( 0.417 2.715 1.790) 3.279 6.732 ( -2.066 -0.309 -0.545) 2.159 6.732 ( 2.066 -0.309 0.545) 2.159 6.974 ( 1.119 0.989 -2.619) 3.015 6.974 ( -1.119 0.989 2.619) 3.015 7.441 ( 2.513 -0.005 -3.859) 4.606 7.441 ( -2.513 -0.005 3.859) 4.606 7.853 ( -0.097 1.310 -4.628) 4.811 7.853 ( 0.097 1.310 4.628) 4.811 8.432 ( -0.575 -0.131 -2.186) 2.264 8.432 ( 0.575 -0.131 2.186) 2.264 12.197 ( -0.121 0.499 -1.503) 1.589 12.197 ( 0.121 0.499 1.503) 1.589 12.316 ( -0.380 -2.675 -0.748) 2.804 12.316 ( 0.380 -2.675 0.748) 2.804 12.897 ( -0.116 1.249 -0.258) 1.281 12.897 ( 0.116 1.249 0.258) 1.281 13.043 ( -1.327 -0.162 -0.418) 1.401 13.043 ( 1.327 -0.162 0.418) 1.401 17.510 ( 0.457 0.220 -0.798) 0.945 17.510 ( -0.457 0.220 0.798) 0.945 17.602 ( -0.176 -0.721 -0.287) 0.796 17.602 ( 0.176 -0.721 0.287) 0.796 18.435 ( -0.030 0.199 -0.565) 0.600 18.435 ( 0.030 0.199 0.565) 0.600 18.492 ( -0.282 0.243 -0.087) 0.382 18.492 ( 0.282 0.243 0.087) 0.382 20.859 ( -0.185 -0.196 -0.065) 0.277 20.859 ( 0.185 -0.196 0.065) 0.277 21.141 ( -0.089 -0.218 -0.032) 0.237 21.141 ( 0.089 -0.218 0.032) 0.237 21.292 ( -0.135 -0.043 -0.018) 0.143 21.292 ( 0.135 -0.043 0.018) 0.143 21.596 ( -0.136 -0.502 -0.019) 0.520 21.596 ( 0.136 -0.502 0.019) 0.520 22.588 ( -0.012 1.755 -1.275) 2.169 22.588 ( 0.012 1.755 1.275) 2.169 22.733 ( 0.040 -1.532 -0.545) 1.627 22.733 ( -0.040 -1.532 0.545) 1.627 29.255 ( 0.123 0.028 -0.219) 0.252 29.255 ( -0.123 0.028 0.219) 0.252 29.264 ( -0.091 -0.466 -0.007) 0.475 29.264 ( 0.091 -0.466 0.007) 0.475 32.943 ( -0.870 0.908 -1.840) 2.229 32.943 ( 0.870 0.908 1.840) 2.229 33.015 ( 1.458 -6.778 -6.836) 9.737 33.015 ( -1.458 -6.778 6.836) 9.737 35.997 ( 0.295 0.519 -1.239) 1.375 35.997 ( -0.295 0.519 1.239) 1.375 36.048 ( -0.378 -1.618 -2.110) 2.685 36.048 ( 0.378 -1.618 2.110) 2.685 39.662 ( -0.363 0.656 -0.714) 1.036 39.662 ( 0.363 0.656 0.714) 1.036 39.838 ( -0.249 0.542 -0.691) 0.913 39.838 ( 0.249 0.542 0.691) 0.913 40.529 ( -0.095 6.038 -1.448) 6.210 40.529 ( 0.095 6.038 1.448) 6.210 42.381 ( 0.001 3.765 -7.989) 8.832 42.381 ( -0.001 3.765 7.989) 8.832 ======================= Grid point 151 (68/70) ======================= q-point: ( 0.17 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 1.185 4.046 -1.261) 4.401 1.589 ( 3.972 -1.070 -2.109) 4.623 1.699 ( -0.896 7.634 -0.661) 7.715 1.750 ( 3.841 5.953 -4.691) 8.497 1.812 ( 3.547 -1.165 1.930) 4.203 1.842 ( 4.518 -1.689 -5.698) 7.465 1.923 ( 2.188 3.309 2.386) 4.629 2.026 ( 5.408 2.987 -3.972) 7.344 2.052 ( 5.980 -6.793 6.604) 11.204 2.105 ( 4.522 -5.577 4.335) 8.387 2.212 ( 7.080 2.086 -4.361) 8.573 2.265 ( 7.438 -1.841 -1.170) 7.751 2.364 ( 6.904 0.769 -2.730) 7.464 2.380 ( 8.640 -1.383 2.532) 9.109 2.912 ( -1.811 3.891 1.131) 4.439 2.979 ( 0.775 -2.152 2.536) 3.415 3.011 ( -4.724 5.054 -1.767) 7.140 3.086 ( -1.436 -1.701 1.983) 2.981 3.422 ( -8.082 -2.397 -0.570) 8.449 3.477 ( -5.539 -5.908 0.477) 8.113 3.594 ( -5.636 4.961 1.209) 7.605 3.644 ( -3.467 -1.501 2.377) 4.463 3.663 ( -2.780 3.755 0.193) 4.676 3.718 ( -1.716 -0.341 -0.684) 1.878 4.218 ( 0.500 1.234 0.009) 1.332 4.235 ( 0.902 -0.880 0.170) 1.271 4.270 ( -2.544 3.056 0.225) 3.983 4.311 ( -0.341 -0.122 -1.761) 1.798 4.582 ( -2.753 5.219 0.276) 5.907 4.666 ( -3.182 -1.573 -2.664) 4.438 4.714 ( 3.264 1.060 0.686) 3.500 4.756 ( 2.179 -1.087 1.505) 2.863 4.802 ( 0.818 -1.130 0.411) 1.454 4.822 ( 1.760 -2.049 -1.428) 3.055 4.967 ( -1.612 3.362 0.105) 3.730 5.026 ( 0.559 -1.950 0.666) 2.135 5.380 ( 2.536 1.771 -2.021) 3.696 5.387 ( 2.625 0.937 0.682) 2.869 5.636 ( -1.153 -0.251 -0.045) 1.180 5.638 ( -1.119 -0.235 1.354) 1.772 5.846 ( 0.919 2.878 1.419) 3.338 5.877 ( 2.210 -0.045 -0.718) 2.324 5.985 ( -2.447 0.579 -3.058) 3.959 6.040 ( -3.894 -4.176 -1.695) 5.956 6.182 ( 1.027 2.642 1.149) 3.059 6.236 ( 0.581 -2.206 0.993) 2.488 6.297 ( 3.742 2.995 -0.765) 4.854 6.328 ( 2.333 -0.143 1.043) 2.560 6.615 ( 0.590 2.572 -0.477) 2.681 6.642 ( -1.856 0.059 0.213) 1.870 6.736 ( 4.189 2.637 -1.734) 5.245 6.780 ( 3.275 -0.666 -0.264) 3.352 6.955 ( 0.323 4.681 2.304) 5.227 7.041 ( 4.863 -4.252 0.309) 6.467 7.403 ( -1.073 4.820 3.374) 5.981 7.482 ( 1.542 -3.387 -2.347) 4.400 7.778 ( -4.840 4.982 1.145) 7.039 7.863 ( -0.766 -3.135 0.926) 3.357 8.356 ( -6.059 2.638 -0.981) 6.681 8.412 ( -3.542 -2.478 -0.368) 4.338 12.181 ( 0.223 2.832 -0.451) 2.877 12.249 ( 3.297 -0.896 -1.513) 3.736 12.291 ( -0.736 -1.127 -1.779) 2.231 12.358 ( 2.346 -4.819 -2.351) 5.853 12.865 ( -1.774 2.634 1.827) 3.664 12.908 ( -0.177 -1.464 1.102) 1.841 13.009 ( -1.850 2.430 0.945) 3.198 13.056 ( -0.225 -1.999 1.753) 2.668 17.507 ( 0.201 0.987 0.798) 1.285 17.524 ( 0.973 -0.619 -0.763) 1.383 17.585 ( -0.794 0.726 -0.195) 1.093 17.614 ( 0.294 -2.085 -0.172) 2.112 18.435 ( 0.223 0.569 0.082) 0.616 18.444 ( 0.583 -0.227 0.030) 0.626 