----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:31:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.020601770000000 -7.106228604999999 0.000000000000000 b 2.020601770000000 7.106228604999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.726647830000001 Atomic positions (fractional): *1 Cu 0.91437939975772 0.08562060024228 0.02785716739853 63.546 2 Cu 0.08562060024228 0.91437939975772 0.97214283260147 63.546 3 Cu 0.08562060024228 0.91437939975772 0.52785716739853 63.546 4 Cu 0.91437939975772 0.08562060024228 0.47214283260147 63.546 *5 Cu 0.15795836773881 0.84204163226119 0.25000000000000 63.546 6 Cu 0.84204163226119 0.15795836773881 0.75000000000000 63.546 *7 Se 0.94103751379436 0.05896248620564 0.88249138023222 78.960 8 Se 0.05896248620564 0.94103751379436 0.11750861976778 78.960 9 Se 0.05896248620564 0.94103751379436 0.38249138023222 78.960 10 Se 0.94103751379436 0.05896248620564 0.61750861976778 78.960 *11 Se 0.25309137740582 0.74690862259418 0.75000000000000 78.960 12 Se 0.74690862259418 0.25309137740582 0.25000000000000 78.960 *13 Se 0.66573488395955 0.33426511604045 0.92784044050936 78.960 14 Se 0.33426511604045 0.66573488395955 0.07215955949064 78.960 15 Se 0.33426511604045 0.66573488395955 0.42784044050936 78.960 16 Se 0.66573488395955 0.33426511604045 0.57215955949064 78.960 *17 Rb 0.44027059922054 0.55972940077946 0.25000000000000 85.468 18 Rb 0.55972940077946 0.44027059922054 0.75000000000000 85.468 *19 Er 0.69253810757407 0.30746189242593 0.09224915869652 167.259 20 Er 0.30746189242593 0.69253810757407 0.90775084130348 167.259 21 Er 0.30746189242593 0.69253810757407 0.59224915869652 167.259 22 Er 0.69253810757407 0.30746189242593 0.40775084130348 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.041203540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.212457209999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.726647830000001 Atomic positions (fractional): *1 Cu 0.00000000000000 0.08562060024228 0.02785716739853 63.546 > 1 2 Cu 0.50000000000000 0.41437939975772 0.97214283260147 63.546 > 2 3 Cu 0.50000000000000 0.41437939975772 0.52785716739853 63.546 > 3 4 Cu 0.00000000000000 0.08562060024228 0.47214283260147 63.546 > 4 *5 Cu 0.50000000000000 0.34204163226119 0.25000000000000 63.546 > 5 6 Cu 0.00000000000000 0.15795836773881 0.75000000000000 63.546 > 6 7 Cu 0.50000000000000 0.58562060024228 0.02785716739853 63.546 > 1 8 Cu 0.00000000000000 0.91437939975772 0.97214283260147 63.546 > 2 9 Cu 0.00000000000000 0.91437939975772 0.52785716739853 63.546 > 3 10 Cu 0.50000000000000 0.58562060024228 0.47214283260147 63.546 > 4 11 Cu 0.00000000000000 0.84204163226119 0.25000000000000 63.546 > 5 12 Cu 0.50000000000000 0.65795836773881 0.75000000000000 63.546 > 6 *13 Se 0.00000000000000 0.05896248620564 0.88249138023222 78.960 > 7 14 Se 0.50000000000000 0.44103751379436 0.11750861976778 78.960 > 8 15 Se 0.50000000000000 0.44103751379436 0.38249138023222 78.960 > 9 16 Se 0.00000000000000 0.05896248620564 0.61750861976778 78.960 > 10 *17 Se 0.50000000000000 0.24690862259418 0.75000000000000 78.960 > 11 18 Se 0.00000000000000 0.25309137740582 0.25000000000000 78.960 > 12 *19 Se 0.00000000000000 0.33426511604045 0.92784044050936 78.960 > 13 20 Se 0.50000000000000 0.16573488395955 0.07215955949064 78.960 > 14 21 Se 0.50000000000000 0.16573488395955 0.42784044050936 78.960 > 15 22 Se 0.00000000000000 0.33426511604045 0.57215955949064 78.960 > 16 23 Se 0.50000000000000 0.55896248620564 0.88249138023222 78.960 > 7 24 Se 0.00000000000000 0.94103751379436 0.11750861976778 78.960 > 8 25 Se 0.00000000000000 0.94103751379436 0.38249138023222 78.960 > 9 26 Se 0.50000000000000 0.55896248620564 0.61750861976778 78.960 > 10 27 Se 0.00000000000000 0.74690862259418 0.75000000000000 78.960 > 11 28 Se 0.50000000000000 0.75309137740582 0.25000000000000 78.960 > 12 29 Se 0.50000000000000 0.83426511604045 0.92784044050936 78.960 > 13 30 Se 0.00000000000000 0.66573488395955 0.07215955949064 78.960 > 14 31 Se 0.00000000000000 0.66573488395955 0.42784044050936 78.960 > 15 32 Se 0.50000000000000 0.83426511604045 0.57215955949064 78.960 > 16 *33 Rb 0.50000000000000 0.05972940077946 0.25000000000000 85.468 > 17 34 Rb 0.00000000000000 0.44027059922054 0.75000000000000 85.468 > 18 35 Rb 0.00000000000000 0.55972940077946 0.25000000000000 85.468 > 17 36 Rb 0.50000000000000 0.94027059922054 0.75000000000000 85.468 > 18 *37 Er 0.00000000000000 0.30746189242593 0.09224915869652 167.259 > 19 38 Er 0.50000000000000 0.19253810757407 0.90775084130348 167.259 > 20 39 Er 0.50000000000000 0.19253810757407 0.59224915869652 167.259 > 21 40 Er 0.00000000000000 0.30746189242593 0.40775084130348 167.259 > 22 41 Er 0.50000000000000 0.80746189242593 0.09224915869652 167.259 > 19 42 Er 0.00000000000000 0.69253810757407 0.90775084130348 167.259 > 20 43 Er 0.00000000000000 0.69253810757407 0.59224915869652 167.259 > 21 44 Er 0.50000000000000 0.80746189242593 0.40775084130348 167.259 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.123610619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.212457209999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.726647830000001 Atomic positions (fractional): *1 Cu 0.00000000000000 0.08562060024228 0.02785716739853 63.546 > 1 2 Cu 0.33333333333333 0.08562060024228 0.02785716739853 63.546 > 1 3 Cu 0.66666666666667 0.08562060024228 0.02785716739853 63.546 > 1 4 Cu 0.16666666666667 0.41437939975772 0.97214283260147 63.546 > 2 5 Cu 0.50000000000000 0.41437939975772 0.97214283260147 63.546 > 2 6 Cu 0.83333333333333 0.41437939975772 0.97214283260147 63.546 > 2 7 Cu 0.16666666666667 0.41437939975772 0.52785716739853 63.546 > 3 8 Cu 0.50000000000000 0.41437939975772 0.52785716739853 63.546 > 3 9 Cu 0.83333333333333 0.41437939975772 0.52785716739853 63.546 > 3 10 Cu 0.00000000000000 0.08562060024228 0.47214283260147 63.546 > 4 11 Cu 0.33333333333333 0.08562060024228 0.47214283260147 63.546 > 4 12 Cu 0.66666666666667 0.08562060024228 0.47214283260147 63.546 > 4 *13 Cu 0.16666666666667 0.34204163226119 0.25000000000000 63.546 > 5 14 Cu 0.50000000000000 0.34204163226119 0.25000000000000 63.546 > 5 15 Cu 0.83333333333333 0.34204163226119 0.25000000000000 63.546 > 5 16 Cu 0.00000000000000 0.15795836773881 0.75000000000000 63.546 > 6 17 Cu 0.33333333333333 0.15795836773881 0.75000000000000 63.546 > 6 18 Cu 0.66666666666667 0.15795836773881 0.75000000000000 63.546 > 6 19 Cu 0.16666666666667 0.58562060024228 0.02785716739853 63.546 > 1 20 Cu 0.50000000000000 0.58562060024228 0.02785716739853 63.546 > 1 21 Cu 0.83333333333333 0.58562060024228 0.02785716739853 63.546 > 1 22 Cu 0.00000000000000 0.91437939975772 0.97214283260147 63.546 > 2 23 Cu 0.33333333333333 0.91437939975772 0.97214283260147 63.546 > 2 24 Cu 0.66666666666667 0.91437939975772 0.97214283260147 63.546 > 2 25 Cu 0.00000000000000 0.91437939975772 0.52785716739853 63.546 > 3 26 Cu 0.33333333333333 0.91437939975772 0.52785716739853 63.546 > 3 27 Cu 0.66666666666667 0.91437939975772 0.52785716739853 63.546 > 3 28 Cu 0.16666666666667 0.58562060024228 0.47214283260147 63.546 > 4 29 Cu 0.50000000000000 0.58562060024228 0.47214283260147 63.546 > 4 30 Cu 0.83333333333333 0.58562060024228 0.47214283260147 63.546 > 4 31 Cu 0.00000000000000 0.84204163226119 0.25000000000000 63.546 > 5 32 Cu 0.33333333333333 0.84204163226119 0.25000000000000 63.546 > 5 33 Cu 0.66666666666667 0.84204163226119 0.25000000000000 63.546 > 5 34 Cu 0.16666666666667 0.65795836773881 0.75000000000000 63.546 > 6 35 Cu 0.50000000000000 0.65795836773881 0.75000000000000 63.546 > 6 36 Cu 0.83333333333333 0.65795836773881 0.75000000000000 63.546 > 6 *37 Se 0.00000000000000 0.05896248620564 0.88249138023222 78.960 > 7 38 Se 0.33333333333333 0.05896248620564 0.88249138023222 78.960 > 7 39 Se 0.66666666666667 0.05896248620564 0.88249138023222 78.960 > 7 40 Se 0.16666666666667 0.44103751379436 0.11750861976778 78.960 > 8 41 Se 0.50000000000000 0.44103751379436 0.11750861976778 78.960 > 8 42 Se 0.83333333333333 0.44103751379436 0.11750861976778 78.960 > 8 43 Se 0.16666666666667 0.44103751379436 0.38249138023222 78.960 > 9 44 Se 0.50000000000000 0.44103751379436 0.38249138023222 78.960 > 9 45 Se 0.83333333333333 0.44103751379436 0.38249138023222 78.960 > 9 46 Se 0.00000000000000 0.05896248620564 0.61750861976778 78.960 > 10 47 Se 0.33333333333333 0.05896248620564 0.61750861976778 78.960 > 10 48 Se 0.66666666666667 0.05896248620564 0.61750861976778 78.960 > 10 *49 Se 0.16666666666667 0.24690862259418 0.75000000000000 78.960 > 11 50 Se 0.50000000000000 0.24690862259418 0.75000000000000 78.960 > 11 51 Se 0.83333333333333 0.24690862259418 0.75000000000000 78.960 > 11 52 Se 0.00000000000000 0.25309137740582 0.25000000000000 78.960 > 12 53 Se 0.33333333333333 0.25309137740582 0.25000000000000 78.960 > 12 54 Se 0.66666666666667 0.25309137740582 0.25000000000000 78.960 > 12 *55 Se 0.00000000000000 0.33426511604045 0.92784044050936 78.960 > 13 56 Se 0.33333333333333 0.33426511604045 0.92784044050936 78.960 > 13 57 Se 0.66666666666667 0.33426511604045 0.92784044050936 78.960 > 13 58 Se 0.16666666666667 0.16573488395955 0.07215955949064 78.960 > 14 59 Se 0.50000000000000 0.16573488395955 0.07215955949064 78.960 > 14 60 Se 0.83333333333333 0.16573488395955 0.07215955949064 78.960 > 14 61 Se 0.16666666666667 0.16573488395955 0.42784044050936 78.960 > 15 62 Se 0.50000000000000 0.16573488395955 0.42784044050936 78.960 > 15 63 Se 0.83333333333333 0.16573488395955 0.42784044050936 78.960 > 15 64 Se 0.00000000000000 0.33426511604045 0.57215955949064 78.960 > 16 65 Se 0.33333333333333 0.33426511604045 0.57215955949064 78.960 > 16 66 Se 0.66666666666667 0.33426511604045 0.57215955949064 78.960 > 16 67 Se 0.16666666666667 0.55896248620564 0.88249138023222 78.960 > 7 68 Se 0.50000000000000 0.55896248620564 0.88249138023222 78.960 > 7 69 Se 0.83333333333333 0.55896248620564 0.88249138023222 78.960 > 7 70 Se 0.00000000000000 0.94103751379436 0.11750861976778 78.960 > 8 71 Se 0.33333333333333 0.94103751379436 0.11750861976778 78.960 > 8 72 Se 0.66666666666667 0.94103751379436 0.11750861976778 78.960 > 8 73 Se 0.00000000000000 0.94103751379436 0.38249138023222 78.960 > 9 74 Se 0.33333333333333 0.94103751379436 0.38249138023222 78.960 > 9 75 Se 0.66666666666667 0.94103751379436 0.38249138023222 78.960 > 9 76 Se 0.16666666666667 0.55896248620564 0.61750861976778 78.960 > 10 77 Se 0.50000000000000 0.55896248620564 0.61750861976778 78.960 > 10 78 Se 0.83333333333333 0.55896248620564 0.61750861976778 78.960 > 10 79 Se 0.00000000000000 0.74690862259418 0.75000000000000 78.960 > 11 80 Se 0.33333333333333 0.74690862259418 0.75000000000000 78.960 > 11 81 Se 0.66666666666667 0.74690862259418 0.75000000000000 78.960 > 11 82 Se 0.16666666666667 0.75309137740582 0.25000000000000 78.960 > 12 83 Se 0.50000000000000 0.75309137740582 0.25000000000000 78.960 > 12 84 Se 0.83333333333333 0.75309137740582 0.25000000000000 78.960 > 12 85 Se 0.16666666666667 0.83426511604045 0.92784044050936 78.960 > 13 86 Se 0.50000000000000 0.83426511604045 0.92784044050936 78.960 > 13 87 Se 0.83333333333333 0.83426511604045 0.92784044050936 78.960 > 13 88 Se 0.00000000000000 0.66573488395955 0.07215955949064 78.960 > 14 89 Se 0.33333333333333 0.66573488395955 0.07215955949064 78.960 > 14 90 Se 0.66666666666667 0.66573488395955 0.07215955949064 78.960 > 14 91 Se 0.00000000000000 0.66573488395955 0.42784044050936 78.960 > 15 92 Se 0.33333333333333 0.66573488395955 0.42784044050936 78.960 > 15 93 Se 0.66666666666667 0.66573488395955 0.42784044050936 78.960 > 15 94 Se 0.16666666666667 0.83426511604045 0.57215955949064 78.960 > 16 95 Se 0.50000000000000 0.83426511604045 0.57215955949064 78.960 > 16 96 Se 0.83333333333333 0.83426511604045 0.57215955949064 78.960 > 16 *97 Rb 0.16666666666667 0.05972940077946 0.25000000000000 85.468 > 17 98 Rb 0.50000000000000 0.05972940077946 0.25000000000000 85.468 > 17 99 Rb 0.83333333333333 0.05972940077946 0.25000000000000 85.468 > 17 100 Rb 0.00000000000000 0.44027059922054 0.75000000000000 85.468 > 18 101 Rb 0.33333333333333 0.44027059922054 0.75000000000000 85.468 > 18 102 Rb 0.66666666666667 0.44027059922054 0.75000000000000 85.468 > 18 103 Rb 0.00000000000000 0.55972940077946 0.25000000000000 85.468 > 17 104 Rb 0.33333333333333 0.55972940077946 0.25000000000000 85.468 > 17 105 Rb 0.66666666666667 0.55972940077946 0.25000000000000 85.468 > 17 106 Rb 0.16666666666667 0.94027059922054 0.75000000000000 85.468 > 18 107 Rb 0.50000000000000 0.94027059922054 0.75000000000000 85.468 > 18 108 Rb 0.83333333333333 0.94027059922054 0.75000000000000 85.468 > 18 *109 Er 0.00000000000000 0.30746189242593 0.09224915869652 167.259 > 19 110 Er 0.33333333333333 0.30746189242593 0.09224915869652 167.259 > 19 111 Er 0.66666666666667 0.30746189242593 0.09224915869652 167.259 > 19 112 Er 0.16666666666667 0.19253810757407 0.90775084130348 167.259 > 20 113 Er 0.50000000000000 0.19253810757407 0.90775084130348 167.259 > 20 114 Er 0.83333333333333 0.19253810757407 0.90775084130348 167.259 > 20 115 Er 0.16666666666667 0.19253810757407 0.59224915869652 167.259 > 21 116 Er 0.50000000000000 0.19253810757407 0.59224915869652 167.259 > 21 117 Er 0.83333333333333 0.19253810757407 0.59224915869652 167.259 > 21 118 Er 0.00000000000000 0.30746189242593 0.40775084130348 167.259 > 22 119 Er 0.33333333333333 0.30746189242593 0.40775084130348 167.259 > 22 120 Er 0.66666666666667 0.30746189242593 0.40775084130348 167.259 > 22 121 Er 0.16666666666667 0.80746189242593 0.09224915869652 167.259 > 19 122 Er 0.50000000000000 0.80746189242593 0.09224915869652 167.259 > 19 123 Er 0.83333333333333 0.80746189242593 0.09224915869652 167.259 > 19 124 Er 0.00000000000000 0.69253810757407 0.90775084130348 167.259 > 20 125 Er 0.33333333333333 0.69253810757407 0.90775084130348 167.259 > 20 126 Er 0.66666666666667 0.69253810757407 0.90775084130348 167.259 > 20 127 Er 0.00000000000000 0.69253810757407 0.59224915869652 167.259 > 21 128 Er 0.33333333333333 0.69253810757407 0.59224915869652 167.259 > 21 129 Er 0.66666666666667 0.69253810757407 0.59224915869652 167.259 > 21 130 Er 0.16666666666667 0.80746189242593 0.40775084130348 167.259 > 22 131 Er 0.50000000000000 0.80746189242593 0.40775084130348 167.259 > 22 132 Er 0.83333333333333 0.80746189242593 0.40775084130348 167.259 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9636231 0.0000000 0.0000000 0.0000000 8.8310166 0.0000000 0.0000000 0.0000000 10.7719216 -------------------------- Born effective charges -------------------------- 1 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 -0.3071098 0.0000000 -0.2338649 1.0144652 2 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 -0.3071098 0.0000000 -0.2338649 1.0144652 3 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 0.3071098 0.0000000 0.2338649 1.0144652 4 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 0.3071098 0.0000000 0.2338649 1.0144652 5 Cu 0.7416257 0.0000000 0.0000000 0.0000000 0.6521277 0.0000000 0.0000000 0.0000000 1.3703472 6 Cu 0.7416257 0.0000000 0.0000000 0.0000000 0.6521277 0.0000000 0.0000000 0.0000000 1.3703472 7 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 0.0091068 0.0000000 0.4861478 -2.5569471 8 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 0.0091068 0.0000000 0.4861478 -2.5569471 9 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 -0.0091068 0.0000000 -0.4861478 -2.5569471 10 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 -0.0091068 0.0000000 -0.4861478 -2.5569471 11 Se -1.6270511 0.0000000 0.0000000 0.0000000 -1.7160813 0.0000000 0.0000000 0.0000000 -4.2189738 12 Se -1.6270511 0.0000000 0.0000000 0.0000000 -1.7160813 0.0000000 0.0000000 0.0000000 -4.2189738 13 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 -0.1944801 0.0000000 -0.4058044 -2.0867026 14 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 -0.1944801 0.0000000 -0.4058044 -2.0867026 15 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 0.1944801 0.0000000 0.4058044 -2.0867026 16 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 0.1944801 0.0000000 0.4058044 -2.0867026 17 Rb 1.0769198 0.0000000 0.0000000 0.0000000 1.5967900 0.0000000 0.0000000 0.0000000 1.6405140 18 Rb 1.0769198 0.0000000 0.0000000 0.0000000 1.5967900 0.0000000 0.0000000 0.0000000 1.6405140 19 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 0.9908607 0.0000000 0.0385299 4.2332408 20 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 0.9908607 0.0000000 0.0385299 4.2332408 21 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 -0.9908607 0.0000000 -0.0385299 4.2332408 22 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 -0.9908607 0.0000000 -0.0385299 4.2332408 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 3.397 Solver_block: 200 / 400 - Time: 3.348 Solver_block: 300 / 400 - Time: 3.348 Solver_block: 400 / 400 - Time: 3.350 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.494 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:32:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:32:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.020601770000000 -7.106228604999999 0.000000000000000 b 2.020601770000000 7.106228604999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.726647830000001 Atomic positions (fractional): 1 Cu 0.91437939975772 0.08562060024228 0.02785716739853 63.546 2 Cu 0.08562060024228 0.91437939975772 0.97214283260147 63.546 3 Cu 0.08562060024228 0.91437939975772 0.52785716739853 63.546 4 Cu 0.91437939975772 0.08562060024228 0.47214283260147 63.546 5 Cu 0.15795836773881 0.84204163226119 0.25000000000000 63.546 6 Cu 0.84204163226119 0.15795836773881 0.75000000000000 63.546 7 Se 0.94103751379436 0.05896248620564 0.88249138023222 78.960 8 Se 0.05896248620564 0.94103751379436 0.11750861976778 78.960 9 Se 0.05896248620564 0.94103751379436 0.38249138023222 78.960 10 Se 0.94103751379436 0.05896248620564 0.61750861976778 78.960 11 Se 0.25309137740582 0.74690862259418 0.75000000000000 78.960 12 Se 0.74690862259418 0.25309137740582 0.25000000000000 78.960 13 Se 0.66573488395955 0.33426511604045 0.92784044050936 78.960 14 Se 0.33426511604045 0.66573488395955 0.07215955949064 78.960 15 Se 0.33426511604045 0.66573488395955 0.42784044050936 78.960 16 Se 0.66573488395955 0.33426511604045 0.57215955949064 78.960 17 Rb 0.44027059922054 0.55972940077946 0.25000000000000 85.468 18 Rb 0.55972940077946 0.44027059922054 0.75000000000000 85.468 19 Er 0.69253810757407 0.30746189242593 0.09224915869652 167.259 20 Er 0.30746189242593 0.69253810757407 0.90775084130348 167.259 21 Er 0.30746189242593 0.69253810757407 0.59224915869652 167.259 22 Er 0.69253810757407 0.30746189242593 0.40775084130348 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.123610619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.212457209999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.726647830000001 Atomic positions (fractional): 1 Cu 0.00000000000000 0.08562060024228 0.02785716739853 63.546 > 1 2 Cu 0.33333333333333 0.08562060024228 0.02785716739853 63.546 > 1 3 Cu 0.66666666666667 0.08562060024228 0.02785716739853 63.546 > 1 4 Cu 0.16666666666667 0.41437939975772 0.97214283260147 63.546 > 4 5 Cu 0.50000000000000 0.41437939975772 0.97214283260147 63.546 > 4 6 Cu 0.83333333333333 0.41437939975772 0.97214283260147 63.546 > 4 7 Cu 0.16666666666667 0.41437939975772 0.52785716739853 63.546 > 7 8 Cu 0.50000000000000 0.41437939975772 0.52785716739853 63.546 > 7 9 Cu 0.83333333333333 0.41437939975772 0.52785716739853 63.546 > 7 10 Cu 0.00000000000000 0.08562060024228 0.47214283260147 63.546 > 10 11 Cu 0.33333333333333 0.08562060024228 0.47214283260147 63.546 > 10 12 Cu 0.66666666666667 0.08562060024228 0.47214283260147 63.546 > 10 13 Cu 0.16666666666667 0.34204163226119 0.25000000000000 63.546 > 13 14 Cu 0.50000000000000 0.34204163226119 0.25000000000000 63.546 > 13 15 Cu 0.83333333333333 0.34204163226119 0.25000000000000 63.546 > 13 16 Cu 0.00000000000000 0.15795836773881 0.75000000000000 63.546 > 16 17 Cu 0.33333333333333 0.15795836773881 0.75000000000000 63.546 > 16 18 Cu 0.66666666666667 0.15795836773881 0.75000000000000 63.546 > 16 19 Cu 0.16666666666667 0.58562060024228 0.02785716739853 63.546 > 1 20 Cu 0.50000000000000 0.58562060024228 0.02785716739853 63.546 > 1 21 Cu 0.83333333333333 0.58562060024228 0.02785716739853 63.546 > 1 22 Cu 0.00000000000000 0.91437939975772 0.97214283260147 63.546 > 4 23 Cu 0.33333333333333 0.91437939975772 0.97214283260147 63.546 > 4 24 Cu 0.66666666666667 0.91437939975772 0.97214283260147 63.546 > 4 25 Cu 0.00000000000000 0.91437939975772 0.52785716739853 63.546 > 7 26 Cu 0.33333333333333 0.91437939975772 0.52785716739853 63.546 > 7 27 Cu 0.66666666666667 0.91437939975772 0.52785716739853 63.546 > 7 28 Cu 0.16666666666667 0.58562060024228 0.47214283260147 63.546 > 10 29 Cu 0.50000000000000 0.58562060024228 0.47214283260147 63.546 > 10 30 Cu 0.83333333333333 0.58562060024228 0.47214283260147 63.546 > 10 31 Cu 0.00000000000000 0.84204163226119 0.25000000000000 63.546 > 13 32 Cu 0.33333333333333 0.84204163226119 0.25000000000000 63.546 > 13 33 Cu 0.66666666666667 0.84204163226119 0.25000000000000 63.546 > 13 34 Cu 0.16666666666667 0.65795836773881 0.75000000000000 63.546 > 16 35 Cu 0.50000000000000 0.65795836773881 0.75000000000000 63.546 > 16 36 Cu 0.83333333333333 0.65795836773881 0.75000000000000 63.546 > 16 37 Se 0.00000000000000 0.05896248620564 0.88249138023222 78.960 > 37 38 Se 0.33333333333333 0.05896248620564 0.88249138023222 78.960 > 37 39 Se 0.66666666666667 0.05896248620564 0.88249138023222 78.960 > 37 40 Se 0.16666666666667 0.44103751379436 0.11750861976778 78.960 > 40 41 Se 0.50000000000000 0.44103751379436 0.11750861976778 78.960 > 40 42 Se 0.83333333333333 0.44103751379436 0.11750861976778 78.960 > 40 43 Se 0.16666666666667 0.44103751379436 0.38249138023222 78.960 > 43 44 Se 0.50000000000000 0.44103751379436 0.38249138023222 78.960 > 43 45 Se 0.83333333333333 0.44103751379436 0.38249138023222 78.960 > 43 46 Se 0.00000000000000 0.05896248620564 0.61750861976778 78.960 > 46 47 Se 0.33333333333333 0.05896248620564 0.61750861976778 78.960 > 46 48 Se 0.66666666666667 0.05896248620564 0.61750861976778 78.960 > 46 49 Se 0.16666666666667 0.24690862259418 0.75000000000000 78.960 > 49 50 Se 0.50000000000000 0.24690862259418 0.75000000000000 78.960 > 49 51 Se 0.83333333333333 0.24690862259418 0.75000000000000 78.960 > 49 52 Se 0.00000000000000 0.25309137740582 0.25000000000000 78.960 > 52 53 Se 0.33333333333333 0.25309137740582 0.25000000000000 78.960 > 52 54 Se 0.66666666666667 0.25309137740582 0.25000000000000 78.960 > 52 55 Se 0.00000000000000 0.33426511604045 0.92784044050936 78.960 > 55 56 Se 0.33333333333333 0.33426511604045 0.92784044050936 78.960 > 55 57 Se 0.66666666666667 0.33426511604045 0.92784044050936 78.960 > 55 58 Se 0.16666666666667 0.16573488395955 0.07215955949064 78.960 > 58 59 Se 0.50000000000000 0.16573488395955 0.07215955949064 78.960 > 58 60 Se 0.83333333333333 0.16573488395955 0.07215955949064 78.960 > 58 61 Se 0.16666666666667 0.16573488395955 0.42784044050936 78.960 > 61 62 Se 0.50000000000000 0.16573488395955 0.42784044050936 78.960 > 61 63 Se 0.83333333333333 0.16573488395955 0.42784044050936 78.960 > 61 64 Se 0.00000000000000 0.33426511604045 0.57215955949064 78.960 > 64 65 Se 0.33333333333333 0.33426511604045 0.57215955949064 78.960 > 64 66 Se 0.66666666666667 0.33426511604045 0.57215955949064 78.960 > 64 67 Se 0.16666666666667 0.55896248620564 0.88249138023222 78.960 > 37 68 Se 0.50000000000000 0.55896248620564 0.88249138023222 78.960 > 37 69 Se 0.83333333333333 0.55896248620564 0.88249138023222 78.960 > 37 70 Se 0.00000000000000 0.94103751379436 0.11750861976778 78.960 > 40 71 Se 0.33333333333333 0.94103751379436 0.11750861976778 78.960 > 40 72 Se 0.66666666666667 0.94103751379436 0.11750861976778 78.960 > 40 73 Se 0.00000000000000 0.94103751379436 0.38249138023222 78.960 > 43 74 Se 0.33333333333333 0.94103751379436 0.38249138023222 78.960 > 43 75 Se 0.66666666666667 0.94103751379436 0.38249138023222 78.960 > 43 76 Se 0.16666666666667 0.55896248620564 0.61750861976778 78.960 > 46 77 Se 0.50000000000000 0.55896248620564 0.61750861976778 78.960 > 46 78 Se 0.83333333333333 0.55896248620564 0.61750861976778 78.960 > 46 79 Se 0.00000000000000 0.74690862259418 0.75000000000000 78.960 > 49 80 Se 0.33333333333333 0.74690862259418 0.75000000000000 78.960 > 49 81 Se 0.66666666666667 0.74690862259418 0.75000000000000 78.960 > 49 82 Se 0.16666666666667 0.75309137740582 0.25000000000000 78.960 > 52 83 Se 0.50000000000000 0.75309137740582 0.25000000000000 78.960 > 52 84 Se 0.83333333333333 0.75309137740582 0.25000000000000 78.960 > 52 85 Se 0.16666666666667 0.83426511604045 0.92784044050936 78.960 > 55 86 Se 0.50000000000000 0.83426511604045 0.92784044050936 78.960 > 55 87 Se 0.83333333333333 0.83426511604045 0.92784044050936 78.960 > 55 88 Se 0.00000000000000 0.66573488395955 0.07215955949064 78.960 > 58 89 Se 0.33333333333333 0.66573488395955 0.07215955949064 78.960 > 58 90 Se 0.66666666666667 0.66573488395955 0.07215955949064 78.960 > 58 91 Se 0.00000000000000 0.66573488395955 0.42784044050936 78.960 > 61 92 Se 0.33333333333333 0.66573488395955 0.42784044050936 78.960 > 61 93 Se 0.66666666666667 0.66573488395955 0.42784044050936 78.960 > 61 94 Se 0.16666666666667 0.83426511604045 0.57215955949064 78.960 > 64 95 Se 0.50000000000000 0.83426511604045 0.57215955949064 78.960 > 64 96 Se 0.83333333333333 0.83426511604045 0.57215955949064 78.960 > 64 97 Rb 0.16666666666667 0.05972940077946 0.25000000000000 85.468 > 97 98 Rb 0.50000000000000 0.05972940077946 0.25000000000000 85.468 > 97 99 Rb 0.83333333333333 0.05972940077946 0.25000000000000 85.468 > 97 100 Rb 0.00000000000000 0.44027059922054 0.75000000000000 85.468 > 100 101 Rb 0.33333333333333 0.44027059922054 0.75000000000000 85.468 > 100 102 Rb 0.66666666666667 0.44027059922054 0.75000000000000 85.468 > 100 103 Rb 0.00000000000000 0.55972940077946 0.25000000000000 85.468 > 97 104 Rb 0.33333333333333 0.55972940077946 0.25000000000000 85.468 > 97 105 Rb 0.66666666666667 0.55972940077946 0.25000000000000 85.468 > 97 106 Rb 0.16666666666667 0.94027059922054 0.75000000000000 85.468 > 100 107 Rb 0.50000000000000 0.94027059922054 0.75000000000000 85.468 > 100 108 Rb 0.83333333333333 0.94027059922054 0.75000000000000 85.468 > 100 109 Er 0.00000000000000 0.30746189242593 0.09224915869652 167.259 > 109 110 Er 0.33333333333333 0.30746189242593 0.09224915869652 167.259 > 109 111 Er 0.66666666666667 0.30746189242593 0.09224915869652 167.259 > 109 112 Er 0.16666666666667 0.19253810757407 0.90775084130348 167.259 > 112 113 Er 0.50000000000000 0.19253810757407 0.90775084130348 167.259 > 112 114 Er 0.83333333333333 0.19253810757407 0.90775084130348 167.259 > 112 115 Er 0.16666666666667 0.19253810757407 0.59224915869652 167.259 > 115 116 Er 0.50000000000000 0.19253810757407 0.59224915869652 167.259 > 115 117 Er 0.83333333333333 0.19253810757407 0.59224915869652 167.259 > 115 118 Er 0.00000000000000 0.30746189242593 0.40775084130348 167.259 > 118 119 Er 0.33333333333333 0.30746189242593 0.40775084130348 167.259 > 118 120 Er 0.66666666666667 0.30746189242593 0.40775084130348 167.259 > 118 121 Er 0.16666666666667 0.80746189242593 0.09224915869652 167.259 > 109 122 Er 0.50000000000000 0.80746189242593 0.09224915869652 167.259 > 109 123 Er 0.83333333333333 0.80746189242593 0.09224915869652 167.259 > 109 124 Er 0.00000000000000 0.69253810757407 0.90775084130348 167.259 > 112 125 Er 0.33333333333333 0.69253810757407 0.90775084130348 167.259 > 112 126 Er 0.66666666666667 0.69253810757407 0.90775084130348 167.259 > 112 127 Er 0.00000000000000 0.69253810757407 0.59224915869652 167.259 > 115 128 Er 0.33333333333333 0.69253810757407 0.59224915869652 167.259 > 115 129 Er 0.66666666666667 0.69253810757407 0.59224915869652 167.259 > 115 130 Er 0.16666666666667 0.80746189242593 0.40775084130348 167.259 > 118 131 Er 0.50000000000000 0.80746189242593 0.40775084130348 167.259 > 118 132 Er 0.83333333333333 0.80746189242593 0.40775084130348 167.259 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9636231 0.0000000 0.0000000 0.0000000 8.8310166 0.0000000 0.0000000 0.0000000 10.7719216 -------------------------- Born effective charges -------------------------- 1 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 -0.3071098 0.0000000 -0.2338649 