18.484 ( -0.497 0.743 0.023) 0.894 18.494 ( -0.073 -0.184 0.282) 0.345 20.850 ( -0.483 0.161 -0.014) 0.509 20.857 ( -0.292 -0.534 -0.020) 0.609 21.135 ( -0.269 -0.013 0.024) 0.270 21.140 ( -0.172 -0.453 -0.058) 0.488 21.317 ( 2.419 0.135 0.029) 2.423 21.322 ( 2.583 -0.327 0.027) 2.604 21.579 ( -1.560 -0.222 -0.006) 1.576 21.584 ( -1.346 -0.731 0.018) 1.532 22.597 ( 1.013 1.635 -1.201) 2.268 22.600 ( 1.101 1.366 0.817) 1.935 22.724 ( -0.832 -1.171 0.306) 1.469 22.727 ( -0.647 -1.473 -0.129) 1.614 29.253 ( -0.118 0.022 0.118) 0.168 29.256 ( -0.073 -0.229 -0.122) 0.269 29.263 ( 0.094 -0.184 -0.010) 0.207 29.267 ( 0.141 -0.471 0.030) 0.492 32.911 ( -1.492 0.944 -0.770) 1.926 32.943 ( -1.416 -0.424 1.812) 2.338 33.007 ( 0.881 -3.975 3.809) 5.575 33.049 ( 1.594 -7.822 -4.671) 9.249 35.990 ( -0.232 1.300 0.792) 1.540 36.005 ( 0.125 1.332 -0.748) 1.533 36.035 ( -0.031 -1.851 -0.742) 1.995 36.067 ( 0.756 -3.341 0.552) 3.470 39.628 ( 0.189 1.609 -0.160) 1.628 39.650 ( 0.566 -0.470 -0.470) 0.873 39.996 ( 12.402 2.740 0.697) 12.721 40.017 ( 13.206 0.618 -0.233) 13.222 40.490 ( -2.317 5.737 -1.196) 6.301 40.496 ( -1.947 5.061 1.362) 5.591 42.196 ( -17.391 4.677 -6.864) 19.272 42.206 ( -17.557 3.639 7.194) 19.320 ======================= Grid point 152 (69/70) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 2.754 6.762 -0.736) 7.338 1.653 ( 0.363 2.834 -1.745) 3.348 1.710 ( 3.278 3.748 -1.362) 5.162 1.812 ( 0.965 2.560 -4.173) 4.990 1.857 ( 2.524 -1.157 -4.522) 5.307 1.902 ( 2.176 -0.018 -0.448) 2.222 1.970 ( 2.573 2.842 -1.340) 4.061 2.075 ( -1.941 -4.602 11.037) 12.114 2.240 ( 13.685 3.991 -0.911) 14.284 2.292 ( 12.738 0.267 -2.316) 12.950 2.430 ( 13.220 3.598 -5.203) 14.655 2.466 ( 11.333 1.881 -0.193) 11.490 2.526 ( 7.395 1.768 0.113) 7.605 2.603 ( 12.631 -4.806 -0.543) 13.525 2.846 ( -6.256 1.855 2.502) 6.988 2.905 ( -5.726 4.452 1.402) 7.387 2.939 ( -5.395 -4.553 2.120) 7.371 3.068 ( -1.101 -7.721 4.675) 9.093 3.223 ( -9.433 3.865 -1.906) 10.371 3.327 ( -8.177 -4.719 -1.221) 9.520 3.464 ( -6.263 5.364 0.772) 8.282 3.555 ( -5.613 -3.329 0.602) 6.554 3.600 ( -3.136 0.554 0.817) 3.288 3.642 ( -5.030 -2.703 0.426) 5.726 4.224 ( -0.273 3.213 -0.092) 3.226 4.229 ( -0.201 0.216 -0.163) 0.337 4.266 ( 1.221 0.551 -0.128) 1.345 4.308 ( -0.179 -1.028 -1.305) 1.671 4.542 ( -0.978 2.787 0.125) 2.957 4.598 ( -3.067 -2.422 -1.184) 4.084 4.767 ( 2.073 1.662 1.506) 3.054 4.800 ( 1.605 -0.537 1.090) 2.013 4.822 ( 1.022 -0.817 0.533) 1.413 4.845 ( 0.192 -0.939 -1.160) 1.504 4.956 ( 0.922 3.815 -0.878) 4.022 5.024 ( -0.856 -2.259 0.305) 2.435 5.442 ( 3.451 1.722 -2.406) 4.546 5.450 ( 3.316 0.774 0.339) 3.422 5.605 ( -1.780 0.230 1.406) 2.280 5.613 ( -1.487 -0.038 0.559) 1.589 5.887 ( 3.113 2.324 1.727) 4.251 5.929 ( 2.797 -0.742 -0.020) 2.894 5.974 ( 0.598 -0.628 -3.044) 3.165 5.995 ( -0.876 -2.677 -1.829) 3.358 6.180 ( -0.325 2.711 1.498) 3.114 6.230 ( -1.260 -1.512 -0.614) 2.062 6.306 ( -2.975 2.636 0.673) 4.031 6.312 ( -2.545 1.867 -0.247) 3.167 6.624 ( 0.753 0.774 -0.914) 1.414 6.627 ( 0.218 0.810 0.949) 1.266 6.803 ( 2.061 2.195 -1.460) 3.346 6.840 ( 0.501 -0.601 1.360) 1.569 7.041 ( 8.296 4.965 -1.554) 9.792 7.146 ( 4.357 -5.018 0.069) 6.646 7.414 ( 1.422 5.243 1.476) 5.630 7.483 ( -1.770 -1.963 0.363) 2.668 7.712 ( 0.210 7.779 1.803) 7.988 7.861 ( 0.945 -6.291 3.253) 7.145 8.206 ( -8.045 4.230 -1.379) 9.193 8.298 ( -7.545 -4.166 -1.734) 8.791 12.201 ( 1.676 4.564 -0.378) 4.877 12.268 ( -1.003 4.321 -2.146) 4.928 12.324 ( 3.554 -6.011 -1.675) 7.181 12.392 ( 0.896 -6.332 -2.117) 6.736 12.841 ( -0.430 2.877 1.479) 3.263 12.891 ( -1.632 -1.512 1.245) 2.550 12.985 ( -0.242 1.898 0.943) 2.133 13.037 ( -1.670 -2.689 2.143) 3.822 17.519 ( 0.843 1.427 0.702) 1.800 17.544 ( 0.820 -0.703 -0.703) 1.289 17.571 ( -0.305 0.783 -0.598) 1.032 17.609 ( -0.807 -2.498 0.297) 2.641 18.443 ( 0.548 0.799 0.163) 0.982 18.456 ( 0.558 -0.464 -0.161) 0.744 18.474 ( -0.388 1.015 -0.058) 1.088 18.489 ( -0.465 -0.394 0.442) 0.752 20.844 ( -0.110 0.134 0.075) 0.189 20.851 ( -0.317 -0.520 -0.106) 0.618 21.132 ( -0.037 -0.085 0.062) 0.111 21.136 ( -0.166 -0.461 -0.095) 0.499 21.376 ( 3.180 0.134 0.016) 3.183 21.382 ( 3.187 -0.522 0.035) 3.229 21.538 ( -2.399 -0.023 0.019) 2.399 21.545 ( -2.400 -0.791 -0.007) 2.527 22.624 ( 1.725 1.114 -1.017) 2.292 22.631 ( 1.809 0.547 0.489) 1.952 22.701 ( -1.505 -0.434 0.465) 1.634 22.707 ( -1.360 -1.053 -0.132) 1.725 29.251 ( -0.022 -0.057 0.030) 0.068 29.254 ( -0.131 -0.279 -0.000) 0.308 29.266 ( 0.160 -0.118 -0.075) 0.212 29.269 ( 0.033 -0.374 0.060) 0.380 32.890 ( -0.526 1.003 -0.591) 1.278 32.912 ( -1.512 -0.285 1.535) 2.173 33.034 ( 1.310 -3.835 2.950) 5.013 33.065 ( 0.311 -7.271 -3.722) 8.174 35.989 ( 0.045 2.164 0.792) 2.305 35.999 ( -0.390 2.781 -0.798) 2.919 36.046 ( 0.995 -3.654 -0.652) 