1.0144652 2 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 -0.3071098 0.0000000 -0.2338649 1.0144652 3 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 0.3071098 0.0000000 0.2338649 1.0144652 4 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 0.3071098 0.0000000 0.2338649 1.0144652 5 Cu 0.7416257 0.0000000 0.0000000 0.0000000 0.6521277 0.0000000 0.0000000 0.0000000 1.3703472 6 Cu 0.7416257 0.0000000 0.0000000 0.0000000 0.6521277 0.0000000 0.0000000 0.0000000 1.3703472 7 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 0.0091068 0.0000000 0.4861478 -2.5569471 8 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 0.0091068 0.0000000 0.4861478 -2.5569471 9 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 -0.0091068 0.0000000 -0.4861478 -2.5569471 10 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 -0.0091068 0.0000000 -0.4861478 -2.5569471 11 Se -1.6270511 0.0000000 0.0000000 0.0000000 -1.7160813 0.0000000 0.0000000 0.0000000 -4.2189738 12 Se -1.6270511 0.0000000 0.0000000 0.0000000 -1.7160813 0.0000000 0.0000000 0.0000000 -4.2189738 13 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 -0.1944801 0.0000000 -0.4058044 -2.0867026 14 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 -0.1944801 0.0000000 -0.4058044 -2.0867026 15 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 0.1944801 0.0000000 0.4058044 -2.0867026 16 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 0.1944801 0.0000000 0.4058044 -2.0867026 17 Rb 1.0769198 0.0000000 0.0000000 0.0000000 1.5967900 0.0000000 0.0000000 0.0000000 1.6405140 18 Rb 1.0769198 0.0000000 0.0000000 0.0000000 1.5967900 0.0000000 0.0000000 0.0000000 1.6405140 19 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 0.9908607 0.0000000 0.0385299 4.2332408 20 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 0.9908607 0.0000000 0.0385299 4.2332408 21 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 -0.9908607 0.0000000 -0.0385299 4.2332408 22 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 -0.9908607 0.0000000 -0.0385299 4.2332408 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:32:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:32:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.020601770000000 -7.106228604999999 0.000000000000000 b 2.020601770000000 7.106228604999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.726647830000001 Atomic positions (fractional): 1 Cu 0.91437939975772 0.08562060024228 0.02785716739853 63.546 2 Cu 0.08562060024228 0.91437939975772 0.97214283260147 63.546 3 Cu 0.08562060024228 0.91437939975772 0.52785716739853 63.546 4 Cu 0.91437939975772 0.08562060024228 0.47214283260147 63.546 5 Cu 0.15795836773881 0.84204163226119 0.25000000000000 63.546 6 Cu 0.84204163226119 0.15795836773881 0.75000000000000 63.546 7 Se 0.94103751379436 0.05896248620564 0.88249138023222 78.960 8 Se 0.05896248620564 0.94103751379436 0.11750861976778 78.960 9 Se 0.05896248620564 0.94103751379436 0.38249138023222 78.960 10 Se 0.94103751379436 0.05896248620564 0.61750861976778 78.960 11 Se 0.25309137740582 0.74690862259418 0.75000000000000 78.960 12 Se 0.74690862259418 0.25309137740582 0.25000000000000 78.960 13 Se 0.66573488395955 0.33426511604045 0.92784044050936 78.960 14 Se 0.33426511604045 0.66573488395955 0.07215955949064 78.960 15 Se 0.33426511604045 0.66573488395955 0.42784044050936 78.960 16 Se 0.66573488395955 0.33426511604045 0.57215955949064 78.960 17 Rb 0.44027059922054 0.55972940077946 0.25000000000000 85.468 18 Rb 0.55972940077946 0.44027059922054 0.75000000000000 85.468 19 Er 0.69253810757407 0.30746189242593 0.09224915869652 167.259 20 Er 0.30746189242593 0.69253810757407 0.90775084130348 167.259 21 Er 0.30746189242593 0.69253810757407 0.59224915869652 167.259 22 Er 0.69253810757407 0.30746189242593 0.40775084130348 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.123610619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.212457209999998 0.000000000000000 c 0.000000000000000 0.000000000000000 16.726647830000001 Atomic positions (fractional): 1 Cu 0.00000000000000 0.08562060024228 0.02785716739853 63.546 > 1 2 Cu 0.33333333333333 0.08562060024228 0.02785716739853 63.546 > 1 3 Cu 0.66666666666667 0.08562060024228 0.02785716739853 63.546 > 1 4 Cu 0.16666666666667 0.41437939975772 0.97214283260147 63.546 > 4 5 Cu 0.50000000000000 0.41437939975772 0.97214283260147 63.546 > 4 6 Cu 0.83333333333333 0.41437939975772 0.97214283260147 63.546 > 4 7 Cu 0.16666666666667 0.41437939975772 0.52785716739853 63.546 > 7 8 Cu 0.50000000000000 0.41437939975772 0.52785716739853 63.546 > 7 9 Cu 0.83333333333333 0.41437939975772 0.52785716739853 63.546 > 7 10 Cu 0.00000000000000 0.08562060024228 0.47214283260147 63.546 > 10 11 Cu 0.33333333333333 0.08562060024228 0.47214283260147 63.546 > 10 12 Cu 0.66666666666667 0.08562060024228 0.47214283260147 63.546 > 10 13 Cu 0.16666666666667 0.34204163226119 0.25000000000000 63.546 > 13 14 Cu 0.50000000000000 0.34204163226119 0.25000000000000 63.546 > 13 15 Cu 0.83333333333333 0.34204163226119 0.25000000000000 63.546 > 13 16 Cu 0.00000000000000 0.15795836773881 0.75000000000000 63.546 > 16 17 Cu 0.33333333333333 0.15795836773881 0.75000000000000 63.546 > 16 18 Cu 0.66666666666667 0.15795836773881 0.75000000000000 63.546 > 16 19 Cu 0.16666666666667 0.58562060024228 0.02785716739853 63.546 > 1 20 Cu 0.50000000000000 0.58562060024228 0.02785716739853 63.546 > 1 21 Cu 0.83333333333333 0.58562060024228 0.02785716739853 63.546 > 1 22 Cu 0.00000000000000 0.91437939975772 0.97214283260147 63.546 > 4 23 Cu 0.33333333333333 0.91437939975772 0.97214283260147 63.546 > 4 24 Cu 0.66666666666667 0.91437939975772 0.97214283260147 63.546 > 4 25 Cu 0.00000000000000 0.91437939975772 0.52785716739853 63.546 > 7 26 Cu 0.33333333333333 0.91437939975772 0.52785716739853 63.546 > 7 27 Cu 0.66666666666667 0.91437939975772 0.52785716739853 63.546 > 7 28 Cu 0.16666666666667 0.58562060024228 0.47214283260147 63.546 > 10 29 Cu 0.50000000000000 0.58562060024228 0.47214283260147 63.546 > 10 30 Cu 0.83333333333333 0.58562060024228 0.47214283260147 63.546 > 10 31 Cu 0.00000000000000 0.84204163226119 0.25000000000000 63.546 > 13 32 Cu 0.33333333333333 0.84204163226119 0.25000000000000 63.546 > 13 33 Cu 0.66666666666667 0.84204163226119 0.25000000000000 63.546 > 13 34 Cu 0.16666666666667 0.65795836773881 0.75000000000000 63.546 > 16 35 Cu 0.50000000000000 0.65795836773881 0.75000000000000 63.546 > 16 36 Cu 0.83333333333333 0.65795836773881 0.75000000000000 63.546 > 16 37 Se 0.00000000000000 0.05896248620564 0.88249138023222 78.960 > 37 38 Se 0.33333333333333 0.05896248620564 0.88249138023222 78.960 > 37 39 Se 0.66666666666667 0.05896248620564 0.88249138023222 78.960 > 37 40 Se 0.16666666666667 0.44103751379436 0.11750861976778 78.960 > 40 41 Se 0.50000000000000 0.44103751379436 0.11750861976778 78.960 > 40 42 Se 0.83333333333333 0.44103751379436 0.11750861976778 78.960 > 40 43 Se 0.16666666666667 0.44103751379436 0.38249138023222 78.960 > 43 44 Se 0.50000000000000 0.44103751379436 0.38249138023222 78.960 > 43 45 Se 0.83333333333333 0.44103751379436 0.38249138023222 78.960 > 43 46 Se 0.00000000000000 0.05896248620564 0.61750861976778 78.960 > 46 47 Se 0.33333333333333 0.05896248620564 0.61750861976778 78.960 > 46 48 Se 0.66666666666667 0.05896248620564 0.61750861976778 78.960 > 46 49 Se 0.16666666666667 0.24690862259418 0.75000000000000 78.960 > 49 50 Se 0.50000000000000 0.24690862259418 0.75000000000000 78.960 > 49 51 Se 0.83333333333333 0.24690862259418 0.75000000000000 78.960 > 49 52 Se 0.00000000000000 0.25309137740582 0.25000000000000 78.960 > 52 53 Se 0.33333333333333 0.25309137740582 0.25000000000000 78.960 > 52 54 Se 0.66666666666667 0.25309137740582 0.25000000000000 78.960 > 52 55 Se 0.00000000000000 0.33426511604045 0.92784044050936 78.960 > 55 56 Se 0.33333333333333 0.33426511604045 0.92784044050936 78.960 > 55 57 Se 0.66666666666667 0.33426511604045 0.92784044050936 78.960 > 55 58 Se 0.16666666666667 0.16573488395955 0.07215955949064 78.960 > 58 59 Se 0.50000000000000 0.16573488395955 0.07215955949064 78.960 > 58 60 Se 0.83333333333333 0.16573488395955 0.07215955949064 78.960 > 58 61 Se 0.16666666666667 0.16573488395955 0.42784044050936 78.960 > 61 62 Se 0.50000000000000 0.16573488395955 0.42784044050936 78.960 > 61 63 Se 0.83333333333333 0.16573488395955 0.42784044050936 78.960 > 61 64 Se 0.00000000000000 0.33426511604045 0.57215955949064 78.960 > 64 65 Se 0.33333333333333 0.33426511604045 0.57215955949064 78.960 > 64 66 Se 0.66666666666667 0.33426511604045 0.57215955949064 78.960 > 64 67 Se 0.16666666666667 0.55896248620564 0.88249138023222 78.960 > 37 68 Se 0.50000000000000 0.55896248620564 0.88249138023222 78.960 > 37 69 Se 0.83333333333333 0.55896248620564 0.88249138023222 78.960 > 37 70 Se 0.00000000000000 0.94103751379436 0.11750861976778 78.960 > 40 71 Se 0.33333333333333 0.94103751379436 0.11750861976778 78.960 > 40 72 Se 0.66666666666667 0.94103751379436 0.11750861976778 78.960 > 40 73 Se 0.00000000000000 0.94103751379436 0.38249138023222 78.960 > 43 74 Se 0.33333333333333 0.94103751379436 0.38249138023222 78.960 > 43 75 Se 0.66666666666667 0.94103751379436 0.38249138023222 78.960 > 43 76 Se 0.16666666666667 0.55896248620564 0.61750861976778 78.960 > 46 77 Se 0.50000000000000 0.55896248620564 0.61750861976778 78.960 > 46 78 Se 0.83333333333333 0.55896248620564 0.61750861976778 78.960 > 46 79 Se 0.00000000000000 0.74690862259418 0.75000000000000 78.960 > 49 80 Se 0.33333333333333 0.74690862259418 0.75000000000000 78.960 > 49 81 Se 0.66666666666667 0.74690862259418 0.75000000000000 78.960 > 49 82 Se 0.16666666666667 0.75309137740582 0.25000000000000 78.960 > 52 83 Se 0.50000000000000 0.75309137740582 0.25000000000000 78.960 > 52 84 Se 0.83333333333333 0.75309137740582 0.25000000000000 78.960 > 52 85 Se 0.16666666666667 0.83426511604045 0.92784044050936 78.960 > 55 86 Se 0.50000000000000 0.83426511604045 0.92784044050936 78.960 > 55 87 Se 0.83333333333333 0.83426511604045 0.92784044050936 78.960 > 55 88 Se 0.00000000000000 0.66573488395955 0.07215955949064 78.960 > 58 89 Se 0.33333333333333 0.66573488395955 0.07215955949064 78.960 > 58 90 Se 0.66666666666667 0.66573488395955 0.07215955949064 78.960 > 58 91 Se 0.00000000000000 0.66573488395955 0.42784044050936 78.960 > 61 92 Se 0.33333333333333 0.66573488395955 0.42784044050936 78.960 > 61 93 Se 0.66666666666667 0.66573488395955 0.42784044050936 78.960 > 61 94 Se 0.16666666666667 0.83426511604045 0.57215955949064 78.960 > 64 95 Se 0.50000000000000 0.83426511604045 0.57215955949064 78.960 > 64 96 Se 0.83333333333333 0.83426511604045 0.57215955949064 78.960 > 64 97 Rb 0.16666666666667 0.05972940077946 0.25000000000000 85.468 > 97 98 Rb 0.50000000000000 0.05972940077946 0.25000000000000 85.468 > 97 99 Rb 0.83333333333333 0.05972940077946 0.25000000000000 85.468 > 97 100 Rb 0.00000000000000 0.44027059922054 0.75000000000000 85.468 > 100 101 Rb 0.33333333333333 0.44027059922054 0.75000000000000 85.468 > 100 102 Rb 0.66666666666667 0.44027059922054 0.75000000000000 85.468 > 100 103 Rb 0.00000000000000 0.55972940077946 0.25000000000000 85.468 > 97 104 Rb 0.33333333333333 0.55972940077946 0.25000000000000 85.468 > 97 105 Rb 0.66666666666667 0.55972940077946 0.25000000000000 85.468 > 97 106 Rb 0.16666666666667 0.94027059922054 0.75000000000000 85.468 > 100 107 Rb 0.50000000000000 0.94027059922054 0.75000000000000 85.468 > 100 108 Rb 0.83333333333333 0.94027059922054 0.75000000000000 85.468 > 100 109 Er 0.00000000000000 0.30746189242593 0.09224915869652 167.259 > 109 110 Er 0.33333333333333 0.30746189242593 0.09224915869652 167.259 > 109 111 Er 0.66666666666667 0.30746189242593 0.09224915869652 167.259 > 109 112 Er 0.16666666666667 0.19253810757407 0.90775084130348 167.259 > 112 113 Er 0.50000000000000 0.19253810757407 0.90775084130348 167.259 > 112 114 Er 0.83333333333333 0.19253810757407 0.90775084130348 167.259 > 112 115 Er 0.16666666666667 0.19253810757407 0.59224915869652 167.259 > 115 116 Er 0.50000000000000 0.19253810757407 0.59224915869652 167.259 > 115 117 Er 0.83333333333333 0.19253810757407 0.59224915869652 167.259 > 115 118 Er 0.00000000000000 0.30746189242593 0.40775084130348 167.259 > 118 119 Er 0.33333333333333 0.30746189242593 0.40775084130348 167.259 > 118 120 Er 0.66666666666667 0.30746189242593 0.40775084130348 167.259 > 118 121 Er 0.16666666666667 0.80746189242593 0.09224915869652 167.259 > 109 122 Er 0.50000000000000 0.80746189242593 0.09224915869652 167.259 > 109 123 Er 0.83333333333333 0.80746189242593 0.09224915869652 167.259 > 109 124 Er 0.00000000000000 0.69253810757407 0.90775084130348 167.259 > 112 125 Er 0.33333333333333 0.69253810757407 0.90775084130348 167.259 > 112 126 Er 0.66666666666667 0.69253810757407 0.90775084130348 167.259 > 112 127 Er 0.00000000000000 0.69253810757407 0.59224915869652 167.259 > 115 128 Er 0.33333333333333 0.69253810757407 0.59224915869652 167.259 > 115 129 Er 0.66666666666667 0.69253810757407 0.59224915869652 167.259 > 115 130 Er 0.16666666666667 0.80746189242593 0.40775084130348 167.259 > 118 131 Er 0.50000000000000 0.80746189242593 0.40775084130348 167.259 > 118 132 Er 0.83333333333333 0.80746189242593 0.40775084130348 167.259 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.9636231 0.0000000 0.0000000 0.0000000 8.8310166 0.0000000 0.0000000 0.0000000 10.7719216 -------------------------- Born effective charges -------------------------- 1 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 -0.3071098 0.0000000 -0.2338649 1.0144652 2 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 -0.3071098 0.0000000 -0.2338649 1.0144652 3 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 0.3071098 0.0000000 0.2338649 1.0144652 4 Cu 0.9848541 0.0000000 0.0000000 0.0000000 0.9245972 0.3071098 0.0000000 0.2338649 1.0144652 5 Cu 0.7416257 0.0000000 0.0000000 0.0000000 0.6521277 0.0000000 0.0000000 0.0000000 1.3703472 6 Cu 0.7416257 0.0000000 0.0000000 0.0000000 0.6521277 0.0000000 0.0000000 0.0000000 1.3703472 7 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 0.0091068 0.0000000 0.4861478 -2.5569471 8 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 0.0091068 0.0000000 0.4861478 -2.5569471 9 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 -0.0091068 0.0000000 -0.4861478 -2.5569471 10 Se -2.4233797 0.0000000 0.0000000 0.0000000 -2.2407405 -0.0091068 0.0000000 -0.4861478 -2.5569471 11 Se -1.6270511 0.0000000 0.0000000 0.0000000 -1.7160813 0.0000000 0.0000000 0.0000000 -4.2189738 12 Se -1.6270511 0.0000000 0.0000000 0.0000000 -1.7160813 0.0000000 0.0000000 0.0000000 -4.2189738 13 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 -0.1944801 0.0000000 -0.4058044 -2.0867026 14 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 -0.1944801 0.0000000 -0.4058044 -2.0867026 15 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 0.1944801 0.0000000 0.4058044 -2.0867026 16 Se -3.2258694 0.0000000 0.0000000 0.0000000 -2.0213718 0.1944801 0.0000000 0.4058044 -2.0867026 17 Rb 1.0769198 0.0000000 0.0000000 0.0000000 1.5967900 0.0000000 0.0000000 0.0000000 1.6405140 18 Rb 1.0769198 0.0000000 0.0000000 0.0000000 1.5967900 0.0000000 0.0000000 0.0000000 1.6405140 19 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 0.9908607 0.0000000 0.0385299 4.2332408 20 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 0.9908607 0.0000000 0.0385299 4.2332408 21 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 -0.9908607 0.0000000 -0.0385299 4.2332408 22 Er 4.5686478 0.0000000 0.0000000 0.0000000 3.0710968 -0.9908607 0.0000000 -0.0385299 4.2332408 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/98) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.902 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 1.310 ( 0.000 0.000 0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.620 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.617 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/98) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 18.552 -5.431 0.000) 19.331 0.403 ( 20.899 -0.961 0.000) 20.921 0.763 ( 36.214 -10.854 0.000) 37.806 1.033 ( 6.577 -0.387 0.000) 6.588 1.084 ( 14.286 -3.378 0.000) 14.680 1.305 ( 0.344 -1.051 0.000) 1.106 1.440 ( 5.471 3.883 0.000) 6.708 1.493 ( -0.128 0.279 0.000) 0.307 1.622 ( 1.964 -0.294 0.000) 1.986 1.765 ( 11.290 -4.912 0.000) 12.312 1.772 ( 0.098 0.142 0.000) 0.172 1.788 ( 6.373 0.497 0.000) 6.393 1.805 ( 7.990 -0.495 0.000) 8.005 1.979 ( 9.236 1.205 0.000) 9.315 2.124 ( -0.591 4.329 0.000) 4.369 2.174 ( 0.167 -4.285 0.000) 4.289 2.232 ( -2.873 1.205 0.000) 3.115 2.255 ( 2.281 -0.194 0.000) 2.290 2.336 ( 2.926 -1.551 0.000) 3.312 2.393 ( 0.088 -0.073 0.000) 0.115 2.410 ( -0.322 0.447 0.000) 0.551 2.448 ( 1.002 0.152 0.000) 1.013 2.461 ( 2.267 -0.044 0.000) 2.267 2.549 ( 0.958 -1.024 0.000) 1.403 2.642 ( 6.181 -0.023 0.000) 6.181 2.714 ( 1.952 -0.557 0.000) 2.030 2.746 ( 7.045 3.330 0.000) 7.793 2.881 ( 1.723 -0.910 0.000) 1.949 2.893 ( 0.007 0.368 0.000) 0.368 3.044 ( -1.470 -0.101 0.000) 1.474 3.085 ( -2.565 -5.074 0.000) 5.685 3.245 ( 0.643 -0.713 0.000) 0.960 3.253 ( 1.780 0.875 0.000) 1.983 3.350 ( 2.259 1.106 0.000) 2.515 3.498 ( -2.507 0.228 0.000) 2.518 3.598 ( -3.133 0.399 0.000) 3.158 4.040 ( 3.395 -0.339 0.000) 3.412 4.061 ( 6.051 -0.333 0.000) 6.060 4.069 ( 2.945 -0.302 0.000) 2.961 4.491 ( -0.126 7.527 0.000) 7.528 4.517 ( 2.246 4.310 0.000) 4.860 4.541 ( -1.446 1.553 0.000) 2.122 4.582 ( 3.245 4.208 0.000) 5.314 4.614 ( -0.022 0.522 0.000) 0.522 4.716 ( -0.175 -1.093 0.000) 1.106 4.789 ( -7.078 -9.995 0.000) 12.248 5.031 ( 1.325 -2.239 0.000) 2.602 5.123 ( 0.407 -0.305 0.000) 0.509 5.167 ( 0.064 -0.955 0.000) 0.958 5.249 ( -0.128 0.749 0.000) 0.760 5.275 ( -0.072 1.572 0.000) 1.574 5.287 ( 0.376 -0.632 0.000) 0.735 5.382 ( -0.225 -0.336 0.000) 0.404 5.383 ( -1.196 -2.085 0.000) 2.404 5.479 ( -2.281 0.227 0.000) 2.292 5.515 ( -1.243 -0.570 0.000) 1.368 5.562 ( -4.682 -0.240 0.000) 4.688 5.620 ( 3.162 0.953 0.000) 3.303 5.634 ( -2.128 -0.056 0.000) 2.129 5.642 ( 2.386 -1.252 0.000) 2.695 5.863 ( 0.981 0.061 0.000) 0.983 6.051 ( 0.272 -0.276 0.000) 0.387 6.058 ( 1.969 3.523 0.000) 4.036 6.435 ( -2.363 1.132 0.000) 2.620 6.471 ( 1.411 0.059 0.000) 1.412 6.529 ( 0.021 2.575 0.000) 2.575 ======================= Grid point 2 (3/98) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 17.160 -4.803 0.000) 17.820 0.802 ( 20.906 1.098 0.000) 20.935 1.198 ( 10.215 -1.353 0.000) 10.304 1.359 ( 4.930 -2.498 0.000) 5.527 1.366 ( 10.675 -0.902 0.000) 10.713 1.475 ( 30.928 -8.432 0.000) 32.057 1.499 ( 0.924 0.102 0.000) 0.930 1.564 ( 10.222 5.192 0.000) 11.465 1.727 ( 9.322 -0.397 0.000) 9.330 1.783 ( 1.765 0.543 0.000) 1.846 1.889 ( 3.566 1.347 0.000) 3.812 1.980 ( 8.638 -0.437 0.000) 8.649 2.006 ( 10.030 0.355 0.000) 10.036 2.121 ( 3.355 3.956 0.000) 5.187 2.171 ( 8.360 0.747 0.000) 8.394 2.175 ( -2.117 0.931 0.000) 2.312 2.257 ( 6.081 -6.250 0.000) 8.721 2.311 ( 3.382 -1.099 0.000) 3.556 2.363 ( 0.227 -2.043 0.000) 2.056 2.393 ( -0.567 -0.966 0.000) 1.120 2.468 ( 5.743 -0.958 0.000) 5.823 2.495 ( 5.398 -0.734 0.000) 5.448 2.540 ( 6.124 0.670 0.000) 6.160 2.598 ( 4.166 -1.647 0.000) 4.480 2.766 ( 3.205 0.965 0.000) 3.347 2.767 ( 6.392 0.959 0.000) 6.463 2.830 ( 2.025 1.414 0.000) 2.469 2.913 ( 3.020 3.455 0.000) 4.589 2.933 ( 3.096 -1.401 0.000) 3.398 3.017 ( -1.243 -0.687 0.000) 1.420 3.076 ( -1.026 -6.884 0.000) 6.960 3.263 ( 1.151 0.327 0.000) 1.196 3.279 ( 1.161 1.765 0.000) 2.113 3.383 ( 1.662 2.719 0.000) 3.187 3.433 ( -4.074 0.331 0.000) 4.087 3.514 ( -5.337 -0.224 0.000) 5.342 4.122 ( 4.471 -0.920 0.000) 4.564 4.144 ( 4.561 -0.864 0.000) 4.642 4.190 ( 6.495 -0.476 0.000) 6.513 4.453 ( -0.932 2.236 0.000) 2.423 4.506 ( -1.218 0.925 0.000) 1.529 4.548 ( 2.927 2.615 0.000) 3.925 4.615 ( 0.842 0.949 0.000) 1.269 4.619 ( 1.718 -0.745 0.000) 1.872 4.701 ( -4.583 -0.698 0.000) 4.636 4.718 ( -0.483 -1.775 0.000) 1.840 5.063 ( 1.012 -0.655 0.000) 1.206 5.137 ( 0.905 0.165 0.000) 0.920 5.177 ( 0.424 -1.073 0.000) 1.154 5.247 ( 0.483 1.030 0.000) 1.137 5.265 ( 0.170 2.016 0.000) 2.023 5.303 ( 1.150 -0.110 0.000) 1.155 5.370 ( -1.402 -1.970 0.000) 2.418 5.379 ( -0.182 -0.014 0.000) 0.183 5.423 ( -2.995 0.921 0.000) 3.133 5.446 ( -5.605 -0.683 0.000) 5.646 5.505 ( -1.140 -0.385 0.000) 1.203 5.581 ( -3.142 0.017 0.000) 3.142 5.667 ( 2.503 1.489 0.000) 2.912 5.708 ( 2.727 -2.069 0.000) 3.423 5.903 ( 3.084 0.265 0.000) 3.095 6.064 ( 1.052 -0.265 0.000) 1.085 6.080 ( 1.829 2.075 0.000) 2.766 6.374 ( -2.888 1.615 0.000) 3.309 6.488 ( 0.135 0.247 0.000) 0.281 6.507 ( -1.328 1.271 0.000) 1.838 ======================= Grid point 3 (4/98) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 14.123 -3.650 0.000) 14.587 1.176 ( 19.273 3.358 0.000) 19.564 1.416 ( 11.614 0.211 0.000) 11.616 1.494 ( 4.392 -0.109 0.000) 4.393 1.495 ( 7.233 -3.925 0.000) 8.229 1.528 ( 1.956 -0.321 0.000) 1.982 1.725 ( 10.023 4.829 0.000) 11.126 1.797 ( 1.766 1.752 0.000) 2.488 1.889 ( 5.282 5.905 0.000) 7.923 1.953 ( 10.644 2.959 0.000) 11.048 2.003 ( 9.095 -0.986 0.000) 9.149 2.072 ( 0.531 1.431 0.000) 1.526 2.092 ( 0.618 7.753 0.000) 7.777 2.180 ( 2.738 -3.288 0.000) 4.279 2.197 ( 8.923 0.251 0.000) 8.927 2.292 ( 3.053 -1.166 0.000) 3.268 2.330 ( -0.389 -2.645 0.000) 2.673 2.378 ( -1.771 -2.055 0.000) 2.713 2.395 ( 5.020 -0.642 0.000) 5.061 2.469 ( 10.256 -6.727 0.000) 12.266 2.625 ( 8.766 -2.473 0.000) 9.108 2.645 ( 4.423 2.030 0.000) 4.867 2.710 ( 12.421 -4.469 0.000) 13.201 2.761 ( 10.750 -3.159 0.000) 11.205 2.797 ( 1.268 1.080 0.000) 1.666 2.859 ( 2.984 0.210 0.000) 2.992 2.864 ( 5.086 2.546 0.000) 5.688 2.943 ( 2.894 2.687 0.000) 3.949 2.973 ( 0.583 1.492 0.000) 1.602 3.054 ( 4.826 -2.394 0.000) 5.387 3.106 ( -0.753 -4.485 0.000) 4.547 3.261 ( -2.318 1.340 0.000) 2.677 3.285 ( 1.469 0.881 0.000) 1.713 3.354 ( -3.293 -0.288 0.000) 3.306 3.373 ( -1.100 1.401 0.000) 1.782 3.411 ( -5.510 -0.843 0.000) 5.574 4.215 ( 4.460 -1.923 0.000) 4.857 4.248 ( 5.414 -1.524 0.000) 5.624 4.294 ( 3.968 -0.499 0.000) 4.000 4.431 ( -0.630 0.525 0.000) 0.820 4.490 ( -0.101 0.430 0.000) 0.442 4.593 ( 2.066 1.199 0.000) 2.389 4.639 ( -0.660 1.202 0.000) 1.372 4.641 ( 2.329 0.701 0.000) 2.433 4.659 ( 1.534 -1.244 0.000) 1.975 4.715 ( -1.000 -1.998 0.000) 2.234 5.073 ( 0.084 0.471 0.000) 0.478 5.139 ( -1.104 0.750 0.000) 1.334 5.200 ( 1.914 -0.407 0.000) 1.957 5.260 ( 1.778 2.031 0.000) 2.700 5.263 ( 0.682 1.583 0.000) 1.724 5.328 ( 1.188 0.758 0.000) 1.409 5.348 ( -1.391 -0.131 0.000) 1.397 5.353 ( -2.585 0.015 0.000) 2.585 5.373 ( -1.280 1.318 0.000) 1.837 5.397 ( 1.317 -0.353 0.000) 1.363 5.494 ( -0.007 0.183 0.000) 0.183 5.528 ( -2.034 -0.148 0.000) 2.040 5.697 ( 1.474 1.468 0.000) 2.080 5.751 ( 0.723 -1.579 0.000) 1.737 5.964 ( 3.139 0.669 0.000) 3.209 6.095 ( 1.930 -0.346 0.000) 1.961 6.100 ( 1.205 1.466 0.000) 1.897 6.316 ( -2.279 1.631 0.000) 2.802 6.462 ( -2.904 0.823 0.000) 3.018 6.467 ( -2.222 0.330 0.000) 2.246 ======================= Grid point 4 (5/98) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 8.736 -1.639 0.000) 8.889 1.483 ( 14.766 4.722 0.000) 15.503 1.553 ( 3.592 -0.044 0.000) 3.592 1.574 ( 2.958 -0.408 0.000) 2.986 1.640 ( 10.221 1.450 0.000) 10.324 1.658 ( 7.492 -2.876 0.000) 8.025 1.817 ( 1.417 2.420 0.000) 2.804 1.855 ( 5.529 4.291 0.000) 6.999 1.939 ( 2.103 5.410 0.000) 5.804 2.011 ( -1.215 5.146 0.000) 5.288 2.028 ( 1.641 8.537 0.000) 8.693 2.052 ( 0.117 3.606 0.000) 3.608 2.107 ( 3.954 0.469 0.000) 3.981 2.250 ( 1.727 -2.752 0.000) 3.249 2.267 ( -1.925 2.177 0.000) 2.906 2.287 ( 0.971 1.554 0.000) 1.832 2.347 ( 0.052 -2.494 0.000) 2.495 2.366 ( -0.312 -3.780 0.000) 3.793 2.525 ( 3.462 -1.946 0.000) 3.971 2.671 ( -0.324 1.437 0.000) 1.473 2.684 ( -0.973 -3.604 0.000) 3.733 2.744 ( 7.516 -3.015 0.000) 8.099 2.822 ( 1.012 -3.532 0.000) 3.674 2.875 ( -1.376 0.551 0.000) 1.482 2.908 ( 0.855 1.799 0.000) 1.992 2.960 ( 14.128 -3.624 0.000) 14.586 2.993 ( 4.329 -0.656 0.000) 4.379 3.021 ( 3.580 1.086 0.000) 3.741 3.062 ( -1.312 2.061 0.000) 2.443 3.090 ( 2.457 -0.283 0.000) 2.473 3.134 ( 10.694 -0.311 0.000) 10.698 3.254 ( 4.567 0.512 0.000) 4.595 3.310 ( 2.129 -0.350 0.000) 2.157 3.323 ( -1.689 -0.846 0.000) 1.889 3.356 ( 3.324 -3.038 0.000) 4.503 3.374 ( 0.558 -2.234 0.000) 2.302 4.307 ( 3.606 -1.903 0.000) 4.078 4.354 ( 4.354 -1.312 0.000) 4.547 4.354 ( 2.262 -1.764 0.000) 2.869 4.427 ( 0.437 -0.278 0.000) 0.518 4.494 ( 0.828 0.690 0.000) 1.078 4.587 ( -0.602 1.023 0.000) 1.187 4.673 ( 2.984 0.663 0.000) 3.057 4.684 ( 1.570 0.087 0.000) 1.572 4.691 ( 0.810 -0.945 0.000) 1.244 4.704 ( -0.543 -1.480 0.000) 1.576 5.064 ( -0.477 1.098 0.000) 1.197 5.089 ( -2.725 1.705 0.000) 3.215 5.252 ( 2.342 -0.242 0.000) 2.355 5.268 ( 1.170 2.066 0.000) 2.374 5.279 ( 1.166 3.498 0.000) 3.687 5.324 ( -1.030 1.327 0.000) 1.680 5.335 ( 0.809 -0.070 0.000) 0.812 5.341 ( 1.224 0.962 0.000) 1.557 5.362 ( 0.903 0.618 0.000) 1.094 5.441 ( 1.675 0.846 0.000) 1.877 5.524 ( 3.683 -0.328 0.000) 3.697 5.528 ( 3.267 -0.358 0.000) 3.287 5.709 ( 0.611 1.299 0.000) 1.436 5.758 ( -0.488 -0.778 0.000) 0.919 6.004 ( 1.460 1.348 0.000) 1.987 6.109 ( 0.356 0.648 0.000) 0.740 6.133 ( 1.459 -0.500 0.000) 1.542 6.268 ( -1.829 1.539 0.000) 2.390 6.384 ( -4.933 0.651 0.000) 4.976 6.398 ( -4.862 0.284 0.000) 4.870 ======================= Grid point 5 (6/98) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 3.143 0.001 0.000) 3.143 1.598 ( 1.407 -0.462 0.000) 1.481 1.658 ( 4.786 -0.241 0.000) 4.792 1.659 ( 5.405 4.026 0.000) 6.739 1.779 ( 3.224 5.193 0.000) 6.113 1.785 ( 5.100 2.652 0.000) 5.748 1.819 ( 0.408 2.417 0.000) 2.451 1.850 ( 0.732 2.935 0.000) 3.025 1.956 ( -1.257 2.448 0.000) 2.752 1.957 ( 2.455 -1.144 0.000) 2.709 2.000 ( -0.786 6.274 0.000) 6.323 2.112 ( 4.991 0.824 0.000) 5.059 2.160 ( 2.230 1.094 0.000) 2.484 2.216 ( -0.571 2.984 0.000) 3.038 2.269 ( -0.126 -1.825 0.000) 1.829 2.305 ( 2.181 3.584 0.000) 4.196 2.368 ( 2.054 -0.123 0.000) 2.057 2.414 ( 2.006 -4.233 0.000) 4.685 2.529 ( -3.012 -2.653 0.000) 4.014 2.626 ( -5.692 -5.134 0.000) 7.666 2.643 ( -1.075 1.352 0.000) 1.728 2.815 ( -3.356 1.142 0.000) 3.545 2.828 ( 0.075 -0.889 0.000) 0.892 2.882 ( -2.209 1.184 0.000) 2.506 2.883 ( 1.174 1.125 0.000) 1.626 2.927 ( -7.095 1.859 0.000) 7.335 2.929 ( -3.240 -2.162 0.000) 3.895 3.026 ( -1.880 -0.040 0.000) 1.880 3.114 ( 3.623 0.343 0.000) 3.639 3.283 ( 2.880 -1.979 0.000) 3.494 3.328 ( 6.232 -1.057 0.000) 6.321 3.329 ( 3.486 0.353 0.000) 3.504 3.394 ( 11.498 -1.053 0.000) 11.546 3.416 ( 5.806 -2.244 0.000) 6.224 3.475 ( 9.057 -2.125 0.000) 9.303 3.487 ( 7.237 -0.864 0.000) 7.288 4.349 ( 0.333 -0.549 0.000) 0.642 4.401 ( 0.528 0.201 0.000) 0.565 4.417 ( 2.450 -3.393 0.000) 4.185 4.463 ( 2.239 -1.800 0.000) 2.873 4.519 ( 2.377 0.730 0.000) 2.486 4.581 ( 0.641 0.814 0.000) 1.036 4.671 ( -1.922 -0.987 0.000) 2.161 4.686 ( -1.271 -0.248 0.000) 1.295 4.728 ( 2.580 -0.281 0.000) 2.596 4.736 ( 2.094 -0.060 0.000) 2.095 5.037 ( -1.671 1.660 0.000) 2.355 5.042 ( -1.224 1.780 0.000) 2.160 5.242 ( -0.582 2.713 0.000) 2.774 5.276 ( 1.081 3.071 0.000) 3.255 5.281 ( -1.480 1.172 0.000) 1.888 5.335 ( 3.268 0.135 0.000) 3.271 5.353 ( 0.523 1.589 0.000) 1.672 5.374 ( 2.273 -0.714 0.000) 2.383 5.392 ( 1.796 -0.237 0.000) 1.812 5.449 ( 0.062 0.251 0.000) 0.258 5.628 ( 7.987 -0.262 0.000) 7.991 5.670 ( 9.305 -0.129 0.000) 9.306 5.710 ( 0.206 0.907 0.000) 0.930 5.748 ( -0.654 -0.235 0.000) 0.695 6.005 ( -0.197 1.682 0.000) 1.694 6.105 ( -0.794 -0.246 0.000) 0.831 6.149 ( -0.011 -0.373 0.000) 0.373 6.230 ( -1.337 1.188 0.000) 1.789 6.267 ( -6.773 0.719 0.000) 6.811 6.280 ( -7.270 0.166 0.000) 7.272 ======================= Grid point 6 (7/98) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.731 0.149 0.000) 0.746 1.618 ( 0.455 -0.236 0.000) 0.512 1.651 ( -1.167 3.390 0.000) 3.586 1.731 ( 2.475 -0.464 0.000) 2.518 1.772 ( -1.683 2.076 0.000) 2.673 1.797 ( 2.375 0.262 0.000) 2.389 1.845 ( 1.275 1.059 0.000) 1.657 1.873 ( -1.209 2.090 0.000) 2.415 1.932 ( 0.083 1.985 0.000) 1.987 1.948 ( 0.465 0.435 0.000) 0.637 2.035 ( 1.700 -1.309 0.000) 2.146 2.165 ( 0.998 -0.305 0.000) 1.044 2.185 ( 0.791 0.430 0.000) 0.901 2.220 ( 1.372 1.875 0.000) 2.324 2.285 ( 0.837 -0.803 0.000) 1.160 2.334 ( 2.668 3.079 0.000) 4.074 2.424 ( 2.475 0.894 0.000) 2.631 2.443 ( -0.695 -1.587 0.000) 1.732 2.487 ( -0.701 -0.823 0.000) 1.081 2.542 ( -5.463 -4.469 0.000) 7.058 2.654 ( 2.945 -0.600 