3.843 36.075 ( -0.074 -4.553 0.510) 4.582 39.690 ( 5.540 2.414 -0.042) 6.043 39.714 ( 5.351 0.118 -0.414) 5.368 40.119 ( -2.965 5.139 0.346) 5.943 40.147 ( -3.538 2.477 -0.309) 4.330 40.627 ( 19.969 3.918 -1.314) 20.392 40.634 ( 19.112 3.333 1.769) 19.481 41.730 ( -27.837 5.236 -4.800) 28.729 41.741 ( -28.291 3.990 5.082) 29.019 ======================= Grid point 153 (70/70) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.058 7.454 -2.254) 7.787 1.633 ( 0.058 7.453 2.254) 7.787 1.780 ( -1.702 -0.305 -0.220) 1.743 1.780 ( 1.702 -0.305 0.220) 1.743 1.908 ( 1.780 2.013 -7.281) 7.761 1.908 ( -1.780 2.013 7.281) 7.761 2.026 ( 3.340 -2.401 -9.903) 10.724 2.026 ( -3.340 -2.401 9.903) 10.724 2.472 ( -3.148 9.547 -6.212) 11.817 2.472 ( 3.148 9.547 6.212) 11.817 2.588 ( 1.615 3.087 -2.818) 4.481 2.588 ( -1.615 3.087 2.818) 4.481 2.657 ( 5.473 1.367 -7.084) 9.056 2.657 ( -5.473 1.367 7.084) 9.056 2.807 ( -2.252 -10.963 -2.664) 11.505 2.807 ( 2.252 -10.963 2.664) 11.505 2.913 ( -8.994 0.382 -1.704) 9.162 2.913 ( 8.994 0.382 1.704) 9.162 3.199 ( -4.013 0.363 -1.974) 4.487 3.199 ( 4.013 0.363 1.974) 4.487 3.436 ( 0.779 -2.015 -1.685) 2.740 3.436 ( -0.779 -2.015 1.685) 2.740 3.574 ( 0.210 -1.995 -1.175) 2.325 3.574 ( -0.210 -1.995 1.175) 2.325 4.225 ( 0.175 1.741 -1.153) 2.095 4.225 ( -0.175 1.741 1.153) 2.095 4.292 ( -1.147 0.215 -0.108) 1.172 4.292 ( 1.147 0.215 0.108) 1.172 4.550 ( -1.496 -0.925 -0.154) 1.766 4.550 ( 1.496 -0.925 0.154) 1.766 4.802 ( -0.732 1.589 -1.491) 2.299 4.802 ( 0.732 1.589 1.491) 2.299 4.838 ( -0.262 -0.140 -1.883) 1.906 4.838 ( 0.262 -0.140 1.883) 1.906 4.992 ( -2.122 -0.357 0.353) 2.180 4.992 ( 2.122 -0.357 -0.353) 2.180 5.489 ( 0.433 0.814 -1.672) 1.910 5.489 ( -0.433 0.814 1.672) 1.910 5.586 ( -0.118 0.815 -2.008) 2.170 5.586 ( 0.118 0.815 2.008) 2.170 5.956 ( -2.554 0.239 -2.592) 3.647 5.956 ( 2.554 0.239 2.592) 3.647 5.977 ( -0.707 -0.801 -1.968) 2.240 5.977 ( 0.707 -0.801 1.968) 2.240 6.193 ( -1.662 1.095 -0.650) 2.094 6.193 ( 1.662 1.095 0.650) 2.094 6.268 ( 0.404 1.427 -0.494) 1.563 6.268 ( -0.404 1.427 0.494) 1.563 6.635 ( -0.124 0.958 -1.320) 1.635 6.635 ( 0.124 0.958 1.320) 1.635 6.828 ( 0.834 0.901 -1.654) 2.060 6.828 ( -0.834 0.901 1.654) 2.060 7.169 ( 0.452 -0.262 -2.834) 2.881 7.169 ( -0.452 -0.262 2.834) 2.881 7.434 ( 0.518 1.934 -1.346) 2.412 7.434 ( -0.518 1.934 1.346) 2.412 7.820 ( -1.763 3.358 -3.563) 5.204 7.820 ( 1.763 3.358 3.563) 5.204 8.151 ( -2.846 -2.784 -3.430) 5.255 8.151 ( 2.846 -2.784 3.430) 5.255 12.238 ( -1.750 5.037 -0.962) 5.419 12.238 ( 1.750 5.037 0.962) 5.419 12.381 ( -0.996 -6.670 -0.692) 6.780 12.381 ( 0.996 -6.670 0.692) 6.780 12.855 ( -1.344 1.690 0.180) 2.166 12.855 ( 1.344 1.690 -0.180) 2.166 13.002 ( 0.556 -1.621 -1.384) 2.202 13.002 ( -0.556 -1.621 1.384) 2.202 17.538 ( -0.598 1.404 -1.199) 1.941 17.538 ( 0.598 1.404 1.199) 1.941 17.586 ( 0.369 -1.905 -1.127) 2.243 17.586 ( -0.369 -1.905 1.127) 2.243 18.455 ( -0.275 0.695 -0.472) 0.884 18.455 ( 0.275 0.695 0.472) 0.884 18.478 ( 0.264 -0.197 -0.630) 0.710 18.478 ( -0.264 -0.197 0.630) 0.710 20.845 ( -0.160 -0.206 -0.175) 0.314 20.845 ( 0.160 -0.206 0.175) 0.314 21.133 ( -0.074 -0.297 -0.154) 0.343 21.133 ( 0.074 -0.297 0.154) 0.343 21.422 ( -0.243 -0.235 -0.088) 0.349 21.422 ( 0.243 -0.235 0.088) 0.349 21.507 ( -0.316 -0.372 -0.124) 0.504 21.507 ( 0.316 -0.372 0.124) 0.504 22.656 ( 0.622 0.163 -0.639) 0.907 22.656 ( -0.622 0.163 0.639) 0.907 22.679 ( -0.546 -0.123 -0.506) 0.755 22.679 ( 0.546 -0.123 0.506) 0.755 29.252 ( -0.017 -0.170 -0.013) 0.172 29.252 ( 0.017 -0.170 0.013) 0.172 29.269 ( 0.037 -0.235 -0.127) 0.270 29.269 ( -0.037 -0.235 0.127) 0.270 32.891 ( 0.259 0.526 -2.806) 2.867 32.891 ( -0.259 0.526 2.806) 2.867 33.057 ( -0.773 -5.508 -3.049) 6.343 33.057 ( 0.773 -5.508 3.049) 6.343 35.992 ( -0.075 2.761 -1.780) 3.286 35.992 ( 0.075 2.761 1.780) 3.286 36.065 ( 0.181 -4.561 -2.637) 5.272 36.065 ( -0.181 -4.561 2.637) 5.272 39.788 ( -1.144 2.112 -0.212) 2.411 39.788 ( 1.144 2.112 0.212) 2.411 40.050 ( -1.226 3.402 -0.083) 3.617 40.050 ( 1.226 3.402 0.083) 3.617 41.101 ( -1.751 4.494 -2.500) 5.432 41.101 ( 1.751 4.494 2.500) 5.432 41.193 ( 2.377 4.010 -3.074) 5.584 41.193 ( -2.377 4.010 3.074) 5.584 =================== 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 3/23328 10.0 296.103 202.447 199.143 0.000 -48.060 0.000 3/23328 20.0 79.240 69.880 51.861 0.000 -13.419 0.000 3/23328 30.0 36.808 32.883 23.511 0.000 -6.103 0.000 3/23328 40.0 21.207 18.701 13.282 0.000 -3.454 0.000 3/23328 50.0 13.991 12.189 8.634 0.000 -2.241 0.000 3/23328 60.0 10.138 8.750 6.190 0.000 -1.602 0.000 3/23328 70.0 7.848 6.727 4.756 0.000 -1.228 0.000 3/23328 80.0 6.370 5.433 3.840 0.000 -0.989 0.000 3/23328 90.0 5.353 4.548 3.215 0.000 -0.827 0.000 3/23328 100.0 4.616 3.910 2.765 