0.000) 3.006 2.738 ( -4.051 1.988 0.000) 4.512 2.783 ( -3.016 -0.487 0.000) 3.055 2.823 ( -2.541 0.502 0.000) 2.590 2.830 ( -1.774 1.356 0.000) 2.233 2.837 ( -1.530 0.087 0.000) 1.532 2.958 ( 1.290 -0.891 0.000) 1.568 3.006 ( -0.385 -0.327 0.000) 0.505 3.184 ( 3.163 0.060 0.000) 3.163 3.262 ( -2.209 -0.519 0.000) 2.270 3.372 ( 1.148 -0.172 0.000) 1.160 3.398 ( 1.080 -0.556 0.000) 1.215 3.553 ( 4.425 -0.033 0.000) 4.425 3.566 ( 4.780 -0.862 0.000) 4.857 3.591 ( 2.890 -0.021 0.000) 2.891 3.619 ( 4.083 -0.794 0.000) 4.160 4.346 ( -0.389 -0.187 0.000) 0.432 4.399 ( -0.276 0.104 0.000) 0.295 4.463 ( 0.793 -1.490 0.000) 1.688 4.501 ( 0.832 -0.731 0.000) 1.107 4.573 ( 3.199 0.325 0.000) 3.215 4.605 ( 2.023 0.132 0.000) 2.027 4.632 ( -2.561 -0.490 0.000) 2.607 4.650 ( -2.277 0.173 0.000) 2.284 4.770 ( 1.171 -0.172 0.000) 1.183 4.775 ( 1.592 -0.745 0.000) 1.758 5.003 ( -1.374 1.442 0.000) 1.992 5.008 ( -0.575 0.820 0.000) 1.001 5.223 ( -0.018 1.281 0.000) 1.281 5.245 ( -1.258 0.567 0.000) 1.380 5.296 ( 1.958 1.136 0.000) 2.263 5.339 ( -1.182 0.498 0.000) 1.282 5.385 ( 1.540 -0.098 0.000) 1.544 5.414 ( 1.178 -0.230 0.000) 1.200 5.420 ( 0.834 -0.164 0.000) 0.850 5.449 ( -0.004 -0.018 0.000) 0.018 5.709 ( 0.064 0.352 0.000) 0.358 5.739 ( -0.321 -0.034 0.000) 0.323 5.800 ( 8.487 -0.410 0.000) 8.497 5.843 ( 6.785 0.203 0.000) 6.788 5.993 ( 0.488 1.019 0.000) 1.130 6.069 ( -3.583 -0.790 0.000) 3.669 6.121 ( -7.829 0.286 0.000) 7.834 6.143 ( -0.414 -0.071 0.000) 0.420 6.160 ( -3.185 0.496 0.000) 3.224 6.208 ( -0.473 0.408 0.000) 0.625 ======================= Grid point 14 (8/98) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 18.061 0.000 0.000) 18.061 0.812 ( 21.570 0.000 0.000) 21.570 1.191 ( 10.662 0.000 0.000) 10.662 1.346 ( 4.368 0.000 0.000) 4.368 1.360 ( 11.415 0.000 0.000) 11.415 1.423 ( 33.508 0.000 0.000) 33.508 1.500 ( 0.798 0.000 0.000) 0.798 1.596 ( 10.334 0.000 0.000) 10.334 1.724 ( 9.785 0.000 0.000) 9.785 1.786 ( 1.772 0.000 0.000) 1.772 1.897 ( 3.433 0.000 0.000) 3.433 1.978 ( 8.933 0.000 0.000) 8.933 2.000 ( 12.282 0.000 0.000) 12.282 2.163 ( 3.558 0.000 0.000) 3.558 2.176 ( 4.232 0.000 0.000) 4.232 2.180 ( -2.776 -0.000 0.000) 2.776 2.206 ( 9.657 0.000 0.000) 9.657 2.306 ( 3.108 0.000 0.000) 3.108 2.349 ( 0.294 0.000 0.000) 0.294 2.387 ( -0.779 -0.000 0.000) 0.779 2.463 ( 5.185 0.000 0.000) 5.185 2.492 ( 4.802 0.000 0.000) 4.802 2.544 ( 6.815 0.000 0.000) 6.815 2.589 ( 3.651 0.000 0.000) 3.651 2.770 ( 3.954 0.000 0.000) 3.954 2.773 ( 6.900 0.000 0.000) 6.900 2.839 ( -0.184 -0.000 0.000) 0.184 2.924 ( 3.290 0.000 0.000) 3.290 2.945 ( 6.353 0.000 0.000) 6.353 3.014 ( -1.473 -0.000 0.000) 1.473 3.024 ( -2.766 -0.000 0.000) 2.766 3.265 ( 1.453 0.000 0.000) 1.453 3.289 ( 1.049 0.000 0.000) 1.049 3.399 ( 1.629 0.000 0.000) 1.629 3.435 ( -4.121 -0.000 0.000) 4.121 3.513 ( -5.720 -0.000 0.000) 5.720 4.117 ( 4.350 0.000 0.000) 4.350 4.140 ( 4.465 0.000 0.000) 4.465 4.187 ( 6.566 0.000 0.000) 6.566 4.466 ( -2.227 -0.000 0.000) 2.227 4.511 ( -1.636 -0.000 0.000) 1.636 4.562 ( 2.464 0.000 0.000) 2.464 4.619 ( 0.804 0.000 0.000) 0.804 4.620 ( 0.756 0.000 0.000) 0.756 4.695 ( -3.072 -0.000 0.000) 3.072 4.708 ( -0.393 -0.000 0.000) 0.393 5.059 ( 1.571 0.000 0.000) 1.571 5.138 ( 0.979 0.000 0.000) 0.979 5.171 ( 0.714 0.000 0.000) 0.714 5.253 ( 0.494 0.000 0.000) 0.494 5.278 ( -0.050 -0.000 0.000) 0.050 5.303 ( 1.412 0.000 0.000) 1.412 5.357 ( -0.840 -0.000 0.000) 0.840 5.378 ( 0.064 0.000 0.000) 0.064 5.428 ( -2.912 -0.000 0.000) 2.912 5.442 ( -5.765 -0.000 0.000) 5.765 5.503 ( -0.941 -0.000 0.000) 0.941 5.581 ( -3.108 -0.000 0.000) 3.108 5.681 ( 2.248 0.000 0.000) 2.248 5.691 ( 3.078 0.000 0.000) 3.078 5.905 ( 3.118 0.000 0.000) 3.118 6.063 ( 1.100 0.000 0.000) 1.100 6.092 ( 1.340 0.000 0.000) 1.340 6.383 ( -3.053 -0.000 0.000) 3.053 6.489 ( 0.151 0.000 0.000) 0.151 6.515 ( -1.696 -0.000 0.000) 1.696 ======================= Grid point 15 (9/98) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 15.158 -1.287 0.000) 15.212 1.205 ( 19.773 1.646 0.000) 19.842 1.419 ( 12.484 0.155 0.000) 12.485 1.465 ( 7.501 -1.382 0.000) 7.627 1.493 ( 4.171 -0.038 0.000) 4.171 1.526 ( 1.996 -0.079 0.000) 1.998 1.762 ( 10.010 1.822 0.000) 10.175 1.809 ( 1.945 0.590 0.000) 2.032 1.927 ( 1.584 1.102 0.000) 1.929 1.971 ( 12.081 0.677 0.000) 12.100 2.008 ( 19.721 1.583 0.000) 19.784 2.099 ( 2.080 3.084 0.000) 3.720 2.143 ( 0.468 -3.340 0.000) 3.372 2.146 ( 3.579 1.487 0.000) 3.876 2.202 ( 2.425 1.967 0.000) 3.123 2.266 ( 2.808 -3.290 0.000) 4.325 2.319 ( 1.348 0.412 0.000) 1.410 2.361 ( -2.153 -0.859 0.000) 2.318 2.393 ( 6.172 0.579 0.000) 6.199 2.414 ( 8.184 -3.499 0.000) 8.901 2.605 ( 8.982 -1.063 0.000) 9.044 2.663 ( 3.550 1.068 0.000) 3.707 2.676 ( 11.405 -1.624 0.000) 11.520 2.735 ( 11.994 -1.444 0.000) 12.081 2.805 ( -1.520 0.384 0.000) 1.568 2.858 ( 5.463 -0.148 0.000) 5.465 2.884 ( 4.568 0.979 0.000) 4.671 2.978 ( 1.060 3.101 0.000) 3.277 2.988 ( 0.094 1.129 0.000) 1.133 3.031 ( 7.195 -1.536 0.000) 7.357 3.060 ( 2.003 -3.488 0.000) 4.022 3.271 ( -2.948 0.455 0.000) 2.983 3.292 ( 1.245 0.303 0.000) 1.281 3.352 ( -4.027 -0.086 0.000) 4.028 3.386 ( -2.768 0.852 0.000) 2.896 3.402 ( -5.355 -0.706 0.000) 5.402 4.200 ( 4.276 -0.702 0.000) 4.333 4.236 ( 5.395 -0.559 0.000) 5.424 4.290 ( 3.983 -0.135 0.000) 3.986 4.435 ( -0.951 0.145 0.000) 0.962 4.493 ( -0.146 0.139 0.000) 0.202 4.602 ( 1.261 0.474 0.000) 1.347 4.645 ( 1.459 -0.020 0.000) 1.459 4.647 ( 2.094 0.287 0.000) 2.114 4.653 ( -0.109 -0.013 0.000) 0.110 4.699 ( -0.803 -0.784 0.000) 1.122 5.077 ( 0.358 0.193 0.000) 0.407 5.145 ( -0.635 0.296 0.000) 0.701 5.196 ( 1.974 -0.176 0.000) 1.981 5.276 ( 0.896 0.704 0.000) 1.140 5.276 ( 1.570 0.736 0.000) 1.734 5.333 ( 1.311 0.255 0.000) 1.336 5.346 ( -0.579 -0.134 0.000) 0.594 5.354 ( -2.949 0.046 0.000) 2.949 5.383 ( -1.389 0.462 0.000) 1.464 5.394 ( 2.003 -0.201 0.000) 2.013 5.495 ( 0.185 0.060 0.000) 0.195 5.527 ( -2.233 -0.023 0.000) 2.233 5.713 ( 1.419 1.201 0.000) 1.859 5.735 ( 1.087 -1.240 0.000) 1.648 5.968 ( 3.265 0.205 0.000) 3.271 6.093 ( 1.891 -0.125 0.000) 1.895 6.111 ( 0.803 0.555 0.000) 0.977 6.328 ( -2.480 0.591 0.000) 2.550 6.468 ( -3.075 0.347 0.000) 3.094 6.470 ( -2.280 0.109 0.000) 2.282 ======================= Grid point 16 (10/98) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 9.880 -0.900 0.000) 9.921 1.525 ( 14.242 2.776 0.000) 14.510 1.553 ( 2.864 0.036 0.000) 2.864 1.570 ( 3.410 -0.278 0.000) 3.422 1.634 ( 9.121 -1.553 0.000) 9.252 1.654 ( 10.903 1.015 0.000) 10.950 1.837 ( 1.344 1.290 0.000) 1.863 1.888 ( 3.644 1.820 0.000) 4.073 1.977 ( 4.100 1.861 0.000) 4.503 2.047 ( -3.206 1.490 0.000) 3.535 2.100 ( -0.981 6.317 0.000) 6.392 2.128 ( -0.064 7.552 0.000) 7.552 2.131 ( 5.428 3.938 0.000) 6.706 2.220 ( 3.351 -3.038 0.000) 4.523 2.267 ( -0.927 -3.879 0.000) 3.988 2.290 ( 1.471 0.498 0.000) 1.553 2.327 ( -1.708 -2.987 0.000) 3.441 2.332 ( 0.953 0.069 0.000) 0.956 2.511 ( 3.148 -0.693 0.000) 3.223 2.646 ( 0.731 -3.103 0.000) 3.188 2.685 ( -0.436 0.939 0.000) 1.036 2.711 ( 7.861 -2.635 0.000) 8.291 2.785 ( 1.262 -2.788 0.000) 3.060 2.879 ( -0.859 0.155 0.000) 0.873 2.920 ( 0.173 0.591 0.000) 0.616 2.932 ( 15.645 -1.678 0.000) 15.734 2.988 ( 4.246 -0.282 0.000) 4.255 3.031 ( -1.838 0.442 0.000) 1.890 3.086 ( 4.844 2.144 0.000) 5.297 3.095 ( 7.425 0.921 0.000) 7.481 3.129 ( 4.427 -0.520 0.000) 4.457 3.263 ( 6.313 1.071 0.000) 6.403 3.306 ( 0.787 -0.268 0.000) 0.831 3.316 ( -2.059 -0.662 0.000) 2.162 3.324 ( 2.292 -2.805 0.000) 3.623 3.353 ( -0.100 -1.472 0.000) 1.475 4.288 ( 4.194 -1.337 0.000) 4.402 4.341 ( 4.881 -0.853 0.000) 4.955 4.342 ( 1.496 -0.598 0.000) 1.611 4.424 ( -0.198 -0.142 0.000) 0.244 4.500 ( 0.976 0.417 0.000) 1.061 4.597 ( -0.522 0.630 0.000) 0.819 4.676 ( 1.900 0.017 0.000) 1.900 4.682 ( -0.297 -0.313 0.000) 0.432 4.686 ( 1.835 -0.053 0.000) 1.836 4.694 ( 1.548 -0.498 0.000) 1.626 5.074 ( -0.294 0.669 0.000) 0.731 5.106 ( -2.595 1.164 0.000) 2.844 5.247 ( 2.786 -0.502 0.000) 2.831 5.286 ( 0.904 1.138 0.000) 1.453 5.309 ( 1.237 1.968 0.000) 2.324 5.334 ( -0.631 0.558 0.000) 0.842 5.335 ( 0.642 0.255 0.000) 0.691 5.348 ( 1.368 0.155 0.000) 1.376 5.370 ( 0.300 0.601 0.000) 0.672 5.448 ( 1.661 0.426 0.000) 1.715 5.521 ( 2.852 -0.236 0.000) 2.862 5.525 ( 3.993 -0.138 0.000) 3.995 5.723 ( 0.459 1.269 0.000) 1.349 5.748 ( -0.164 -0.943 0.000) 0.957 6.015 ( 1.673 0.704 0.000) 1.815 6.115 ( -0.127 0.408 0.000) 0.427 6.128 ( 1.485 -0.276 0.000) 1.510 6.282 ( -2.023 0.862 0.000) 2.199 6.389 ( -5.006 0.401 0.000) 5.022 6.401 ( -4.923 0.167 0.000) 4.925 ======================= Grid point 17 (11/98) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 3.527 0.022 0.000) 3.527 1.594 ( 1.479 -0.303 0.000) 1.510 1.656 ( 4.893 -0.129 0.000) 4.895 1.692 ( 5.003 2.212 0.000) 5.470 1.811 ( 5.615 2.118 0.000) 6.001 1.813 ( 8.014 1.339 0.000) 8.125 1.842 ( -0.050 1.634 0.000) 1.635 1.903 ( -2.753 4.943 0.000) 5.658 1.950 ( -0.424 1.230 0.000) 1.301 1.974 ( -3.128 0.871 0.000) 3.247 2.064 ( -2.329 4.833 0.000) 5.365 2.114 ( 1.638 -0.417 0.000) 1.690 2.179 ( 2.042 2.207 0.000) 3.006 2.245 ( 0.217 2.009 0.000) 2.020 2.256 ( 0.479 -0.342 0.000) 0.588 2.340 ( 2.975 2.732 0.000) 4.040 2.366 ( 2.641 -4.554 0.000) 5.264 2.367 ( 3.782 0.232 0.000) 3.789 2.505 ( -3.143 -1.690 0.000) 3.568 2.571 ( -6.078 -4.703 0.000) 7.685 2.656 ( -1.403 1.072 0.000) 1.765 2.812 ( 0.023 -1.604 0.000) 1.604 2.823 ( -3.399 0.282 0.000) 3.411 2.880 ( 4.538 -2.227 0.000) 5.055 2.883 ( -3.441 -0.348 0.000) 3.459 2.922 ( -4.572 1.343 0.000) 4.765 2.958 ( -6.944 3.069 0.000) 7.592 3.026 ( -1.784 -0.172 0.000) 1.793 3.122 ( 2.499 1.150 0.000) 2.751 3.260 ( 6.524 -2.102 0.000) 6.854 3.320 ( 4.547 -0.524 0.000) 4.578 3.327 ( 2.603 -0.579 0.000) 2.667 3.385 ( 12.268 -0.522 0.000) 12.279 3.393 ( 4.929 -1.881 0.000) 5.276 3.456 ( 10.221 -1.381 0.000) 10.313 3.480 ( 8.478 -0.457 0.000) 8.490 4.344 ( 0.429 -0.232 0.000) 0.487 4.385 ( 2.923 -2.519 0.000) 3.859 4.404 ( 0.604 0.376 0.000) 0.711 4.443 ( 2.287 -1.834 0.000) 2.931 4.527 ( 2.271 0.670 0.000) 2.367 4.592 ( 0.559 0.964 0.000) 1.114 4.664 ( -1.441 -0.366 0.000) 1.487 4.686 ( -0.652 0.316 0.000) 0.725 4.724 ( 1.898 -0.465 0.000) 1.954 4.733 ( 1.897 -0.291 0.000) 1.919 5.053 ( -1.963 1.325 0.000) 2.368 5.058 ( -1.067 1.164 0.000) 1.579 5.265 ( -0.833 1.405 0.000) 1.634 5.289 ( -1.143 0.504 0.000) 1.249 5.306 ( 0.332 2.446 0.000) 2.468 5.338 ( 2.464 0.384 0.000) 2.494 5.360 ( 0.515 -0.636 0.000) 0.819 5.374 ( 1.942 0.900 0.000) 2.141 5.390 ( 1.701 -0.045 0.000) 1.701 5.451 ( -0.279 0.043 0.000) 0.283 5.625 ( 8.007 -0.163 0.000) 8.009 5.669 ( 9.419 -0.112 0.000) 9.420 5.720 ( -0.016 0.953 0.000) 0.953 5.745 ( -0.508 -0.435 0.000) 0.669 6.022 ( -0.245 1.283 0.000) 1.306 6.102 ( -1.244 -0.238 0.000) 1.267 6.146 ( 0.145 -0.252 0.000) 0.290 6.241 ( -1.676 0.842 0.000) 1.876 6.274 ( -6.709 0.551 0.000) 6.731 6.282 ( -7.347 0.100 0.000) 7.347 ======================= Grid point 18 (12/98) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.630 0.178 0.000) 0.655 1.615 ( 0.618 -0.231 0.000) 0.659 1.696 ( -2.694 4.450 0.000) 5.202 1.727 ( 2.095 -0.259 0.000) 2.111 1.796 ( -2.459 2.271 0.000) 3.347 1.804 ( -0.642 1.376 0.000) 1.519 1.857 ( 0.198 1.150 0.000) 1.167 1.892 ( -1.145 1.311 0.000) 1.740 1.943 ( -0.649 -1.346 0.000) 1.494 1.957 ( -1.446 2.404 0.000) 2.805 2.021 ( 1.981 -1.021 0.000) 2.228 2.134 ( -1.115 -4.762 0.000) 4.891 2.193 ( 0.445 1.045 0.000) 1.136 2.245 ( 0.059 1.882 0.000) 1.883 2.281 ( 1.807 0.148 0.000) 1.813 2.367 ( -0.587 2.436 0.000) 2.506 2.423 ( 1.367 -0.234 0.000) 1.387 2.424 ( 1.256 -1.898 0.000) 2.276 2.490 ( -0.213 -1.397 0.000) 1.413 2.505 ( 1.107 0.042 0.000) 1.107 2.648 ( 1.451 -0.463 0.000) 1.523 2.755 ( -3.963 1.131 0.000) 4.121 2.770 ( -3.166 -1.563 0.000) 3.531 2.813 ( -3.089 -1.218 0.000) 3.320 2.834 ( -3.404 -0.687 0.000) 3.472 2.855 ( -1.969 2.116 0.000) 2.890 2.957 ( 2.654 0.869 0.000) 2.792 3.008 ( 0.326 0.575 0.000) 0.661 3.186 ( 3.407 0.336 0.000) 3.424 3.256 ( -2.015 -0.679 0.000) 2.126 3.369 ( 1.225 -0.481 0.000) 1.316 3.392 ( 1.606 -0.519 0.000) 1.688 3.554 ( 4.810 0.114 0.000) 4.811 3.557 ( 6.104 -0.829 0.000) 6.160 3.591 ( 2.802 0.072 0.000) 2.803 3.609 ( 4.484 -0.869 0.000) 4.568 4.341 ( -0.410 -0.571 0.000) 0.703 4.398 ( -0.540 -0.187 0.000) 0.571 4.449 ( 2.351 -1.162 0.000) 2.623 4.492 ( 1.555 -0.929 0.000) 1.812 4.578 ( 3.015 0.444 0.000) 3.047 4.610 ( 1.819 0.686 0.000) 1.944 4.631 ( -1.923 0.346 0.000) 1.954 4.656 ( -1.860 1.039 0.000) 2.130 4.763 ( 1.546 -1.375 0.000) 2.068 4.766 ( 1.054 -0.610 0.000) 1.218 5.017 ( -1.888 1.036 0.000) 2.153 5.017 ( -1.668 0.936 0.000) 1.913 5.234 ( -1.407 0.679 0.000) 1.562 5.252 ( -1.708 0.607 0.000) 1.812 5.309 ( 0.818 1.156 0.000) 1.417 5.342 ( -1.781 0.064 0.000) 1.782 5.383 ( 1.494 -0.291 0.000) 1.522 5.411 ( 1.363 -0.116 0.000) 1.368 5.419 ( 1.047 0.019 0.000) 1.048 5.448 ( -0.063 -0.184 0.000) 0.194 5.714 ( -0.195 0.576 0.000) 0.609 5.737 ( -0.346 -0.256 0.000) 0.430 5.796 ( 8.368 -0.319 0.000) 8.374 5.845 ( 7.106 0.127 0.000) 7.107 6.005 ( -0.206 1.110 0.000) 1.129 6.061 ( -3.348 -0.755 0.000) 3.432 6.123 ( -8.037 0.184 0.000) 8.039 6.142 ( -0.329 -0.095 0.000) 0.342 6.165 ( -3.502 0.413 0.000) 3.526 6.213 ( -0.890 0.401 0.000) 0.976 ======================= Grid point 19 (13/98) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.848 -0.074 0.000) 0.852 1.620 ( -0.200 0.150 0.000) 0.250 1.628 ( -1.909 -0.677 0.000) 2.026 1.737 ( -3.075 0.696 0.000) 3.153 1.753 ( 0.773 -1.532 0.000) 1.715 1.789 ( -3.998 -1.555 0.000) 4.290 1.834 ( -2.363 -0.957 0.000) 2.549 1.852 ( 0.319 -1.424 0.000) 1.459 1.915 ( -2.414 -1.085 0.000) 2.647 1.935 ( -1.392 -1.863 0.000) 2.326 2.045 ( -1.210 0.428 0.000) 1.284 2.137 ( -0.669 -4.097 0.000) 4.151 2.185 ( -0.911 0.447 0.000) 1.015 2.218 ( -2.373 0.828 0.000) 2.513 2.297 ( 0.158 1.230 0.000) 1.240 2.304 ( -4.193 -2.442 0.000) 4.852 2.402 ( -3.664 -2.573 0.000) 4.477 2.459 ( 2.396 1.229 0.000) 2.692 2.513 ( 3.784 3.248 0.000) 4.986 2.590 ( 6.111 4.042 0.000) 7.327 2.660 ( -4.205 0.528 0.000) 4.238 2.714 ( 3.556 -2.471 0.000) 4.330 2.777 ( 3.168 -1.606 0.000) 3.552 2.807 ( 1.186 -1.557 0.000) 1.957 2.811 ( 0.328 -1.678 0.000) 1.709 2.849 ( 2.212 1.400 0.000) 2.618 2.971 ( -0.466 1.446 0.000) 1.519 3.017 ( 1.152 1.687 0.000) 2.043 3.185 ( -3.079 0.215 0.000) 3.087 3.266 ( 2.639 0.268 0.000) 2.653 3.372 ( -1.176 -0.202 0.000) 1.193 3.404 ( -0.538 0.452 0.000) 0.703 3.555 ( -4.280 0.386 0.000) 4.297 3.576 ( -3.781 0.980 0.000) 3.906 3.591 ( -2.726 -0.054 0.000) 2.727 3.625 ( -3.223 0.233 0.000) 3.231 4.344 ( 0.462 -0.439 0.000) 0.638 4.395 ( 0.076 -0.520 0.000) 0.525 4.480 ( 0.873 1.578 0.000) 1.803 4.506 ( -0.294 0.214 0.000) 0.364 4.572 ( -3.033 0.239 0.000) 3.043 4.609 ( -1.865 0.892 0.000) 2.067 4.641 ( 2.907 1.084 0.000) 3.103 4.653 ( 2.459 0.765 0.000) 2.575 4.769 ( -1.181 -0.412 0.000) 1.251 4.778 ( -1.128 -0.265 0.000) 1.159 4.988 ( -0.057 -1.276 0.000) 1.277 5.000 ( -0.262 -0.708 0.000) 0.755 5.209 ( -1.252 -1.364 0.000) 1.852 5.239 ( 0.391 -0.650 0.000) 0.758 5.285 ( -3.022 -0.988 0.000) 3.180 5.332 ( 0.323 -0.638 0.000) 0.715 5.385 ( -1.495 -0.166 0.000) 1.504 5.416 ( -0.922 0.138 0.000) 0.932 5.423 ( -0.632 0.327 0.000) 0.711 5.448 ( -0.017 -0.088 0.000) 0.090 5.707 ( -0.377 -0.044 0.000) 0.380 5.738 ( 0.326 -0.175 0.000) 0.370 5.804 ( -8.618 0.409 0.000) 8.627 5.840 ( -6.412 -0.246 0.000) 6.417 5.983 ( -1.255 -0.751 0.000) 1.463 6.078 ( 3.906 0.812 0.000) 3.989 6.117 ( 7.461 -0.403 0.000) 7.472 6.143 ( 0.516 0.011 0.000) 0.516 6.154 ( 2.915 -0.465 0.000) 2.952 6.204 ( 0.017 -0.297 0.000) 0.298 ======================= Grid point 20 (14/98) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -2.699 0.045 0.000) 2.700 1.604 ( -1.319 0.549 0.000) 1.429 1.605 ( -5.692 -5.634 0.000) 8.009 1.661 ( -4.614 0.300 0.000) 4.624 1.717 ( -2.964 -5.655 0.000) 6.384 1.756 ( -4.525 -2.500 0.000) 5.170 1.791 ( -1.221 -2.677 0.000) 2.942 1.834 ( -2.806 -0.656 0.000) 2.881 1.923 ( -0.620 -3.482 0.000) 3.536 1.931 ( 1.231 -5.750 0.000) 5.881 1.969 ( -5.862 0.496 0.000) 5.883 2.103 ( -6.035 -0.597 0.000) 6.064 2.156 ( -1.860 0.297 0.000) 1.884 2.186 ( 1.174 -2.544 0.000) 2.802 2.267 ( -1.690 -3.301 0.000) 3.709 2.292 ( 0.584 2.349 0.000) 2.421 2.366 ( -0.741 -0.511 0.000) 0.900 2.457 ( -1.689 3.671 0.000) 4.041 2.561 ( 2.764 3.111 0.000) 4.162 2.628 ( 0.817 -1.353 0.000) 1.580 2.677 ( 5.050 4.289 0.000) 6.625 2.797 ( 3.499 -2.404 0.000) 4.245 2.825 ( -0.404 -1.207 0.000) 1.273 2.856 ( 1.908 -2.868 0.000) 3.445 2.873 ( 2.658 -0.921 0.000) 2.813 2.923 ( 6.093 0.581 0.000) 6.120 2.950 ( 1.213 1.433 0.000) 1.877 3.033 ( 1.445 1.416 0.000) 2.023 3.114 ( -3.845 0.203 0.000) 3.850 3.301 ( 0.297 1.301 0.000) 1.335 3.321 ( -4.754 -0.894 0.000) 4.838 3.343 ( -7.167 1.652 0.000) 7.355 3.405 ( -10.480 0.956 0.000) 10.524 3.438 ( -6.824 1.877 0.000) 7.078 3.498 ( -6.004 1.092 0.000) 6.102 3.501 ( -7.756 2.470 0.000) 8.140 4.353 ( -0.025 0.274 0.000) 0.275 4.398 ( -0.422 -0.425 0.000) 0.599 4.457 ( -1.820 3.765 0.000) 4.182 4.479 ( -2.101 1.023 0.000) 2.337 4.514 ( -2.490 0.011 0.000) 2.490 4.578 ( -0.839 0.440 0.000) 0.948 4.684 ( 2.194 1.385 0.000) 2.595 4.692 ( 1.799 0.947 0.000) 2.033 4.730 ( -3.133 0.121 0.000) 3.135 4.734 ( -2.139 -0.259 0.000) 2.155 5.018 ( 1.443 -1.688 0.000) 2.220 5.020 ( 1.533 -2.288 0.000) 2.754 5.209 ( -0.033 -3.241 0.000) 3.241 5.241 ( -2.241 -3.218 0.000) 3.922 5.263 ( 1.196 -1.939 0.000) 2.278 5.334 ( -0.987 -1.870 0.000) 2.115 5.334 ( -3.533 -0.033 0.000) 3.533 5.382 ( -2.097 0.654 0.000) 2.197 5.395 ( -1.835 0.441 0.000) 1.888 5.445 ( -0.488 -0.391 0.000) 0.625 5.631 ( -7.933 0.310 0.000) 7.939 5.671 ( -9.187 0.102 0.000) 9.187 5.701 ( -0.438 -0.693 0.000) 0.820 5.750 ( 0.814 0.065 0.000) 0.816 5.987 ( 0.016 -1.673 0.000) 1.673 6.107 ( 0.309 0.199 0.000) 0.368 6.153 ( 0.251 0.437 0.000) 0.504 6.216 ( 0.864 -1.283 0.000) 1.546 6.259 ( 6.872 -0.721 0.000) 6.910 6.278 ( 7.204 -0.180 0.000) 7.206 ======================= Grid point 21 (15/98) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -7.016 2.053 0.000) 7.310 1.429 ( -14.327 -5.117 0.000) 15.213 1.554 ( -4.380 0.197 0.000) 4.384 1.577 ( -3.106 0.176 0.000) 3.111 1.627 ( -8.554 -0.782 0.000) 8.589 1.689 ( -4.220 1.947 0.000) 4.647 1.786 ( -1.567 -3.243 0.000) 3.602 1.799 ( -6.287 -5.291 0.000) 8.217 1.873 ( -2.551 -5.890 0.000) 6.418 1.930 ( -4.463 -8.850 0.000) 9.912 1.947 ( -0.758 -6.287 0.000) 6.332 2.038 ( 0.099 -0.018 0.000) 0.101 2.111 ( -2.435 0.919 0.000) 2.603 2.244 ( 2.417 -1.978 0.000) 3.124 2.256 ( -1.329 -3.659 0.000) 3.893 2.282 ( -0.914 3.031 0.000) 3.165 2.370 ( 0.935 1.457 0.000) 1.732 2.404 ( -0.735 3.117 0.000) 3.202 2.552 ( -3.340 3.046 0.000) 4.520 2.656 ( 0.243 -1.282 0.000) 1.304 2.718 ( 0.681 2.453 0.000) 2.546 2.770 ( -5.651 1.683 0.000) 5.896 2.851 ( -1.198 1.551 0.000) 1.960 2.866 ( 2.014 -1.133 0.000) 2.311 2.879 ( -1.410 -3.328 0.000) 3.614 2.995 ( -2.470 -0.220 0.000) 2.480 3.003 ( -8.081 3.081 0.000) 8.649 3.028 ( -10.283 3.595 0.000) 10.893 3.045 ( 3.923 -0.982 0.000) 4.044 3.100 ( -1.119 1.507 0.000) 1.877 3.138 ( -12.418 0.583 0.000) 12.432 3.249 ( -4.548 -0.574 0.000) 4.584 3.311 ( -2.079 -0.085 0.000) 2.081 3.335 ( -0.335 1.221 0.000) 1.266 3.387 ( -3.627 2.733 0.000) 4.541 3.398 ( -1.501 2.129 0.000) 2.604 4.325 ( -2.670 1.397 0.000) 3.014 4.367 ( -3.364 0.954 0.000) 3.497 4.382 ( -3.421 3.368 0.000) 4.801 4.431 ( -1.491 0.573 0.000) 1.597 4.487 ( -0.693 -0.526 0.000) 0.870 4.576 ( 0.449 -0.903 0.000) 1.008 4.663 ( -3.818 -1.150 0.000) 3.988 4.680 ( -2.495 -0.699 0.000) 2.591 4.706 ( -0.101 1.871 0.000) 1.874 4.725 ( 1.682 2.244 0.000) 2.805 5.052 ( 0.859 -1.172 0.000) 1.454 5.071 ( 2.924 -1.691 0.000) 3.378 5.233 ( 0.337 -3.226 0.000) 3.243 5.236 ( -0.999 -4.325 0.000) 4.439 5.260 ( -3.522 0.232 0.000) 3.529 5.304 ( 1.480 -2.283 0.000) 2.720 5.322 ( -0.908 -1.920 0.000) 2.124 5.341 ( -1.211 0.567 0.000) 1.337 5.358 ( -1.605 -0.127 0.000) 1.610 5.430 ( -1.671 -1.158 0.000) 2.033 5.527 ( -4.941 0.158 0.000) 4.943 5.534 ( -2.109 0.678 0.000) 2.215 5.695 ( -0.765 -1.164 0.000) 1.393 5.765 ( 0.874 0.630 0.000) 1.077 5.986 ( -1.283 -1.772 0.000) 2.187 6.102 ( -0.949 -0.680 0.000) 1.167 6.139 ( -1.438 0.647 0.000) 1.577 6.250 ( 1.566 -1.904 0.000) 2.465 6.376 ( 4.866 -0.697 0.000) 4.916 6.395 ( 4.782 -0.325 0.000) 4.793 ======================= Grid point 22 (16/98) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -12.288 5.423 0.000) 13.432 1.144 ( -17.232 -2.067 0.000) 17.355 1.416 ( -9.945 0.216 0.000) 9.947 1.496 ( -4.510 0.250 0.000) 4.517 1.533 ( -2.135 0.720 0.000) 2.254 1.547 ( -7.177 5.542 0.000) 9.067 1.665 ( -9.827 -5.840 0.000) 11.431 1.772 ( -1.557 -2.878 0.000) 3.272 1.815 ( -5.819 -7.120 0.000) 9.195 1.908 ( -7.586 -5.024 0.000) 9.099 1.989 ( 0.264 -9.624 0.000) 9.627 2.020 ( -2.763 0.335 0.000) 2.783 2.068 ( -1.490 0.437 0.000) 1.552 2.190 ( -8.507 -0.560 0.000) 8.526 2.214 ( -3.885 3.115 0.000) 4.980 2.291 ( -1.300 -1.374 0.000) 1.891 2.367 ( -0.864 3.711 0.000) 3.810 2.401 ( 1.259 2.117 0.000) 2.463 2.403 ( -5.925 0.943 0.000) 6.000 2.556 ( -11.103 8.846 0.000) 14.196 2.622 ( -4.898 -2.195 0.000) 5.367 2.654 ( -7.865 2.682 0.000) 8.310 2.766 ( -14.430 5.028 0.000) 15.281 2.784 ( -4.358 -0.690 0.000) 4.412 2.800 ( -9.832 3.864 0.000) 10.564 2.832 ( -4.688 -3.075 0.000) 5.606 2.853 ( 0.278 -0.464 0.000) 0.541 2.928 ( -4.002 -0.131 0.000) 4.004 2.957 ( -0.609 -1.504 0.000) 1.622 3.080 ( -2.476 2.326 0.000) 3.397 3.151 ( 2.977 3.749 0.000) 4.788 3.242 ( 1.267 -2.131 0.000) 2.479 3.273 ( -1.959 -1.416 0.000) 2.417 3.356 ( -1.056 -1.846 0.000) 2.126 3.358 ( 1.961 0.527 0.000) 2.031 3.419 ( 5.096 0.660 0.000) 5.139 4.240 ( -4.649 2.536 0.000) 5.296 4.268 ( -5.392 2.075 0.000) 5.777 4.302 ( -4.091 1.192 0.000) 4.262 4.423 ( -0.043 -0.939 0.000) 0.940 4.484 ( -0.072 -0.705 0.000) 0.709 4.578 ( -3.117 -1.440 0.000) 3.433 4.621 ( 1.041 -2.181 0.000) 2.417 4.632 ( -2.727 -1.133 0.000) 2.953 4.678 ( -1.484 2.056 0.000) 2.535 4.741 ( 1.266 2.705 0.000) 2.987 5.068 ( 0.355 -0.471 0.000) 0.590 5.130 ( 1.745 -0.951 0.000) 1.987 5.203 ( -1.837 0.124 0.000) 1.841 5.234 ( -1.065 -2.766 0.000) 2.963 5.245 ( -0.486 -1.407 0.000) 1.489 5.317 ( -0.737 -1.179 0.000) 1.390 5.348 ( 2.269 -0.205 0.000) 2.279 5.354 ( 2.108 0.119 0.000) 2.112 5.355 ( 1.117 -1.955 0.000) 2.252 5.401 ( -0.322 0.215 0.000) 0.387 5.491 ( 0.318 -0.309 0.000) 0.443 5.531 ( 1.706 0.422 0.000) 1.758 5.682 ( -1.494 -1.409 0.000) 2.054 5.768 ( -0.198 1.580 0.000) 1.592 5.953 ( -2.962 -1.242 0.000) 3.212 6.082 ( -1.850 -1.836 0.000) 2.606 6.100 ( -2.001 0.492 0.000) 2.061 6.294 ( 1.943 -2.286 0.000) 3.000 6.452 ( 2.664 -0.957 0.000) 2.830 6.463 ( 2.165 -0.437 0.000) 2.208 ======================= Grid point 23 (17/98) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -17.479 2.913 0.000) 17.720 0.831 ( -14.956 8.348 0.000) 17.128 1.223 ( -8.866 3.168 0.000) 9.415 1.378 ( -9.013 1.182 0.000) 9.090 1.394 ( -5.905 3.044 0.000) 6.643 1.499 ( -1.199 0.038 0.000) 1.200 1.500 ( -12.637 -4.745 0.000) 13.498 1.582 ( -20.573 9.204 0.000) 22.538 1.729 ( -7.461 -0.128 0.000) 7.462 1.774 ( -2.109 -1.139 0.000) 2.397 1.877 ( -5.172 -0.280 0.000) 5.180 1.971 ( -7.573 -5.343 0.000) 9.268 1.988 ( -7.882 0.994 0.000) 7.944 2.082 ( -2.648 -4.186 0.000) 4.953 2.161 ( 0.214 -1.422 0.000) 1.438 2.178 ( -7.884 2.075 0.000) 8.152 2.326 ( -4.914 2.084 0.000) 5.338 2.333 ( -4.943 7.031 0.000) 8.595 2.383 ( -0.031 1.453 0.000) 1.453 2.406 ( 0.043 1.402 0.000) 1.403 2.486 ( -6.971 2.343 0.000) 7.354 2.512 ( -7.076 2.536 0.000) 7.517 2.530 ( -4.870 -1.216 0.000) 5.020 2.622 ( -5.107 2.466 0.000) 5.671 2.743 ( -2.596 -3.240 0.000) 4.152 2.758 ( -5.091 -0.410 0.000) 5.107 2.821 ( -4.700 0.136 0.000) 4.702 2.886 ( -0.631 -1.762 0.000) 1.871 2.946 ( -1.966 0.672 0.000) 2.077 3.034 ( 0.325 2.556 0.000) 2.576 3.147 ( 0.196 5.730 0.000) 5.733 3.252 ( -1.465 -3.114 0.000) 3.442 3.259 ( -0.000 -0.466 0.000) 0.466 3.343 ( -2.158 -4.544 0.000) 5.030 3.427 ( 3.863 -0.843 0.000) 3.954 3.515 ( 4.656 -0.111 0.000) 4.658 4.136 ( -4.785 1.721 0.000) 5.085 4.158 ( -4.799 1.587 0.000) 5.054 4.197 ( -6.338 0.930 0.000) 6.406 4.419 ( -2.172 -3.874 0.000) 4.442 4.492 ( 0.365 -1.503 0.000) 1.547 4.515 ( -4.056 -3.091 0.000) 5.100 4.601 ( -1.177 -1.708 0.000) 2.074 4.637 ( -1.512 2.157 0.000) 2.634 4.701 ( 6.058 -0.784 0.000) 6.108 4.744 ( 0.614 2.728 0.000) 2.796 5.071 ( 0.128 0.792 0.000) 0.802 5.135 ( -0.663 -0.177 0.000) 0.687 5.192 ( 0.255 1.507 0.000) 1.528 5.232 ( -0.348 -1.601 0.000) 1.638 5.242 ( -0.396 -1.937 0.000) 1.977 5.305 ( -0.513 0.248 0.000) 0.569 5.378 ( 0.673 -0.088 0.000) 0.678 5.393 ( 2.492 1.991 0.000) 3.189 5.410 ( 3.325 -1.410 0.000) 3.612 5.456 ( 5.347 1.141 0.000) 5.467 5.511 ( 1.691 0.708 0.000) 1.834 5.581 ( 3.237 0.081 0.000) 3.238 5.652 ( -2.411 -1.346 0.000) 2.761 5.732 ( -2.547 2.337 0.000) 3.457 5.898 ( -3.068 -0.815 0.000) 3.175 6.051 ( -2.812 -3.065 0.000) 4.159 6.068 ( -0.915 0.474 0.000) 1.030 6.350 ( 2.452 -2.791 0.000) 3.716 6.484 ( -0.080 -0.414 0.000) 0.421 6.491 ( 0.722 -1.576 0.000) 1.733 ======================= Grid point 24 (18/98) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -14.169 10.821 0.000) 17.828 0.490 ( -14.241 12.530 0.000) 18.968 0.944 ( -28.720 20.168 0.000) 35.094 1.051 ( -7.758 3.227 0.000) 8.403 1.141 ( -10.431 6.712 0.000) 12.404 1.315 ( -1.702 -0.769 0.000) 1.868 1.398 ( -5.345 -1.152 0.000) 5.467 1.489 ( -0.033 -0.500 0.000) 0.502 1.629 ( -2.125 0.909 0.000) 2.311 1.768 ( -0.219 -0.602 0.000) 0.640 1.778 ( -6.133 -1.091 0.000) 6.229 1.815 ( -7.663 1.245 0.000) 7.764 1.827 ( -7.730 3.842 0.000) 8.632 1.957 ( -9.141 -2.403 0.000) 9.452 2.096 ( -0.149 0.032 0.000) 0.153 2.208 ( 2.436 -3.223 0.000) 4.040 2.213 ( -1.853 2.948 0.000) 3.482 2.264 ( -2.709 1.531 0.000) 3.112 2.363 ( -2.557 3.123 0.000) 4.036 2.394 ( -0.606 0.078 0.000) 0.611 2.403 ( 0.059 -0.490 0.000) 0.493 2.445 ( -1.178 -0.331 0.000) 1.224 2.463 ( -2.114 0.414 0.000) 2.154 2.567 ( -0.576 1.801 0.000) 1.890 2.646 ( -5.707 0.982 0.000) 5.791 2.699 ( -5.589 -4.241 0.000) 7.016 2.726 ( -2.484 1.472 0.000) 2.887 2.885 ( -0.181 -1.115 0.000) 1.129 2.898 ( -1.688 2.057 0.000) 2.661 3.048 ( 1.339 0.702 0.000) 1.512 3.143 ( 2.784 3.640 0.000) 4.583 3.235 ( -1.575 -2.431 0.000) 2.897 3.267 ( 1.638 3.404 0.000) 3.778 3.325 ( -1.724 -3.679 0.000) 4.063 3.493 ( 2.410 -0.863 0.000) 2.560 3.590 ( 2.751 -1.029 0.000) 2.937 4.048 ( -3.458 0.976 0.000) 3.593 4.068 ( -5.993 0.919 0.000) 6.063 4.075 ( -3.055 0.862 0.000) 3.174 4.347 ( -12.291 -13.243 0.000) 18.068 4.471 ( -2.061 -3.501 0.000) 4.063 4.514 ( 0.574 -3.051 0.000) 3.104 4.599 ( -0.869 3.208 0.000) 3.323 4.601 ( -0.043 -1.792 0.000) 1.792 4.737 ( 0.176 2.428 0.000) 2.435 4.855 ( 10.437 1.858 0.000) 10.601 5.071 ( 1.831 4.165 0.000) 4.549 5.128 ( 0.062 0.539 0.000) 0.543 5.185 ( 0.203 2.235 0.000) 2.244 5.237 ( -0.008 -1.401 0.000) 1.401 5.251 ( 0.008 -2.279 0.000) 2.279 5.298 ( 0.072 1.219 0.000) 1.222 5.388 ( 0.452 0.676 0.000) 0.814 5.418 ( 1.766 3.902 0.000) 4.283 5.475 ( 2.641 -0.493 0.000) 2.687 5.526 ( 1.967 1.264 0.000) 2.338 5.567 ( 4.420 0.810 0.000) 4.493 5.609 ( -2.576 -1.009 0.000) 2.766 5.635 ( 2.185 0.251 0.000) 2.199 5.659 ( -3.156 1.861 0.000) 3.664 5.860 ( -1.035 -0.640 0.000) 1.217 6.001 ( -5.537 -5.665 0.000) 7.921 6.057 ( -0.101 0.777 0.000) 0.784 6.412 ( 2.092 -3.050 0.000) 3.699 6.470 ( -1.295 -0.148 0.000) 1.303 6.495 ( -1.809 -2.884 0.000) 3.404 ======================= Grid point 25 (19/98) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 0.000 20.027 0.000) 20.027 0.233 ( 0.000 21.149 0.000) 21.149 0.391 ( 0.000 35.776 0.000) 35.776 0.921 ( 0.000 3.328 0.000) 3.328 1.015 ( 0.000 6.666 0.000) 6.666 1.324 ( 0.000 2.595 0.000) 2.595 1.348 ( -0.000 -7.600 0.000) 7.600 1.495 ( -0.000 -0.650 0.000) 0.650 1.610 ( 0.000 0.452 0.000) 0.452 1.701 ( 0.000 9.154 0.000) 9.154 1.709 ( -0.000 -0.307 0.000) 0.307 1.721 ( 0.000 0.613 0.000) 0.613 1.775 ( 0.000 0.147 0.000) 0.147 1.874 ( -0.000 -2.300 0.000) 2.300 2.117 ( -0.000 -2.974 0.000) 2.974 2.165 ( 0.000 1.814 0.000) 1.814 2.231 ( 0.000 0.198 0.000) 0.198 2.256 ( -0.000 -2.695 0.000) 2.695 2.304 ( 0.000 4.008 0.000) 4.008 2.389 ( -0.000 -0.511 0.000) 0.511 2.431 ( 0.000 0.080 0.000) 0.080 2.434 ( -0.000 -0.932 0.000) 0.932 2.444 ( 0.000 0.212 0.000) 0.212 2.556 ( 0.000 3.047 0.000) 3.047 2.571 ( -0.000 -0.030 0.000) 0.030 2.630 ( -0.000 -0.784 0.000) 0.784 2.704 ( 0.000 1.080 0.000) 1.080 2.871 ( 0.000 1.672 0.000) 1.672 