0.000 -0.710 0.000 3/23328 110.0 4.059 3.431 2.428 0.000 -0.623 0.000 3/23328 120.0 3.625 3.059 2.165 0.000 -0.556 0.000 3/23328 130.0 3.277 2.761 1.956 0.000 -0.502 0.000 3/23328 140.0 2.992 2.518 1.785 0.000 -0.458 0.000 3/23328 150.0 2.754 2.316 1.643 0.000 -0.421 0.000 3/23328 160.0 2.553 2.146 1.522 0.000 -0.390 0.000 3/23328 170.0 2.380 1.999 1.419 0.000 -0.364 0.000 3/23328 180.0 2.230 1.873 1.330 0.000 -0.341 0.000 3/23328 190.0 2.098 1.762 1.252 0.000 -0.321 0.000 3/23328 200.0 1.982 1.664 1.183 0.000 -0.303 0.000 3/23328 210.0 1.879 1.577 1.122 0.000 -0.287 0.000 3/23328 220.0 1.786 1.499 1.067 0.000 -0.273 0.000 3/23328 230.0 1.703 1.429 1.018 0.000 -0.260 0.000 3/23328 240.0 1.627 1.366 0.973 0.000 -0.249 0.000 3/23328 250.0 1.558 1.309 0.932 0.000 -0.238 0.000 3/23328 260.0 1.496 1.257 0.895 0.000 -0.229 0.000 3/23328 270.0 1.438 1.209 0.862 0.000 -0.220 0.000 3/23328 280.0 1.385 1.165 0.830 0.000 -0.212 0.000 3/23328 290.0 1.336 1.124 0.802 0.000 -0.204 0.000 3/23328 300.0 1.290 1.087 0.775 0.000 -0.197 0.000 3/23328 310.0 1.248 1.052 0.750 0.000 -0.191 0.000 3/23328 320.0 1.209 1.020 0.727 0.000 -0.185 0.000 3/23328 330.0 1.172 0.990 0.706 0.000 -0.179 0.000 3/23328 340.0 1.138 0.962 0.686 0.000 -0.174 0.000 3/23328 350.0 1.106 0.936 0.667 0.000 -0.169 0.000 3/23328 360.0 1.076 0.911 0.649 0.000 -0.165 0.000 3/23328 370.0 1.047 0.888 0.633 0.000 -0.160 0.000 3/23328 380.0 1.020 0.866 0.617 0.000 -0.156 0.000 3/23328 390.0 0.995 0.846 0.602 0.000 -0.152 0.000 3/23328 400.0 0.971 0.827 0.588 0.000 -0.148 0.000 3/23328 410.0 0.948 0.808 0.575 0.000 -0.145 0.000 3/23328 420.0 0.927 0.791 0.562 0.000 -0.142 0.000 3/23328 430.0 0.906 0.774 0.550 0.000 -0.138 0.000 3/23328 440.0 0.887 0.759 0.538 0.000 -0.135 0.000 3/23328 450.0 0.868 0.744 0.528 0.000 -0.132 0.000 3/23328 460.0 0.850 0.729 0.517 0.000 -0.130 0.000 3/23328 470.0 0.833 0.716 0.507 0.000 -0.127 0.000 3/23328 480.0 0.817 0.703 0.498 0.000 -0.124 0.000 3/23328 490.0 0.801 0.690 0.488 0.000 -0.122 0.000 3/23328 500.0 0.786 0.678 0.480 0.000 -0.120 0.000 3/23328 510.0 0.772 0.667 0.471 0.000 -0.117 0.000 3/23328 520.0 0.758 0.655 0.463 0.000 -0.115 0.000 3/23328 530.0 0.745 0.645 0.455 0.000 -0.113 0.000 3/23328 540.0 0.732 0.635 0.448 0.000 -0.111 0.000 3/23328 550.0 0.720 0.625 0.440 0.000 -0.109 0.000 3/23328 560.0 0.708 0.615 0.433 0.000 -0.107 0.000 3/23328 570.0 0.697 0.606 0.427 0.000 -0.105 0.000 3/23328 580.0 0.686 0.597 0.420 0.000 -0.104 0.000 3/23328 590.0 0.675 0.589 0.414 0.000 -0.102 0.000 3/23328 600.0 0.665 0.580 0.407 0.000 -0.100 0.000 3/23328 610.0 0.655 0.572 0.402 0.000 -0.099 0.000 3/23328 620.0 0.645 0.564 0.396 0.000 -0.097 0.000 3/23328 630.0 0.636 0.557 0.390 0.000 -0.096 0.000 3/23328 640.0 0.626 0.550 0.385 0.000 -0.094 0.000 3/23328 650.0 0.618 0.542 0.380 0.000 -0.093 0.000 3/23328 660.0 0.609 0.535 0.374 0.000 -0.092 0.000 3/23328 670.0 0.601 0.529 0.369 0.000 -0.090 0.000 3/23328 680.0 0.593 0.522 0.365 0.000 -0.089 0.000 3/23328 690.0 0.585 0.516 0.360 0.000 -0.088 0.000 3/23328 700.0 0.577 0.510 0.355 0.000 -0.087 0.000 3/23328 710.0 0.570 0.504 0.351 0.000 -0.085 0.000 3/23328 720.0 0.563 0.498 0.347 0.000 -0.084 0.000 3/23328 730.0 0.556 0.492 0.342 0.000 -0.083 0.000 3/23328 740.0 0.549 0.486 0.338 0.000 -0.082 0.000 3/23328 750.0 0.542 0.481 0.334 0.000 -0.081 0.000 3/23328 760.0 0.536 0.476 0.330 0.000 -0.080 0.000 3/23328 770.0 0.529 0.470 0.326 0.000 -0.079 0.000 3/23328 780.0 0.523 0.465 0.323 0.000 -0.078 0.000 3/23328 790.0 0.517 0.460 0.319 0.000 -0.077 0.000 3/23328 800.0 0.511 0.456 0.316 0.000 -0.076 0.000 3/23328 810.0 0.505 0.451 0.312 0.000 -0.075 0.000 3/23328 820.0 0.500 0.446 0.309 0.000 -0.074 0.000 3/23328 830.0 0.494 0.442 0.305 0.000 -0.074 0.000 3/23328 840.0 0.489 0.437 0.302 0.000 -0.073 0.000 3/23328 850.0 0.484 0.433 0.299 0.000 -0.072 0.000 3/23328 860.0 0.478 0.429 0.296 0.000 -0.071 0.000 3/23328 870.0 0.473 0.424 0.293 0.000 -0.070 0.000 3/23328 880.0 0.469 0.420 0.290 0.000 -0.070 0.000 3/23328 890.0 0.464 0.416 0.287 0.000 -0.069 0.000 3/23328 900.0 0.459 0.412 0.284 0.000 -0.068 0.000 3/23328 910.0 0.454 0.409 0.281 0.000 -0.067 0.000 3/23328 920.0 0.450 0.405 0.278 0.000 -0.067 0.000 3/23328 930.0 0.445 0.401 0.276 0.000 -0.066 0.000 3/23328 940.0 0.441 0.397 0.273 0.000 -0.065 0.000 3/23328 950.0 0.437 0.394 0.270 0.000 -0.065 0.000 3/23328 960.0 0.433 0.390 0.268 0.000 -0.064 0.000 3/23328 970.0 0.429 0.387 0.265 0.000 -0.063 0.000 3/23328 980.0 0.425 0.384 0.263 0.000 -0.063 0.000 3/23328 990.0 0.421 0.380 0.261 0.000 -0.062 0.000 3/23328 1000.0 0.417 0.377 0.258 0.000 -0.062 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m694.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:38:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|