2.891 ( -0.000 -0.997 0.000) 0.997 3.061 ( 0.000 0.148 0.000) 0.148 3.209 ( -0.000 -3.202 0.000) 3.202 3.228 ( -0.000 -1.422 0.000) 1.422 3.293 ( 0.000 2.276 0.000) 2.276 3.401 ( -0.000 -2.669 0.000) 2.669 3.522 ( -0.000 -0.613 0.000) 0.613 3.624 ( -0.000 -1.060 0.000) 1.060 3.998 ( 0.000 0.694 0.000) 0.694 4.003 ( 0.000 0.744 0.000) 0.744 4.008 ( 0.000 0.635 0.000) 0.635 4.041 ( 0.000 0.603 0.000) 0.603 4.473 ( -0.000 -3.921 0.000) 3.921 4.540 ( -0.000 -3.485 0.000) 3.485 4.571 ( 0.000 3.939 0.000) 3.939 4.610 ( -0.000 -1.214 0.000) 1.214 4.726 ( 0.000 1.893 0.000) 1.893 4.995 ( -0.000 -1.990 0.000) 1.990 5.125 ( 0.000 1.059 0.000) 1.059 5.176 ( 0.000 2.050 0.000) 2.050 5.191 ( -0.000 -0.956 0.000) 0.956 5.250 ( -0.000 -1.789 0.000) 1.789 5.265 ( -0.000 -2.378 0.000) 2.378 5.293 ( 0.000 1.551 0.000) 1.551 5.388 ( 0.000 0.850 0.000) 0.850 5.414 ( 0.000 3.871 0.000) 3.871 5.504 ( 0.000 0.063 0.000) 0.063 5.569 ( -0.000 -0.365 0.000) 0.365 5.581 ( -0.000 -0.344 0.000) 0.344 5.612 ( 0.000 0.505 0.000) 0.505 5.620 ( 0.000 0.585 0.000) 0.585 5.655 ( 0.000 0.085 0.000) 0.085 5.828 ( 0.000 0.049 0.000) 0.049 5.860 ( 0.000 0.370 0.000) 0.370 6.052 ( 0.000 0.714 0.000) 0.714 6.446 ( 0.000 0.032 0.000) 0.032 6.449 ( -0.000 -2.441 0.000) 2.441 6.453 ( 0.000 0.040 0.000) 0.040 ======================= Grid point 28 (20/98) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 10.279 0.000 0.000) 10.279 1.540 ( 13.805 0.000 0.000) 13.805 1.553 ( 2.508 0.000 0.000) 2.508 1.568 ( 3.700 0.000 0.000) 3.700 1.625 ( 9.759 0.000 0.000) 9.759 1.660 ( 11.097 0.000 0.000) 11.097 1.844 ( 1.321 0.000 0.000) 1.321 1.897 ( 2.590 0.000 0.000) 2.590 1.987 ( 5.109 0.000 0.000) 5.109 2.053 ( -3.049 -0.000 0.000) 3.049 2.145 ( -3.461 -0.000 0.000) 3.461 2.174 ( 2.088 0.000 0.000) 2.088 2.185 ( 7.434 0.000 0.000) 7.434 2.186 ( 0.209 0.000 0.000) 0.209 2.222 ( 0.864 0.000 0.000) 0.864 2.290 ( 2.386 0.000 0.000) 2.386 2.309 ( -2.678 -0.000 0.000) 2.678 2.335 ( 0.653 0.000 0.000) 0.653 2.508 ( 2.810 0.000 0.000) 2.810 2.627 ( 1.977 0.000 0.000) 1.977 2.690 ( -0.483 -0.000 0.000) 0.483 2.696 ( 7.604 0.000 0.000) 7.604 2.769 ( 1.341 0.000 0.000) 1.341 2.879 ( -0.655 -0.000 0.000) 0.655 2.923 ( -0.100 -0.000 0.000) 0.100 2.923 ( 15.886 0.000 0.000) 15.886 2.987 ( 4.393 0.000 0.000) 4.393 3.032 ( -3.967 -0.000 0.000) 3.967 3.101 ( 13.677 0.000 0.000) 13.677 3.101 ( 9.639 0.000 0.000) 9.639 3.124 ( -4.798 -0.000 0.000) 4.798 3.273 ( 9.581 0.000 0.000) 9.581 3.304 ( -0.368 -0.000 0.000) 0.368 3.306 ( 0.217 0.000 0.000) 0.217 3.310 ( -2.368 -0.000 0.000) 2.368 3.345 ( -0.286 -0.000 0.000) 0.286 4.281 ( 4.339 0.000 0.000) 4.339 4.336 ( 5.044 0.000 0.000) 5.044 4.339 ( 1.287 0.000 0.000) 1.287 4.424 ( -0.399 -0.000 0.000) 0.399 4.503 ( 1.031 0.000 0.000) 1.031 4.600 ( -0.466 -0.000 0.000) 0.466 4.676 ( 1.609 0.000 0.000) 1.609 4.680 ( -0.949 -0.000 0.000) 0.949 4.686 ( 2.104 0.000 0.000) 2.104 4.692 ( 2.298 0.000 0.000) 2.298 5.078 ( -0.239 -0.000 0.000) 0.239 5.112 ( -2.555 -0.000 0.000) 2.555 5.244 ( 2.769 0.000 0.000) 2.769 5.292 ( 0.992 0.000 0.000) 0.992 5.319 ( 1.247 0.000 0.000) 1.247 5.337 ( -0.545 -0.000 0.000) 0.545 5.340 ( -0.366 -0.000 0.000) 0.366 5.346 ( 2.382 0.000 0.000) 2.382 5.373 ( 0.126 0.000 0.000) 0.126 5.451 ( 1.644 0.000 0.000) 1.644 5.520 ( 2.845 0.000 0.000) 2.845 5.524 ( 3.958 0.000 0.000) 3.958 5.734 ( 0.482 0.000 0.000) 0.482 5.739 ( -0.125 -0.000 0.000) 0.125 6.019 ( 1.765 0.000 0.000) 1.765 6.117 ( -0.312 -0.000 0.000) 0.312 6.127 ( 1.496 0.000 0.000) 1.496 6.286 ( -2.094 -0.000 0.000) 2.094 6.392 ( -5.038 -0.000 0.000) 5.038 6.402 ( -4.945 -0.000 0.000) 4.945 ======================= Grid point 29 (21/98) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 3.751 0.012 0.000) 3.751 1.592 ( 1.518 -0.105 0.000) 1.522 1.655 ( 4.938 -0.038 0.000) 4.938 1.708 ( 4.780 0.725 0.000) 4.835 1.820 ( 9.262 0.268 0.000) 9.266 1.828 ( 6.082 0.841 0.000) 6.140 1.854 ( -0.249 0.573 0.000) 0.624 1.917 ( -0.016 -0.252 0.000) 0.253 1.978 ( -4.297 0.081 0.000) 4.298 2.007 ( -4.049 6.856 0.000) 7.962 2.069 ( -2.213 -3.863 0.000) 4.452 2.126 ( -4.030 2.061 0.000) 4.526 2.198 ( 0.976 0.892 0.000) 1.322 2.254 ( 1.356 -0.086 0.000) 1.359 2.267 ( 0.672 2.149 0.000) 2.252 2.319 ( 3.986 -3.819 0.000) 5.520 2.361 ( 3.308 1.086 0.000) 3.482 2.375 ( 5.455 0.694 0.000) 5.499 2.493 ( -3.259 -0.513 0.000) 3.299 2.532 ( -6.153 -2.147 0.000) 6.517 2.665 ( -1.609 0.426 0.000) 1.664 2.800 ( 0.484 -0.566 0.000) 0.744 2.823 ( -3.546 -0.041 0.000) 3.546 2.856 ( 3.119 -1.475 0.000) 3.450 2.880 ( -3.791 -0.141 0.000) 3.793 2.939 ( -2.104 1.036 0.000) 2.346 2.983 ( -7.269 1.309 0.000) 7.386 3.023 ( -1.453 -0.324 0.000) 1.488 3.135 ( 0.915 0.804 0.000) 1.218 3.242 ( 8.872 -1.038 0.000) 8.933 3.316 ( 3.736 -0.168 0.000) 3.739 3.320 ( 3.013 -0.479 0.000) 3.051 3.378 ( 4.447 -0.740 0.000) 4.508 3.382 ( 11.923 -0.099 0.000) 11.923 3.446 ( 10.925 -0.472 0.000) 10.935 3.477 ( 9.286 -0.121 0.000) 9.287 4.345 ( 0.017 0.306 0.000) 0.306 4.364 ( 3.551 -1.286 0.000) 3.776 4.410 ( 0.246 0.777 0.000) 0.815 4.425 ( 2.684 -1.343 0.000) 3.002 4.532 ( 2.217 0.246 0.000) 2.231 4.599 ( 0.539 0.394 0.000) 0.667 4.662 ( -1.060 -0.027 0.000) 1.060 4.690 ( -0.153 0.304 0.000) 0.341 4.719 ( 1.361 -0.314 0.000) 1.397 4.731 ( 1.734 -0.177 0.000) 1.743 5.064 ( -2.187 0.524 0.000) 2.249 5.067 ( -1.019 0.411 0.000) 1.099 5.273 ( -0.571 0.207 0.000) 0.607 5.294 ( -1.012 0.288 0.000) 1.052 5.328 ( -0.064 1.483 0.000) 1.484 5.341 ( 1.804 0.213 0.000) 1.817 5.349 ( 0.874 -0.982 0.000) 1.315 5.383 ( 1.427 0.477 0.000) 1.505 5.390 ( 1.590 0.009 0.000) 1.590 5.450 ( -0.492 -0.032 0.000) 0.493 5.624 ( 8.002 -0.053 0.000) 8.003 5.668 ( 9.494 -0.045 0.000) 9.494 5.730 ( -0.243 0.793 0.000) 0.830 5.739 ( -0.331 -0.599 0.000) 0.684 6.032 ( -0.200 0.491 0.000) 0.530 6.100 ( -1.551 -0.109 0.000) 1.555 6.144 ( 0.224 -0.089 0.000) 0.241 6.248 ( -1.855 0.305 0.000) 1.880 6.279 ( -6.600 0.232 0.000) 6.604 6.282 ( -7.477 0.008 0.000) 7.477 ======================= Grid point 30 (22/98) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.565 0.122 0.000) 0.578 1.613 ( 0.692 -0.139 0.000) 0.706 1.725 ( 1.889 -0.112 0.000) 1.893 1.734 ( -1.310 2.107 0.000) 2.481 1.818 ( -2.810 1.618 0.000) 3.242 1.835 ( -5.233 4.256 0.000) 6.745 1.872 ( -0.843 1.647 0.000) 1.850 1.901 ( -2.354 0.408 0.000) 2.389 1.922 ( -1.316 -2.417 0.000) 2.752 1.976 ( 1.370 1.110 0.000) 1.763 2.016 ( -0.911 -0.186 0.000) 0.929 2.074 ( -2.370 -5.517 0.000) 6.005 2.203 ( 0.102 0.677 0.000) 0.685 2.257 ( -0.810 0.501 0.000) 0.952 2.288 ( 1.990 0.909 0.000) 2.188 2.384 ( -3.878 1.157 0.000) 4.047 2.404 ( 3.204 -1.662 0.000) 3.610 2.418 ( -0.931 -1.292 0.000) 1.593 2.474 ( 2.827 -0.021 0.000) 2.827 2.523 ( 5.786 1.658 0.000) 6.019 2.644 ( 0.223 -0.221 0.000) 0.314 2.755 ( -3.777 -1.119 0.000) 3.939 2.763 ( -3.473 0.357 0.000) 3.491 2.803 ( -3.323 -0.610 0.000) 3.378 2.820 ( -3.340 -1.434 0.000) 3.635 2.875 ( -2.793 1.372 0.000) 3.112 2.972 ( 2.647 1.424 0.000) 3.005 3.014 ( 1.126 0.337 0.000) 1.175 3.190 ( 3.765 0.398 0.000) 3.785 3.248 ( -2.108 -0.558 0.000) 2.181 3.363 ( 1.383 -0.415 0.000) 1.444 3.388 ( 1.987 -0.324 0.000) 2.013 3.548 ( 7.382 -0.622 0.000) 7.408 3.555 ( 5.253 0.051 0.000) 5.253 3.593 ( 2.564 0.139 0.000) 2.568 3.602 ( 4.438 -0.488 0.000) 4.465 4.335 ( -0.534 -0.409 0.000) 0.673 4.396 ( -0.831 -0.161 0.000) 0.847 4.438 ( 3.469 -0.711 0.000) 3.541 4.483 ( 2.164 -0.650 0.000) 2.260 4.581 ( 2.610 0.188 0.000) 2.616 4.617 ( 1.477 0.481 0.000) 1.553 4.638 ( -1.098 0.730 0.000) 1.318 4.670 ( -1.203 1.342 0.000) 1.802 4.747 ( 1.160 -1.389 0.000) 1.810 4.758 ( 0.854 -0.634 0.000) 1.063 5.024 ( -1.766 0.471 0.000) 1.828 5.028 ( -2.724 0.685 0.000) 2.809 5.238 ( -2.309 0.155 0.000) 2.314 5.258 ( -1.979 0.465 0.000) 2.032 5.321 ( -0.190 1.078 0.000) 1.094 5.339 ( -1.824 -0.488 0.000) 1.889 5.380 ( 1.405 -0.227 0.000) 1.423 5.411 ( 1.281 0.063 0.000) 1.282 5.420 ( 1.193 0.058 0.000) 1.195 5.445 ( -0.080 -0.225 0.000) 0.239 5.721 ( -0.362 0.651 0.000) 0.745 5.733 ( -0.373 -0.451 0.000) 0.585 5.793 ( 8.285 -0.171 0.000) 8.287 5.846 ( 7.315 0.056 0.000) 7.315 6.016 ( -0.638 0.869 0.000) 1.078 6.053 ( -3.240 -0.613 0.000) 3.297 6.125 ( -8.141 0.091 0.000) 8.142 6.141 ( -0.279 -0.065 0.000) 0.287 6.168 ( -3.746 0.234 0.000) 3.753 6.216 ( -1.173 0.249 0.000) 1.199 ======================= Grid point 31 (23/98) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.953 -0.013 0.000) 0.953 1.621 ( 0.063 0.043 0.000) 0.076 1.637 ( -5.180 2.152 0.000) 5.609 1.739 ( -0.049 -0.883 0.000) 0.884 1.745 ( -3.814 0.775 0.000) 3.892 1.762 ( -5.352 -3.318 0.000) 6.297 1.825 ( -3.247 -0.687 0.000) 3.319 1.840 ( -1.400 -1.221 0.000) 1.857 1.909 ( -4.044 -0.113 0.000) 4.046 1.912 ( -1.717 -2.054 0.000) 2.677 2.040 ( -1.395 -1.170 0.000) 1.820 2.103 ( 2.712 -1.772 0.000) 3.240 2.192 ( -0.948 0.700 0.000) 1.178 2.227 ( -2.656 0.659 0.000) 2.737 2.280 ( -6.480 -2.034 0.000) 6.792 2.310 ( 0.817 1.062 0.000) 1.340 2.377 ( -2.526 -1.829 0.000) 3.118 2.470 ( 3.716 0.845 0.000) 3.811 2.547 ( 3.916 2.775 0.000) 4.800 2.627 ( 6.109 2.896 0.000) 6.760 2.665 ( -4.634 0.305 0.000) 4.644 2.688 ( 2.368 -2.082 0.000) 3.153 2.752 ( 2.983 -2.618 0.000) 3.969 2.793 ( 1.017 -0.948 0.000) 1.390 2.797 ( 0.184 -0.963 0.000) 0.981 2.863 ( 1.982 1.002 0.000) 2.221 2.986 ( -0.426 1.108 0.000) 1.187 3.038 ( 1.684 1.852 0.000) 2.503 3.188 ( -3.161 0.330 0.000) 3.178 3.268 ( 3.173 0.066 0.000) 3.173 3.369 ( -1.224 -0.320 0.000) 1.265 3.408 ( -0.098 0.268 0.000) 0.285 3.561 ( -4.410 0.602 0.000) 4.451 3.587 ( -3.191 1.118 0.000) 3.381 3.590 ( -2.366 -0.219 0.000) 2.376 3.623 ( -2.218 -0.449 0.000) 2.263 4.338 ( 0.544 -0.621 0.000) 0.826 4.389 ( -0.086 -0.601 0.000) 0.607 4.495 ( 2.135 1.016 0.000) 2.365 4.506 ( -0.083 -0.141 0.000) 0.164 4.578 ( -2.388 0.694 0.000) 2.487 4.621 ( -1.148 1.094 0.000) 1.586 4.655 ( 3.026 1.370 0.000) 3.322 4.666 ( 2.363 1.737 0.000) 2.932 4.761 ( -1.193 -0.915 0.000) 1.503 4.769 ( -0.409 -1.338 0.000) 1.399 4.976 ( -1.695 -0.791 0.000) 1.870 4.994 ( -1.097 -0.480 0.000) 1.197 5.196 ( -2.175 -0.970 0.000) 2.382 5.232 ( -0.562 -0.600 0.000) 0.822 5.275 ( -3.813 -0.684 0.000) 3.874 5.326 ( -0.474 -0.514 0.000) 0.699 5.382 ( -1.400 -0.238 0.000) 1.420 5.416 ( -0.768 0.009 0.000) 0.768 5.426 ( -0.491 0.293 0.000) 0.572 5.447 ( 0.046 -0.089 0.000) 0.100 5.708 ( -0.691 0.187 0.000) 0.716 5.735 ( 0.387 -0.290 0.000) 0.483 5.808 ( -8.738 0.303 0.000) 8.743 5.838 ( -6.082 -0.208 0.000) 6.085 5.977 ( -1.901 -0.432 0.000) 1.949 6.086 ( 4.305 0.793 0.000) 4.377 6.112 ( 6.914 -0.521 0.000) 6.934 6.143 ( 0.597 -0.031 0.000) 0.598 6.150 ( 2.792 -0.326 0.000) 2.811 6.202 ( -0.360 -0.154 0.000) 0.391 ======================= Grid point 32 (24/98) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -2.292 0.082 0.000) 2.294 1.544 ( -7.029 -5.252 0.000) 8.774 1.610 ( -1.244 0.520 0.000) 1.348 1.662 ( -4.670 -4.357 0.000) 6.387 1.664 ( -4.452 0.147 0.000) 4.455 1.733 ( -3.516 -1.795 0.000) 3.947 1.764 ( -2.495 -2.151 0.000) 3.295 1.830 ( -2.813 -0.275 0.000) 2.827 1.875 ( 0.245 -4.418 0.000) 4.425 1.885 ( -2.020 -3.342 0.000) 3.905 1.975 ( -6.178 0.765 0.000) 6.226 2.097 ( -6.965 -0.872 0.000) 7.019 2.162 ( 1.907 -1.526 0.000) 2.442 2.163 ( -1.583 0.850 0.000) 1.797 2.237 ( -1.096 -2.151 0.000) 2.414 2.318 ( 1.010 2.177 0.000) 2.400 2.358 ( -0.092 -0.890 0.000) 0.895 2.493 ( -1.782 2.909 0.000) 3.412 2.594 ( 2.569 2.792 0.000) 3.795 2.615 ( 0.919 -1.091 0.000) 1.427 2.717 ( 4.506 3.139 0.000) 5.492 2.764 ( 3.369 -3.334 0.000) 4.740 2.811 ( -0.030 -1.094 0.000) 1.094 2.830 ( 1.639 -1.714 0.000) 2.371 2.855 ( 3.867 -2.328 0.000) 4.514 2.931 ( 5.365 0.664 0.000) 5.406 2.962 ( 0.135 0.992 0.000) 1.001 3.054 ( 1.104 2.046 0.000) 2.325 3.117 ( -3.833 0.302 0.000) 3.844 3.312 ( -5.332 -0.809 0.000) 5.393 3.312 ( 1.334 0.762 0.000) 1.537 3.362 ( -5.865 1.690 0.000) 6.104 3.413 ( -10.180 0.525 0.000) 10.193 3.455 ( -7.953 1.160 0.000) 8.037 3.510 ( -5.017 0.991 0.000) 5.114 3.527 ( -6.477 2.189 0.000) 6.836 4.354 ( 0.443 -0.140 0.000) 0.464 4.392 ( -0.289 -0.645 0.000) 0.706 4.484 ( -2.002 -0.026 0.000) 2.002 4.489 ( -2.107 1.513 0.000) 2.594 4.528 ( -1.553 2.882 0.000) 3.274 4.591 ( -1.034 1.826 0.000) 2.098 4.698 ( 1.260 0.934 0.000) 1.568 4.704 ( 1.234 1.097 0.000) 1.651 4.731 ( -1.098 -0.180 0.000) 1.112 4.732 ( -2.459 0.366 0.000) 2.486 4.993 ( 1.864 -2.592 0.000) 3.192 5.000 ( 1.255 -1.631 0.000) 2.058 5.176 ( -0.748 -2.727 0.000) 2.828 5.209 ( -3.543 -2.637 0.000) 4.416 5.241 ( 0.583 -2.119 0.000) 2.198 5.314 ( -1.343 -1.660 0.000) 2.136 5.333 ( -3.524 -0.095 0.000) 3.525 5.388 ( -1.877 0.439 0.000) 1.928 5.400 ( -1.851 0.463 0.000) 1.908 5.441 ( -0.966 -0.367 0.000) 1.033 5.634 ( -7.865 0.275 0.000) 7.870 5.672 ( -9.086 0.057 0.000) 9.086 5.695 ( -0.678 -0.401 0.000) 0.787 5.750 ( 0.994 -0.043 0.000) 0.995 5.970 ( -0.238 -1.315 0.000) 1.336 6.109 ( -0.137 0.136 0.000) 0.193 6.158 ( 0.610 0.441 0.000) 0.753 6.203 ( 0.273 -1.127 0.000) 1.159 6.252 ( 7.007 -0.570 0.000) 7.030 6.277 ( 7.147 -0.148 0.000) 7.149 ======================= Grid point 33 (25/98) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -5.043 2.005 0.000) 5.427 1.378 ( -12.332 -3.988 0.000) 12.960 1.556 ( -5.163 0.022 0.000) 5.164 1.578 ( -3.941 0.175 0.000) 3.945 1.626 ( -5.811 0.697 0.000) 5.852 1.664 ( -0.399 -6.505 0.000) 6.517 1.748 ( -1.866 -3.631 0.000) 4.083 1.773 ( -6.343 0.039 0.000) 6.343 1.822 ( -5.878 -3.950 0.000) 7.082 1.850 ( -5.770 -4.438 0.000) 7.280 1.880 ( -1.831 -5.965 0.000) 6.240 2.039 ( 0.117 -0.136 0.000) 0.179 2.123 ( -2.041 1.122 0.000) 2.329 2.205 ( -0.112 -4.628 0.000) 4.629 2.235 ( 0.840 -0.401 0.000) 0.931 2.315 ( -0.365 3.166 0.000) 3.187 2.377 ( 1.399 0.002 0.000) 1.399 2.431 ( -1.800 1.810 0.000) 2.552 2.589 ( -2.902 3.560 0.000) 4.593 2.646 ( 0.242 -0.544 0.000) 0.596 2.735 ( -1.601 0.631 0.000) 1.721 2.783 ( -3.258 0.876 0.000) 3.374 2.837 ( 0.103 -4.101 0.000) 4.102 2.853 ( 0.907 -1.426 0.000) 1.690 2.853 ( -2.278 -0.933 0.000) 2.461 2.995 ( -2.416 0.271 0.000) 2.431 3.030 ( -3.277 2.414 0.000) 4.070 3.040 ( 4.777 -0.177 0.000) 4.780 3.078 ( -3.144 3.729 0.000) 4.878 3.127 ( -8.101 3.965 0.000) 9.019 3.147 ( -11.814 1.129 0.000) 11.868 3.240 ( -5.463 -1.110 0.000) 5.574 3.309 ( -2.562 -0.271 0.000) 2.576 3.346 ( -1.923 0.563 0.000) 2.004 3.414 ( -3.719 2.186 0.000) 4.314 3.420 ( -2.598 1.919 0.000) 3.230 4.338 ( -2.062 1.034 0.000) 2.307 4.372 ( -2.303 0.114 0.000) 2.306 4.419 ( -3.931 2.837 0.000) 4.848 4.438 ( -2.231 0.681 0.000) 2.333 4.488 ( -0.973 1.155 0.000) 1.510 4.570 ( -0.330 -0.133 0.000) 0.356 4.649 ( -4.502 -1.410 0.000) 4.718 4.668 ( -2.986 -1.449 0.000) 3.319 4.730 ( 0.304 2.531 0.000) 2.550 4.751 ( 2.252 2.589 0.000) 3.432 5.040 ( 1.587 -0.986 0.000) 1.868 5.053 ( 3.149 -1.539 0.000) 3.505 5.188 ( -0.795 -4.460 0.000) 4.530 5.196 ( 0.872 -3.325 0.000) 3.437 5.262 ( -3.481 0.105 0.000) 3.482 5.276 ( 1.646 -2.805 0.000) 3.252 5.299 ( -1.009 -2.173 0.000) 2.396 5.349 ( -1.239 0.804 0.000) 1.477 5.359 ( -2.059 0.182 0.000) 2.068 5.417 ( -1.684 -1.295 0.000) 2.124 5.528 ( -5.291 0.095 0.000) 5.292 5.541 ( -1.786 0.693 0.000) 1.916 5.684 ( -0.928 -0.901 0.000) 1.294 5.771 ( 1.268 0.487 0.000) 1.358 5.967 ( -1.260 -1.790 0.000) 2.189 6.095 ( -1.459 -0.563 0.000) 1.564 6.146 ( -1.458 0.720 0.000) 1.626 6.229 ( 1.321 -1.909 0.000) 2.321 6.369 ( 4.828 -0.579 0.000) 4.863 6.392 ( 4.706 -0.290 0.000) 4.714 ======================= Grid point 34 (26/98) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -13.195 1.408 0.000) 13.270 1.196 ( -9.972 6.332 0.000) 11.813 1.422 ( -7.725 0.758 0.000) 7.762 1.500 ( -4.348 0.684 0.000) 4.402 1.544 ( -2.673 1.218 0.000) 2.937 1.576 ( -11.643 -3.736 0.000) 12.228 1.640 ( -4.160 4.804 0.000) 6.355 1.735 ( -1.534 -3.870 0.000) 4.163 1.740 ( -5.520 -6.668 0.000) 8.656 1.849 ( -5.247 -5.699 0.000) 7.746 1.873 ( 1.241 -11.064 0.000) 11.133 2.021 ( -3.256 -0.520 0.000) 3.297 2.076 ( -2.194 0.891 0.000) 2.368 2.187 ( -4.238 -0.684 0.000) 4.293 2.248 ( -4.805 3.180 0.000) 5.762 2.268 ( -0.137 -2.173 0.000) 2.177 2.395 ( 0.461 0.907 0.000) 1.018 2.420 ( 0.846 1.193 0.000) 1.462 2.422 ( -9.825 2.730 0.000) 10.197 2.599 ( -5.579 -2.144 0.000) 5.977 2.646 ( -9.165 6.819 0.000) 11.424 2.678 ( -5.487 1.252 0.000) 5.628 2.776 ( -10.791 0.802 0.000) 10.821 2.800 ( -4.725 -2.503 0.000) 5.347 2.820 ( -8.819 3.446 0.000) 9.468 2.842 ( -6.445 3.522 0.000) 7.344 2.866 ( -2.650 3.509 0.000) 4.397 2.936 ( -4.265 1.587 0.000) 4.550 2.942 ( -1.729 -1.071 0.000) 2.033 3.103 ( -0.122 1.913 0.000) 1.917 3.185 ( 4.323 2.334 0.000) 4.913 3.215 ( 0.187 -2.692 0.000) 2.699 3.254 ( -2.862 -2.062 0.000) 3.527 3.334 ( -2.981 -2.048 0.000) 3.616 3.365 ( 0.293 0.704 0.000) 0.763 3.425 ( 4.270 0.334 0.000) 4.283 4.266 ( -4.469 2.204 0.000) 4.983 4.290 ( -5.176 2.011 0.000) 5.553 4.321 ( -4.609 2.253 0.000) 5.130 4.412 ( -1.033 -0.929 0.000) 1.390 4.476 ( -0.478 -0.735 0.000) 0.877 4.562 ( -4.304 -1.511 0.000) 4.561 4.594 ( 1.340 -2.623 0.000) 2.946 4.616 ( -3.189 -1.777 0.000) 3.651 4.702 ( -1.509 2.332 0.000) 2.778 4.772 ( 1.410 2.906 0.000) 3.230 5.064 ( 0.782 -0.144 0.000) 0.795 5.119 ( 2.373 -0.965 0.000) 2.562 5.198 ( -2.030 -1.135 0.000) 2.326 5.202 ( -0.129 -2.994 0.000) 2.997 5.239 ( 0.943 0.290 0.000) 0.987 5.303 ( 0.126 -1.393 0.000) 1.399 5.332 ( 1.465 -2.282 0.000) 2.712 5.344 ( 2.294 -0.605 0.000) 2.372 5.356 ( 1.509 0.230 0.000) 1.527 5.402 ( 0.859 0.048 0.000) 0.861 5.488 ( 0.569 -0.406 0.000) 0.698 5.537 ( 1.438 0.720 0.000) 1.608 5.667 ( -1.515 -1.230 0.000) 1.952 5.785 ( 0.380 1.436 0.000) 1.486 5.937 ( -2.876 -1.763 0.000) 3.374 6.063 ( -2.471 -1.596 0.000) 2.942 6.106 ( -2.096 0.536 0.000) 2.164 6.268 ( 1.577 -2.428 0.000) 2.895 6.442 ( 2.484 -0.818 0.000) 2.615 6.458 ( 2.117 -0.428 0.000) 2.160 ======================= Grid point 35 (27/98) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -11.539 8.937 0.000) 14.596 0.933 ( -12.312 10.241 0.000) 16.015 1.267 ( -6.813 5.059 0.000) 8.486 1.389 ( -7.496 0.861 0.000) 7.545 1.390 ( -9.593 -3.759 0.000) 10.303 1.495 ( -8.349 3.815 0.000) 9.179 1.501 ( -1.422 0.377 0.000) 1.471 1.650 ( -8.960 2.946 0.000) 9.432 1.719 ( -3.782 -1.854 0.000) 4.212 1.758 ( -3.268 -1.688 0.000) 3.679 1.878 ( -7.624 -2.870 0.000) 8.147 1.921 ( -7.336 -1.258 0.000) 7.443 2.002 ( -6.883 1.554 0.000) 7.056 2.037 ( -4.958 -2.867 0.000) 5.727 2.146 ( -2.671 -1.377 0.000) 3.006 2.199 ( -5.489 1.163 0.000) 5.610 2.336 ( -2.260 0.212 0.000) 2.270 2.392 ( 0.154 0.783 0.000) 0.798 2.420 ( -0.616 1.107 0.000) 1.267 2.423 ( -7.626 8.450 0.000) 11.383 2.514 ( -3.550 -1.796 0.000) 3.978 2.517 ( -7.931 3.303 0.000) 8.591 2.552 ( -8.576 4.903 0.000) 9.879 2.648 ( -5.997 2.354 0.000) 6.442 2.707 ( -3.622 -2.889 0.000) 4.633 2.763 ( -3.484 1.636 0.000) 3.849 2.829 ( -4.392 0.996 0.000) 4.504 2.871 ( -0.549 -0.771 0.000) 0.947 2.946 ( -0.607 -0.729 0.000) 0.948 3.072 ( -0.288 4.274 0.000) 4.284 3.191 ( -2.026 1.874 0.000) 2.760 3.214 ( -1.886 -3.864 0.000) 4.299 3.254 ( 1.654 -0.511 0.000) 1.731 3.289 ( -2.742 -5.027 0.000) 5.727 3.414 ( 3.351 -1.477 0.000) 3.663 3.513 ( 4.171 -0.314 0.000) 4.183 4.158 ( -5.159 2.200 0.000) 5.609 4.178 ( -5.075 2.032 0.000) 5.466 4.210 ( -6.252 1.380 0.000) 6.402 4.375 ( -5.106 -4.094 0.000) 6.544 4.475 ( -0.338 -1.706 0.000) 1.739 4.485 ( -4.280 -2.434 0.000) 4.924 4.579 ( -1.696 -2.360 0.000) 2.906 4.662 ( -1.126 2.282 0.000) 2.545 4.685 ( 6.496 -1.995 0.000) 6.796 4.775 ( 0.609 2.911 0.000) 2.974 5.078 ( 0.948 0.496 0.000) 1.070 5.133 ( -0.526 -0.223 0.000) 0.572 5.201 ( 1.266 -0.360 0.000) 1.316 5.213 ( -0.052 -1.794 0.000) 1.794 5.233 ( -0.694 0.663 0.000) 0.959 5.309 ( 0.309 0.477 0.000) 0.568 5.377 ( 1.041 -0.225 0.000) 1.065 5.392 ( 3.842 -1.404 0.000) 4.090 5.413 ( 3.889 1.362 0.000) 4.120 5.470 ( 5.286 1.309 0.000) 5.446 5.520 ( 2.489 0.883 0.000) 2.641 5.583 ( 3.339 0.303 0.000) 3.353 5.638 ( -2.238 -1.188 0.000) 2.534 5.757 ( -2.315 2.367 0.000) 3.311 5.884 ( -3.277 -1.714 0.000) 3.699 6.019 ( -3.372 -2.619 0.000) 4.269 6.074 ( -0.711 0.581 0.000) 0.918 6.316 ( 1.894 -3.264 0.000) 3.773 6.475 ( 0.437 -1.236 0.000) 1.311 6.479 ( -0.028 -0.451 0.000) 0.452 ======================= Grid point 36 (28/98) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -7.070 16.846 0.000) 18.269 0.643 ( -10.155 15.082 0.000) 18.182 1.100 ( -7.841 5.538 0.000) 9.599 1.156 ( -18.584 16.128 0.000) 24.606 1.219 ( -6.314 7.218 0.000) 9.589 1.291 ( -4.746 -0.587 0.000) 4.782 1.438 ( -4.787 7.659 0.000) 9.032 1.485 ( -0.213 -0.090 0.000) 0.231 1.642 ( -2.157 1.601 0.000) 2.686 1.757 ( 0.026 -1.691 0.000) 1.691 1.767 ( -5.609 -0.865 0.000) 5.675 1.819 ( -4.119 -4.362 0.000) 5.999 1.831 ( -7.781 1.623 0.000) 7.949 1.930 ( -8.648 -3.143 0.000) 9.202 2.133 ( -0.557 5.476 0.000) 5.504 2.166 ( 1.728 -4.296 0.000) 4.630 2.243 ( -3.260 2.744 0.000) 4.261 2.288 ( -4.553 3.094 0.000) 5.504 2.393 ( -0.129 1.360 0.000) 1.366 2.393 ( -1.449 -0.280 0.000) 1.476 2.406 ( -1.842 1.857 0.000) 2.616 2.444 ( -1.954 0.607 0.000) 2.046 2.471 ( -1.472 0.973 0.000) 1.764 2.581 ( -1.019 0.813 0.000) 1.303 2.657 ( -4.043 -3.513 0.000) 5.356 2.669 ( -4.329 3.287 0.000) 5.435 2.745 ( -2.347 1.969 0.000) 3.063 2.869 ( -0.581 -1.813 0.000) 1.904 2.920 ( -1.399 1.566 0.000) 2.100 3.063 ( 0.903 2.266 0.000) 2.439 3.160 ( -0.004 0.152 0.000) 0.152 3.202 ( -1.183 -3.391 0.000) 3.591 3.266 ( -1.198 -6.563 0.000) 6.671 3.308 ( 3.138 2.673 0.000) 4.122 3.479 ( 2.188 -1.811 0.000) 2.841 3.578 ( 2.327 -1.020 0.000) 2.541 4.061 ( -3.620 1.468 0.000) 3.906 4.080 ( -5.908 1.297 0.000) 6.049 4.087 ( -3.302 1.290 0.000) 3.545 4.238 ( -13.151 -7.215 0.000) 15.000 4.437 ( -2.193 -2.821 0.000) 3.574 4.481 ( -0.179 -2.812 0.000) 2.818 4.576 ( -0.266 -2.754 0.000) 2.767 4.633 ( -0.383 2.996 0.000) 3.021 4.765 ( 0.090 2.775 0.000) 2.776 4.849 ( 8.677 -2.125 0.000) 8.933 5.104 ( 2.938 1.759 0.000) 3.424 5.131 ( 0.257 -0.177 0.000) 0.312 5.211 ( 0.307 2.322 0.000) 2.342 5.221 ( -0.002 -1.463 0.000) 1.463 5.232 ( 0.371 -1.194 0.000) 1.250 5.312 ( 0.561 1.468 0.000) 1.571 5.394 ( 0.736 0.454 0.000) 0.865 5.462 ( 2.736 3.918 0.000) 4.779 5.470 ( 3.297 -0.247 0.000) 3.306 5.540 ( 2.262 1.276 0.000) 2.598 5.579 ( 4.087 1.285 0.000) 4.284 5.599 ( -2.226 -0.818 0.000) 2.372 5.639 ( 2.323 0.525 0.000) 2.381 5.681 ( -3.770 2.131 0.000) 4.331 5.845 ( -1.788 -2.280 0.000) 2.897 5.955 ( -5.285 -2.573 0.000) 5.878 6.067 ( 0.211 1.132 0.000) 1.151 6.372 ( 1.654 -4.100 0.000) 4.421 6.468 ( -1.104 -0.175 0.000) 1.118 6.472 ( -1.537 -1.438 0.000) 2.105 ======================= Grid point 37 (29/98) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 0.000 19.500 0.000) 19.500 0.454 ( 0.000 19.616 0.000) 19.616 0.770 ( 0.000 33.941 0.000) 33.941 0.971 ( 0.000 5.640 0.000) 5.640 1.110 ( 0.000 10.319 0.000) 10.319 1.272 ( -0.000 -5.673 0.000) 5.673 1.364 ( 0.000 4.645 0.000) 4.645 1.487 ( -0.000 -0.581 0.000) 0.581 1.619 ( 0.000 1.152 0.000) 1.152 1.705 ( -0.000 -0.318 0.000) 0.318 1.730 ( 0.000 1.074 0.000) 1.074 1.774 ( -0.000 -0.567 0.000) 0.567 1.783 ( 0.000 4.069 0.000) 4.069 1.843 ( -0.000 -3.400 0.000) 3.400 2.109 ( 0.000 2.900 0.000) 2.900 2.188 ( 0.000 2.233 0.000) 2.233 2.216 ( -0.000 -4.522 0.000) 4.522 2.233 ( 0.000 0.004 0.000) 0.004 2.352 ( 0.000 4.773 0.000) 4.773 2.381 ( -0.000 -0.929 0.000) 0.929 2.421 ( -0.000 -1.482 0.000) 1.482 2.431 ( -0.000 -0.003 0.000) 0.003 2.451 ( 0.000 1.114 0.000) 1.114 2.571 ( -0.000 -0.048 0.000) 0.048 2.599 ( 0.000 4.666 0.000) 4.666 2.618 ( -0.000 -1.320 0.000) 1.320 2.719 ( 0.000 1.566 0.000) 1.566 2.875 ( -0.000 -1.996 0.000) 1.996 2.893 ( 0.000 2.239 0.000) 2.239 3.066 ( 0.000 0.917 0.000) 0.917 3.177 ( -0.000 -2.495 0.000) 2.495 3.207 ( -0.000 -2.484 0.000) 2.484 3.290 ( -0.000 -3.982 0.000) 3.982 3.376 ( -0.000 -1.015 0.000) 1.015 3.510 ( -0.000 -1.546 0.000) 1.546 3.609 ( -0.000 -1.578 0.000) 1.578 4.008 ( 0.000 1.211 0.000) 1.211 4.014 ( 0.000 1.311 0.000) 1.311 4.018 ( 0.000 1.144 0.000) 1.144 4.050 ( 0.000 1.079 0.000) 1.079 4.433 ( -0.000 -3.427 0.000) 3.427 4.499 ( -0.000 -3.793 0.000) 3.793 4.589 ( -0.000 -2.530 0.000) 2.530 4.612 ( 0.000 3.528 0.000) 3.528 4.751 ( 0.000 2.570 0.000) 2.570 4.965 ( -0.000 -3.464 0.000) 3.464 5.135 ( 0.000 0.457 0.000) 0.457 5.177 ( -0.000 -1.688 0.000) 1.688 5.202 ( 0.000 2.469 0.000) 2.469 5.231 ( -0.000 -1.653 0.000) 1.653 5.242 ( -0.000 -1.416 0.000) 1.416 5.312 ( 0.000 1.808 0.000) 1.808 5.398 ( 0.000 0.852 0.000) 0.852 5.464 ( 0.000 4.869 0.000) 4.869 5.507 ( 0.000 0.688 0.000) 0.688 5.565 ( -0.000 -0.503 0.000) 0.503 5.576 ( -0.000 -0.432 0.000) 0.432 5.619 ( 0.000 0.744 0.000) 0.744 5.628 ( 0.000 0.853 0.000) 0.853 5.658 ( 0.000 0.479 0.000) 0.479 5.820 ( -0.000 -1.406 0.000) 1.406 5.873 ( 0.000 1.989 0.000) 1.989 6.063 ( 0.000 1.296 0.000) 1.296 6.413 ( -0.000 -4.130 0.000) 4.130 6.447 ( 0.000 0.058 0.000) 0.058 6.454 ( 0.000 0.070 0.000) 0.070 ======================= Grid point 42 (30/98) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.543 0.000 0.000) 0.543 1.612 ( 0.711 0.000 0.000) 0.711 1.724 ( 1.824 0.000 0.000) 1.824 1.744 ( -0.547 -0.000 0.000) 0.547 1.828 ( -2.773 -0.000 0.000) 2.773 1.870 ( -6.161 -0.000 0.000) 6.161 1.893 ( -4.218 -0.000 0.000) 4.218 1.896 ( 1.303 0.000 0.000) 1.303 1.901 ( -5.069 -0.000 0.000) 5.069 1.990 ( 5.708 0.000 0.000) 5.708 2.000 ( -3.995 -0.000 0.000) 3.995 2.044 ( -2.821 -0.000 0.000) 2.821 2.207 ( 0.046 0.000 0.000) 0.046 2.259 ( -1.021 -0.000 0.000) 1.021 2.295 ( 1.609 0.000 0.000) 1.609 2.394 ( 4.262 0.000 0.000) 4.262 2.397 ( -4.324 -0.000 0.000) 4.324 2.402 ( -2.807 -0.000 0.000) 2.807 2.478 ( 5.366 0.000 0.000) 5.366 2.533 ( 6.266 0.000 0.000) 6.266 2.643 ( -0.255 -0.000 0.000) 0.255 2.749 ( -4.241 -0.000 0.000) 4.241 2.765 ( -3.146 -0.000 0.000) 3.146 2.800 ( -3.520 -0.000 0.000) 3.520 2.811 ( -2.898 -0.000 0.000) 2.898 2.883 ( -3.115 -0.000 0.000) 3.115 2.981 ( 2.220 0.000 0.000) 2.220 3.015 ( 1.668 0.000 0.000) 1.668 3.193 ( 3.991 0.000 0.000) 3.991 3.245 ( -2.256 -0.000 0.000) 2.256 3.361 ( 1.467 0.000 0.000) 1.467 3.386 ( 2.125 0.000 0.000) 2.125 3.545 ( 7.912 0.000 0.000) 7.912 3.555 ( 5.442 0.000 0.000) 5.442 3.593 ( 2.449 0.000 0.000) 2.449 3.599 ( 4.359 0.000 0.000) 4.359 4.333 ( -0.616 -0.000 0.000) 0.616 4.395 ( -0.972 -0.000 0.000) 0.972 4.434 ( 3.883 0.000 0.000) 3.883 4.479 ( 2.410 0.000 0.000) 2.410 4.582 ( 2.424 0.000 0.000) 2.424 4.620 ( 1.315 0.000 0.000) 1.315 4.643 ( -0.709 -0.000 0.000) 0.709 4.679 ( -0.810 -0.000 0.000) 0.810 4.738 ( 0.881 0.000 0.000) 0.881 4.755 ( 0.735 0.000 0.000) 0.735 5.027 ( -1.944 -0.000 0.000) 1.944 5.032 ( -2.856 -0.000 0.000) 2.856 5.239 ( -2.549 -0.000 0.000) 2.549 5.261 ( -2.129 -0.000 0.000) 2.129 5.331 ( -0.081 -0.000 0.000) 0.081 5.333 ( -2.243 -0.000 0.000) 2.243 5.378 ( 1.360 0.000 0.000) 1.360 5.412 ( 1.162 0.000 0.000) 1.162 5.420 ( 1.243 0.000 0.000) 1.243 5.444 ( -0.066 -0.000 0.000) 0.066 5.727 ( -0.736 -0.000 0.000) 0.736 5.728 ( -0.067 -0.000 0.000) 0.067 5.792 ( 8.255 0.000 0.000) 8.255 5.846 ( 7.385 0.000 0.000) 7.385 6.021 ( -0.723 -0.000 0.000) 0.723 6.049 ( -3.270 -0.000 0.000) 3.270 6.125 ( -8.173 -0.000 0.000) 8.173 6.141 ( -0.264 -0.000 0.000) 0.264 6.170 ( -3.836 -0.000 0.000) 3.836 6.218 ( -1.273 -0.000 0.000) 1.273 ======================= Grid point 43 (31/98) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -1.014 0.003 0.000) 1.014 1.621 ( 0.218 -0.001 0.000) 0.218 1.672 ( -7.887 4.035 0.000) 8.859 1.720 ( -6.751 -4.325 0.000) 8.018 1.733 ( -0.425 -0.285 0.000) 0.512 1.752 ( -4.558 0.389 0.000) 4.574 1.820 ( -3.710 -0.250 0.000) 3.718 1.827 ( -1.627 -0.757 0.000) 1.794 1.895 ( -1.621 -0.911 0.000) 1.859 1.910 ( -4.675 0.149 0.000) 4.677 2.029 ( -0.477 -0.602 0.000) 0.768 2.094 ( 4.348 -0.244 0.000) 4.355 2.198 ( -0.951 0.316 0.000) 1.002 2.231 ( -2.055 0.137 0.000) 2.060 2.264 ( -8.745 -0.821 0.000) 8.784 2.318 ( 1.101 0.416 0.000) 1.177 2.364 ( -1.626 -0.593 0.000) 1.731 2.476 ( 4.492 0.316 0.000) 4.503 2.568 ( 3.657 1.078 0.000) 3.812 2.651 ( 6.355 1.357 0.000) 6.498 2.667 ( -0.778 -0.016 0.000) 0.778 2.672 ( -2.460 -0.714 0.000) 2.561 2.728 ( 2.362 -1.550 0.000) 2.825 2.786 ( 1.019 -0.315 0.000) 1.067 2.790 ( 0.511 -0.279 0.000) 0.582 2.870 ( 1.763 0.357 0.000) 1.799 2.994 ( -0.541 0.399 0.000) 0.672 3.053 ( 1.902 0.775 0.000) 2.054 3.191 ( -3.303 0.163 0.000) 3.307 3.268 ( 3.575 -0.004 0.000) 3.575 3.366 ( -1.242 -0.145 0.000) 1.251 3.410 ( 0.151 0.083 0.000) 0.172 3.567 ( -4.831 0.355 0.000) 4.844 3.587 ( -1.834 -0.191 0.000) 1.844 3.599 ( -3.424 0.911 0.000) 3.543 3.616 ( -1.055 -0.708 0.000) 1.271 4.333 ( 0.586 -0.273 0.000) 0.647 4.384 ( -0.188 -0.256 0.000) 0.318 4.502 ( 2.649 0.296 0.000) 2.666 4.505 ( -0.039 -0.103 0.000) 0.110 4.584 ( -1.550 0.378 0.000) 1.596 4.630 ( -0.390 0.400 0.000) 0.558 4.668 ( 3.110 0.810 0.000) 3.214 4.686 ( 2.284 1.459 0.000) 2.711 4.752 ( -1.375 -0.638 0.000) 1.516 4.753 ( -0.087 -1.245 0.000) 1.248 4.971 ( -2.788 -0.249 0.000) 2.799 4.990 ( -1.655 -0.170 0.000) 1.663 5.188 ( -2.619 -0.337 0.000) 2.641 5.227 ( -1.202 -0.255 0.000) 1.228 5.270 ( -4.219 -0.245 0.000) 4.226 5.322 ( -0.958 -0.196 0.000) 0.978 5.380 ( -1.330 -0.106 0.000) 1.335 5.416 ( -0.716 -0.018 0.000) 0.717 5.429 ( -0.419 0.112 0.000) 0.434 5.446 ( 0.125 -0.034 0.000) 0.130 5.710 ( -0.949 0.141 0.000) 0.959 5.733 ( 0.504 -0.167 0.000) 0.531 5.811 ( -8.819 0.112 0.000) 8.820 5.836 ( -5.882 -0.083 0.000) 5.882 5.974 ( -2.265 -0.137 0.000) 2.269 6.094 ( 4.657 0.559 0.000) 4.691 6.106 ( 6.409 -0.463 0.000) 6.425 6.143 ( 0.636 -0.020 0.000) 0.637 6.148 ( 2.787 -0.116 0.000) 2.790 6.201 ( -0.566 -0.043 0.000) 0.568 ======================= Grid point 44 (32/98) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -2.005 0.069 0.000) 2.006 1.498 ( -9.085 -3.050 0.000) 9.583 1.614 ( -1.217 0.332 0.000) 1.261 1.624 ( -4.942 -2.492 0.000) 5.534 1.664 ( -4.367 -0.099 0.000) 4.369 1.718 ( -2.221 -0.955 0.000) 2.418 1.747 ( -3.836 -0.890 0.000) 3.937 1.827 ( -3.090 -0.197 0.000) 3.096 1.838 ( -0.532 -2.363 0.000) 2.422 1.854 ( -2.947 -2.146 0.000) 3.645 1.988 ( -4.740 1.701 0.000) 5.036 2.078 ( -8.239 -2.514 0.000) 8.615 2.156 ( 2.040 0.128 0.000) 2.044 2.172 ( -1.466 0.653 0.000) 1.605 2.220 ( -0.496 -0.914 0.000) 1.039 2.337 ( 1.367 1.329 0.000) 1.906 2.349 ( 0.022 -0.695 0.000) 0.696 2.518 ( -2.390 1.725 0.000) 2.947 2.606 ( 1.618 -0.532 0.000) 1.703 2.618 ( 2.544 1.653 0.000) 3.033 2.731 ( 2.876 -2.475 0.000) 3.794 2.748 ( 3.997 2.541 0.000) 4.736 2.801 ( 0.663 -0.991 0.000) 1.192 2.817 ( 1.502 -0.758 0.000) 1.682 2.828 ( 3.922 -2.306 0.000) 4.550 2.936 ( 5.031 0.339 0.000) 5.042 2.971 ( -0.370 0.537 0.000) 0.653 3.073 ( 0.800 1.315 0.000) 1.539 3.120 ( -3.859 0.192 0.000) 3.864 3.305 ( -5.448 -0.432 0.000) 5.465 3.318 ( 1.490 0.375 0.000) 1.536 3.377 ( -4.014 1.071 0.000) 4.154 3.417 ( -10.275 0.181 0.000) 10.276 3.464 ( -9.100 0.484 0.000) 9.113 3.518 ( -4.387 0.583 0.000) 4.426 3.546 ( -5.456 1.281 0.000) 5.605 4.352 ( 0.842 -0.221 0.000) 0.870 4.385 ( -0.163 -0.482 0.000) 0.508 4.482 ( -2.046 -0.285 0.000) 2.066 4.496 ( -2.725 0.257 0.000) 2.737 4.565 ( -0.057 3.129 0.000) 3.129 4.612 ( -1.003 1.635 0.000) 1.918 4.700 ( -2.309 -0.388 0.000) 2.341 4.712 ( -2.338 0.207 0.000) 2.347 4.733 ( 2.326 0.478 0.000) 2.374 4.740 ( 1.331 1.025 0.000) 1.680 4.967 ( 1.923 -2.055 0.000) 2.815 4.984 ( 0.955 -1.238 0.000) 1.564 5.154 ( -1.220 -1.371 0.000) 1.835 5.186 ( -4.528 -1.437 0.000) 4.751 5.220 ( 0.011 -1.480 0.000) 1.480 5.299 ( -1.621 -1.001 0.000) 1.905 5.332 ( -3.477 -0.088 0.000) 3.478 5.392 ( -1.588 0.215 0.000) 1.603 5.405 ( -1.859 0.283 0.000) 1.881 5.438 ( -1.391 -0.213 0.000) 1.407 5.637 ( -7.812 0.161 0.000) 7.813 5.673 ( -9.018 0.021 0.000) 9.018 5.692 ( -0.881 -0.157 0.000) 0.895 5.749 ( 1.157 -0.061 0.000) 1.159 5.959 ( -0.459 -0.716 0.000) 0.850 6.110 ( -0.459 0.069 0.000) 0.464 6.163 ( 1.131 0.343 0.000) 1.181 6.193 ( -0.419 -0.724 0.000) 0.837 6.247 ( 7.129 -0.312 0.000) 7.136 6.275 ( 7.110 -0.083 0.000) 7.110 ======================= Grid point 45 (33/98) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -8.918 -1.998 0.000) 9.139 1.380 ( -3.315 1.449 0.000) 3.618 1.554 ( -5.387 -0.397 0.000) 5.401 1.586 ( -4.038 1.163 0.000) 4.202 1.587 ( -1.700 -6.757 0.000) 6.968 1.639 ( -3.950 1.535 0.000) 4.238 1.709 ( -2.376 -3.407 0.000) 4.154 1.756 ( -8.212 -2.979 0.000) 8.735 1.774 ( -5.062 -3.421 0.000) 6.110 1.821 ( -2.741 -4.755 0.000) 5.488 1.863 ( -4.964 4.586 0.000) 6.758 2.030 ( 0.572 -1.868 0.000) 1.953 2.134 ( -2.081 0.864 0.000) 2.253 2.158 ( -2.404 -3.736 0.000) 4.442 2.238 ( 1.988 0.746 0.000) 2.123 2.348 ( 0.349 2.743 0.000) 2.765 2.372 ( 1.551 -0.807 0.000) 1.748 2.443 ( -3.057 0.444 0.000) 3.089 2.627 ( -2.106 3.487 0.000) 4.074 2.645 ( 0.094 0.289 0.000) 0.304 2.731 ( -4.397 -1.228 0.000) 4.566 2.793 ( -1.937 0.978 0.000) 2.169 2.794 ( 0.758 -3.581 0.000) 3.661 2.838 ( -0.997 -1.401 0.000) 1.720 2.838 ( -0.592 -1.349 0.000) 1.473 2.998 ( -1.965 0.273 0.000) 1.984 3.039 ( 5.039 0.051 0.000) 5.039 3.056 ( -1.712 2.158 0.000) 2.755 3.099 ( 3.885 0.758 0.000) 3.959 3.162 ( -10.300 1.659 0.000) 10.432 3.184 ( -12.319 5.706 0.000) 13.576 3.225 ( -6.760 -1.678 0.000) 6.965 3.305 ( -3.898 -0.625 0.000) 3.948 3.345 ( -2.406 -0.559 0.000) 2.470 3.434 ( -3.742 1.433 0.000) 4.007 3.440 ( -3.749 1.555 0.000) 4.059 4.348 ( -1.490 0.774 0.000) 1.679 4.371 ( -1.773 -0.243 0.000) 1.790 4.435 ( -3.409 0.295 0.000) 3.422 4.443 ( -1.945 0.187 0.000) 1.954 4.518 ( -2.252 3.957 0.000) 4.553 4.575 ( -1.689 0.892 0.000) 1.910 4.633 ( -5.019 -1.511 0.000) 5.241 4.648 ( -3.445 -2.295 0.000) 4.139 4.759 ( 0.299 2.499 0.000) 2.517 4.779 ( 2.544 2.324 0.000) 3.446 5.031 ( 2.806 -0.782 0.000) 2.913 5.037 ( 3.370 -1.548 0.000) 3.709 5.144 ( -0.787 -3.492 0.000) 3.579 5.166 ( 1.554 -2.023 0.000) 2.551 5.246 ( 1.634 -2.555 0.000) 3.033 5.263 ( -3.402 0.002 0.000) 3.402 5.277 ( -1.160 -1.761 0.000) 2.109 5.358 ( -1.184 0.943 0.000) 1.514 5.361 ( -2.344 0.215 0.000) 2.353 5.403 ( -1.766 -1.256 0.000) 2.167 5.529 ( -5.463 0.052 0.000) 5.463 5.548 ( -1.574 0.510 0.000) 1.655 5.676 ( -1.081 -0.563 0.000) 1.219 5.776 ( 1.597 0.319 0.000) 1.629 5.949 ( -1.366 -1.330 0.000) 1.907 6.090 ( -1.797 -0.365 0.000) 1.834 6.154 ( -1.589 0.709 0.000) 1.740 6.209 ( 1.226 -1.556 0.000) 1.981 6.364 ( 4.815 -0.370 0.000) 4.829 6.389 ( 4.648 -0.197 0.000) 4.652 ======================= Grid point 46 (34/98) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -7.791 5.348 0.000) 9.450 1.265 ( -7.358 6.160 0.000) 9.596 1.430 ( -5.919 0.635 0.000) 5.953 1.512 ( -3.583 1.477 0.000) 3.875 1.521 ( -10.510 -4.954 0.000) 11.619 1.560 ( -3.612 1.766 0.000) 4.021 1.664 ( -2.948 -7.261 0.000) 7.836 1.690 ( -1.676 -4.221 0.000) 4.541 1.708 ( -4.318 3.326 0.000) 5.450 1.771 ( -1.395 -4.541 0.000) 4.750 1.787 ( -3.916 -5.645 0.000) 6.870 2.011 ( -4.824 -1.147 0.000) 4.958 2.085 ( -2.544 0.625 0.000) 2.619 2.158 ( 0.136 -4.748 0.000) 4.750 2.263 ( -0.020 1.326 0.000) 1.326 2.283 ( -5.647 3.319 0.000) 6.550 2.395 ( -0.749 -0.673 0.000) 1.006 2.426 ( 0.678 -0.204 0.000) 0.708 2.451 ( -10.722 2.254 0.000) 10.957 2.576 ( -6.640 -2.003 0.000) 6.936 2.677 ( -3.637 -0.677 0.000) 3.699 2.698 ( -6.425 2.862 0.000) 7.034 2.780 ( -2.782 -1.046 0.000) 2.972 2.785 ( -5.601 0.148 0.000) 5.603 2.868 ( -1.461 0.735 0.000) 1.636 2.872 ( -10.622 5.852 0.000) 12.128 2.911 ( -7.178 4.595 0.000) 8.523 2.941 ( -5.885 1.275 0.000) 6.021 2.965 ( -4.535 3.811 0.000) 5.924 3.121 ( 1.724 1.329 0.000) 2.177 3.185 ( -0.501 -2.814 0.000) 2.859 3.200 ( 3.793 0.263 0.000) 3.802 3.227 ( -4.167 -3.019 0.000) 5.146 3.314 ( -3.717 -1.453 0.000) 3.991 3.373 ( -1.294 0.686 0.000) 1.465 3.426 ( 3.467 0.033 0.000) 3.467 4.287 ( -4.080 1.645 0.000) 4.399 4.308 ( -4.595 1.233 0.000) 4.757 4.348 ( -4.992 2.309 0.000) 5.500 4.406 ( -2.189 -0.132 0.000) 2.193 4.471 ( -1.354 0.111 0.000) 1.359 4.544 ( -5.299 -2.049 0.000) 5.681 4.568 ( 1.466 -1.857 0.000) 2.366 4.593 ( -3.600 -2.542 0.000) 4.407 4.726 ( -1.839 1.999 0.000) 2.717 4.802 ( 1.309 2.514 0.000) 2.835 5.066 ( 1.034 0.370 0.000) 1.098 5.109 ( 3.037 -0.871 0.000) 3.159 5.171 ( 0.873 -2.756 0.000) 2.890 5.184 ( -1.926 -1.205 0.000) 2.272 5.248 ( 2.742 1.171 0.000) 2.982 5.288 ( 1.244 -1.281 0.000) 1.786 5.307 ( 1.863 -2.132 0.000) 2.832 5.336 ( 1.763 -0.914 0.000) 1.986 5.359 ( 0.791 0.256 0.000) 0.831 5.402 ( 2.155 -0.025 0.000) 2.155 5.483 ( 0.605 -0.401 0.000) 0.725 5.546 ( 1.383 0.814 0.000) 1.604 5.656 ( -1.548 -0.921 0.000) 1.801 5.799 ( 0.903 1.120 0.000) 1.438 5.917 ( -2.980 -1.830 0.000) 3.497 6.048 ( -2.865 -1.048 0.000) 3.051 6.111 ( -2.212 0.469 0.000) 2.261 6.243 ( 1.281 -2.035 0.000) 2.405 6.434 ( 2.388 -0.560 0.000) 2.453 6.454 ( 2.084 -0.329 0.000) 2.110 ======================= Grid point 47 (35/98) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -5.900 13.317 0.000) 14.565 1.047 ( -9.744 10.699 0.000) 14.471 1.328 ( -4.145 5.719 0.000) 7.063 1.347 ( -9.230 -3.464 0.000) 9.859 1.396 ( -7.324 0.588 0.000) 7.347 1.506 ( -1.422 0.593 0.000) 1.541 1.536 ( -8.458 2.006 0.000) 8.692 1.669 ( -1.193 2.353 0.000) 2.639 1.690 ( -0.847 -3.375 0.000) 3.480 1.735 ( -3.354 -2.610 0.000) 4.250 1.805 ( -3.069 -8.757 0.000) 9.279 1.909 ( -5.296 -2.984 0.000) 6.078 2.020 ( -5.512 1.703 0.000) 5.769 2.051 ( -12.800 4.786 0.000) 13.665 2.133 ( -6.209 -0.960 0.000) 6.283 2.198 ( -2.420 -1.414 0.000) 2.803 2.335 ( -1.556 -0.085 0.000) 1.558 2.397 ( -0.415 0.188 0.000) 0.455 2.430 ( -1.208 0.601 0.000) 1.349 2.491 ( -2.272 -2.301 0.000) 3.234 2.515 ( -8.284 7.955 0.000) 11.486 2.555 ( -7.971 3.863 0.000) 8.858 2.610 ( -7.541 5.323 0.000) 9.231 2.672 ( -6.000 2.142 0.000) 6.371 2.689 ( -6.096 -0.194 0.000) 6.099 2.792 ( -2.632 3.413 0.000) 4.310 2.832 ( -3.087 -0.630 0.000) 3.150 2.877 ( -2.383 2.059 0.000) 3.149 2.933 ( 0.144 -1.411 0.000) 1.418 3.121 ( 0.306 4.612 0.000) 4.622 3.171 ( -2.390 -3.913 0.000) 4.585 3.175 ( -3.419 -5.267 0.000) 6.279 3.233 ( -5.009 -2.309 0.000) 5.516 3.261 ( 2.707 -0.755 0.000) 2.810 3.395 ( 2.444 -2.016 0.000) 3.168 3.511 ( 4.218 0.028 0.000) 4.218 4.182 ( -5.416 2.107 0.000) 5.812 4.200 ( -5.275 2.056 0.000) 5.662 4.227 ( -6.442 1.799 0.000) 6.689 4.335 ( -6.683 -3.108 0.000) 7.371 4.457 ( -0.706 -1.515 0.000) 1.671 4.461 ( -4.233 -2.047 0.000) 4.702 4.550 ( -2.119 -2.795 0.000) 3.508 4.660 ( 6.478 -2.333 0.000) 6.885 4.686 ( -0.953 1.886 0.000) 2.113 4.805 ( 0.509 2.538 0.000) 2.589 5.082 ( 1.127 0.194 0.000) 1.144 5.130 ( -0.777 -0.221 0.000) 0.807 5.190 ( 1.814 -1.324 0.000) 2.246 5.194 ( 0.342 -1.715 0.000) 1.749 5.249 ( -0.717 1.784 0.000) 1.923 5.315 ( 1.188 0.699 0.000) 1.378 5.374 ( 1.146 -0.350 0.000) 1.198 5.380 ( 5.024 -0.634 0.000) 5.064 5.423 ( 5.034 0.424 0.000) 5.052 5.484 ( 5.438 1.293 0.000) 5.590 5.529 ( 3.387 0.640 0.000) 3.447 5.588 ( 3.373 0.686 0.000) 3.442 5.626 ( -2.040 -0.954 0.000) 2.252 5.782 ( -2.037 2.096 0.000) 2.923 5.861 ( -3.743 -2.403 0.000) 4.448 5.997 ( -3.219 -1.516 0.000) 3.558 6.081 ( -0.478 0.556 0.000) 0.733 6.282 ( 1.367 -2.990 0.000) 3.288 6.464 ( 0.393 -0.807 0.000) 0.897 6.475 ( 0.044 -0.363 0.000) 0.365 ======================= Grid point 48 (36/98) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -5.185 16.871 0.000) 17.650 0.809 ( -7.159 15.366 0.000) 16.952 1.165 ( -8.132 6.078 0.000) 10.152 1.221 ( -5.104 0.139 0.000) 5.106 1.290 ( -2.423 5.628 0.000) 6.128 1.367 ( -5.636 10.037 0.000) 11.511 1.488 ( -0.200 0.781 0.000) 0.807 1.554 ( -7.158 12.855 0.000) 14.714 1.663 ( -1.499 2.138 0.000) 2.611 1.729 ( 0.237 -3.517 0.000) 3.525 1.752 ( -3.123 -4.017 0.000) 5.088 1.774 ( -6.163 -0.765 0.000) 6.210 1.849 ( -8.334 1.754 0.000) 8.517 1.886 ( -7.462 -4.715 0.000) 8.827 2.119 ( 1.000 -4.273 0.000) 4.389 2.175 ( 1.200 1.880 0.000) 2.230 2.266 ( -4.238 1.196 0.000) 4.404 2.346 ( -6.284 7.641 0.000) 9.893 2.388 ( -2.199 -0.613 0.000) 2.282 2.400 ( -0.088 0.561 0.000) 0.568 2.425 ( -1.665 1.034 0.000) 1.960 2.473 ( -3.500 4.800 0.000) 5.940 2.482 ( -0.268 0.925 0.000) 0.963 2.589 ( -1.971 0.844 0.000) 2.144 2.623 ( -2.802 -2.795 0.000) 3.957 2.712 ( -3.130 4.361 0.000) 5.368 2.766 ( -2.564 1.552 0.000) 2.997 2.848 ( -1.308 -1.917 0.000) 2.321 2.929 ( -0.835 0.174 0.000) 0.853 3.094 ( -0.324 2.931 0.000) 2.949 3.152 ( -1.330 -2.796 0.000) 3.096 3.167 ( -0.122 -2.505 0.000) 2.508 3.183 ( -2.230 -7.030 0.000) 7.375 3.318 ( 2.844 -1.023 0.000) 3.023 3.453 ( 1.833 -2.853 0.000) 3.391 3.572 ( 2.257 0.057 0.000) 2.258 4.078 ( -3.888 1.684 0.000) 4.237 4.095 ( -5.865 1.404 0.000) 6.030 4.102 ( -3.698 1.496 0.000) 3.989 4.183 ( -10.735 -3.273 0.000) 11.223 4.410 ( -2.275 -2.146 0.000) 3.127 4.455 ( -0.437 -1.925 0.000) 1.974 4.544 ( -0.466 -3.145 0.000) 3.180 4.662 ( -0.221 2.397 0.000) 2.407 4.795 ( 0.042 2.693 0.000) 2.694 4.820 ( 7.539 -3.055 0.000) 8.135 5.112 ( 2.237 -0.046 0.000) 2.237 5.124 ( -0.069 -0.990 0.000) 0.992 5.206 ( 0.129 -1.322 0.000) 1.329 5.220 ( 0.090 -0.547 0.000) 0.554 5.237 ( 1.026 1.821 0.000) 2.090 5.329 ( 0.975 1.588 0.000) 1.864 5.397 ( 0.931 0.003 0.000) 0.931 5.472 ( 3.963 0.532 0.000) 3.998 5.500 ( 3.969 2.982 0.000) 4.964 5.553 ( 1.803 1.070 0.000) 2.096 5.591 ( -1.918 -0.596 0.000) 2.009 5.593 ( 3.691 1.249 0.000) 3.896 5.647 ( 2.568 0.832 0.000) 2.699 5.705 ( -4.254 2.227 0.000) 4.802 5.814 ( -2.451 -3.052 0.000) 3.914 5.942 ( -2.966 -0.105 0.000) 2.968 6.081 ( 0.606 1.258 0.000) 1.396 6.327 ( 1.188 -4.125 0.000) 4.293 6.461 ( -0.962 -0.667 0.000) 1.170 6.466 ( -0.897 -0.147 0.000) 0.909 ======================= Grid point 49 (37/98) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.000 18.625 0.000) 18.625 0.653 ( 0.000 16.975 0.000) 16.975 1.037 ( 0.000 6.452 0.000) 6.452 1.106 ( 0.000 24.103 0.000) 24.103 1.223 ( 0.000 9.857 0.000) 9.857 1.248 ( 0.000 4.983 0.000) 4.983 1.422 ( 0.000 5.814 0.000) 5.814 1.485 ( 0.000 0.300 0.000) 0.300 1.637 ( 0.000 2.310 0.000) 2.310 1.704 ( 0.000 0.018 0.000) 0.018 1.743 ( 0.000 1.277 0.000) 1.277 1.759 ( -0.000 -2.408 0.000) 2.408 1.777 ( -0.000 -4.062 0.000) 4.062 1.805 ( -0.000 -3.457 0.000) 3.457 2.163 ( -0.000 -5.049 0.000) 5.049 2.188 ( 0.000 10.577 0.000) 10.577 2.208 ( 0.000 1.124 0.000) 1.124 2.230 ( -0.000 -0.571 0.000) 0.571 2.370 ( -0.000 -1.168 0.000) 1.168 2.405 ( -0.000 -1.270 0.000) 1.270 2.407 ( 0.000 5.279 0.000) 5.279 2.430 ( -0.000 -0.296 0.000) 0.296 2.468 ( 0.000 2.022 0.000) 2.022 2.570 ( -0.000 -0.049 0.000) 0.049 2.602 ( -0.000 -1.432 0.000) 1.432 2.652 ( 0.000 5.099 0.000) 5.099 2.735 ( 0.000 1.346 0.000) 1.346 2.848 ( -0.000 -2.830 0.000) 2.830 2.914 ( 0.000 1.328 0.000) 1.328 3.082 ( 0.000 1.723 0.000) 1.723 3.155 ( -0.000 -1.943 0.000) 1.943 3.179 ( -0.000 -2.144 0.000) 2.144 3.214 ( -0.000 -8.972 0.000) 8.972 3.368 ( -0.000 -1.491 0.000) 1.491 3.487 ( -0.000 -2.707 0.000) 2.707 3.596 ( -0.000 -0.647 0.000) 0.647 4.023 ( 0.000 1.418 0.000) 1.418 4.030 ( 0.000 1.563 0.000) 1.563 4.032 ( 0.000 1.426 0.000) 1.426 4.064 ( 0.000 1.329 0.000) 1.329 4.401 ( -0.000 -2.567 0.000) 2.567 4.463 ( -0.000 -2.622 0.000) 2.622 4.558 ( -0.000 -3.171 0.000) 3.171 4.647 ( 0.000 2.840 0.000) 2.840 4.780 ( 0.000 2.740 0.000) 2.740 4.923 ( -0.000 -4.012 0.000) 4.012 5.131 ( -0.000 -1.054 0.000) 1.054 5.156 ( -0.000 -1.996 0.000) 1.996 5.215 ( -0.000 -1.335 0.000) 1.335 5.218 ( 0.000 0.351 0.000) 0.351 5.243 ( 0.000 1.429 0.000) 1.429 5.332 ( 0.000 1.915 0.000) 1.915 5.405 ( 0.000 0.390 0.000) 0.390 5.502 ( 0.000 1.761 0.000) 1.761 5.533 ( 0.000 4.512 0.000) 4.512 5.559 ( -0.000 -0.490 0.000) 0.490 5.572 ( -0.000 -0.383 0.000) 0.383 5.628 ( 0.000 0.768 0.000) 0.768 5.638 ( 0.000 0.881 0.000) 0.881 5.666 ( 0.000 0.994 0.000) 0.994 5.801 ( -0.000 -1.979 0.000) 1.979 5.898 ( 0.000 2.505 0.000) 2.505 6.079 ( 0.000 1.629 0.000) 1.629 6.364 ( -0.000 -4.686 0.000) 4.686 6.447 ( 0.000 0.070 0.000) 0.070 6.455 ( 0.000 0.084 0.000) 0.084 ======================= Grid point 56 (38/98) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -1.900 -0.000 0.000) 1.900 1.481 ( -10.052 -0.000 0.000) 10.052 1.611 ( -4.796 -0.000 0.000) 4.796 1.616 ( -1.225 -0.000 0.000) 1.225 1.663 ( -4.309 -0.000 0.000) 4.309 1.712 ( -1.801 -0.000 0.000) 1.801 1.743 ( -4.226 -0.000 0.000) 4.226 1.824 ( -0.089 -0.000 0.000) 0.089 1.827 ( -4.066 -0.000 0.000) 4.066 1.842 ( -3.315 -0.000 0.000) 3.315 2.002 ( -2.748 -0.000 0.000) 2.748 2.059 ( -9.681 -0.000 0.000) 9.681 2.158 ( 1.731 0.000 0.000) 1.731 2.175 ( -1.437 -0.000 0.000) 1.437 2.216 ( -0.207 -0.000 0.000) 0.207 2.345 ( 1.514 0.000 0.000) 1.514 2.345 ( -0.023 -0.000 0.000) 0.023 2.528 ( -2.892 -0.000 0.000) 2.892 2.603 ( 2.219 0.000 0.000) 2.219 2.628 ( 2.587 0.000 0.000) 2.587 2.717 ( 2.587 0.000 0.000) 2.587 2.769 ( 2.908 0.000 0.000) 2.908 2.788 ( 3.332 0.000 0.000) 3.332 2.813 ( 1.458 0.000 0.000) 1.458 2.816 ( 2.342 0.000 0.000) 2.342 2.938 ( 4.927 0.000 0.000) 4.927 2.974 ( -0.510 -0.000 0.000) 0.510 3.080 ( 0.656 0.000 0.000) 0.656 3.121 ( -3.883 -0.000 0.000) 3.883 3.303 ( -5.442 -0.000 0.000) 5.442 3.320 ( 1.504 0.000 0.000) 1.504 3.383 ( -3.174 -0.000 0.000) 3.174 3.418 ( -10.359 -0.000 0.000) 10.359 3.466 ( -9.649 -0.000 0.000) 9.649 3.522 ( -4.171 -0.000 0.000) 4.171 3.553 ( -5.059 -0.000 0.000) 5.059 4.350 ( 0.992 0.000 0.000) 0.992 4.382 ( -0.111 -0.000 0.000) 0.111 4.480 ( -2.088 -0.000 0.000) 2.088 4.497 ( -2.833 -0.000 0.000) 2.833 4.584 ( 0.702 0.000 0.000) 0.702 4.621 ( -0.884 -0.000 0.000) 0.884 4.697 ( -3.994 -0.000 0.000) 3.994 4.712 ( -3.988 -0.000 0.000) 3.988 4.737 ( 3.721 0.000 0.000) 3.721 4.747 ( 3.092 0.000 0.000) 3.092 4.955 ( 1.815 0.000 0.000) 1.815 4.977 ( 0.738 0.000 0.000) 0.738 5.146 ( -1.335 -0.000 0.000) 1.335 5.178 ( -4.878 -0.000 0.000) 4.878 5.212 ( -0.239 -0.000 0.000) 0.239 5.294 ( -1.729 -0.000 0.000) 1.729 5.332 ( -3.456 -0.000 0.000) 3.456 5.393 ( -1.448 -0.000 0.000) 1.448 5.406 ( -1.862 -0.000 0.000) 1.862 5.437 ( -1.569 -0.000 0.000) 1.569 5.637 ( -7.792 -0.000 0.000) 7.792 5.673 ( -8.993 -0.000 0.000) 8.993 5.692 ( -0.965 -0.000 0.000) 0.965 5.749 ( 1.227 0.000 0.000) 1.227 5.955 ( -0.546 -0.000 0.000) 0.546 6.111 ( -0.578 -0.000 0.000) 0.578 6.165 ( 1.516 0.000 0.000) 1.516 6.189 ( -0.868 -0.000 0.000) 0.868 6.246 ( 7.179 0.000 0.000) 7.179 6.275 ( 7.097 0.000 0.000) 7.097 ======================= Grid point 58 (39/98) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -5.602 -0.408 0.000) 5.617 1.391 ( -2.331 0.524 0.000) 2.389 1.532 ( -3.858 -2.803 0.000) 4.769 1.550 ( -5.141 -0.185 0.000) 5.144 1.599 ( -3.522 0.987 0.000) 3.658 1.656 ( -3.328 1.222 0.000) 3.545 1.678 ( -2.757 -1.995 0.000) 3.403 1.728 ( -10.123 -1.513 0.000) 10.236 1.753 ( -4.157 -0.882 0.000) 4.250 1.782 ( -3.576 -2.087 0.000) 4.140 1.916 ( -3.928 4.240 0.000) 5.780 1.999 ( 1.532 -3.152 0.000) 3.505 2.131 ( -4.241 -1.243 0.000) 4.419 2.141 ( -2.207 0.324 0.000) 2.231 2.246 ( 2.635 0.566 0.000) 2.695 2.364 ( 1.502 -0.531 0.000) 1.593 2.371 ( 1.344 1.240 0.000) 1.828 2.443 ( -4.353 -0.147 0.000) 4.356 2.649 ( -0.373 0.363 0.000) 0.520 2.661 ( 0.072 2.305 0.000) 2.306 2.713 ( -7.498 -1.630 0.000) 7.673 2.765 ( 1.747 -1.532 0.000) 2.324 2.803 ( -2.595 0.893 0.000) 2.744 2.823 ( -1.159 -1.121 0.000) 1.612 2.829 ( 0.474 -0.455 0.000) 0.657 3.000 ( -1.855 0.078 0.000) 1.857 3.040 ( 5.121 0.031 0.000) 5.121 3.074 ( -1.163 1.024 0.000) 1.550 3.102 ( 5.033 -0.074 0.000) 5.034 3.182 ( -8.190 1.930 0.000) 8.415 3.205 ( -8.634 -1.945 0.000) 8.850 3.237 ( -11.088 3.565 0.000) 11.647 3.294 ( -6.053 -1.338 0.000) 6.199 3.338 ( -1.617 -0.545 0.000) 1.706 3.445 ( -3.748 0.501 0.000) 3.781 3.452 ( -4.493 0.621 0.000) 4.536 4.354 ( -0.972 0.310 0.000) 1.020 4.369 ( -1.598 -0.125 0.000) 1.603 4.434 ( -3.413 -0.130 0.000) 3.415 4.444 ( -1.483 -0.051 0.000) 1.484 4.560 ( -2.583 3.290 0.000) 4.182 4.586 ( -2.487 0.992 0.000) 2.677 4.617 ( -5.501 -1.090 0.000) 5.608 4.621 ( -4.080 -2.436 0.000) 4.752 4.780 ( 0.006 1.141 0.000) 1.141 4.798 ( 2.620 1.026 0.000) 2.813 5.022 ( 3.567 -0.840 0.000) 3.665 5.024 ( 4.111 -0.413 0.000) 4.132 5.117 ( -1.049 -1.300 0.000) 1.670 5.153 ( 2.094 -0.462 0.000) 2.144 5.225 ( 1.560 -1.141 0.000) 1.932 5.262 ( -3.356 -0.011 0.000) 3.356 5.264 ( -1.286 -0.690 0.000) 1.459 5.363 ( -2.487 0.088 0.000) 2.489 5.368 ( -0.929 0.701 0.000) 1.164 5.391 ( -2.032 -0.807 0.000) 2.186 5.529 ( -5.541 0.017 0.000) 5.541 5.552 ( -1.446 0.188 0.000) 1.459 5.672 ( -1.178 -0.190 0.000) 1.194 5.778 ( 1.788 0.113 0.000) 1.791 5.939 ( -1.472 -0.492 0.000) 1.552 6.087 ( -1.959 -0.126 0.000) 1.963 6.161 ( -1.911 0.398 0.000) 1.952 6.197 ( 1.416 -0.704 0.000) 1.582 6.361 ( 4.814 -0.126 0.000) 4.816 6.387 ( 4.618 -0.070 0.000) 4.619 ======================= Grid point 59 (40/98) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -2.029 7.520 0.000) 7.789 1.324 ( -4.347 4.454 0.000) 6.224 1.433 ( -6.054 -0.130 0.000) 6.056 1.473 ( -7.720 -4.065 0.000) 8.725 1.530 ( -2.365 1.750 0.000) 2.942 1.573 ( -4.952 -8.237 0.000) 9.611 1.579 ( -4.626 1.370 0.000) 4.824 1.652 ( -1.306 -2.152 0.000) 2.517 1.681 ( -3.895 -3.153 0.000) 5.012 1.729 ( -3.695 -4.948 0.000) 6.175 1.816 ( -3.401 6.717 0.000) 7.529 1.998 ( -6.796 -1.217 0.000) 6.904 2.089 ( -2.799 0.241 0.000) 2.809 2.098 ( 2.213 -5.386 0.000) 5.823 2.285 ( 1.461 2.197 0.000) 2.638 2.318 ( -6.614 2.962 0.000) 7.247 2.383 ( -1.749 -1.233 0.000) 2.139 2.416 ( 0.902 -1.393 0.000) 1.660 2.469 ( -11.894 1.060 0.000) 11.941 2.558 ( -7.387 -1.249 0.000) 7.492 2.668 ( -2.442 -0.643 0.000) 2.526 2.719 ( -5.464 1.281 0.000) 5.612 2.776 ( -1.375 0.092 0.000) 1.378 2.783 ( -3.312 -0.350 0.000) 3.330 2.863 ( 1.714 -0.932 0.000) 1.951 2.907 ( -6.884 1.200 0.000) 6.988 2.963 ( -8.336 2.091 0.000) 8.594 2.981 ( -10.619 6.507 0.000) 12.454 3.012 ( -4.716 4.834 0.000) 6.754 3.132 ( 2.315 0.796 0.000) 2.448 3.157 ( -0.228 -2.178 0.000) 2.190 3.175 ( -5.622 -4.758 0.000) 7.365 3.205 ( 1.172 -0.743 0.000) 1.387 3.304 ( -2.979 -0.470 0.000) 3.016 3.379 ( -2.394 0.425 0.000) 2.432 3.426 ( 2.977 -0.077 0.000) 2.978 4.302 ( -3.923 1.127 0.000) 4.082 4.317 ( -3.941 0.333 0.000) 3.955 4.365 ( -4.367 0.765 0.000) 4.434 4.409 ( -2.989 0.619 0.000) 3.053 4.482 ( -3.026 1.906 0.000) 3.576 4.521 ( -5.035 -1.880 0.000) 5.375 4.555 ( 0.405 -0.757 0.000) 0.859 4.562 ( -3.703 -2.981 0.000) 4.754 4.743 ( -2.295 1.144 0.000) 2.564 4.824 ( 1.029 1.489 0.000) 1.810 5.072 ( 1.027 0.664 0.000) 1.223 5.101 ( 3.744 -0.579 0.000) 3.789 5.145 ( 1.736 -1.920 0.000) 2.589 5.174 ( -1.947 -0.561 0.000) 2.026 5.261 ( 4.681 1.161 0.000) 4.823 5.277 ( 2.253 -0.783 0.000) 2.385 5.287 ( 2.756 -1.440 0.000) 3.109 5.325 ( 0.231 -0.853 0.000) 0.884 5.361 ( 0.116 0.170 0.000) 0.206 5.402 ( 3.294 -0.026 0.000) 3.294 5.479 ( 0.479 -0.253 0.000) 0.542 5.553 ( 1.483 0.555 0.000) 1.583 5.648 ( -1.578 -0.495 0.000) 1.654 5.808 ( 1.270 0.622 0.000) 1.414 5.900 ( -3.181 -1.182 0.000) 3.394 6.040 ( -3.035 -0.495 0.000) 3.076 6.115 ( -2.328 0.284 0.000) 2.345 6.226 ( 1.116 -1.172 0.000) 1.618 6.430 ( 2.349 -0.278 0.000) 2.365 6.451 ( 2.067 -0.177 0.000) 2.074 ======================= Grid point 60 (41/98) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -2.771 14.930 0.000) 15.185 1.160 ( -7.493 9.977 0.000) 12.477 1.320 ( -7.379 -1.523 0.000) 7.534 1.364 ( -2.135 -0.444 0.000) 2.180 1.421 ( -8.129 4.661 0.000) 9.370 1.513 ( -0.960 0.628 0.000) 1.148 1.524 ( -5.827 -3.644 0.000) 6.873 1.652 ( -0.176 -3.350 0.000) 3.355 1.699 ( -1.020 -9.380 0.000) 9.435 1.702 ( -1.787 -3.491 0.000) 3.922 1.720 ( -0.584 5.472 0.000) 5.503 1.873 ( -6.016 -3.373 0.000) 6.897 2.036 ( -3.492 1.174 0.000) 3.684 2.101 ( -14.627 3.633 0.000) 15.071 2.126 ( -10.085 -0.357 0.000) 10.091 2.171 ( 0.603 -3.215 0.000) 3.271 2.338 ( -0.061 0.590 0.000) 0.593 2.397 ( -1.223 -0.098 0.000) 1.227 2.435 ( -1.405 0.379 0.000) 1.455 2.466 ( -1.243 -2.153 0.000) 2.486 2.575 ( -7.182 3.287 0.000) 7.898 2.599 ( -5.683 2.977 0.000) 6.415 2.671 ( -6.820 6.346 0.000) 9.316 2.694 ( -5.445 1.801 0.000) 5.735 2.707 ( -9.310 3.533 0.000) 9.958 2.822 ( -4.184 -0.956 0.000) 4.292 2.831 ( -2.526 3.613 0.000) 4.408 2.910 ( -3.731 3.446 0.000) 5.079 2.917 ( 0.565 -1.608 0.000) 1.705 3.095 ( -5.473 -8.478 0.000) 10.092 3.131 ( -2.242 -3.136 0.000) 3.855 3.169 ( 1.053 3.812 0.000) 3.955 3.215 ( -3.011 -1.343 0.000) 3.297 3.249 ( -0.356 -1.437 0.000) 1.481 3.372 ( 1.154 -2.100 0.000) 2.396 3.513 ( 4.713 0.393 0.000) 4.730 4.202 ( -5.519 1.471 0.000) 5.711 4.220 ( -5.266 1.504 0.000) 5.476 4.247 ( -6.876 1.751 0.000) 7.096 4.309 ( -7.496 -1.670 0.000) 7.680 4.441 ( -3.992 -1.610 0.000) 4.305 4.444 ( -0.938 -0.836 0.000) 1.256 4.520 ( -2.158 -2.676 0.000) 3.438 4.637 ( 6.532 -1.813 0.000) 6.779 4.703 ( -1.083 1.240 0.000) 1.646 4.828 ( 0.435 1.744 0.000) 1.798 5.083 ( 0.864 0.078 0.000) 0.868 5.128 ( -1.295 -0.043 0.000) 1.296 5.176 ( 2.329 -1.152 0.000) 2.598 5.178 ( 0.766 -1.307 0.000) 1.515 5.265 ( -1.079 1.077 0.000) 1.524 5.323 ( 2.032 0.723 0.000) 2.156 5.369 ( 0.973 -0.405 0.000) 1.054 5.381 ( 6.291 0.662 0.000) 6.326 5.422 ( 5.989 -0.570 0.000) 6.016 5.497 ( 5.734 1.163 0.000) 5.850 5.532 ( 4.011 -0.008 0.000) 4.011 5.598 ( 3.471 0.968 0.000) 3.604 5.618 ( -1.861 -0.620 0.000) 1.962 5.802 ( -1.777 1.472 0.000) 2.308 5.836 ( -4.193 -2.156 0.000) 4.715 5.985 ( -2.829 -0.678 0.000) 2.909 6.086 ( -0.270 0.400 0.000) 0.482 6.254 ( 0.979 -2.086 0.000) 2.304 6.457 ( 0.431 -0.436 0.000) 0.613 6.472 ( 0.110 -0.232 0.000) 0.257 ======================= Grid point 61 (42/98) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -4.978 14.193 0.000) 15.041 0.971 ( -7.024 12.936 0.000) 14.720 1.224 ( -8.383 4.556 0.000) 9.541 1.230 ( -2.498 2.134 0.000) 3.285 1.337 ( -0.355 3.066 0.000) 3.087 1.451 ( 0.160 5.662 0.000) 5.664 1.502 ( 0.207 1.662 0.000) 1.675 1.646 ( -2.873 0.362 0.000) 2.896 1.680 ( 0.697 -4.651 0.000) 4.702 1.687 ( -0.530 1.405 0.000) 1.502 1.732 ( -1.195 2.897 0.000) 3.134 1.801 ( -8.492 5.461 0.000) 10.096 1.830 ( -6.675 -5.316 0.000) 8.533 1.868 ( -9.079 1.643 0.000) 9.226 2.077 ( 0.522 -3.353 0.000) 3.393 2.183 ( 0.570 -0.125 0.000) 0.584 2.276 ( -4.879 1.194 0.000) 5.023 2.381 ( -2.730 -0.592 0.000) 2.793 2.396 ( -0.204 -0.042 0.000) 0.208 2.435 ( -2.984 3.471 0.000) 4.578 2.444 ( -5.976 5.955 0.000) 8.436 2.489 ( 1.285 0.304 0.000) 1.321 2.539 ( -3.803 6.923 0.000) 7.898 2.597 ( -2.107 -1.819 0.000) 2.783 2.602 ( -2.980 1.456 0.000) 3.317 2.759 ( -2.719 4.033 0.000) 4.864 2.768 ( -2.723 -1.711 0.000) 3.216 2.837 ( -2.737 0.149 0.000) 2.741 2.926 ( -0.319 -0.642 0.000) 0.717 3.062 ( -3.212 -10.167 0.000) 10.662 3.098 ( -2.036 -2.268 0.000) 3.048 3.160 ( -1.677 -0.314 0.000) 1.706 3.175 ( 1.664 3.859 0.000) 4.203 3.287 ( 1.505 -4.402 0.000) 4.652 3.418 ( 1.392 -3.606 0.000) 3.865 3.579 ( 2.548 1.071 0.000) 2.764 4.096 ( -4.170 1.495 0.000) 4.430 4.109 ( -5.965 1.223 0.000) 6.089 4.118 ( -4.207 1.420 0.000) 4.440 4.159 ( -8.337 -1.355 0.000) 8.447 4.390 ( -2.148 -1.464 0.000) 2.600 4.440 ( -0.263 -0.983 0.000) 1.017 4.510 ( -0.555 -2.898 0.000) 2.951 4.684 ( -0.151 1.696 0.000) 1.702 4.788 ( 6.949 -2.668 0.000) 7.444 4.822 ( 0.103 2.253 0.000) 2.256 5.107 ( 1.428 -0.678 0.000) 1.581 5.113 ( -0.486 -0.943 0.000) 1.061 5.193 ( 0.332 -1.029 0.000) 1.081 5.212 ( 0.561 -0.897 0.000) 1.058 5.254 ( 0.644 1.221 0.000) 1.380 5.346 ( 1.241 1.549 0.000) 1.985 5.394 ( 1.045 -0.421 0.000) 1.126 5.482 ( 4.454 1.285 0.000) 4.635 5.525 ( 5.026 1.590 0.000) 5.271 5.563 ( 0.955 0.812 0.000) 1.253 5.586 ( -1.624 -0.350 0.000) 1.661 5.604 ( 3.373 0.709 0.000) 3.447 5.658 ( 2.828 1.201 0.000) 3.072 5.728 ( -4.504 1.950 0.000) 4.908 5.783 ( -2.122 -2.598 0.000) 3.355 5.946 ( -1.351 0.533 0.000) 1.452 6.094 ( 1.007 1.102 0.000) 1.493 6.286 ( 0.807 -3.271 0.000) 3.369 6.456 ( -0.576 -0.309 0.000) 0.654 6.465 ( -0.723 -0.097 0.000) 0.729 ======================= Grid point 62 (43/98) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 13.148 0.000) 13.148 0.834 ( 0.000 17.164 0.000) 17.164 1.105 ( 0.000 5.801 0.000) 5.801 1.194 ( 0.000 2.108 0.000) 2.108 1.310 ( 0.000 5.850 0.000) 5.850 1.464 ( 0.000 23.351 0.000) 23.351 1.487 ( 0.000 6.086 0.000) 6.086 1.496 ( 0.000 1.700 0.000) 1.700 1.668 ( 0.000 3.082 0.000) 3.082 1.705 ( 0.000 0.146 0.000) 0.146 1.721 ( -0.000 -4.262 0.000) 4.262 1.726 ( -0.000 -3.378 0.000) 3.378 1.757 ( 0.000 1.184 0.000) 1.184 1.770 ( -0.000 -2.711 0.000) 2.711 2.111 ( -0.000 -4.357 0.000) 4.357 2.207 ( -0.000 -1.262 0.000) 1.262 2.223 ( -0.000 -0.638 0.000) 0.638 2.310 ( 0.000 11.014 0.000) 11.014 2.357 ( -0.000 -1.154 0.000) 1.154 2.396 ( -0.000 -0.416 0.000) 0.416 2.423 ( -0.000 -0.754 0.000) 0.754 2.470 ( 0.000 6.476 0.000) 6.476 2.493 ( 0.000 2.453 0.000) 2.453 2.570 ( -0.000 -0.037 0.000) 0.037 2.588 ( -0.000 -1.129 0.000) 1.129 2.706 ( 0.000 4.578 0.000) 4.578 2.744 ( -0.000 -0.158 0.000) 0.158 2.817 ( -0.000 -2.653 0.000) 2.653 2.921 ( 0.000 0.126 0.000) 0.126 3.088 ( -0.000 -1.067 0.000) 1.067 3.089 ( -0.000 -10.807 0.000) 10.807 3.153 ( -0.000 -1.194 0.000) 1.194 3.177 ( 0.000 2.233 0.000) 2.233 3.334 ( -0.000 -4.770 0.000) 4.770 3.452 ( -0.000 -3.693 0.000) 3.693 3.598 ( 0.000 0.976 0.000) 0.976 4.038 ( 0.000 1.288 0.000) 1.288 4.047 ( 0.000 1.447 0.000) 1.447 4.047 ( 0.000 1.393 0.000) 1.393 4.078 ( 0.000 1.287 0.000) 1.287 4.378 ( -0.000 -1.664 0.000) 1.664 4.442 ( -0.000 -1.237 0.000) 1.237 4.523 ( -0.000 -3.162 0.000) 3.162 4.673 ( 0.000 2.116 0.000) 2.116 4.810 ( 0.000 2.611 0.000) 2.611 4.881 ( -0.000 -3.585 0.000) 3.585 5.116 ( -0.000 -1.477 0.000) 1.477 5.135 ( -0.000 -1.910 0.000) 1.910 5.202 ( -0.000 -1.017 0.000) 1.017 5.218 ( -0.000 -0.353 0.000) 0.353 5.258 ( 0.000 1.207 0.000) 1.207 5.352 ( 0.000 1.784 0.000) 1.784 5.407 ( -0.000 -0.097 0.000) 0.097 5.519 ( 0.000 1.555 0.000) 1.555 5.554 ( -0.000 -0.400 0.000) 0.400 5.568 ( -0.000 -0.290 0.000) 0.290 5.584 ( 0.000 4.408 0.000) 4.408 5.635 ( 0.000 0.649 0.000) 0.649 5.647 ( 0.000 0.749 0.000) 0.749 5.678 ( 0.000 1.303 0.000) 1.303 5.780 ( -0.000 -1.899 0.000) 1.899 5.924 ( 0.000 2.226 0.000) 2.226 6.097 ( 0.000 1.622 0.000) 1.622 6.315 ( -0.000 -4.156 0.000) 4.156 6.448 ( 0.000 0.066 0.000) 0.066 6.455 ( 0.000 0.079 0.000) 0.079 ======================= Grid point 71 (44/98) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 2.400 0.000 0.000) 2.400 1.351 ( -2.118 -0.000 0.000) 2.118 1.431 ( -7.324 -0.000 0.000) 7.324 1.439 ( -5.267 -0.000 0.000) 5.267 1.523 ( -9.558 -0.000 0.000) 9.558 1.543 ( -2.048 -0.000 0.000) 2.048 1.583 ( -4.621 -0.000 0.000) 4.621 1.649 ( -0.250 -0.000 0.000) 0.250 1.664 ( -4.617 -0.000 0.000) 4.617 1.694 ( -4.729 -0.000 0.000) 4.729 1.862 ( -2.799 -0.000 0.000) 2.799 1.988 ( -8.687 -0.000 0.000) 8.687 2.064 ( 3.635 0.000 0.000) 3.635 2.091 ( -2.909 -0.000 0.000) 2.909 2.300 ( 2.600 0.000 0.000) 2.600 2.338 ( -7.748 -0.000 0.000) 7.748 2.375 ( -2.610 -0.000 0.000) 2.610 2.405 ( 1.680 0.000 0.000) 1.680 2.474 ( -12.418 -0.000 0.000) 12.418 2.551 ( -7.530 -0.000 0.000) 7.530 2.665 ( -1.983 -0.000 0.000) 1.983 2.726 ( -5.027 -0.000 0.000) 5.027 2.777 ( -0.910 -0.000 0.000) 0.910 2.781 ( -3.064 -0.000 0.000) 3.064 2.857 ( 2.273 0.000 0.000) 2.273 2.913 ( -6.283 -0.000 0.000) 6.283 2.976 ( -8.647 -0.000 0.000) 8.647 3.014 ( -7.163 -0.000 0.000) 7.163 3.060 ( -6.442 -0.000 0.000) 6.442 3.132 ( -9.008 -0.000 0.000) 9.008 3.139 ( -1.459 -0.000 0.000) 1.459 3.141 ( 3.908 0.000 0.000) 3.908 3.201 ( 1.169 0.000 0.000) 1.169 3.302 ( -2.490 -0.000 0.000) 2.490 3.381 ( -2.781 -0.000 0.000) 2.781 3.425 ( 2.828 0.000 0.000) 2.828 4.309 ( -3.922 -0.000 0.000) 3.922 4.318 ( -3.714 -0.000 0.000) 3.714 4.368 ( -3.844 -0.000 0.000) 3.844 4.414 ( -3.127 -0.000 0.000) 3.127 4.500 ( -4.465 -0.000 0.000) 4.465 4.509 ( -5.050 -0.000 0.000) 5.050 4.539 ( -3.164 -0.000 0.000) 3.164 4.551 ( 0.008 0.000 0.000) 0.008 4.750 ( -2.512 -0.000 0.000) 2.512 4.832 ( 0.868 0.000 0.000) 0.868 5.076 ( 0.897 0.000 0.000) 0.897 5.098 ( 4.091 0.000 0.000) 4.091 5.133 ( 2.164 0.000 0.000) 2.164 5.172 ( -2.036 -0.000 0.000) 2.036 5.269 ( 5.565 0.000 0.000) 5.565 5.272 ( 2.672 0.000 0.000) 2.672 5.278 ( 3.698 0.000 0.000) 3.698 5.320 ( -1.064 -0.000 0.000) 1.064 5.362 ( -0.177 -0.000 0.000) 0.177 5.402 ( 3.773 0.000 0.000) 3.773 5.478 ( 0.398 0.000 0.000) 0.398 5.556 ( 1.551 0.000 0.000) 1.551 5.645 ( -1.590 -0.000 0.000) 1.590 5.812 ( 1.403 0.000 0.000) 1.403 5.893 ( -3.282 -0.000 0.000) 3.282 6.037 ( -3.078 -0.000 0.000) 3.078 6.117 ( -2.383 -0.000 0.000) 2.383 6.219 ( 1.070 0.000 0.000) 1.070 6.428 ( 2.339 0.000 0.000) 2.339 6.450 ( 2.061 0.000 0.000) 2.061 ======================= Grid point 73 (45/98) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -5.969 7.886 0.000) 9.890 1.289 ( -8.859 4.893 0.000) 10.121 1.332 ( -0.084 8.757 0.000) 8.757 1.333 ( -3.395 -4.716 0.000) 5.811 1.457 ( -0.526 -9.318 0.000) 9.332 1.465 ( -7.105 2.303 0.000) 7.469 1.523 ( 0.045 1.255 0.000) 1.256 1.612 ( -0.439 -4.686 0.000) 4.706 1.623 ( -2.050 -1.778 0.000) 2.714 1.668 ( 0.980 -2.107 0.000) 2.324 1.785 ( -4.767 5.467 0.000) 7.253 1.836 ( -5.322 -3.631 0.000) 6.443 2.044 ( -1.749 0.357 0.000) 1.785 2.124 ( -12.948 -0.002 0.000) 12.948 2.126 ( -15.253 1.093 0.000) 15.292 2.140 ( 2.248 -1.882 0.000) 2.931 2.344 ( 1.862 0.453 0.000) 1.917 2.396 ( -2.047 -0.128 0.000) 2.051 2.439 ( -0.475 0.446 0.000) 0.652 2.448 ( -1.470 -1.193 0.000) 1.893 2.599 ( -4.775 1.182 0.000) 4.919 2.614 ( -6.085 0.307 0.000) 6.093 2.709 ( -5.101 0.740 0.000) 5.154 2.711 ( -4.167 1.280 0.000) 4.360 2.768 ( -8.749 4.753 0.000) 9.956 2.821 ( -8.265 1.621 0.000) 8.423 2.865 ( -2.869 2.208 0.000) 3.620 2.900 ( 1.081 -1.342 0.000) 1.724 2.934 ( -8.104 0.026 0.000) 8.104 3.014 ( -3.572 -4.815 0.000) 5.995 3.106 ( -2.518 -1.293 0.000) 2.831 3.200 ( 2.492 1.656 0.000) 2.992 3.202 ( -0.597 -0.973 0.000) 1.141 3.237 ( -3.926 -0.649 0.000) 3.979 3.354 ( -0.155 -1.054 0.000) 1.065 3.517 ( 5.124 0.226 0.000) 5.129 4.213 ( -5.601 0.538 0.000) 5.627 4.231 ( -5.051 0.502 0.000) 5.076 4.262 ( -7.158 0.743 0.000) 7.196 4.298 ( -8.089 -0.418 0.000) 8.100 4.428 ( -3.674 -0.663 0.000) 3.733 4.439 ( -1.326 -0.079 0.000) 1.328 4.497 ( -1.788 -1.311 0.000) 2.217 4.623 ( 6.471 -0.669 0.000) 6.506 4.712 ( -1.107 0.425 0.000) 1.186 4.841 ( 0.417 0.626 0.000) 0.752 5.084 ( 0.542 0.034 0.000) 0.543 5.129 ( -1.814 0.069 0.000) 1.816 5.166 ( 2.706 -0.525 0.000) 2.757 5.167 ( 1.087 -0.504 0.000) 1.198 5.272 ( -1.202 0.288 0.000) 1.236 5.330 ( 2.698 0.346 0.000) 2.720 5.366 ( 0.638 -0.218 0.000) 0.674 5.392 ( 6.788 1.261 0.000) 6.904 5.412 ( 6.673 -1.118 0.000) 6.766 5.508 ( 6.214 0.642 0.000) 6.247 5.530 ( 3.975 -0.284 0.000) 3.985 5.607 ( 3.686 0.495 0.000) 3.719 5.613 ( -1.753 -0.215 0.000) 1.767 5.813 ( -1.617 0.535 0.000) 1.703 5.818 ( -4.478 -0.884 0.000) 4.565 5.981 ( -2.583 -0.187 0.000) 2.590 6.089 ( -0.145 0.145 0.000) 0.205 6.238 ( 0.776 -0.748 0.000) 1.078 6.454 ( 0.466 -0.137 0.000) 0.485 6.470 ( 0.148 -0.079 0.000) 0.168 ======================= Grid point 74 (46/98) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -9.253 6.179 0.000) 11.126 1.109 ( -3.654 11.084 0.000) 11.671 1.255 ( -6.886 0.634 0.000) 6.915 1.265 ( -2.357 3.771 0.000) 4.447 1.359 ( -1.400 1.070 0.000) 1.762 1.490 ( 2.791 1.420 0.000) 3.131 1.522 ( 0.680 2.086 0.000) 2.194 1.621 ( -0.464 -5.262 0.000) 5.282 1.635 ( -1.771 0.526 0.000) 1.847 1.704 ( 2.061 1.203 0.000) 2.387 1.745 ( -0.713 -3.638 0.000) 3.707 1.777 ( -2.734 -0.989 0.000) 2.907 1.874 ( -5.839 5.252 0.000) 7.854 1.883 ( -9.785 1.097 0.000) 9.846 2.048 ( 0.405 -1.877 0.000) 1.920 2.176 ( 0.394 -0.963 0.000) 1.040 2.301 ( -5.756 3.166 0.000) 6.569 2.376 ( -3.091 -0.325 0.000) 3.108 2.388 ( 0.500 -1.173 0.000) 1.275 2.457 ( -6.087 1.754 0.000) 6.334 2.490 ( 2.461 -0.034 0.000) 2.461 2.525 ( -4.257 6.949 0.000) 8.149 2.581 ( -3.763 0.702 0.000) 3.828 2.617 ( -3.657 1.181 0.000) 3.843 2.617 ( -2.959 5.626 0.000) 6.357 2.731 ( -4.002 -4.809 0.000) 6.256 2.795 ( -2.851 2.593 0.000) 3.854 2.831 ( -3.860 -2.959 0.000) 4.863 2.918 ( 0.106 -0.694 0.000) 0.702 2.974 ( -3.195 -4.367 0.000) 5.411 3.071 ( -1.704 -2.052 0.000) 2.667 3.160 ( -1.797 0.244 0.000) 1.813 3.223 ( 1.731 4.175 0.000) 4.520 3.234 ( 0.485 -4.856 0.000) 4.880 3.378 ( 0.907 -3.434 0.000) 3.552 3.591 ( 2.813 0.917 0.000) 2.959 4.109 ( -4.313 0.873 0.000) 4.401 4.120 ( -6.227 0.745 0.000) 6.272 4.132 ( -4.758 1.100 0.000) 4.884 4.149 ( -6.693 -0.693 0.000) 6.729 4.378 ( -1.926 -0.755 0.000) 2.069 4.434 ( 0.079 -0.235 0.000) 0.248 4.483 ( -0.569 -1.907 0.000) 1.990 4.699 ( -0.110 0.894 0.000) 0.901 4.765 ( 6.686 -1.519 0.000) 6.856 4.842 ( 0.214 1.329 0.000) 1.346 5.100 ( 0.883 -0.542 0.000) 1.036 5.105 ( -0.763 -0.455 0.000) 0.888 5.184 ( 0.515 -0.571 0.000) 0.769 5.202 ( 0.659 -0.830 0.000) 1.060 5.263 ( 0.446 0.557 0.000) 0.714 5.362 ( 1.365 1.322 0.000) 1.900 5.388 ( 1.102 -0.736 0.000) 1.325 5.496 ( 4.425 1.193 0.000) 4.583 5.535 ( 5.933 0.460 0.000) 5.951 5.570 ( 0.033 0.474 0.000) 0.475 5.583 ( -1.404 -0.165 0.000) 1.414 5.609 ( 3.509 0.184 0.000) 3.514 5.671 ( 2.879 1.133 0.000) 3.094 5.745 ( -4.564 1.156 0.000) 4.708 5.760 ( -1.607 -1.668 0.000) 2.316 5.951 ( -0.461 0.405 0.000) 0.613 6.103 ( 1.316 0.656 0.000) 1.470 6.258 ( 0.566 -1.802 0.000) 1.889 6.454 ( -0.371 -0.123 0.000) 0.391 6.464 ( -0.610 -0.046 0.000) 0.612 ======================= Grid point 75 (47/98) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 8.261 0.000) 8.261 1.006 ( 0.000 14.354 0.000) 14.354 1.159 ( 0.000 3.985 0.000) 3.985 1.222 ( 0.000 3.137 0.000) 3.137 1.347 ( 0.000 1.116 0.000) 1.116 1.519 ( 0.000 2.352 0.000) 2.352 1.551 ( 0.000 5.586 0.000) 5.586 1.578 ( -0.000 -2.124 0.000) 2.124 1.650 ( -0.000 -5.873 0.000) 5.873 1.700 ( -0.000 -1.385 0.000) 1.385 1.719 ( 0.000 3.494 0.000) 3.494 1.751 ( -0.000 -0.754 0.000) 0.754 1.768 ( 0.000 0.829 0.000) 0.829 1.805 ( 0.000 17.201 0.000) 17.201 2.071 ( -0.000 -2.955 0.000) 2.955 2.189 ( -0.000 -1.753 0.000) 1.753 2.213 ( -0.000 -1.178 0.000) 1.178 2.346 ( -0.000 -0.855 0.000) 0.855 2.395 ( 0.000 0.334 0.000) 0.334 2.395 ( 0.000 0.942 0.000) 0.942 2.434 ( 0.000 6.343 0.000) 6.343 2.518 ( 0.000 2.071 0.000) 2.071 2.545 ( 0.000 6.947 0.000) 6.947 2.569 ( -0.000 -0.021 0.000) 0.021 2.579 ( -0.000 -0.643 0.000) 0.643 2.717 ( -0.000 -5.045 0.000) 5.045 2.748 ( 0.000 3.223 0.000) 3.223 2.799 ( -0.000 -0.910 0.000) 0.910 2.919 ( -0.000 -0.361 0.000) 0.361 2.975 ( -0.000 -8.832 0.000) 8.832 3.067 ( -0.000 -2.235 0.000) 2.235 3.147 ( -0.000 -0.146 0.000) 0.146 3.217 ( 0.000 4.551 0.000) 4.551 3.272 ( -0.000 -6.120 0.000) 6.120 3.410 ( -0.000 -4.095 0.000) 4.095 3.612 ( 0.000 1.357 0.000) 1.357 4.050 ( 0.000 0.891 0.000) 0.891 4.060 ( 0.000 1.006 0.000) 1.006 4.061 ( 0.000 1.013 0.000) 1.013 4.090 ( 0.000 0.939 0.000) 0.939 4.364 ( -0.000 -0.891 0.000) 0.891 4.435 ( -0.000 -0.191 0.000) 0.191 4.491 ( -0.000 -2.538 0.000) 2.538 4.692 ( 0.000 1.346 0.000) 1.346 4.835 ( 0.000 1.983 0.000) 1.983 4.848 ( -0.000 -2.421 0.000) 2.421 5.103 ( -0.000 -0.983 0.000) 0.983 5.117 ( -0.000 -1.421 0.000) 1.421 5.193 ( -0.000 -0.655 0.000) 0.655 5.211 ( -0.000 -0.830 0.000) 0.830 5.268 ( 0.000 0.599 0.000) 0.599 5.370 ( 0.000 1.465 0.000) 1.465 5.403 ( -0.000 -0.470 0.000) 0.470 5.536 ( 0.000 1.455 0.000) 1.455 5.551 ( -0.000 -0.262 0.000) 0.262 5.565 ( -0.000 -0.180 0.000) 0.180 5.624 ( 0.000 2.867 0.000) 2.867 5.641 ( 0.000 0.431 0.000) 0.431 5.653 ( 0.000 0.499 0.000) 0.499 5.693 ( 0.000 1.235 0.000) 1.235 5.761 ( -0.000 -1.472 0.000) 1.472 5.945 ( 0.000 1.498 0.000) 1.498 6.113 ( 0.000 1.224 0.000) 1.224 6.277 ( -0.000 -2.826 0.000) 2.826 6.449 ( 0.000 0.047 0.000) 0.047 6.456 ( 0.000 0.056 0.000) 0.056 ======================= Grid point 86 (48/98) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -9.577 -0.000 0.000) 9.577 1.186 ( -3.789 -0.000 0.000) 3.789 1.245 ( -4.354 -0.000 0.000) 4.354 1.290 ( -3.435 -0.000 0.000) 3.435 1.364 ( -3.250 -0.000 0.000) 3.250 1.493 ( 2.169 0.000 0.000) 2.169 1.540 ( 0.916 0.000 0.000) 0.916 1.584 ( -0.938 -0.000 0.000) 0.938 1.656 ( 2.725 0.000 0.000) 2.725 1.700 ( -3.126 -0.000 0.000) 3.126 1.711 ( 3.005 0.000 0.000) 3.005 1.781 ( -2.491 -0.000 0.000) 2.491 1.889 ( -10.108 -0.000 0.000) 10.108 1.902 ( -3.115 -0.000 0.000) 3.115 2.038 ( 0.447 0.000 0.000) 0.447 2.169 ( 0.630 0.000 0.000) 0.630 2.324 ( -5.870 -0.000 0.000) 5.870 2.374 ( -3.228 -0.000 0.000) 3.228 2.378 ( 0.898 0.000 0.000) 0.898 2.468 ( -7.323 -0.000 0.000) 7.323 2.490 ( 2.873 0.000 0.000) 2.873 2.554 ( -0.410 -0.000 0.000) 0.410 2.624 ( -3.869 -0.000 0.000) 3.869 2.633 ( -7.655 -0.000 0.000) 7.655 2.634 ( -4.489 -0.000 0.000) 4.489 2.688 ( -4.441 -0.000 0.000) 4.441 2.797 ( -3.008 -0.000 0.000) 3.008 2.810 ( -3.056 -0.000 0.000) 3.056 2.913 ( 0.341 0.000 0.000) 0.341 2.960 ( -3.032 -0.000 0.000) 3.032 3.059 ( -1.539 -0.000 0.000) 1.539 3.164 ( -2.209 -0.000 0.000) 2.209 3.201 ( 0.449 0.000 0.000) 0.449 3.250 ( 1.970 0.000 0.000) 1.970 3.355 ( 0.524 0.000 0.000) 0.524 3.596 ( 2.905 0.000 0.000) 2.905 4.114 ( -4.336 -0.000 0.000) 4.336 4.124 ( -6.386 -0.000 0.000) 6.386 4.141 ( -4.085 -0.000 0.000) 4.085 4.142 ( -7.028 -0.000 0.000) 7.028 4.374 ( -1.817 -0.000 0.000) 1.817 4.433 ( 0.275 0.000 0.000) 0.275 4.472 ( -0.592 -0.000 0.000) 0.592 4.703 ( -0.097 -0.000 0.000) 0.097 4.756 ( 6.617 0.000 0.000) 6.617 4.850 ( 0.268 0.000 0.000) 0.268 5.097 ( 0.691 0.000 0.000) 0.691 5.103 ( -0.858 -0.000 0.000) 0.858 5.181 ( 0.588 0.000 0.000) 0.588 5.197 ( 0.668 0.000 0.000) 0.668 5.266 ( 0.379 0.000 0.000) 0.379 5.372 ( 1.493 0.000 0.000) 1.493 5.381 ( 1.023 0.000 0.000) 1.023 5.504 ( 4.168 0.000 0.000) 4.168 5.537 ( 6.491 0.000 0.000) 6.491 5.573 ( -0.425 -0.000 0.000) 0.425 5.582 ( -1.356 -0.000 0.000) 1.356 5.609 ( 3.724 0.000 0.000) 3.724 5.678 ( 2.866 0.000 0.000) 2.866 5.750 ( -1.411 -0.000 0.000) 1.411 5.752 ( -4.565 -0.000 0.000) 4.565 5.953 ( -0.172 -0.000 0.000) 0.172 6.107 ( 1.434 0.000 0.000) 1.434 6.248 ( 0.483 0.000 0.000) 0.483 6.453 ( -0.307 -0.000 0.000) 0.307 6.464 ( -0.572 -0.000 0.000) 0.572 ======================= Grid point 88 (49/98) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.000 2.794 0.000) 2.794 1.129 ( 0.000 7.185 0.000) 7.185 1.189 ( 0.000 1.416 0.000) 1.416 1.253 ( 0.000 1.902 0.000) 1.902 1.342 ( -0.000 -1.322 0.000) 1.322 1.541 ( -0.000 -2.635 0.000) 2.635 1.544 ( 0.000 2.210 0.000) 2.210 1.590 ( -0.000 -4.344 0.000) 4.344 1.603 ( 0.000 3.430 0.000) 3.430 1.678 ( -0.000 -2.074 0.000) 2.074 1.749 ( 0.000 0.134 0.000) 0.134 1.751 ( 0.000 1.698 0.000) 1.698 1.774 ( 0.000 0.297 0.000) 0.297 1.962 ( 0.000 8.886 0.000) 8.886 2.048 ( -0.000 -1.092 0.000) 1.092 2.174 ( -0.000 -0.720 0.000) 0.720 2.202 ( -0.000 -0.677 0.000) 0.677 2.339 ( -0.000 -0.317 0.000) 0.317 2.384 ( -0.000 -1.208 0.000) 1.208 2.397 ( 0.000 0.147 0.000) 0.147 2.521 ( 0.000 8.298 0.000) 8.298 2.535 ( 0.000 0.820 0.000) 0.820 2.569 ( -0.000 -0.007 0.000) 0.007 2.574 ( -0.000 -0.197 0.000) 0.197 2.600 ( 0.000 0.754 0.000) 0.754 2.647 ( -0.000 -5.547 0.000) 5.547 2.773 ( 0.000 1.175 0.000) 1.175 2.781 ( -0.000 -2.055 0.000) 2.055 2.916 ( -0.000 -0.203 0.000) 0.203 2.922 ( -0.000 -1.351 0.000) 1.351 3.049 ( -0.000 -0.943 0.000) 0.943 3.147 ( 0.000 0.103 0.000) 0.103 3.217 ( -0.000 -3.282 0.000) 3.282 3.262 ( 0.000 2.978 0.000) 2.978 3.370 ( -0.000 -2.707 0.000) 2.707 3.623 ( 0.000 0.580 0.000) 0.580 4.056 ( 0.000 0.318 0.000) 0.318 4.068 ( 0.000 0.359 0.000) 0.359 4.068 ( 0.000 0.370 0.000) 0.370 4.097 ( 0.000 0.345 0.000) 0.345 4.358 ( -0.000 -0.274 0.000) 0.274 4.436 ( 0.000 0.226 0.000) 0.226 4.471 ( -0.000 -1.155 0.000) 1.155 4.702 ( 0.000 0.467 0.000) 0.467 4.830 ( -0.000 -0.846 0.000) 0.846 4.850 ( 0.000 0.756 0.000) 0.756 5.096 ( -0.000 -0.305 0.000) 0.305 5.106 ( -0.000 -0.533 0.000) 0.533 5.189 ( -0.000 -0.229 0.000) 0.229 5.203 ( -0.000 -0.457 0.000) 0.457 5.272 ( 0.000 0.170 0.000) 0.170 5.383 ( 0.000 0.936 0.000) 0.936 5.397 ( -0.000 -0.611 0.000) 0.611 5.547 ( 0.000 0.599 0.000) 0.599 5.549 ( -0.000 -0.092 0.000) 0.092 5.564 ( -0.000 -0.061 0.000) 0.061 5.645 ( 0.000 0.151 0.000) 0.151 5.645 ( 0.000 0.979 0.000) 0.979 5.657 ( 0.000 0.175 0.000) 0.175 5.703 ( 0.000 0.600 0.000) 0.600 5.749 ( -0.000 -0.650 0.000) 0.650 5.956 ( 0.000 0.525 0.000) 0.525 6.122 ( 0.000 0.464 0.000) 0.464 6.256 ( -0.000 -1.003 0.000) 1.003 6.449 ( 0.000 0.017 0.000) 0.017 6.457 ( 0.000 0.020 0.000) 0.020 ======================= Grid point 175 (50/98) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 0.000 0.000 18.774) 18.774 0.409 ( 0.000 0.000 19.877) 19.877 0.729 ( 0.000 0.000 -14.448) 14.448 0.736 ( 0.000 0.000 27.920) 27.920 0.782 ( 0.000 0.000 -9.018) 9.018 1.341 ( 0.000 0.000 -23.082) 23.082 1.421 ( 0.000 0.000 8.303) 8.303 1.524 ( 0.000 0.000 6.899) 6.899 1.583 ( 0.000 0.000 -7.502) 7.502 1.593 ( 0.000 0.000 5.925) 5.925 1.614 ( 0.000 0.000 -3.091) 3.091 1.736 ( 0.000 0.000 -5.254) 5.254 1.808 ( 0.000 0.000 3.818) 3.818 1.867 ( 0.000 0.000 -2.058) 2.058 2.140 ( 0.000 0.000 3.123) 3.123 2.173 ( 0.000 0.000 1.738) 1.738 2.211 ( 0.000 0.000 -1.706) 1.706 2.241 ( 0.000 0.000 -4.276) 4.276 2.298 ( 0.000 0.000 1.565) 1.565 2.357 ( 0.000 0.000 -4.748) 4.748 2.401 ( 0.000 0.000 0.873) 0.873 2.424 ( 0.000 0.000 -1.241) 1.241 2.511 ( 0.000 0.000 7.992) 7.992 2.592 ( 0.000 0.000 1.622) 1.622 2.622 ( 0.000 0.000 -1.180) 1.180 2.652 ( 0.000 0.000 -0.868) 0.868 2.712 ( 0.000 0.000 0.371) 0.371 2.768 ( 0.000 0.000 -9.343) 9.343 2.944 ( 0.000 0.000 3.802) 3.802 3.025 ( 0.000 0.000 -3.621) 3.621 3.168 ( 0.000 0.000 6.583) 6.583 3.255 ( 0.000 0.000 -0.845) 0.845 3.316 ( 0.000 0.000 0.113) 0.113 3.323 ( 0.000 0.000 -0.482) 0.482 3.567 ( 0.000 0.000 3.288) 3.288 3.618 ( 0.000 0.000 -1.450) 1.450 3.993 ( 0.000 0.000 -0.046) 0.046 3.994 ( 0.000 0.000 -0.154) 0.154 4.016 ( 0.000 0.000 0.805) 0.805 4.031 ( 0.000 0.000 -0.602) 0.602 4.537 ( 0.000 0.000 1.981) 1.981 4.547 ( 0.000 0.000 0.622) 0.622 4.610 ( 0.000 0.000 2.373) 2.373 4.627 ( 0.000 0.000 1.211) 1.211 4.736 ( 0.000 0.000 -2.507) 2.507 4.782 ( 0.000 0.000 -6.320) 6.320 5.049 ( 0.000 0.000 2.687) 2.687 5.096 ( 0.000 0.000 -1.943) 1.943 5.262 ( 0.000 0.000 0.616) 0.616 5.274 ( 0.000 0.000 -0.575) 0.575 5.308 ( 0.000 0.000 2.349) 2.349 5.357 ( 0.000 0.000 -2.260) 2.260 5.403 ( 0.000 0.000 2.586) 2.586 5.457 ( 0.000 0.000 -2.691) 2.691 5.574 ( 0.000 0.000 0.232) 0.232 5.575 ( 0.000 0.000 2.968) 2.968 5.579 ( 0.000 0.000 -0.271) 0.271 5.612 ( 0.000 0.000 0.181) 0.181 5.615 ( 0.000 0.000 -0.142) 0.142 5.627 ( 0.000 0.000 -2.099) 2.099 5.721 ( 0.000 0.000 4.411) 4.411 5.814 ( 0.000 0.000 -4.146) 4.146 6.448 ( 0.000 0.000 0.155) 0.155 6.451 ( 0.000 0.000 -0.156) 0.156 6.473 ( 0.000 0.000 0.844) 0.844 6.488 ( 0.000 0.000 -0.561) 0.561 ======================= Grid point 176 (51/98) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 14.373 -0.047 13.818) 19.938 0.654 ( 14.623 -3.608 15.588) 21.676 0.860 ( 8.974 -0.160 -13.586) 16.283 0.927 ( 14.897 -3.285 -11.778) 19.272 0.983 ( 23.139 -7.691 20.627) 31.938 1.345 ( 4.201 -1.438 -5.614) 7.158 1.509 ( 0.275 0.781 2.802) 2.922 1.531 ( 5.164 -0.557 -3.781) 6.425 1.591 ( 2.082 2.006 6.640) 7.242 1.674 ( 7.149 0.006 -5.139) 8.805 1.689 ( 8.331 -3.908 -3.780) 9.948 1.747 ( 1.691 -0.773 -4.094) 4.496 1.894 ( 8.209 0.445 3.947) 9.119 1.957 ( 8.999 1.094 -2.323) 9.358 2.120 ( -0.786 3.643 2.204) 4.330 2.173 ( -0.628 -3.335 1.305) 3.636 2.198 ( -0.922 2.882 -2.977) 4.245 2.248 ( 0.731 -1.855 -5.153) 5.525 2.305 ( 0.950 -1.206 2.530) 2.959 2.368 ( 0.952 -0.481 -3.417) 3.579 2.424 ( 2.452 0.136 1.506) 2.880 2.445 ( 2.111 0.391 -0.550) 2.216 2.515 ( 1.029 -0.479 7.115) 7.205 2.627 ( -0.938 -0.087 2.493) 2.665 2.657 ( 5.328 1.450 0.688) 5.564 2.686 ( 5.431 -0.599 -1.569) 5.685 2.714 ( 0.457 -0.593 -1.418) 1.604 2.769 ( 2.216 0.657 -8.415) 8.726 2.930 ( -0.835 -0.029 3.395) 3.496 3.010 ( -1.931 -2.324 -3.946) 4.970 3.166 ( -0.101 -0.226 6.973) 6.978 3.258 ( 0.458 -0.169 -1.030) 1.139 3.302 ( 0.719 0.347 2.670) 2.787 3.339 ( 1.804 0.895 -1.126) 2.307 3.537 ( -2.764 0.514 2.995) 4.108 3.584 ( -3.094 0.514 -1.454) 3.457 4.046 ( 3.370 -0.336 0.518) 3.426 4.057 ( 3.676 -0.318 -0.428) 3.715 4.091 ( 6.984 -0.257 2.629) 7.466 4.210 ( 11.719 1.087 -11.096) 16.175 4.533 ( 1.080 3.240 1.822) 3.870 4.556 ( 0.452 0.204 -0.161) 0.521 4.598 ( -0.698 -0.359 2.876) 2.981 4.631 ( -0.309 -1.729 1.117) 2.082 4.707 ( -1.980 1.796 -2.045) 3.366 4.754 ( -2.785 -0.853 -4.766) 5.586 5.060 ( 0.600 -1.357 2.229) 2.678 5.102 ( 0.409 -0.629 -1.844) 1.991 5.259 ( -0.039 0.532 0.768) 0.936 5.272 ( -0.177 0.301 -0.363) 0.504 5.305 ( -0.215 0.384 2.361) 2.402 5.340 ( -3.731 -0.459 3.460) 5.110 5.366 ( -1.494 0.024 1.364) 2.023 5.441 ( -2.464 -0.519 -1.624) 2.996 5.444 ( -3.841 -1.189 3.740) 5.491 5.517 ( -4.384 -0.251 -1.188) 4.549 5.556 ( -3.523 -0.203 0.279) 3.540 5.587 ( -1.939 -0.155 -2.489) 3.159 5.644 ( 3.449 0.578 1.559) 3.829 5.659 ( 2.577 -0.335 0.286) 2.615 5.840 ( 2.894 0.443 -1.489) 3.285 5.857 ( 6.121 -0.193 -4.135) 7.389 6.307 ( -6.218 1.586 7.607) 9.952 6.399 ( -3.360 0.858 -2.839) 4.482 6.497 ( 1.121 0.736 1.583) 2.074 6.521 ( 0.634 1.715 -0.817) 2.003 ======================= Grid point 177 (52/98) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 18.185 1.124 8.034) 19.913 0.928 ( 12.910 -4.292 12.601) 18.544 1.081 ( 13.646 0.182 -8.924) 16.306 1.185 ( 10.108 -2.803 -10.594) 14.909 1.479 ( 5.980 -0.154 3.964) 7.176 1.498 ( 7.521 -0.251 1.291) 7.635 1.572 ( 21.049 -5.600 7.016) 22.884 1.657 ( 6.832 2.797 5.821) 9.401 1.686 ( 11.186 -0.419 -3.093) 11.613 1.768 ( 4.366 0.591 -3.175) 5.431 1.847 ( 6.862 -1.444 -0.666) 7.043 1.924 ( 11.352 -1.671 -6.852) 13.365 2.042 ( 5.474 1.306 2.776) 6.275 2.072 ( 1.106 3.973 -1.989) 4.578 2.168 ( 5.720 1.400 0.378) 5.901 2.195 ( 7.196 0.382 0.931) 7.266 2.224 ( 4.729 -3.886 -2.365) 6.562 2.277 ( 0.923 -3.862 -5.071) 6.441 2.352 ( 3.338 -1.212 2.706) 4.465 2.395 ( 1.692 -0.592 -1.294) 2.212 2.480 ( 2.876 0.734 1.141) 3.180 2.494 ( 3.538 -0.260 0.385) 3.568 2.582 ( 5.998 -1.502 4.960) 7.927 2.634 ( 1.749 -0.805 2.984) 3.551 2.725 ( 2.314 0.841 -3.095) 3.955 2.746 ( 3.945 2.085 -4.942) 6.659 2.809 ( 5.705 0.621 -1.525) 5.938 2.826 ( 2.572 1.011 -3.907) 4.786 2.925 ( 0.542 -0.728 2.641) 2.793 3.004 ( -0.038 -5.371 -4.367) 6.922 3.172 ( 0.805 0.016 8.283) 8.322 3.278 ( 1.555 0.264 -1.346) 2.073 3.320 ( 0.876 1.344 2.849) 3.270 3.366 ( 1.235 2.054 -1.528) 2.842 3.464 ( -4.374 0.640 2.343) 5.004 3.501 ( -5.135 0.207 -1.222) 5.283 4.128 ( 4.546 -0.940 0.509) 4.670 4.138 ( 4.627 -0.906 -0.485) 4.740 4.227 ( 6.194 -0.319 3.767) 7.256 4.341 ( 3.658 0.781 -7.299) 8.201 4.552 ( 0.767 2.261 1.799) 2.989 4.556 ( 2.008 1.711 1.596) 3.083 4.600 ( 0.392 -0.580 -0.469) 0.843 4.637 ( -0.004 -1.217 -0.240) 1.240 4.656 ( -2.313 0.218 -0.673) 2.419 4.711 ( -1.607 -1.218 -2.540) 3.243 5.079 ( 0.691 -0.252 1.521) 1.690 5.115 ( 0.599 0.065 -1.830) 1.927 5.253 ( -1.443 0.313 4.070) 4.329 5.259 ( 0.591 0.929 0.937) 1.446 5.287 ( -0.550 0.925 2.225) 2.472 5.302 ( -0.067 0.006 0.767) 0.770 5.356 ( -0.149 0.693 -1.348) 1.523 5.393 ( -2.555 -0.380 -1.611) 3.044 5.402 ( -2.592 -1.328 -0.118) 2.915 5.428 ( -3.974 -1.140 -0.979) 4.248 5.509 ( -1.717 -0.080 0.828) 1.908 5.544 ( -2.404 -0.033 -2.521) 3.484 5.694 ( 2.324 1.071 1.866) 3.167 5.715 ( 2.415 -0.796 0.046) 2.543 5.903 ( 3.696 0.174 0.522) 3.736 5.948 ( 3.862 0.027 -4.273) 5.760 6.227 ( -1.996 1.336 6.844) 7.253 6.333 ( -2.769 1.383 -3.812) 4.910 6.500 ( -0.474 0.683 0.755) 1.124 6.508 ( -1.129 1.129 -0.058) 1.597 ======================= Grid point 178 (53/98) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 11.615 -3.336 8.215) 14.613 1.221 ( 17.234 2.466 3.990) 17.861 1.351 ( 14.540 1.388 -5.134) 15.482 1.375 ( 8.550 -2.379 -6.881) 11.230 1.545 ( 2.944 0.165 2.224) 3.694 1.566 ( 4.090 -1.149 1.185) 4.410 1.774 ( 6.307 3.604 3.183) 7.930 1.800 ( 4.255 2.730 -0.038) 5.055 1.882 ( 4.991 2.958 -0.063) 5.802 1.925 ( 7.489 3.318 -3.010) 8.727 1.995 ( 5.107 3.707 0.241) 6.315 2.033 ( 1.434 6.087 -2.215) 6.634 2.134 ( 8.479 -4.264 0.600) 9.510 2.138 ( 3.994 -1.142 2.057) 4.636 2.265 ( 3.673 -0.892 0.750) 3.854 2.289 ( 0.882 -3.954 -1.088) 4.194 2.334 ( 4.860 1.193 1.315) 5.174 2.398 ( 5.996 -1.456 2.540) 6.672 2.427 ( 4.069 -0.636 0.367) 4.134 2.462 ( 5.668 -4.001 2.645) 7.425 2.552 ( 3.452 0.080 -4.385) 5.581 2.607 ( 8.710 -3.339 -8.704) 12.759 2.704 ( 7.691 -0.132 2.886) 8.216 2.753 ( 6.803 -1.396 -1.838) 7.184 2.770 ( 4.573 -1.878 1.754) 5.246 2.825 ( -0.516 0.009 0.105) 0.527 2.861 ( 8.462 1.933 -2.454) 9.020 2.876 ( 4.883 3.557 -2.601) 6.577 2.988 ( 4.199 -3.541 0.546) 5.520 3.050 ( 0.812 -3.928 -3.981) 5.651 3.194 ( 1.365 0.537 8.971) 9.090 3.289 ( -2.287 0.952 0.434) 2.515 3.319 ( 1.304 0.998 1.010) 1.928 3.347 ( -2.030 0.902 -1.068) 2.465 3.381 ( -3.075 0.206 1.178) 3.299 3.402 ( -4.724 -0.532 -0.622) 4.794 4.225 ( 4.747 -1.888 0.835) 5.176 4.241 ( 5.242 -1.688 -0.644) 5.545 4.318 ( 3.229 -0.316 2.308) 3.982 4.378 ( 1.160 0.160 -3.471) 3.663 4.535 ( -0.868 0.714 3.048) 3.248 4.594 ( -1.362 1.118 -1.546) 2.344 4.614 ( 3.263 1.275 -0.560) 3.548 4.630 ( 2.726 0.618 -1.050) 2.986 4.670 ( 1.000 -1.817 1.448) 2.530 4.704 ( -0.531 -1.928 -1.365) 2.421 5.083 ( -0.161 0.673 1.069) 1.273 5.115 ( -0.602 0.782 -1.912) 2.152 5.236 ( -0.040 0.694 2.859) 2.942 5.269 ( -0.607 1.093 0.920) 1.553 5.275 ( 1.501 2.063 0.237) 2.562 5.311 ( 0.860 0.292 -1.507) 1.760 5.344 ( -0.222 0.478 0.128) 0.542 5.360 ( -1.019 0.366 -0.514) 1.199 5.374 ( -0.625 0.267 0.722) 0.992 5.391 ( 0.088 -0.621 -0.672) 0.920 5.491 ( -0.100 0.157 0.099) 0.211 5.508 ( -1.104 -0.013 -1.423) 1.801 5.720 ( 1.006 1.126 1.769) 2.325 5.747 ( 0.619 -0.398 -0.695) 1.012 5.970 ( 3.247 0.246 0.991) 3.404 6.013 ( 2.900 -0.158 -3.311) 4.404 6.200 ( -0.398 1.155 4.903) 5.053 6.282 ( -1.761 1.443 -3.138) 3.878 6.465 ( -2.834 0.770 0.288) 2.951 6.469 ( -2.513 0.547 0.019) 2.572 ======================= Grid point 179 (54/98) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 6.982 -1.404 5.040) 8.725 1.472 ( 7.719 0.601 -3.028) 8.314 1.539 ( 10.014 2.666 0.971) 10.408 1.589 ( 10.039 2.827 -2.810) 10.801 1.626 ( 6.732 -0.715 4.139) 7.935 1.686 ( 7.309 -2.637 -0.320) 7.777 1.811 ( 1.586 4.388 1.688) 4.962 1.876 ( 2.250 4.918 -2.855) 6.115 1.926 ( 2.548 2.256 2.028) 3.962 1.967 ( 3.092 4.117 -1.794) 5.452 2.027 ( 0.299 4.148 -1.245) 4.341 2.036 ( 2.087 4.930 -1.996) 5.714 2.169 ( 0.481 1.185 5.883) 6.020 2.237 ( 2.308 -0.904 0.319) 2.499 2.282 ( -1.222 1.332 -0.530) 1.884 2.306 ( 1.201 -1.101 -2.756) 3.202 2.337 ( -1.143 1.251 3.998) 4.343 2.428 ( -1.488 -0.836 4.735) 5.033 2.511 ( -0.022 0.433 -7.035) 7.048 2.571 ( 3.400 -2.663 2.137) 4.819 2.671 ( -0.786 0.218 -8.640) 8.678 2.691 ( 5.234 -2.328 -4.009) 6.992 2.790 ( -0.021 -2.378 1.629) 2.883 2.813 ( 0.840 -3.005 -0.962) 3.266 2.923 ( 3.661 0.658 2.023) 4.234 2.975 ( 2.663 -0.059 -1.924) 3.286 2.993 ( 12.131 -1.675 1.330) 12.318 3.024 ( 7.419 -1.292 -0.444) 7.544 3.074 ( 5.664 0.252 0.450) 5.687 3.105 ( 4.995 0.024 -1.912) 5.348 3.192 ( -0.149 -0.155 5.363) 5.367 3.242 ( 2.050 -1.832 -0.644) 2.824 3.321 ( 1.750 -0.124 1.168) 2.108 3.350 ( 0.250 -0.853 -0.293) 0.936 3.364 ( 1.681 -2.262 0.819) 2.935 3.381 ( 3.095 -0.232 1.034) 3.271 4.320 ( 3.651 -1.716 1.177) 4.203 4.344 ( 4.084 -1.462 -0.968) 4.445 4.368 ( 2.111 -1.481 1.264) 2.871 4.399 ( 1.406 -0.678 -1.850) 2.420 4.522 ( 0.009 0.783 2.134) 2.273 4.566 ( -0.623 0.968 -1.987) 2.296 4.673 ( 2.619 0.417 0.177) 2.658 4.679 ( 1.201 0.031 -0.232) 1.224 4.694 ( 1.487 -0.951 0.263) 1.784 4.703 ( -0.273 -1.272 -0.317) 1.339 5.068 ( -0.851 1.242 0.426) 1.565 5.082 ( -1.991 1.461 -0.768) 2.586 5.241 ( 1.126 1.779 -0.177) 2.113 5.251 ( -0.005 1.918 -0.826) 2.088 5.306 ( 2.351 1.290 1.423) 3.036 5.329 ( 0.407 1.049 -0.010) 1.125 5.330 ( -0.104 1.178 -0.302) 1.221 5.337 ( -0.448 1.246 -0.266) 1.351 5.393 ( 2.497 0.043 2.333) 3.418 5.430 ( 2.192 0.403 -1.183) 2.523 5.518 ( 3.513 -0.224 -0.350) 3.538 5.520 ( 3.474 -0.235 -0.502) 3.518 5.724 ( 0.192 1.044 1.303) 1.680 5.749 ( -0.362 0.031 -0.932) 1.001 6.014 ( 1.486 0.650 1.235) 2.039 6.055 ( 1.330 -0.148 -2.772) 3.078 6.192 ( -0.113 0.710 3.255) 3.334 6.247 ( -1.311 1.287 -2.089) 2.782 6.388 ( -4.927 0.597 0.407) 4.979 6.396 ( -4.897 0.426 -0.271) 4.923 ======================= Grid point 180 (55/98) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.596 -0.066 3.468) 4.333 1.547 ( 2.001 -0.182 -3.910) 4.396 1.674 ( 4.349 3.434 1.900) 5.858 1.704 ( 4.316 2.600 0.401) 5.055 1.764 ( 4.583 2.386 1.840) 5.485 1.807 ( 1.464 2.893 -1.012) 3.397 1.835 ( 5.641 0.922 2.306) 6.164 1.860 ( 2.273 3.097 0.038) 3.842 1.951 ( -1.543 2.397 1.029) 3.031 1.980 ( 0.653 3.074 -0.151) 3.147 2.016 ( 0.913 2.099 1.284) 2.624 2.055 ( 2.661 -0.140 -3.628) 4.502 2.172 ( 0.648 0.966 3.344) 3.541 2.254 ( 0.768 3.272 3.280) 4.697 2.271 ( 0.879 0.574 -2.810) 2.999 2.315 ( 1.053 1.204 0.725) 1.756 2.359 ( 2.453 -0.788 -1.840) 3.166 2.407 ( -0.432 -0.336 -0.338) 0.643 2.491 ( -0.954 0.540 -1.858) 2.157 2.591 ( -2.185 -3.828 0.289) 4.417 2.638 ( -1.929 0.627 -6.590) 6.895 2.676 ( -4.709 -3.143 -3.123) 6.465 2.819 ( -0.385 1.349 0.241) 1.423 2.840 ( -1.683 -0.123 -1.417) 2.204 2.915 ( -3.667 -1.049 0.903) 3.919 2.927 ( -2.666 -2.138 -0.268) 3.428 2.969 ( -2.903 1.771 2.507) 4.225 3.010 ( -2.592 0.753 -1.622) 3.149 3.223 ( 3.450 -0.257 5.199) 6.245 3.275 ( 3.746 0.067 -1.131) 3.914 3.333 ( 8.195 -1.799 2.339) 8.710 3.356 ( 1.359 -1.123 1.098) 2.077 3.400 ( 7.240 -2.518 -1.227) 7.763 3.401 ( 10.177 -1.814 -0.621) 10.356 3.481 ( 8.160 -1.050 0.868) 8.273 3.492 ( 6.994 -0.289 0.088) 7.001 4.361 ( 0.477 -0.506 1.178) 1.368 4.388 ( 0.623 -0.172 -1.206) 1.368 4.431 ( 2.575 -2.888 1.173) 4.043 4.453 ( 2.668 -2.146 -0.881) 3.535 4.531 ( 1.546 0.824 1.144) 2.092 4.562 ( 0.751 0.791 -1.654) 1.981 4.666 ( -1.794 -0.636 -0.045) 1.904 4.675 ( -1.583 -0.195 -0.781) 1.776 4.734 ( 2.347 -0.353 0.436) 2.413 4.739 ( 2.176 -0.305 0.073) 2.199 5.036 ( -1.544 1.791 0.038) 2.365 5.039 ( -1.444 1.716 -0.243) 2.256 5.242 ( 0.172 2.543 0.134) 2.552 5.255 ( 1.316 2.433 -1.184) 3.009 5.294 ( -1.194 1.286 1.200) 2.126 5.323 ( 0.234 0.899 -1.594) 1.845 5.354 ( 2.390 0.437 0.692) 2.526 5.363 ( 2.009 0.600 -0.201) 2.107 5.431 ( 1.434 -0.219 1.858) 2.358 5.450 ( 0.518 0.015 -0.148) 0.539 5.633 ( 8.393 -0.284 0.665) 8.424 5.654 ( 8.838 -0.262 -1.253) 8.930 5.721 ( 0.207 0.825 0.936) 1.265 5.740 ( -0.259 0.284 -0.811) 0.898 6.020 ( -0.189 0.954 1.547) 1.827 6.065 ( -0.298 -0.070 -2.667) 2.685 6.181 ( -1.126 0.141 1.960) 2.265 6.215 ( -1.697 0.772 -1.380) 2.320 6.273 ( -6.481 0.634 0.477) 6.530 6.280 ( -6.652 0.405 -0.131) 6.666 ======================= Grid point 181 (56/98) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.665 0.055 3.165) 3.235 1.570 ( 0.491 0.006 -3.609) 3.642 1.677 ( -0.430 2.490 1.969) 3.204 1.721 ( 0.189 1.711 -2.106) 2.720 1.801 ( 0.594 0.605 2.564) 2.701 1.812 ( 0.794 0.849 0.837) 1.432 1.892 ( -0.370 2.250 2.999) 3.767 1.902 ( 1.248 0.873 2.115) 2.607 1.926 ( 2.500 0.737 -0.255) 2.619 1.962 ( -0.489 0.959 1.600) 1.928 2.052 ( 1.572 -0.458 1.107) 1.977 2.086 ( -0.062 -1.796 -4.289) 4.651 2.181 ( 0.490 0.420 0.964) 1.160 2.267 ( 0.101 0.549 0.455) 0.720 2.280 ( 1.793 1.899 -1.492) 3.008 2.344 ( 1.673 0.853 2.636) 3.236 2.405 ( 1.629 -0.370 -2.607) 3.096 2.411 ( 0.284 0.419 -3.402) 3.440 2.491 ( 2.456 2.926 1.939) 4.284 2.552 ( -4.323 -4.730 1.473) 6.575 2.604 ( -1.264 -0.285 -6.508) 6.636 2.608 ( -2.551 -1.105 -4.860) 5.599 2.783 ( -1.612 1.039 0.084) 1.920 2.790 ( -0.640 0.561 -0.615) 1.050 2.830 ( -3.876 -0.738 0.733) 4.013 2.849 ( -3.267 0.034 -0.659) 3.333 2.988 ( 1.406 -0.343 1.436) 2.039 3.004 ( 0.318 -0.362 -0.304) 0.570 3.267 ( 1.488 0.079 4.578) 4.815 3.295 ( -0.369 -0.104 1.480) 1.528 3.381 ( 0.765 -0.456 0.718) 1.144 3.392 ( 0.861 -0.558 -0.457) 1.124 3.558 ( 4.366 -0.187 0.294) 4.380 3.562 ( 4.500 -0.576 -0.200) 4.541 3.598 ( 3.254 -0.226 0.565) 3.310 3.611 ( 3.894 -0.655 -0.669) 4.005 4.362 ( -0.289 -0.216 1.412) 1.458 4.389 ( -0.221 -0.067 -1.013) 1.039 4.478 ( 1.001 -1.344 1.319) 2.132 4.498 ( 0.951 -0.937 -0.418) 1.399 4.572 ( 2.850 0.479 -0.045) 2.890 4.587 ( 2.022 0.219 -1.497) 2.526 4.626 ( -2.647 -0.337 -0.092) 2.670 4.636 ( -2.334 0.151 -0.889) 2.503 4.775 ( 1.203 -0.378 0.285) 1.293 4.777 ( 1.399 -0.630 0.105) 1.538 5.002 ( -1.092 1.273 0.029) 1.677 5.005 ( -0.798 0.977 -0.263) 1.289 5.232 ( 0.129 1.282 0.835) 1.535 5.249 ( -0.597 1.133 -0.341) 1.326 5.291 ( 1.034 0.386 0.503) 1.213 5.320 ( -0.456 0.248 -1.662) 1.741 5.388 ( 1.116 0.268 0.084) 1.150 5.391 ( 0.843 -0.016 -0.427) 0.945 5.454 ( 0.703 -0.164 1.223) 1.420 5.459 ( 0.334 -0.137 0.562) 0.668 5.713 ( 0.030 0.243 0.463) 0.523 5.727 ( -0.074 0.033 -0.876) 0.880 5.812 ( 8.124 -0.162 1.072) 8.196 5.834 ( 7.328 0.130 -0.880) 7.382 6.011 ( 0.366 0.558 1.766) 1.888 6.053 ( -0.993 -0.388 -1.825) 2.113 6.109 ( -5.488 0.246 -0.780) 5.549 6.112 ( -7.455 0.171 -0.749) 7.495 6.195 ( -1.070 0.262 1.458) 1.827 6.209 ( -0.709 0.350 -0.124) 0.800 ======================= Grid point 189 (57/98) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 18.651 0.000 7.430) 20.076 0.904 ( 13.410 0.000 13.112) 18.755 1.083 ( 13.955 0.000 -8.359) 16.267 1.169 ( 10.432 0.000 -10.722) 14.960 1.479 ( 5.782 0.000 4.201) 7.147 1.492 ( 15.581 0.000 3.177) 15.901 1.540 ( 15.665 0.000 6.672) 17.027 1.679 ( 13.175 0.000 -4.305) 13.860 1.680 ( 6.449 0.000 5.483) 8.465 1.772 ( 3.755 0.000 -3.103) 4.871 1.838 ( 7.264 0.000 -1.537) 7.425 1.909 ( 12.772 0.000 -7.267) 14.695 2.052 ( 5.694 0.000 4.021) 6.971 2.102 ( -0.153 -0.000 -2.071) 2.077 2.180 ( 6.912 0.000 0.341) 6.921 2.183 ( 4.115 0.000 0.881) 4.208 2.215 ( 5.180 0.000 -1.711) 5.456 2.246 ( 1.921 0.000 -5.908) 6.212 2.345 ( 3.265 0.000 2.716) 4.247 2.392 ( 1.506 0.000 -1.667) 2.246 2.489 ( 2.020 0.000 1.164) 2.331 2.490 ( 4.005 0.000 1.302) 4.212 2.573 ( 6.093 0.000 4.496) 7.572 2.630 ( 1.561 0.000 2.836) 3.238 2.728 ( 1.378 0.000 -2.774) 3.098 2.768 ( 4.608 0.000 -8.825) 9.955 2.794 ( 6.717 0.000 1.761) 6.944 2.843 ( 2.356 0.000 -2.313) 3.301 2.931 ( 2.328 0.000 -0.476) 2.376 2.962 ( -2.134 -0.000 -2.431) 3.235 3.172 ( 0.939 0.000 8.475) 8.527 3.280 ( 1.722 0.000 -1.363) 2.196 3.328 ( 0.896 0.000 2.878) 3.014 3.377 ( 1.115 0.000 -1.841) 2.152 3.467 ( -4.454 -0.000 2.349) 5.036 3.502 ( -5.438 -0.000 -1.001) 5.530 4.123 ( 4.425 0.000 0.506) 4.454 4.134 ( 4.519 0.000 -0.503) 4.547 4.226 ( 6.241 0.000 3.887) 7.353 4.345 ( 3.269 0.000 -7.809) 8.466 4.563 ( -0.702 -0.000 2.824) 2.910 4.577 ( 2.127 0.000 0.593) 2.208 4.586 ( 1.346 0.000 0.029) 1.347 4.629 ( 0.622 0.000 0.041) 0.624 4.659 ( -2.976 -0.000 -1.542) 3.352 4.704 ( -1.805 -0.000 -2.525) 3.104 5.077 ( 1.100 0.000 1.678) 2.007 5.115 ( 0.834 0.000 -1.865) 2.043 5.255 ( -1.655 -0.000 5.062) 5.326 5.265 ( 0.654 0.000 0.904) 1.116 5.295 ( 0.168 0.000 0.276) 0.323 5.302 ( -0.385 -0.000 1.814) 1.854 5.359 ( 0.013 0.000 -0.996) 0.996 5.388 ( -1.599 -0.000 1.809) 2.414 5.397 ( -3.090 -0.000 -3.690) 4.812 5.421 ( -3.871 -0.000 -1.328) 4.093 5.509 ( -1.652 -0.000 0.926) 1.894 5.544 ( -2.347 -0.000 -2.495) 3.425 5.704 ( 2.153 0.000 1.285) 2.508 5.707 ( 2.627 0.000 0.946) 2.792 5.903 ( 3.650 0.000 0.423) 3.675 5.948 ( 3.809 0.000 -4.412) 5.829 6.234 ( -2.223 -0.000 6.833) 7.185 6.340 ( -2.890 -0.000 -3.864) 4.825 6.504 ( -0.596 -0.000 0.922) 1.098 6.514 ( -1.413 -0.000 -0.150) 1.421 ======================= Grid point 190 (58/98) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 12.498 -1.206 8.507) 15.167 1.242 ( 17.323 1.096 2.741) 17.573 1.357 ( 9.914 -0.626 -6.238) 11.730 1.364 ( 14.752 0.487 -4.598) 15.460 1.547 ( 2.556 0.140 1.966) 3.228 1.557 ( 3.718 -0.446 1.839) 4.172 1.805 ( 6.998 1.786 2.352) 7.595 1.818 ( 3.796 0.674 0.173) 3.860 1.901 ( 3.646 0.645 -0.373) 3.721 1.949 ( 9.256 1.132 -2.742) 9.720 2.038 ( 10.139 4.008 2.338) 11.150 2.082 ( 5.665 -2.866 1.482) 6.519 2.100 ( 3.552 3.264 -2.357) 5.369 2.138 ( 6.125 0.751 -1.605) 6.376 2.237 ( 2.369 -2.871 -0.520) 3.758 2.243 ( 2.430 -3.725 -1.925) 4.846 2.353 ( 6.264 2.255 2.233) 7.022 2.378 ( 6.408 -2.143 1.814) 6.996 2.426 ( 3.438 0.391 3.195) 4.709 2.434 ( 3.884 -1.321 3.238) 5.226 2.556 ( 2.834 0.354 -3.849) 4.793 2.582 ( 8.665 -1.213 -8.368) 12.107 2.702 ( 7.411 -0.128 2.417) 7.796 2.737 ( 9.405 -1.078 0.340) 9.473 2.761 ( 2.071 -0.197 -0.702) 2.195 2.820 ( -2.795 -0.467 -0.859) 2.961 2.892 ( 7.989 3.176 -1.433) 8.716 2.911 ( 6.702 1.644 -3.505) 7.740 2.954 ( 3.305 -2.136 0.282) 3.945 3.011 ( 2.393 -2.769 -3.851) 5.312 3.198 ( 1.514 0.185 9.310) 9.434 3.296 ( -2.533 0.321 0.226) 2.563 3.327 ( 1.062 0.353 1.128) 1.589 3.353 ( -3.345 0.204 -0.594) 3.403 3.385 ( -3.630 0.334 0.454) 3.674 3.397 ( -4.856 -0.372 -0.244) 4.876 4.210 ( 4.615 -0.686 0.875) 4.747 4.228 ( 5.182 -0.615 -0.741) 5.271 4.316 ( 3.232 -0.091 2.426) 4.042 4.379 ( 1.024 0.048 -3.648) 3.789 4.540 ( -0.985 0.203 3.193) 3.348 4.603 ( -1.910 0.451 -2.044) 2.834 4.625 ( 3.056 0.891 -0.286) 3.196 4.634 ( 2.754 -0.204 -0.650) 2.837 4.656 ( 1.399 -0.594 1.024) 1.832 4.688 ( -0.353 -0.808 -1.427) 1.677 5.088 ( 0.028 0.254 1.158) 1.186 5.121 ( -0.391 0.289 -1.901) 1.962 5.240 ( 0.256 0.164 3.559) 3.572 5.278 ( -0.503 0.503 0.856) 1.113 5.294 ( 1.400 1.168 -0.190) 1.833 5.311 ( 0.921 -0.192 -1.455) 1.732 5.348 ( -0.758 0.161 0.126) 0.785 5.360 ( -0.451 -0.138 0.147) 0.494 5.379 ( -0.127 0.500 -0.287) 0.590 5.385 ( 0.659 -0.516 -0.693) 1.087 5.492 ( -0.031 0.062 0.085) 0.110 5.508 ( -1.188 0.014 -1.339) 1.790 5.731 ( 0.957 0.818 1.258) 1.779 5.742 ( 0.797 -0.552 0.238) 0.998 5.972 ( 3.318 0.085 0.706) 3.393 6.012 ( 2.846 -0.075 -3.407) 4.440 6.209 ( -0.621 0.431 5.015) 5.072 6.293 ( -1.938 0.518 -3.241) 3.811 6.472 ( -3.017 0.313 0.235) 3.042 6.473 ( -2.621 0.214 0.146) 2.633 ======================= Grid point 191 (59/98) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 8.053 -0.788 5.250) 9.645 1.472 ( 6.384 -0.246 -4.674) 7.916 1.569 ( 12.005 2.430 1.998) 12.410 1.613 ( 6.285 0.816 1.087) 6.430 1.622 ( 10.468 0.651 0.411) 10.496 1.662 ( 7.507 -1.786 0.214) 7.720 1.851 ( 1.522 2.744 1.902) 3.669 1.916 ( 3.582 2.466 -3.584) 5.635 1.934 ( 1.460 -0.157 2.690) 3.065 2.004 ( 0.089 2.435 -3.143) 3.977 2.073 ( 1.359 2.893 -1.812) 3.674 2.089 ( 0.739 5.048 -2.255) 5.578 2.190 ( 1.065 2.471 3.568) 4.469 2.224 ( 2.947 -1.003 0.644) 3.179 2.279 ( 0.839 -1.375 -0.358) 1.650 2.299 ( 1.860 -0.859 -0.375) 2.083 2.352 ( -1.794 1.450 4.630) 5.172 2.421 ( -1.365 -0.367 6.871) 7.015 2.514 ( 0.126 0.018 -7.152) 7.153 2.548 ( 3.103 -1.564 2.297) 4.166 2.667 ( 6.673 -1.490 -3.756) 7.801 2.673 ( 1.027 -0.013 -9.567) 9.622 2.759 ( -1.577 -2.650 1.231) 3.320 2.780 ( 0.361 -2.665 -1.138) 2.920 2.934 ( 5.898 1.152 2.118) 6.372 2.963 ( 6.692 -1.534 2.051) 7.165 2.991 ( 8.565 0.654 -1.947) 8.808 3.010 ( 7.325 -1.088 -1.252) 7.510 3.084 ( 7.361 1.278 0.092) 7.472 3.107 ( 5.065 0.171 -1.674) 5.338 3.193 ( -1.597 0.366 3.850) 4.184 3.224 ( 0.135 -1.390 -0.732) 1.577 3.313 ( 0.262 -1.082 0.767) 1.352 3.336 ( -0.196 -1.464 -1.255) 1.938 3.348 ( 1.987 -0.551 3.190) 3.799 3.384 ( 3.268 0.416 1.354) 3.562 4.303 ( 4.342 -1.186 1.339) 4.696 4.330 ( 4.742 -0.987 -1.073) 4.962 4.357 ( 1.254 -0.545 1.424) 1.974 4.394 ( 0.636 -0.290 -2.137) 2.249 4.529 ( 0.104 0.484 2.230) 2.284 4.575 ( -0.611 0.616 -2.049) 2.225 4.675 ( 0.857 -0.148 -0.009) 0.870 4.677 ( 0.825 -0.089 0.065) 0.832 4.689 ( 2.709 -0.221 -0.052) 2.719 4.693 ( 1.062 -0.453 -0.150) 1.164 5.078 ( -0.681 0.727 0.508) 1.118 5.095 ( -1.825 0.918 -0.948) 2.252 5.254 ( 1.106 0.676 0.474) 1.380 5.265 ( 0.128 0.711 -0.722) 1.021 5.320 ( 1.782 1.153 0.439) 2.168 5.335 ( 1.819 0.414 -0.659) 1.978 5.342 ( -0.917 0.804 0.630) 1.373 5.347 ( -0.510 0.556 0.048) 0.756 5.394 ( 2.402 0.120 2.199) 3.259 5.434 ( 2.311 0.209 -1.457) 2.740 5.516 ( 3.117 -0.126 -0.257) 3.130 5.518 ( 3.593 -0.110 -0.453) 3.623 5.735 ( 0.083 0.899 0.923) 1.291 5.748 ( -0.234 -0.252 -0.243) 0.421 6.020 ( 1.661 0.366 0.741) 1.855 6.054 ( 1.360 -0.150 -2.691) 3.019 6.198 ( -0.407 0.444 3.554) 3.605 6.258 ( -1.536 0.726 -2.272) 2.837 6.394 ( -5.004 0.368 0.357) 5.030 6.400 ( -4.970 0.262 -0.172) 4.980 ======================= Grid point 192 (60/98) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.884 -0.005 3.410) 4.466 1.546 ( 2.130 -0.125 -3.838) 4.391 1.701 ( 4.343 1.587 2.983) 5.502 1.725 ( 4.485 1.411 1.803) 5.036 1.788 ( 5.250 1.919 -0.232) 5.595 1.817 ( 5.116 -0.230 -1.161) 5.251 1.860 ( 2.814 3.000 2.190) 4.660 1.905 ( 0.043 4.545 -1.603) 4.820 1.960 ( 0.117 -0.305 3.098) 3.115 2.005 ( -0.715 0.830 0.161) 1.107 2.040 ( -1.472 2.317 -1.228) 3.007 2.062 ( -1.173 1.528 -3.625) 4.105 2.189 ( 0.788 2.177 2.870) 3.688 2.266 ( 0.880 -1.519 -3.062) 3.529 2.286 ( 0.393 2.518 3.622) 4.429 2.326 ( 1.617 0.767 2.243) 2.870 2.363 ( 2.965 1.430 -1.139) 3.483 2.403 ( 0.233 -0.404 0.924) 1.035 2.495 ( -0.396 0.307 -1.785) 1.854 2.549 ( -3.109 -3.644 1.315) 4.968 2.631 ( -4.479 -1.851 -3.179) 5.796 2.659 ( -2.351 0.048 -8.645) 8.959 2.818 ( 0.543 -1.133 0.557) 1.374 2.839 ( 1.058 -0.294 -1.913) 2.206 2.900 ( -2.917 -1.657 0.639) 3.415 2.908 ( -4.764 -0.781 -0.305) 4.837 2.994 ( -3.733 2.375 1.916) 4.821 3.025 ( -3.892 1.558 -1.097) 4.334 3.221 ( 3.869 -0.261 5.198) 6.485 3.278 ( 3.272 0.539 -0.714) 3.392 3.313 ( 10.922 -1.761 2.091) 11.259 3.341 ( 1.616 -1.390 0.854) 2.296 3.374 ( 7.198 -2.140 -1.589) 7.676 3.379 ( 10.184 -2.086 -1.349) 10.483 3.474 ( 8.540 -0.271 1.733) 8.719 3.492 ( 7.260 0.270 0.373) 7.275 4.357 ( 0.471 -0.172 1.271) 1.366 4.387 ( 0.666 0.022 -1.317) 1.476 4.402 ( 2.896 -2.244 1.304) 3.889 4.430 ( 2.867 -2.010 -1.153) 3.686 4.541 ( 1.555 0.819 1.247) 2.155 4.572 ( 0.743 0.947 -1.650) 2.042 4.662 ( -1.427 -0.168 0.207) 1.451 4.675 ( -1.085 0.198 -0.904) 1.426 4.730 ( 1.880 -0.407 0.424) 1.970 4.735 ( 1.952 -0.381 -0.001) 1.989 5.053 ( -1.740 1.283 0.013) 2.162 5.055 ( -1.361 1.167 -0.215) 1.806 5.264 ( 0.187 1.407 0.060) 1.421 5.275 ( 1.346 1.295 -1.091) 2.163 5.308 ( -1.910 1.248 0.797) 2.417 5.330 ( -0.586 0.207 -1.375) 1.509 5.358 ( 2.217 0.296 1.053) 2.472 5.371 ( 1.848 0.785 -0.318) 2.033 5.429 ( 1.286 -0.128 1.935) 2.327 5.450 ( 0.252 -0.030 -0.266) 0.368 5.631 ( 8.366 -0.199 0.637) 8.393 5.652 ( 8.835 -0.205 -1.310) 8.934 5.730 ( 0.089 0.775 0.754) 1.085 5.742 ( -0.148 0.093 -0.370) 0.409 6.029 ( -0.200 0.718 0.939) 1.199 6.063 ( -0.355 -0.162 -2.342) 2.374 6.182 ( -1.380 0.155 2.262) 2.654 6.222 ( -2.163 0.554 -1.652) 2.778 6.279 ( -6.416 0.484 0.397) 6.446 6.284 ( -6.566 0.309 0.018) 6.573 ======================= Grid point 193 (61/98) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.605 0.086 3.087) 3.147 1.570 ( 0.557 -0.009 -3.613) 3.655 1.709 ( -1.610 3.168 1.548) 3.876 1.744 ( -0.943 2.407 -1.191) 2.846 1.802 ( -0.212 -0.264 2.332) 2.357 1.824 ( -1.126 1.327 0.564) 1.830 1.908 ( -0.296 0.517 1.117) 1.266 1.918 ( -1.787 2.158 3.321) 4.345 1.933 ( 2.033 0.671 0.243) 2.155 1.971 ( -1.915 0.604 1.931) 2.786 2.037 ( 1.213 -1.917 0.829) 2.415 2.074 ( 1.823 -0.869 -3.774) 4.280 2.191 ( 0.269 1.414 0.872) 1.683 2.271 ( -0.411 0.373 -2.787) 2.841 2.286 ( -0.568 -0.470 1.411) 1.592 2.351 ( 0.720 -0.161 1.112) 1.335 2.388 ( -0.071 -0.879 -0.928) 1.280 2.434 ( 2.039 2.226 -2.773) 4.099 2.495 ( -3.802 -4.028 1.619) 5.771 2.529 ( 3.958 2.413 2.354) 5.199 2.570 ( -2.301 -2.934 -4.985) 6.225 2.629 ( -0.244 1.777 -7.529) 7.739 2.785 ( -2.094 -0.203 0.675) 2.209 2.803 ( -1.418 1.079 -1.318) 2.217 2.821 ( -3.519 -0.619 0.819) 3.666 2.841 ( -3.437 -1.384 -0.869) 3.806 2.992 ( 1.934 0.994 1.435) 2.606 3.007 ( 0.945 0.699 -0.257) 1.204 3.268 ( 1.540 0.001 4.492) 4.749 3.293 ( -0.489 -0.189 1.766) 1.842 3.375 ( 1.228 -0.545 0.586) 1.466 3.385 ( 1.427 -0.539 -0.489) 1.602 3.554 ( 5.810 -0.628 0.069) 5.845 3.557 ( 5.014 -0.280 -0.003) 5.022 3.596 ( 3.045 -0.029 0.367) 3.067 3.604 ( 4.041 -0.596 -0.416) 4.106 4.357 ( -0.302 -0.589 1.421) 1.568 4.386 ( -0.345 -0.395 -1.183) 1.294 4.465 ( 2.341 -1.111 1.397) 2.944 4.487 ( 1.882 -1.033 -0.572) 2.222 4.579 ( 2.783 0.796 0.113) 2.896 4.594 ( 1.968 0.856 -1.330) 2.524 4.625 ( -2.382 0.259 0.069) 2.397 4.640 ( -2.132 0.746 -1.148) 2.533 4.767 ( 1.419 -1.110 0.278) 1.822 4.769 ( 1.194 -0.764 0.119) 1.422 5.015 ( -1.803 1.021 -0.093) 2.074 5.016 ( -1.737 0.908 -0.158) 1.967 5.245 ( -1.151 1.011 0.962) 1.809 5.261 ( -1.830 0.985 0.131) 2.083 5.295 ( 0.781 0.374 -0.156) 0.880 5.320 ( -0.721 -0.157 -1.769) 1.917 5.388 ( 0.722 -0.171 0.244) 0.781 5.393 ( 0.748 0.294 -0.370) 0.884 5.452 ( 0.849 -0.165 1.225) 1.500 5.457 ( 0.413 -0.179 0.537) 0.701 5.717 ( -0.093 0.374 0.307) 0.493 5.727 ( -0.059 -0.038 -0.722) 0.725 5.811 ( 7.969 -0.116 1.262) 8.069 5.835 ( 7.407 0.112 -0.951) 7.469 6.017 ( -0.052 0.561 1.274) 1.393 6.048 ( -1.204 -0.425 -1.360) 1.866 6.112 ( -5.288 0.186 -0.852) 5.360 6.114 ( -7.532 0.143 -0.737) 7.569 6.197 ( -1.389 0.261 1.482) 2.048 6.213 ( -1.063 0.343 -0.177) 1.131 ======================= Grid point 194 (62/98) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -0.689 -0.041 3.224) 3.298 1.570 ( -0.477 0.056 -3.577) 3.610 1.659 ( -1.908 -0.662 2.097) 2.911 1.708 ( -1.936 -0.667 -2.550) 3.270 1.790 ( -1.416 -1.372 2.342) 3.061 1.802 ( -2.275 -1.175 0.740) 2.665 1.870 ( -1.167 -1.796 2.334) 3.168 1.891 ( -1.858 -1.243 1.398) 2.637 1.916 ( -3.217 -0.971 1.091) 3.533 1.954 ( -0.807 -0.531 1.525) 1.806 2.051 ( -1.005 -0.384 1.421) 1.783 2.109 ( 0.985 1.988 -2.533) 3.367 2.183 ( -0.592 0.629 0.864) 1.222 2.244 ( -4.054 -3.229 3.443) 6.222 2.266 ( -0.181 -0.345 -3.650) 3.671 2.331 ( -3.207 -1.842 0.175) 3.702 2.390 ( -0.230 -1.281 -1.652) 2.103 2.425 ( -1.067 0.867 -6.079) 6.233 2.466 ( -0.331 -1.082 2.741) 2.965 2.579 ( 0.936 -2.561 -8.489) 8.916 2.601 ( 4.351 4.092 1.757) 6.226 2.647 ( 3.888 3.510 -2.217) 5.688 2.769 ( -0.047 -1.254 0.743) 1.458 2.786 ( 0.873 -0.514 -0.562) 1.159 2.835 ( 3.897 0.096 0.101) 3.900 2.841 ( 2.760 -1.217 -0.140) 3.019 2.999 ( -0.698 1.489 1.336) 2.119 3.016 ( 0.450 1.610 -0.363) 1.711 3.266 ( -1.504 -0.051 4.544) 4.787 3.295 ( 0.468 -0.038 1.249) 1.335 3.384 ( -0.442 0.209 0.966) 1.083 3.397 ( -0.374 0.411 -0.462) 0.722 3.561 ( -4.054 0.380 0.407) 4.093 3.569 ( -3.743 0.696 -0.442) 3.832 3.600 ( -2.965 0.127 0.720) 3.054 3.616 ( -3.174 0.229 -0.764) 3.272 4.360 ( 0.387 -0.424 1.419) 1.531 4.387 ( 0.182 -0.464 -0.915) 1.042 4.493 ( 0.342 1.284 1.047) 1.692 4.506 ( -0.157 0.448 -0.126) 0.491 4.571 ( -2.825 0.452 0.075) 2.862 4.592 ( -1.887 1.095 -1.652) 2.736 4.632 ( 2.853 0.718 -0.401) 2.969 4.637 ( 2.470 0.305 -0.808) 2.616 4.776 ( -0.961 -0.193 0.424) 1.068 4.780 ( -0.969 -0.155 0.073) 0.984 4.988 ( -0.187 -1.146 0.173) 1.174 4.995 ( -0.230 -0.873 -0.417) 0.994 5.219 ( -1.408 -1.218 0.898) 2.067 5.237 ( -0.795 -1.028 -0.624) 1.441 5.286 ( -1.406 -0.470 0.842) 1.705 5.315 ( -0.034 -0.473 -1.533) 1.605 5.384 ( -1.323 -0.449 0.079) 1.400 5.391 ( -0.947 0.020 -0.711) 1.184 5.455 ( -0.548 0.121 1.200) 1.324 5.460 ( -0.232 0.080 0.622) 0.669 5.712 ( -0.227 -0.033 0.519) 0.567 5.727 ( 0.077 -0.078 -0.891) 0.898 5.814 ( -8.258 0.176 0.876) 8.306 5.832 ( -7.206 -0.122 -0.768) 7.248 6.006 ( -0.831 -0.466 2.136) 2.339 6.056 ( 0.635 0.303 -2.356) 2.458 6.107 ( 5.859 -0.260 -0.595) 5.895 6.110 ( 7.363 -0.157 -0.738) 7.401 6.192 ( 0.750 -0.197 1.442) 1.637 6.206 ( 0.307 -0.262 -0.076) 0.411 ======================= Grid point 195 (63/98) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -2.254 0.171 3.560) 4.217 1.549 ( -1.988 0.056 -3.773) 4.265 1.629 ( -4.708 -4.510 1.629) 6.719 1.668 ( -4.299 -3.788 -1.568) 5.941 1.736 ( -4.582 -2.899 2.611) 6.018 1.769 ( -1.716 -3.389 -0.553) 3.838 1.823 ( -5.511 -1.167 3.601) 6.686 1.849 ( -3.183 0.311 1.150) 3.399 1.914 ( 1.296 -3.829 -0.162) 4.045 1.945 ( -1.313 -3.136 -1.557) 3.739 1.995 ( -4.134 -1.860 3.672) 5.834 2.060 ( -4.663 0.621 -3.175) 5.676 2.168 ( -0.636 0.114 2.639) 2.717 2.218 ( -0.104 -3.297 2.290) 4.016 2.261 ( -1.071 -1.027 -0.296) 1.513 2.301 ( -0.057 -1.381 -0.548) 1.486 2.377 ( -1.862 2.258 -3.144) 4.295 2.409 ( 0.788 -0.062 -2.756) 2.868 2.486 ( 1.443 -0.267 -0.914) 1.729 2.617 ( 1.851 -0.688 -9.874) 10.070 2.640 ( 1.869 2.745 3.408) 4.759 2.713 ( 4.033 3.491 -2.428) 5.861 2.796 ( 0.952 -2.565 1.193) 2.984 2.836 ( 2.403 -0.960 -1.834) 3.172 2.918 ( 3.183 -0.755 1.626) 3.653 2.937 ( 5.205 -0.342 -0.227) 5.221 2.969 ( 0.343 1.692 2.374) 2.935 3.014 ( 1.349 1.427 -1.831) 2.685 3.226 ( -2.897 0.253 5.475) 6.199 3.277 ( -3.552 0.452 -1.140) 3.758 3.349 ( -5.697 1.099 1.811) 6.078 3.363 ( -1.883 0.347 1.204) 2.262 3.416 ( -9.531 1.079 0.265) 9.596 3.426 ( -8.352 2.118 -1.014) 8.676 3.497 ( -7.144 1.853 0.046) 7.380 3.500 ( -6.430 1.204 -0.020) 6.541 4.366 ( -0.254 0.273 1.120) 1.181 4.389 ( -0.480 -0.040 -0.917) 1.036 4.462 ( -2.232 2.550 0.516) 3.427 4.474 ( -2.545 1.485 -0.493) 2.988 4.527 ( -1.424 0.300 1.258) 1.924 4.560 ( -0.824 0.673 -1.669) 1.979 4.675 ( 1.904 0.822 -0.373) 2.107 4.679 ( 1.925 0.552 -0.759) 2.142 4.738 ( -2.557 0.394 0.512) 2.637 4.742 ( -2.198 0.288 0.247) 2.230 5.014 ( 1.419 -2.166 -0.016) 2.589 5.019 ( 1.565 -2.046 -0.290) 2.592 5.211 ( -0.642 -3.041 0.302) 3.122 5.225 ( -1.631 -2.908 -1.056) 3.498 5.278 ( 0.294 -1.603 1.384) 2.138 5.311 ( -0.862 -1.336 -1.655) 2.295 5.347 ( -2.601 -0.776 0.702) 2.803 5.360 ( -2.097 -0.068 -0.701) 2.212 5.434 ( -1.502 0.264 1.740) 2.314 5.450 ( -0.808 -0.025 0.070) 0.811 5.636 ( -8.417 0.303 0.672) 8.449 5.657 ( -8.876 0.239 -1.177) 8.957 5.712 ( -0.298 -0.668 1.040) 1.271 5.737 ( 0.355 -0.330 -1.168) 1.265 6.009 ( 0.123 -1.001 2.169) 2.392 6.065 ( 0.233 -0.068 -3.031) 3.041 6.180 ( 0.845 -0.041 1.589) 1.800 6.206 ( 1.147 -0.805 -0.999) 1.721 6.266 ( 6.572 -0.629 0.567) 6.626 6.276 ( 6.752 -0.392 -0.298) 6.770 ======================= Grid point 196 (64/98) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -5.489 1.681 4.649) 7.388 1.451 ( -11.274 -3.251 1.135) 11.788 1.523 ( -5.317 -0.350 -2.245) 5.782 1.557 ( -9.593 -3.027 -3.894) 10.787 1.635 ( -6.281 0.879 4.791) 7.948 1.718 ( -6.761 3.075 -1.816) 7.646 1.758 ( -1.782 -5.194 1.944) 5.825 1.813 ( -1.590 -6.302 -2.092) 6.828 1.885 ( -4.621 -4.737 2.259) 6.992 1.918 ( -4.214 -4.701 -0.597) 6.342 1.980 ( -1.833 -5.022 0.462) 5.366 2.003 ( -0.554 -0.897 -2.370) 2.594 2.160 ( -0.286 -0.731 5.874) 5.926 2.241 ( -1.481 -0.567 0.004) 1.586 2.256 ( 1.510 -2.538 0.759) 3.050 2.325 ( 1.124 0.649 -2.875) 3.155 2.327 ( -1.207 0.945 1.231) 1.966 2.436 ( 1.712 0.595 0.977) 2.058 2.507 ( 0.002 -0.245 -5.077) 5.083 2.603 ( -3.621 3.163 1.352) 4.995 2.667 ( 1.543 -0.626 -7.322) 7.509 2.714 ( -4.205 1.738 -4.216) 6.203 2.800 ( -0.868 -0.507 2.149) 2.372 2.833 ( -1.702 0.316 -1.144) 2.075 2.923 ( -2.106 0.577 2.548) 3.355 2.976 ( -1.654 0.707 -2.733) 3.272 3.021 ( -7.993 2.936 1.326) 8.618 3.035 ( -2.626 0.858 0.449) 2.799 3.083 ( -8.501 2.152 0.142) 8.770 3.110 ( -6.459 1.165 -1.933) 6.842 3.196 ( -1.816 0.678 7.036) 7.298 3.260 ( -3.759 1.164 0.266) 3.944 3.319 ( -2.686 -0.401 0.308) 2.733 3.349 ( -1.424 -0.901 -0.507) 1.759 3.390 ( -1.873 2.413 0.361) 3.076 3.395 ( -2.720 2.193 0.414) 3.518 4.336 ( -2.637 1.266 1.029) 3.101 4.358 ( -2.936 1.047 -0.892) 3.242 4.390 ( -3.278 2.641 0.751) 4.276 4.410 ( -2.580 1.223 -1.249) 3.117 4.514 ( -0.063 -0.555 2.044) 2.119 4.556 ( 0.372 -0.763 -1.890) 2.072 4.666 ( -3.390 -0.882 0.415) 3.528 4.675 ( -2.323 -0.587 -0.372) 2.425 4.710 ( -0.089 1.872 0.398) 1.916 4.721 ( 1.225 2.027 -0.480) 2.417 5.053 ( 1.196 -1.491 0.297) 1.935 5.065 ( 2.196 -1.579 -0.671) 2.787 5.215 ( -0.939 -2.951 -0.366) 3.118 5.224 ( 0.132 -3.064 -0.801) 3.169 5.294 ( -2.341 -0.961 1.778) 3.093 5.308 ( 1.495 -2.279 0.449) 2.762 5.316 ( -0.732 -1.861 -0.488) 2.059 5.327 ( -0.753 -0.420 -0.995) 1.317 5.393 ( -2.503 0.141 2.308) 3.407 5.425 ( -2.095 -0.525 -0.716) 2.276 5.520 ( -4.238 0.199 -0.379) 4.259 5.524 ( -3.009 0.406 -0.660) 3.107 5.713 ( -0.307 -0.988 1.574) 1.883 5.748 ( 0.477 -0.189 -1.601) 1.681 6.006 ( -1.270 -0.841 1.921) 2.452 6.056 ( -1.287 0.019 -2.866) 3.142 6.184 ( -0.289 -0.702 2.752) 2.855 6.231 ( 0.985 -1.551 -1.794) 2.568 6.381 ( 4.848 -0.638 0.473) 4.913 6.391 ( 4.811 -0.459 -0.389) 4.849 ======================= Grid point 197 (65/98) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -16.028 -1.920 5.150) 16.944 1.234 ( -9.647 5.043 7.142) 13.020 1.336 ( -13.547 -1.254 -5.685) 14.745 1.408 ( -6.967 3.506 -6.721) 10.296 1.544 ( -3.438 -0.013 2.480) 4.240 1.581 ( -5.050 1.748 -0.090) 5.345 1.733 ( -5.584 -3.748 4.058) 7.854 1.757 ( -4.429 -5.177 0.259) 6.818 1.840 ( -4.721 -4.497 0.457) 6.536 1.878 ( -4.553 -4.894 -2.625) 7.181 1.953 ( -2.883 -4.659 -1.189) 5.606 1.982 ( -3.085 -2.758 -3.078) 5.158 2.148 ( -1.982 0.391 5.960) 6.293 2.178 ( -6.273 3.408 1.335) 7.263 2.259 ( -2.962 -1.250 1.028) 3.375 2.316 ( 0.183 0.984 -0.180) 1.017 2.326 ( -3.871 -0.182 -0.888) 3.975 2.413 ( -7.010 1.133 0.705) 7.136 2.436 ( -2.746 1.108 0.259) 2.972 2.511 ( -4.876 3.896 -1.409) 6.398 2.565 ( -5.940 2.922 -2.842) 7.204 2.650 ( -6.856 4.162 -8.626) 11.779 2.702 ( -8.343 -0.487 3.406) 9.025 2.766 ( -6.957 1.106 -2.578) 7.501 2.792 ( -4.735 1.046 1.508) 5.078 2.819 ( -3.990 -0.310 0.219) 4.008 2.838 ( -10.197 -0.862 -0.631) 10.253 2.871 ( -2.829 2.008 -1.881) 3.946 3.026 ( -3.013 3.320 1.098) 4.616 3.090 ( 0.579 3.296 -3.912) 5.148 3.187 ( -1.174 -0.822 8.298) 8.421 3.275 ( 1.790 -1.550 0.814) 2.504 3.306 ( -1.433 -1.409 0.786) 2.158 3.332 ( 0.043 -1.830 -1.442) 2.330 3.382 ( 2.064 0.201 1.558) 2.594 3.407 ( 4.053 0.432 -0.885) 4.171 4.249 ( -4.868 2.553 0.783) 5.552 4.263 ( -5.276 2.314 -0.470) 5.780 4.323 ( -3.333 0.736 1.999) 3.956 4.376 ( -1.448 -0.209 -3.072) 3.402 4.524 ( 0.388 -1.347 2.701) 3.043 4.579 ( 1.265 -1.636 -1.984) 2.866 4.597 ( -4.133 -1.605 0.401) 4.452 4.623 ( -2.767 -0.806 -1.131) 3.097 4.693 ( -0.611 2.388 1.633) 2.957 4.728 ( 0.803 2.563 -1.398) 3.028 5.075 ( 0.483 -0.845 0.871) 1.306 5.105 ( 0.932 -1.061 -1.941) 2.400 5.224 ( 0.502 -1.618 1.708) 2.406 5.248 ( -0.018 -2.463 -0.311) 2.482 5.262 ( -0.309 -0.470 2.297) 2.365 5.305 ( -0.813 -0.754 -1.287) 1.699 5.337 ( 0.232 -0.876 -0.188) 0.925 5.350 ( 1.207 -1.287 -0.793) 1.934 5.375 ( 1.693 0.275 1.514) 2.288 5.397 ( 0.525 0.495 -0.554) 0.910 5.489 ( 0.218 -0.197 0.161) 0.335 5.509 ( 0.942 0.148 -1.613) 1.873 5.707 ( -1.027 -1.167 2.157) 2.659 5.750 ( -0.415 0.149 -1.783) 1.836 5.967 ( -3.128 -0.392 1.532) 3.505 6.014 ( -2.960 0.105 -3.132) 4.311 6.185 ( 0.016 -1.501 4.605) 4.843 6.263 ( 1.447 -2.042 -2.952) 3.870 6.456 ( 2.601 -0.901 0.360) 2.776 6.462 ( 2.366 -0.660 -0.159) 2.461 ======================= Grid point 198 (66/98) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -16.079 1.347 8.078) 18.045 0.994 ( -11.458 7.698 11.983) 18.279 1.084 ( -12.323 1.009 -10.140) 15.991 1.227 ( -9.532 4.744 -9.816) 14.481 1.479 ( -4.263 -0.264 3.122) 5.290 1.500 ( -5.105 0.442 0.957) 5.213 1.607 ( -11.122 -1.639 5.544) 12.535 1.658 ( -11.351 3.376 6.075) 13.309 1.688 ( -8.748 0.935 -2.663) 9.192 1.765 ( -5.139 0.095 -2.330) 5.643 1.864 ( -7.141 1.469 -0.062) 7.291 1.915 ( -7.228 -3.657 -3.725) 8.915 2.028 ( -4.948 -2.003 0.723) 5.387 2.053 ( -5.558 1.640 -0.752) 5.844 2.164 ( -6.160 0.899 -0.390) 6.238 2.183 ( -8.444 -1.684 0.415) 8.621 2.276 ( -4.487 5.183 -2.828) 7.415 2.313 ( -0.745 2.440 -3.949) 4.701 2.370 ( -2.772 1.938 2.084) 3.973 2.405 ( -2.497 1.386 -0.700) 2.940 2.477 ( -3.630 0.325 0.467) 3.675 2.499 ( -4.426 0.929 -0.875) 4.606 2.597 ( -4.837 0.703 5.879) 7.646 2.647 ( -3.430 1.691 2.700) 4.681 2.709 ( -4.082 -1.304 -3.136) 5.310 2.736 ( -1.276 -0.287 -5.306) 5.464 2.772 ( -4.008 -3.840 0.396) 5.564 2.835 ( -2.604 0.882 -5.871) 6.482 2.947 ( -2.029 3.047 4.652) 5.920 3.061 ( -0.630 4.836 -5.589) 7.418 3.172 ( -0.466 -0.122 7.698) 7.713 3.274 ( -1.135 -0.556 -1.341) 1.843 3.300 ( -0.768 -2.183 2.625) 3.500 3.334 ( -1.643 -3.634 -0.572) 4.029 3.453 ( 4.009 -1.219 2.249) 4.756 3.496 ( 4.482 -0.725 -1.703) 4.850 4.143 ( -4.861 1.758 0.515) 5.195 4.153 ( -4.904 1.684 -0.428) 5.202 4.232 ( -6.095 0.575 3.406) 7.006 4.329 ( -4.585 -1.318 -5.967) 7.639 4.523 ( -2.517 -2.798 1.612) 4.094 4.538 ( -1.891 -1.771 1.691) 3.094 4.594 ( 0.107 -1.458 -0.283) 1.489 4.639 ( 2.745 -0.944 -3.856) 4.827 4.668 ( -0.213 2.374 2.824) 3.695 4.730 ( 1.099 2.200 -2.413) 3.445 5.082 ( 0.187 0.254 1.163) 1.205 5.114 ( -0.058 -0.160 -1.757) 1.765 5.243 ( 0.215 -1.741 1.765) 2.489 5.247 ( 0.165 -1.140 1.186) 1.654 5.283 ( 1.472 0.298 4.255) 4.512 5.302 ( 0.511 0.053 0.329) 0.610 5.346 ( 0.334 -1.077 -1.568) 1.931 5.395 ( 3.294 0.082 -2.970) 4.436 5.422 ( 3.086 2.020 1.658) 4.044 5.443 ( 4.267 1.520 -0.457) 4.553 5.511 ( 1.963 0.279 0.550) 2.058 5.545 ( 2.573 0.127 -2.575) 3.642 5.682 ( -2.275 -1.103 2.326) 3.435 5.723 ( -2.331 0.587 -1.289) 2.728 5.900 ( -3.859 -0.378 0.897) 3.980 5.948 ( -3.933 0.003 -3.913) 5.548 6.207 ( 1.470 -2.145 6.718) 7.204 6.311 ( 2.404 -2.480 -3.664) 5.035 6.490 ( 0.266 -0.940 0.387) 1.051 6.493 ( 0.632 -1.450 0.113) 1.585 ======================= Grid point 199 (67/98) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -11.506 5.447 12.964) 18.170 0.723 ( -12.625 8.616 14.567) 21.114 0.877 ( -7.839 3.318 -13.775) 16.193 0.982 ( -12.603 6.161 -11.472) 18.122 1.121 ( -19.482 16.097 16.180) 30.007 1.373 ( -3.688 3.485 -1.631) 5.330 1.501 ( -1.562 -0.248 4.735) 4.992 1.538 ( -4.378 0.461 2.896) 5.270 1.575 ( -1.847 -0.168 -1.733) 2.539 1.672 ( -6.233 0.039 -5.915) 8.593 1.745 ( -7.747 4.529 -4.631) 10.098 1.759 ( -2.082 1.559 -2.889) 3.888 1.885 ( -7.926 -1.154 3.368) 8.688 1.936 ( -8.493 -2.487 -1.954) 9.062 2.084 ( 0.085 -2.124 1.251) 2.467 2.156 ( 1.664 -3.884 -4.341) 6.058 2.213 ( -1.195 3.303 1.313) 3.750 2.265 ( -2.960 1.127 -2.584) 4.088 2.330 ( 0.041 3.111 1.038) 3.280 2.377 ( -0.167 1.083 -2.515) 2.743 2.422 ( -2.447 -0.311 1.099) 2.701 2.437 ( -2.199 -0.950 -0.434) 2.434 2.525 ( -1.533 1.319 7.118) 7.400 2.622 ( -1.281 -1.329 3.132) 3.635 2.646 ( -2.515 -0.132 -1.714) 3.047 2.686 ( -4.834 -0.672 -0.316) 4.890 2.724 ( -0.655 0.801 -1.525) 1.843 2.767 ( -2.500 0.652 -7.671) 8.094 2.931 ( 0.469 0.147 4.485) 4.512 3.045 ( 1.369 3.239 -5.839) 6.817 3.170 ( 0.274 0.482 6.684) 6.707 3.261 ( -0.208 0.269 -0.796) 0.865 3.295 ( -0.186 -0.760 1.787) 1.951 3.318 ( -1.397 -2.799 -0.410) 3.155 3.525 ( 2.572 -1.527 2.710) 4.036 3.573 ( 2.797 -1.444 -1.675) 3.566 4.053 ( -3.462 0.965 0.504) 3.629 4.064 ( -3.767 0.910 -0.413) 3.897 4.096 ( -6.850 0.689 2.367) 7.280 4.190 ( -11.480 -2.223 -7.864) 14.092 4.496 ( -1.468 -3.417 2.278) 4.361 4.532 ( -0.496 -3.151 -0.365) 3.211 4.607 ( 0.269 -0.001 2.104) 2.121 4.651 ( 0.436 1.999 2.554) 3.272 4.689 ( 1.096 -0.781 -2.732) 3.046 4.762 ( 2.698 0.563 -5.708) 6.339 5.082 ( 0.532 2.245 1.245) 2.622 5.113 ( 0.234 1.078 -1.574) 1.922 5.249 ( 0.023 -1.199 1.031) 1.582 5.263 ( 0.256 -1.286 0.179) 1.324 5.303 ( 0.555 0.286 1.840) 1.943 5.347 ( 3.366 0.766 2.270) 4.132 5.363 ( 2.425 -0.467 2.872) 3.788 5.452 ( 2.891 1.419 -2.135) 3.864 5.467 ( 3.231 2.863 3.452) 5.527 5.523 ( 4.018 0.789 -0.765) 4.165 5.561 ( 3.639 0.711 -0.000) 3.708 5.591 ( 2.125 0.449 -2.541) 3.343 5.635 ( -3.166 -0.929 1.679) 3.703 5.663 ( -3.153 0.387 -0.549) 3.223 5.832 ( -3.876 -1.085 -1.183) 4.195 5.861 ( -5.020 0.531 -3.805) 6.321 6.276 ( 4.520 -3.855 8.500) 10.370 6.380 ( 3.179 -2.717 -2.970) 5.130 6.485 ( -1.443 -1.272 0.938) 2.140 6.495 ( -1.662 -2.461 -0.126) 2.972 ======================= Grid point 200 (68/98) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 0.000 10.291 15.931) 18.965 0.462 ( 0.000 8.978 17.619) 19.775 0.758 ( 0.000 5.118 -13.542) 14.477 0.803 ( 0.000 7.446 -8.958) 11.648 0.837 ( 0.000 13.678 23.341) 27.053 1.349 ( 0.000 1.799 -15.801) 15.903 1.431 ( 0.000 1.751 8.011) 8.200 1.521 ( -0.000 -0.638 3.334) 3.395 1.575 ( -0.000 -1.763 1.626) 2.398 1.588 ( 0.000 0.842 -7.285) 7.334 1.648 ( 0.000 4.722 -0.720) 4.777 1.741 ( 0.000 0.883 -4.756) 4.838 1.804 ( -0.000 -0.658 3.540) 3.601 1.857 ( -0.000 -1.710 -1.763) 2.456 2.115 ( -0.000 -3.616 2.662) 4.490 2.181 ( 0.000 1.311 1.488) 1.983 2.214 ( 0.000 0.516 -1.530) 1.615 2.217 ( -0.000 -4.055 -5.085) 6.504 2.317 ( 0.000 3.186 1.797) 3.658 2.372 ( 0.000 2.282 -3.577) 4.243 2.398 ( -0.000 -0.542 0.852) 1.009 2.420 ( -0.000 -0.713 -1.163) 1.364 2.513 ( 0.000 0.292 7.811) 7.817 2.590 ( -0.000 -0.330 1.504) 1.539 2.618 ( -0.000 -0.669 -1.117) 1.302 2.654 ( 0.000 0.562 0.860) 1.028 2.716 ( 0.000 0.704 -0.866) 1.116 2.753 ( -0.000 -1.755 -7.727) 7.924 2.941 ( -0.000 -0.344 4.465) 4.478 3.051 ( 0.000 3.174 -6.278) 7.034 3.171 ( 0.000 0.560 6.272) 6.297 3.258 ( 0.000 0.624 -0.900) 1.095 3.305 ( -0.000 -1.242 0.961) 1.570 3.325 ( -0.000 -0.397 -1.512) 1.563 3.560 ( -0.000 -1.217 3.106) 3.336 3.611 ( -0.000 -1.298 -1.534) 2.009 3.997 ( 0.000 0.701 -0.043) 0.702 3.998 ( 0.000 0.713 -0.157) 0.730 4.020 ( 0.000 0.646 0.798) 1.026 4.035 ( 0.000 0.616 -0.595) 0.857 4.503 ( -0.000 -3.837 2.571) 4.619 4.545 ( -0.000 -2.595 -1.118) 2.825 4.606 ( 0.000 0.721 3.357) 3.433 4.646 ( 0.000 1.955 1.678) 2.576 4.710 ( -0.000 -2.847 -1.487) 3.212 4.790 ( 0.000 0.620 -7.929) 7.953 5.072 ( 0.000 3.409 1.493) 3.722 5.107 ( 0.000 1.756 -1.756) 2.484 5.256 ( -0.000 -0.890 0.904) 1.269 5.271 ( -0.000 -0.800 -0.366) 0.879 5.307 ( 0.000 0.143 2.194) 2.198 5.359 ( 0.000 0.208 -2.494) 2.502 5.417 ( 0.000 2.156 2.810) 3.542 5.470 ( 0.000 2.380 -2.158) 3.212 5.555 ( -0.000 -3.028 5.142) 5.968 5.572 ( -0.000 -0.357 0.235) 0.428 5.577 ( -0.000 -0.345 -0.271) 0.439 5.615 ( 0.000 0.521 0.191) 0.554 5.618 ( 0.000 0.563 -0.155) 0.584 5.625 ( -0.000 -0.327 -2.413) 2.435 5.731 ( 0.000 1.586 2.536) 2.991 5.814 ( 0.000 0.019 -4.123) 4.123 6.417 ( -0.000 -10.595 5.567) 11.968 6.448 ( 0.000 0.034 0.156) 0.160 6.451 ( 0.000 0.038 -0.157) 0.161 6.453 ( -0.000 -3.587 0.003) 3.587 ======================= Grid point 203 (69/98) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 8.435 0.000 5.315) 9.970 1.471 ( 6.317 0.000 -4.953) 8.027 1.584 ( 12.727 0.000 2.101) 12.899 1.612 ( 4.602 0.000 3.442) 5.746 1.632 ( 12.352 0.000 -2.243) 12.554 1.650 ( 6.803 0.000 0.654) 6.834 1.867 ( 1.559 0.000 2.006) 2.540 1.927 ( 1.917 0.000 -3.222) 3.749 1.935 ( 3.368 0.000 2.541) 4.219 2.017 ( -1.319 -0.000 -3.599) 3.833 2.088 ( 2.090 0.000 -2.015) 2.903 2.122 ( -0.710 -0.000 -3.591) 3.660 2.205 ( 1.085 0.000 2.645) 2.859 2.222 ( 2.200 0.000 1.668) 2.761 2.268 ( 2.708 0.000 0.053) 2.709 2.289 ( 3.357 0.000 0.533) 3.399 2.362 ( -2.161 -0.000 4.715) 5.187 2.419 ( -1.435 -0.000 7.401) 7.539 2.513 ( 0.360 0.000 -6.770) 6.779 2.539 ( 2.962 0.000 2.250) 3.720 2.659 ( 8.131 0.000 -3.275) 8.766 2.674 ( 1.533 0.000 -10.412) 10.524 2.743 ( -2.823 -0.000 1.251) 3.088 2.764 ( -0.025 -0.000 -1.361) 1.361 2.945 ( 14.876 0.000 2.448) 15.076 2.950 ( -1.384 -0.000 2.231) 2.626 2.997 ( 16.118 0.000 -1.315) 16.171 3.002 ( -1.002 -0.000 -2.267) 2.478 3.093 ( 9.361 0.000 -0.277) 9.365 3.107 ( 4.791 0.000 -1.597) 5.050 3.196 ( -2.018 -0.000 3.331) 3.894 3.216 ( -0.997 -0.000 -0.641) 1.186 3.306 ( -0.368 -0.000 0.591) 0.696 3.327 ( -0.266 -0.000 -1.275) 1.302 3.346 ( 2.046 0.000 3.724) 4.249 3.386 ( 3.290 0.000 1.453) 3.597 4.296 ( 4.537 0.000 1.406) 4.749 4.324 ( 4.923 0.000 -1.121) 5.049 4.354 ( 1.011 0.000 1.449) 1.767 4.393 ( 0.395 0.000 -2.214) 2.249 4.532 ( 0.152 0.000 2.270) 2.275 4.579 ( -0.586 -0.000 -2.073) 2.154 4.673 ( 0.261 0.000 0.012) 0.262 4.677 ( 0.870 0.000 0.082) 0.874 4.688 ( 2.719 0.000 -0.164) 2.724 4.691 ( 1.776 0.000 -0.088) 1.779 5.083 ( -0.626 -0.000 0.538) 0.825 5.100 ( -1.757 -0.000 -1.040) 2.042 5.257 ( 1.048 0.000 0.854) 1.352 5.269 ( 0.184 0.000 -0.741) 0.763 5.327 ( 1.251 0.000 -0.058) 1.253 5.337 ( 2.125 0.000 -0.702) 2.238 5.347 ( -0.307 -0.000 0.747) 0.808 5.350 ( -0.851 -0.000 0.296) 0.901 5.395 ( 2.325 0.000 2.102) 3.135 5.435 ( 2.364 0.000 -1.541) 2.822 5.515 ( 3.054 0.000 -0.222) 3.062 5.518 ( 3.533 0.000 -0.436) 3.560 5.742 ( 0.083 0.000 0.507) 0.513 5.744 ( -0.223 -0.000 0.290) 0.366 6.022 ( 1.731 0.000 0.561) 1.819 6.053 ( 1.368 0.000 -2.658) 2.990 6.201 ( -0.514 -0.000 3.650) 3.686 6.262 ( -1.616 -0.000 -2.334) 2.839 6.396 ( -5.037 -0.000 0.339) 5.048 6.401 ( -4.999 -0.000 -0.133) 5.001 ======================= Grid point 204 (70/98) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 3.051 0.006 3.381) 4.555 1.545 ( 2.214 -0.042 -3.776) 4.377 1.711 ( 4.787 0.359 4.034) 6.270 1.735 ( 4.078 0.522 1.715) 4.454 1.804 ( 5.907 0.997 -1.035) 6.079 1.813 ( 5.850 -0.426 -1.259) 5.999 1.886 ( 2.126 1.457 2.579) 3.646 1.940 ( 0.622 0.725 -0.598) 1.127 1.964 ( -0.674 2.436 1.215) 2.804 1.995 ( -0.399 -2.260 -1.183) 2.582 2.065 ( -3.526 1.816 -0.852) 4.057 2.077 ( -3.493 0.649 -3.284) 4.838 2.216 ( 0.568 2.482 1.378) 2.895 2.244 ( 1.307 -2.358 -1.221) 2.959 2.305 ( -1.044 0.820 3.686) 3.918 2.332 ( 1.595 0.221 3.328) 3.697 2.381 ( 3.964 1.259 -0.682) 4.215 2.400 ( 0.776 -0.226 0.424) 0.913 2.497 ( 0.075 0.043 -0.987) 0.991 2.518 ( -3.927 -1.744 1.663) 4.608 2.615 ( -5.361 -0.812 -3.421) 6.412 2.662 ( -1.500 0.225 -9.807) 9.924 2.807 ( 1.619 -0.605 0.669) 1.853 2.832 ( 3.217 -0.683 -1.833) 3.764 2.888 ( -4.160 -0.488 0.902) 4.284 2.905 ( -5.029 -0.065 -0.989) 5.126 3.014 ( -4.298 1.096 1.497) 4.682 3.038 ( -4.812 0.746 -0.662) 4.915 3.218 ( 4.078 -0.147 5.377) 6.750 3.283 ( 3.307 0.237 0.900) 3.435 3.299 ( 11.811 -0.550 0.509) 11.835 3.329 ( 2.061 -0.672 0.554) 2.237 3.357 ( 6.507 -0.740 -1.685) 6.762 3.361 ( 11.541 -1.133 -1.832) 11.740 3.473 ( 8.659 -0.023 2.215) 8.937 3.495 ( 7.299 0.180 0.556) 7.322 4.358 ( -0.022 0.283 1.324) 1.354 4.381 ( 3.374 -1.067 1.328) 3.780 4.392 ( 0.289 0.320 -1.437) 1.500 4.412 ( 3.470 -1.159 -1.215) 3.854 4.547 ( 1.562 0.313 1.344) 2.084 4.580 ( 0.756 0.384 -1.671) 1.874 4.662 ( -1.125 0.030 0.340) 1.176 4.678 ( -0.701 0.182 -1.028) 1.258 4.727 ( 1.511 -0.217 0.457) 1.593 4.731 ( 1.769 -0.198 -0.022) 1.781 5.063 ( -1.899 0.484 -0.046) 1.960 5.064 ( -1.331 0.416 -0.187) 1.407 5.273 ( 0.543 0.330 0.144) 0.651 5.284 ( 1.108 0.394 -0.885) 1.472 5.320 ( -1.866 1.004 0.028) 2.119 5.328 ( -1.332 -0.448 -0.749) 1.593 5.361 ( 2.011 0.175 1.152) 2.324 5.378 ( 1.770 0.320 -0.517) 1.872 5.428 ( 1.149 -0.037 1.959) 2.271 5.449 ( 0.080 -0.030 -0.288) 0.300 5.629 ( 8.347 -0.071 0.612) 8.370 5.650 ( 8.849 -0.078 -1.339) 8.950 5.737 ( -0.088 0.476 0.490) 0.689 5.742 ( 0.015 -0.149 0.057) 0.160 6.035 ( -0.178 0.284 0.546) 0.641 6.062 ( -0.399 -0.098 -2.132) 2.171 6.184 ( -1.529 0.067 2.429) 2.871 6.226 ( -2.433 0.200 -1.788) 3.026 6.283 ( -6.371 0.187 0.343) 6.383 6.286 ( -6.525 0.112 0.111) 6.527 ======================= Grid point 205 (71/98) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.547 0.071 3.026) 3.076 1.570 ( 0.597 -0.011 -3.556) 3.606 1.740 ( -1.171 2.372 1.612) 3.098 1.766 ( -0.165 0.963 0.843) 1.291 1.803 ( -2.837 1.044 0.227) 3.031 1.834 ( -2.330 0.208 -1.035) 2.558 1.913 ( -2.635 0.528 1.323) 2.995 1.936 ( -2.411 0.976 1.272) 2.895 1.942 ( 0.468 0.764 3.106) 3.232 1.977 ( -2.194 0.599 0.849) 2.428 2.022 ( 1.752 -0.573 0.896) 2.050 2.059 ( 2.482 -2.078 -0.445) 3.268 2.206 ( -0.552 0.905 0.607) 1.222 2.276 ( 0.162 0.592 -4.532) 4.573 2.282 ( -1.268 0.064 2.047) 2.409 2.333 ( -0.462 -2.459 -1.040) 2.710 2.393 ( -1.095 1.259 1.074) 1.984 2.439 ( -2.401 -2.426 -1.899) 3.905 2.469 ( 1.524 0.718 1.123) 2.025 2.542 ( -1.602 -1.601 -3.776) 4.403 2.556 ( 4.713 1.540 -0.312) 4.968 2.644 ( 0.129 0.946 -6.672) 6.740 2.784 ( -1.854 0.049 1.256) 2.240 2.806 ( -3.155 -0.189 -0.117) 3.163 2.822 ( -3.038 -0.563 -0.198) 3.096 2.824 ( -2.548 -0.528 -1.583) 3.046 3.005 ( 1.943 1.142 1.160) 2.535 3.015 ( 1.395 0.639 -0.088) 1.537 3.267 ( 1.671 -0.083 4.342) 4.653 3.291 ( -0.724 -0.139 1.992) 2.124 3.370 ( 1.649 -0.358 0.580) 1.784 3.381 ( 1.877 -0.326 -0.506) 1.971 3.547 ( 7.117 -0.563 0.120) 7.140 3.554 ( 5.813 -0.303 -0.265) 5.826 3.597 ( 2.651 0.127 0.246) 2.665 3.599 ( 3.697 -0.236 -0.101) 3.706 4.351 ( -0.432 -0.418 1.437) 1.557 4.382 ( -0.548 -0.294 -1.330) 1.469 4.455 ( 3.318 -0.699 1.400) 3.669 4.478 ( 2.602 -0.691 -0.629) 2.764 4.586 ( 2.610 0.457 0.373) 2.675 4.602 ( 1.814 0.583 -1.210) 2.257 4.631 ( -1.963 0.585 0.078) 2.050 4.650 ( -1.741 0.930 -1.493) 2.475 4.755 ( 1.170 -1.005 0.521) 1.628 4.760 ( 1.043 -0.693 -0.004) 1.252 5.023 ( -2.017 0.518 -0.061) 2.083 5.024 ( -2.484 0.601 -0.218) 2.565 5.254 ( -2.156 0.531 1.296) 2.571 5.269 ( -2.423 0.527 0.617) 2.555 5.300 ( 0.311 0.571 -1.063) 1.246 5.316 ( -0.563 -0.530 -1.731) 1.896 5.386 ( 0.497 -0.106 0.458) 0.684 5.396 ( 0.424 0.176 -0.511) 0.687 5.450 ( 0.959 -0.102 1.208) 1.546 5.455 ( 0.486 -0.142 0.565) 0.758 5.721 ( -0.118 0.372 0.075) 0.398 5.726 ( -0.059 -0.145 -0.477) 0.502 5.810 ( 7.841 -0.059 1.404) 7.965 5.836 ( 7.443 0.066 -0.980) 7.508 6.023 ( -0.323 0.426 0.782) 0.948 6.044 ( -1.313 -0.352 -0.979) 1.675 6.113 ( -5.141 0.103 -0.874) 5.216 6.115 ( -7.657 0.079 -0.700) 7.690 6.200 ( -1.623 0.165 1.504) 2.218 6.216 ( -1.301 0.214 -0.218) 1.336 ======================= Grid point 206 (72/98) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.709 -0.041 3.242) 3.319 1.571 ( -0.413 0.122 -3.715) 3.740 1.663 ( -4.546 1.272 1.882) 5.082 1.707 ( -4.034 0.377 -2.349) 4.683 1.770 ( -2.335 -2.336 1.769) 3.747 1.786 ( -3.331 -1.847 0.611) 3.857 1.851 ( -2.420 -1.645 1.700) 3.384 1.880 ( -2.175 -0.372 -0.266) 2.223 1.908 ( -3.109 -0.538 3.317) 4.578 1.951 ( -1.588 -0.067 1.968) 2.530 2.046 ( -0.940 -0.419 2.902) 3.079 2.124 ( 2.440 0.725 0.395) 2.576 2.188 ( -1.135 0.175 0.213) 1.168 2.220 ( -4.720 -0.597 -0.020) 4.758 2.264 ( -0.707 -0.193 -1.717) 1.867 2.302 ( -4.584 -3.140 -1.870) 5.863 2.379 ( 1.405 -0.875 -3.219) 3.620 2.427 ( -0.010 -0.156 -1.296) 1.305 2.471 ( -0.107 1.562 -1.623) 2.255 2.550 ( 0.813 -2.756 -7.645) 8.168 2.640 ( 4.235 3.125 1.375) 5.439 2.678 ( 4.355 1.988 -1.678) 5.073 2.759 ( -0.942 -0.544 1.500) 1.853 2.780 ( 0.483 -0.543 -0.400) 0.829 2.823 ( 2.706 -1.708 0.644) 3.264 2.837 ( 3.426 0.035 -1.001) 3.569 3.016 ( -0.304 1.517 1.412) 2.095 3.035 ( 0.957 1.705 -0.468) 2.011 3.266 ( -1.538 0.013 4.419) 4.679 3.294 ( 0.727 -0.122 1.126) 1.346 3.385 ( -0.299 0.029 1.228) 1.264 3.400 ( -0.056 0.219 -0.504) 0.552 3.566 ( -4.085 0.594 0.452) 4.153 3.577 ( -3.342 0.730 -0.581) 3.470 3.600 ( -2.416 -0.034 0.689) 2.512 3.615 ( -2.263 -0.331 -0.710) 2.395 4.354 ( 0.488 -0.623 1.424) 1.629 4.380 ( 0.153 -0.610 -0.901) 1.099 4.504 ( 0.991 0.622 0.586) 1.309 4.508 ( 0.361 0.021 0.144) 0.390 4.581 ( -2.256 1.260 0.547) 2.642 4.608 ( -1.312 1.722 -1.519) 2.645 4.640 ( 2.850 0.684 -0.791) 3.036 4.641 ( 2.485 0.651 -1.163) 2.820 4.771 ( -0.564 -0.646 0.510) 0.998 4.774 ( -0.298 -0.861 0.247) 0.944 4.978 ( -1.612 -0.733 0.267) 1.791 4.987 ( -1.286 -0.587 -0.540) 1.513 5.207 ( -2.410 -0.836 1.013) 2.744 5.227 ( -1.984 -0.733 -0.733) 2.239 5.282 ( -1.809 -0.414 0.995) 2.105 5.310 ( -0.539 -0.440 -1.449) 1.607 5.379 ( -1.405 -0.373 0.126) 1.459 5.391 ( -1.027 -0.071 -1.004) 1.438 5.456 ( -0.416 0.071 1.167) 1.241 5.461 ( -0.120 0.034 0.674) 0.686 5.712 ( -0.439 0.120 0.476) 0.659 5.726 ( 0.079 -0.104 -0.778) 0.789 5.816 ( -8.350 0.141 0.712) 8.381 5.831 ( -7.074 -0.091 -0.648) 7.104 6.001 ( -1.234 -0.307 2.351) 2.673 6.059 ( 0.184 0.189 -2.881) 2.893 6.104 ( 6.368 -0.201 -0.316) 6.379 6.109 ( 7.243 -0.111 -0.723) 7.280 6.190 ( 0.502 -0.113 1.440) 1.529 6.204 ( -0.046 -0.144 -0.048) 0.158 ======================= Grid point 207 (73/98) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -1.877 0.260 3.692) 4.150 1.545 ( -3.419 -1.105 -1.847) 4.040 1.585 ( -4.347 -3.021 0.083) 5.294 1.627 ( -5.279 -3.594 -2.464) 6.845 1.703 ( -4.868 -2.941 1.880) 5.990 1.737 ( -2.534 -2.520 -1.090) 3.737 1.817 ( -5.369 0.028 5.891) 7.970 1.850 ( -1.447 -0.387 1.837) 2.370 1.878 ( 0.263 -2.605 -0.218) 2.627 1.917 ( -2.311 -2.044 -0.834) 3.197 1.977 ( -5.879 -1.193 3.200) 6.799 2.064 ( -6.271 -0.147 -3.287) 7.081 2.172 ( -1.025 0.513 1.386) 1.799 2.186 ( 0.357 -2.403 1.510) 2.860 2.253 ( -0.378 -0.452 2.032) 2.116 2.286 ( 0.901 -1.311 -1.081) 1.923 2.397 ( -2.091 0.359 -6.667) 6.996 2.413 ( 1.701 1.780 -1.945) 3.138 2.486 ( 1.660 0.415 -0.757) 1.871 2.596 ( 2.420 -2.559 -8.429) 9.135 2.677 ( 1.470 3.499 2.799) 4.715 2.747 ( 2.870 2.587 -3.274) 5.065 2.770 ( 1.067 -1.851 2.546) 3.324 2.819 ( 2.139 -2.079 -1.829) 3.499 2.904 ( 3.558 -1.512 2.208) 4.452 2.931 ( 5.434 -0.579 -0.584) 5.495 2.990 ( -0.307 1.856 2.328) 2.993 3.034 ( 0.655 2.003 -1.817) 2.783 3.229 ( -2.432 0.233 5.864) 6.352 3.283 ( -2.907 0.654 -0.953) 3.128 3.355 ( -3.480 0.023 1.398) 3.751 3.366 ( -3.445 0.240 0.500) 3.490 3.426 ( -9.578 0.740 0.896) 9.648 3.445 ( -8.647 1.326 -0.903) 8.795 3.513 ( -5.268 1.337 0.285) 5.442 3.520 ( -6.238 1.991 -0.453) 6.563 4.367 ( 0.160 -0.124 1.101) 1.120 4.386 ( -0.205 -0.379 -0.634) 0.767 4.478 ( -2.356 0.464 -0.092) 2.403 4.485 ( -2.616 0.551 -0.525) 2.724 4.544 ( -0.833 2.789 1.512) 3.281 4.578 ( -0.866 2.439 -1.435) 2.959 4.681 ( 1.245 0.125 -0.673) 1.421 4.685 ( 1.572 0.409 -0.940) 1.877 4.744 ( -1.894 0.758 0.623) 2.133 4.746 ( -1.448 0.627 0.520) 1.661 4.989 ( 1.453 -2.422 -0.020) 2.825 4.996 ( 1.439 -2.134 -0.484) 2.619 5.180 ( -1.294 -2.561 0.468) 2.907 5.195 ( -2.273 -2.533 -0.948) 3.533 5.260 ( -0.572 -1.641 1.647) 2.395 5.296 ( -1.353 -1.391 -1.646) 2.544 5.340 ( -2.747 -0.570 0.709) 2.894 5.360 ( -2.090 -0.067 -1.264) 2.443 5.437 ( -1.488 0.239 1.613) 2.207 5.449 ( -1.074 -0.011 0.304) 1.116 5.640 ( -8.428 0.246 0.653) 8.457 5.659 ( -8.923 0.160 -1.101) 8.992 5.707 ( -0.387 -0.401 1.084) 1.219 5.734 ( 0.431 -0.258 -1.383) 1.471 5.999 ( 0.019 -0.839 2.664) 2.793 6.063 ( 0.165 -0.153 -3.367) 3.375 6.180 ( 0.615 0.087 1.219) 1.368 6.198 ( 0.618 -0.684 -0.575) 1.087 6.260 ( 6.682 -0.494 0.651) 6.731 6.272 ( 6.836 -0.299 -0.446) 6.857 ======================= Grid point 208 (74/98) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -8.920 -2.030 3.439) 9.773 1.419 ( -6.260 0.128 3.613) 7.229 1.514 ( -7.193 -2.293 -3.503) 8.323 1.536 ( -4.188 0.103 -4.422) 6.091 1.640 ( -4.813 -0.573 4.241) 6.441 1.701 ( -3.442 -4.028 1.004) 5.392 1.734 ( -2.457 -3.561 -1.498) 4.578 1.771 ( -6.748 1.453 -1.288) 7.022 1.834 ( -4.802 -4.278 2.877) 7.045 1.871 ( -3.965 -3.800 -0.011) 5.492 1.929 ( -2.148 -4.254 3.569) 5.953 1.998 ( -0.975 -0.385 -3.481) 3.635 2.152 ( -1.003 -0.818 3.697) 3.917 2.206 ( -0.455 -4.294 -0.528) 4.350 2.255 ( 0.692 1.014 2.791) 3.049 2.320 ( 1.514 -0.408 1.071) 1.899 2.351 ( -1.377 1.942 -4.351) 4.960 2.442 ( 1.614 0.654 -2.571) 3.106 2.507 ( 0.257 0.288 -2.701) 2.728 2.638 ( -3.467 3.049 -1.738) 4.933 2.657 ( 1.569 -1.061 -4.022) 4.445 2.725 ( -4.596 0.132 -3.203) 5.604 2.788 ( -1.108 -1.136 1.598) 2.252 2.821 ( -3.079 -2.304 -1.333) 4.070 2.930 ( -1.093 0.583 3.372) 3.593 2.989 ( 0.432 1.387 -2.594) 2.973 3.041 ( 1.577 0.600 0.948) 1.935 3.050 ( -1.541 1.921 0.135) 2.466 3.118 ( -11.001 3.817 -0.083) 11.644 3.132 ( -8.343 2.896 -1.199) 8.913 3.205 ( -3.938 0.980 7.920) 8.899 3.264 ( -5.008 -0.313 1.617) 5.272 3.315 ( -3.673 -0.254 -0.813) 3.771 3.336 ( -1.893 -1.349 -1.313) 2.670 3.415 ( -2.707 2.163 0.261) 3.475 3.421 ( -3.009 2.282 0.219) 3.783 4.348 ( -2.035 0.851 0.861) 2.368 4.366 ( -2.088 0.390 -0.734) 2.248 4.419 ( -3.499 2.198 -0.032) 4.133 4.423 ( -3.071 1.008 -0.613) 3.290 4.515 ( -0.752 0.861 1.934) 2.247 4.553 ( -0.612 0.245 -1.662) 1.788 4.655 ( -3.799 -1.201 0.622) 4.033 4.666 ( -2.827 -1.151 -0.312) 3.068 4.734 ( 0.542 2.458 0.389) 2.547 4.745 ( 1.775 2.457 -0.594) 3.089 5.036 ( 1.802 -1.557 0.089) 2.384 5.048 ( 2.463 -1.611 -0.752) 3.038 5.179 ( -0.527 -3.360 -0.021) 3.402 5.189 ( 0.360 -3.095 -0.652) 3.183 5.279 ( 0.238 -2.358 0.525) 2.427 5.285 ( -0.021 -1.534 0.876) 1.767 5.296 ( -1.582 -1.617 0.300) 2.282 5.325 ( -1.192 -0.139 -1.508) 1.928 5.396 ( -2.467 0.286 2.123) 3.267 5.419 ( -2.080 -0.549 -0.128) 2.155 5.522 ( -4.589 0.161 -0.322) 4.603 5.529 ( -2.800 0.446 -0.886) 2.970 5.703 ( -0.432 -0.775 1.758) 1.970 5.745 ( 0.552 -0.219 -2.156) 2.236 5.997 ( -1.076 -0.876 2.628) 2.971 6.056 ( -1.252 -0.125 -2.952) 3.209 6.177 ( -0.688 -0.468 2.113) 2.271 6.214 ( 0.639 -1.471 -1.404) 2.131 6.375 ( 4.795 -0.530 0.534) 4.853 6.386 ( 4.738 -0.388 -0.491) 4.779 ======================= Grid point 209 (75/98) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -13.239 0.269 4.921) 14.126 1.293 ( -7.069 5.198 3.506) 9.449 1.329 ( -11.710 0.460 -3.113) 12.125 1.447 ( -5.275 3.506 -5.417) 8.334 1.546 ( -4.080 0.462 2.661) 4.893 1.600 ( -6.299 1.454 -1.212) 6.578 1.692 ( -2.862 -5.981 0.650) 6.662 1.695 ( -5.814 -3.971 2.180) 7.371 1.790 ( -3.102 -4.278 1.175) 5.413 1.829 ( -2.537 -4.027 -1.003) 4.864 1.898 ( -3.482 -5.187 1.249) 6.371 1.963 ( -3.898 -1.229 -4.577) 6.137 2.138 ( -1.999 -2.213 6.543) 7.190 2.201 ( -2.399 -0.311 0.975) 2.608 2.247 ( -2.319 0.014 1.069) 2.553 2.318 ( -1.454 -0.023 3.259) 3.569 2.337 ( -1.687 1.943 -4.738) 5.391 2.416 ( -7.384 -0.273 -3.989) 8.397 2.454 ( -2.422 1.999 2.960) 4.315 2.539 ( -3.266 1.829 -4.381) 5.762 2.596 ( -6.037 1.183 -1.023) 6.236 2.684 ( -1.596 1.335 -6.195) 6.535 2.704 ( -9.034 1.605 1.584) 9.311 2.757 ( -5.441 -2.961 -3.120) 6.936 2.805 ( -9.211 2.648 1.331) 9.677 2.831 ( -8.362 3.396 -0.827) 9.063 2.864 ( -8.819 4.145 1.605) 9.875 2.902 ( -3.943 3.657 -0.689) 5.422 3.059 ( -1.690 2.733 1.575) 3.579 3.119 ( 1.524 2.046 -3.192) 4.086 3.177 ( -1.220 -1.071 7.172) 7.353 3.256 ( 1.160 -2.014 1.027) 2.541 3.290 ( -1.172 -1.679 0.881) 2.229 3.309 ( -2.002 -2.333 -1.730) 3.527 3.385 ( 0.630 0.364 1.462) 1.633 3.411 ( 2.978 0.191 -1.032) 3.158 4.276 ( -4.644 2.283 0.800) 5.237 4.288 ( -5.072 2.211 -0.288) 5.541 4.335 ( -3.771 1.550 1.410) 4.314 4.375 ( -1.933 0.101 -2.427) 3.104 4.507 ( -0.547 -1.697 2.178) 2.815 4.557 ( 0.338 -2.412 -2.667) 3.612 4.582 ( -4.178 -1.268 1.637) 4.662 4.612 ( -2.883 -1.180 -0.959) 3.259 4.720 ( -0.491 2.509 1.772) 3.111 4.757 ( 0.948 2.742 -1.502) 3.267 5.066 ( 0.863 -0.705 0.543) 1.239 5.093 ( 1.303 -1.103 -1.960) 2.599 5.203 ( 1.115 -1.984 1.234) 2.589 5.222 ( 0.326 -2.307 -0.053) 2.331 5.260 ( 0.550 0.003 2.058) 2.130 5.295 ( -0.439 -1.093 -0.906) 1.486 5.324 ( 0.490 -1.586 -0.163) 1.668 5.337 ( 1.986 -0.901 -0.810) 2.326 5.378 ( 1.984 0.270 1.712) 2.634 5.401 ( 1.204 0.261 -0.390) 1.292 5.487 ( 0.317 -0.200 0.306) 0.483 5.511 ( 0.749 0.323 -1.915) 2.082 5.695 ( -1.040 -1.038 2.428) 2.838 5.751 ( -0.268 -0.060 -2.807) 2.820 5.962 ( -2.968 -0.494 2.235) 3.748 6.015 ( -2.986 -0.031 -2.889) 4.155 6.169 ( -0.416 -1.376 4.061) 4.308 6.240 ( 1.076 -2.156 -2.704) 3.622 6.447 ( 2.425 -0.774 0.426) 2.581 6.455 ( 2.249 -0.589 -0.316) 2.346 ======================= Grid point 210 (76/98) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -12.111 5.590 6.684) 14.920 1.086 ( -10.906 7.516 8.254) 15.607 1.110 ( -8.763 5.263 -7.910) 12.925 1.284 ( -9.035 5.632 -7.874) 13.242 1.473 ( -3.842 -0.803 3.494) 5.255 1.509 ( -4.143 1.134 0.148) 4.298 1.584 ( -6.699 -2.096 5.522) 8.931 1.653 ( -4.868 -2.607 -1.078) 5.626 1.719 ( -6.126 2.259 1.812) 6.776 1.767 ( -4.273 -0.016 -0.834) 4.354 1.860 ( -5.449 -4.917 -1.571) 7.506 1.872 ( -6.115 -1.293 -3.264) 7.051 2.029 ( -8.911 2.242 3.425) 9.806 2.070 ( -8.587 0.965 2.499) 8.996 2.162 ( -6.878 -1.811 0.695) 7.146 2.185 ( -5.002 2.265 -2.005) 5.845 2.325 ( -1.339 1.312 -2.747) 3.326 2.332 ( -3.479 3.304 -3.988) 6.238 2.390 ( -1.478 1.650 1.153) 2.497 2.430 ( -4.742 3.496 -1.449) 6.067 2.490 ( -4.663 2.196 0.403) 5.170 2.523 ( -6.590 3.648 -2.168) 7.838 2.589 ( -2.864 -2.051 5.566) 6.586 2.671 ( -6.183 2.032 1.182) 6.615 2.705 ( -3.158 0.387 -1.541) 3.535 2.727 ( -2.210 -1.350 -5.424) 6.010 2.746 ( -2.424 -0.481 1.526) 2.904 2.841 ( -2.416 0.451 -5.499) 6.023 2.985 ( -3.327 3.568 4.893) 6.909 3.104 ( -1.361 3.042 -5.753) 6.648 3.169 ( -0.092 -0.523 6.802) 6.823 3.263 ( -1.301 -2.155 -2.138) 3.302 3.274 ( -0.985 -2.705 2.466) 3.790 3.293 ( -1.307 -3.094 1.188) 3.563 3.437 ( 3.349 -1.712 2.127) 4.321 3.486 ( 3.821 -1.078 -2.290) 4.583 4.165 ( -5.249 2.260 0.526) 5.739 4.174 ( -5.236 2.182 -0.337) 5.682 4.240 ( -6.069 0.786 2.817) 6.737 4.314 ( -5.584 -1.443 -4.281) 7.183 4.493 ( -2.681 -2.789 1.857) 4.291 4.518 ( -2.488 -1.894 1.165) 3.337 4.572 ( -0.288 -2.367 0.146) 2.389 4.624 ( 3.206 -1.656 -4.156) 5.504 4.696 ( -0.383 2.584 2.987) 3.968 4.756 ( 0.662 2.561 -2.324) 3.521 5.084 ( 0.914 0.056 0.812) 1.224 5.112 ( 0.496 -0.212 -1.714) 1.797 5.221 ( -0.230 -2.203 1.528) 2.691 5.234 ( 0.586 -1.315 0.789) 1.642 5.292 ( 1.657 1.150 3.524) 4.061 5.304 ( 1.581 0.339 0.713) 1.767 5.333 ( 0.583 -1.158 -1.301) 1.836 5.396 ( 3.839 0.140 -2.435) 4.548 5.442 ( 4.094 1.646 1.882) 4.797 5.460 ( 4.656 1.504 -0.195) 4.897 5.515 ( 2.450 0.504 0.162) 2.506 5.547 ( 2.804 0.188 -2.615) 3.839 5.671 ( -2.157 -0.994 2.588) 3.513 5.728 ( -2.234 0.265 -2.725) 3.534 5.895 ( -4.098 -0.469 1.631) 4.435 5.948 ( -3.870 0.060 -3.485) 5.208 6.183 ( 0.986 -2.175 6.215) 6.658 6.281 ( 1.888 -2.946 -3.430) 4.900 6.478 ( 0.370 -1.177 0.253) 1.259 6.481 ( 0.150 -0.813 0.032) 0.828 ======================= Grid point 211 (77/98) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -6.903 11.215 9.703) 16.358 0.830 ( -10.800 10.631 11.115) 18.794 0.934 ( -5.642 7.182 -12.124) 15.179 1.053 ( -10.885 6.734 -9.904) 16.184 1.296 ( -12.159 14.604 11.349) 22.134 1.413 ( -2.023 3.614 3.257) 5.269 1.509 ( -1.715 1.451 2.981) 3.733 1.547 ( -4.041 2.269 6.848) 8.269 1.591 ( -3.006 3.118 -4.335) 6.127 1.679 ( -5.442 1.468 -5.193) 7.664 1.759 ( -3.982 -0.590 -2.387) 4.680 1.776 ( -4.080 -0.598 -2.602) 4.876 1.871 ( -7.637 -1.186 2.300) 8.063 1.911 ( -8.450 -2.214 -1.803) 8.919 2.088 ( -0.940 3.080 -2.284) 3.948 2.118 ( 0.338 -2.770 -3.836) 4.744 2.245 ( -2.532 2.680 0.648) 3.743 2.274 ( -3.844 0.625 -1.285) 4.101 2.366 ( 0.250 3.184 0.089) 3.195 2.390 ( 0.351 1.261 -1.087) 1.702 2.419 ( -2.166 -0.043 0.360) 2.196 2.428 ( -2.782 -0.439 -0.348) 2.838 2.542 ( -1.836 1.495 6.752) 7.155 2.606 ( -1.901 -1.179 1.457) 2.669 2.645 ( -3.421 -0.575 -1.042) 3.622 2.679 ( -1.716 -0.328 0.858) 1.946 2.731 ( -0.313 0.764 -2.579) 2.708 2.779 ( -3.130 1.185 -8.047) 8.715 2.935 ( -0.533 0.546 5.920) 5.969 3.071 ( -0.213 1.418 -6.275) 6.437 3.174 ( 0.516 0.311 6.325) 6.353 3.256 ( -0.334 -2.277 -0.472) 2.350 3.273 ( -0.962 -3.776 1.810) 4.296 3.297 ( 0.683 -0.034 -0.567) 0.888 3.504 ( 2.250 -2.372 2.348) 4.025 3.555 ( 2.387 -1.900 -2.179) 3.750 4.067 ( -3.681 1.450 0.479) 3.985 4.076 ( -3.998 1.366 -0.373) 4.241 4.105 ( -6.579 0.931 1.901) 6.911 4.167 ( -10.471 -1.823 -4.411) 11.508 4.461 ( -1.741 -2.975 2.389) 4.194 4.499 ( -0.991 -2.775 -0.250) 2.958 4.591 ( 0.384 -2.437 2.456) 3.481 4.675 ( 0.549 2.082 1.239) 2.484 4.689 ( 1.230 0.517 -3.558) 3.800 4.769 ( 1.857 0.825 -4.706) 5.126 5.102 ( 1.210 1.162 0.495) 1.749 5.122 ( 0.674 0.545 -1.192) 1.474 5.231 ( 0.048 -2.104 1.438) 2.549 5.250 ( 0.403 -1.012 0.313) 1.134 5.310 ( 0.901 0.972 0.899) 1.602 5.352 ( 0.834 -0.136 -2.851) 2.973 5.360 ( 4.803 0.301 8.380) 9.664 5.467 ( 3.702 1.270 -2.035) 4.411 5.502 ( 3.344 3.492 2.781) 5.578 5.534 ( 3.536 1.219 0.144) 3.743 5.572 ( 3.738 1.233 -0.470) 3.964 5.597 ( 2.296 0.633 -2.479) 3.438 5.625 ( -2.937 -0.786 1.492) 3.386 5.667 ( -3.553 0.331 -1.856) 4.022 5.819 ( -4.337 -1.186 0.098) 4.497 5.868 ( -4.138 0.845 -3.927) 5.767 6.233 ( 2.581 -3.766 8.393) 9.555 6.343 ( 2.475 -3.950 -3.089) 5.592 6.473 ( -1.336 -0.838 0.308) 1.607 6.474 ( -1.509 -1.371 0.136) 2.043 ======================= Grid point 212 (78/98) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 13.165 13.402) 18.787 0.590 ( 0.000 14.250 11.492) 18.306 0.833 ( 0.000 8.352 -11.385) 14.120 0.884 ( 0.000 7.976 -15.058) 17.040 1.050 ( 0.000 23.026 21.881) 31.764 1.383 ( 0.000 4.271 -1.865) 4.660 1.458 ( 0.000 3.188 7.201) 7.875 1.512 ( -0.000 -0.696 0.653) 0.954 1.566 ( 0.000 0.398 -2.756) 2.784 1.601 ( 0.000 1.548 -6.669) 6.846 1.698 ( 0.000 3.636 -3.027) 4.731 1.751 ( 0.000 0.772 -3.693) 3.773 1.795 ( -0.000 -0.970 2.788) 2.952 1.833 ( -0.000 -2.616 -1.080) 2.830 2.084 ( -0.000 -1.044 0.551) 1.181 2.166 ( -0.000 -4.785 -5.433) 7.239 2.198 ( 0.000 1.639 0.944) 1.892 2.220 ( 0.000 0.522 -1.084) 1.203 2.357 ( 0.000 3.878 1.575) 4.185 2.390 ( -0.000 -0.971 0.797) 1.256 2.399 ( 0.000 2.471 -1.966) 3.158 2.409 ( -0.000 -1.206 -0.978) 1.553 2.519 ( 0.000 0.963 7.657) 7.717 2.585 ( -0.000 -0.508 1.190) 1.294 2.608 ( -0.000 -1.105 -0.935) 1.447 2.664 ( 0.000 1.203 2.133) 2.448 2.725 ( 0.000 0.778 -1.659) 1.832 2.744 ( 0.000 0.171 -8.635) 8.637 2.936 ( -0.000 -0.616 5.575) 5.609 3.072 ( 0.000 0.563 -6.708) 6.732 3.178 ( 0.000 0.663 6.207) 6.243 3.265 ( 0.000 0.092 -0.429) 0.439 3.283 ( -0.000 -3.469 1.066) 3.629 3.315 ( -0.000 -0.703 -2.222) 2.330 3.541 ( -0.000 -2.283 2.691) 3.529 3.591 ( -0.000 -2.202 -1.819) 2.856 4.008 ( 0.000 1.226 -0.033) 1.226 4.009 ( 0.000 1.254 -0.166) 1.265 4.030 ( 0.000 1.160 0.776) 1.396 4.044 ( 0.000 1.105 -0.575) 1.246 4.463 ( -0.000 -3.523 2.730) 4.457 4.508 ( -0.000 -3.574 -0.825) 3.668 4.605 ( -0.000 -1.449 2.739) 3.099 4.667 ( 0.000 2.138 3.523) 4.121 4.697 ( 0.000 0.303 -3.879) 3.891 4.792 ( -0.000 -0.082 -8.005) 8.006 5.106 ( 0.000 2.378 0.186) 2.385 5.125 ( 0.000 1.214 -1.352) 1.817 5.243 ( -0.000 -1.664 1.351) 2.144 5.259 ( -0.000 -1.005 0.348) 1.063 5.313 ( 0.000 1.011 1.127) 1.514 5.360 ( 0.000 0.000 -2.801) 2.801 5.437 ( 0.000 0.889 5.786) 5.854 5.506 ( 0.000 3.740 -1.576) 4.058 5.530 ( -0.000 -0.492 5.836) 5.857 5.567 ( -0.000 -0.484 0.248) 0.544 5.573 ( -0.000 -0.448 -0.281) 0.529 5.622 ( 0.000 0.769 0.214) 0.798 5.622 ( -0.000 -0.140 -3.141) 3.144 5.626 ( 0.000 0.825 -0.181) 0.844 5.747 ( 0.000 1.021 0.480) 1.129 5.817 ( 0.000 0.723 -4.276) 4.337 6.308 ( -0.000 -8.392 9.710) 12.834 6.403 ( -0.000 -5.263 -1.524) 5.480 6.448 ( 0.000 0.061 0.159) 0.170 6.452 ( 0.000 0.067 -0.159) 0.173 ======================= Grid point 217 (79/98) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.525 0.000 3.003) 3.049 1.570 ( 0.606 0.000 -3.525) 3.577 1.759 ( -0.911 -0.000 1.771) 1.991 1.763 ( 0.435 0.000 2.447) 2.486 1.819 ( -3.011 -0.000 -1.108) 3.208 1.829 ( -3.581 -0.000 -2.658) 4.460 1.918 ( -4.365 -0.000 1.953) 4.782 1.942 ( -0.929 -0.000 2.802) 2.952 1.943 ( -1.748 -0.000 1.507) 2.308 1.982 ( -2.374 -0.000 -1.144) 2.635 2.029 ( 1.448 0.000 0.800) 1.654 2.035 ( 3.515 0.000 3.447) 4.923 2.210 ( -1.164 -0.000 0.366) 1.220 2.280 ( -1.000 -0.000 -0.595) 1.164 2.288 ( 2.142 0.000 -4.567) 5.044 2.313 ( -2.338 -0.000 0.582) 2.410 2.410 ( -5.412 -0.000 0.362) 5.425 2.412 ( 0.481 0.000 0.757) 0.897 2.478 ( 3.264 0.000 -0.324) 3.280 2.531 ( -2.600 -0.000 -5.901) 6.449 2.566 ( 5.574 0.000 0.995) 5.663 2.649 ( 0.204 0.000 -6.229) 6.233 2.785 ( -1.657 -0.000 1.371) 2.151 2.807 ( -3.692 -0.000 0.695) 3.757 2.810 ( -2.861 -0.000 -0.631) 2.930 2.827 ( -2.292 -0.000 -2.049) 3.074 3.012 ( 1.785 0.000 0.961) 2.027 3.019 ( 1.651 0.000 0.059) 1.652 3.266 ( 1.746 0.000 4.266) 4.610 3.291 ( -0.839 -0.000 2.071) 2.235 3.368 ( 1.818 0.000 0.601) 1.914 3.379 ( 2.046 0.000 -0.503) 2.107 3.544 ( 7.628 0.000 0.141) 7.629 3.552 ( 6.165 0.000 -0.403) 6.178 3.598 ( 2.463 0.000 0.208) 2.471 3.598 ( 3.531 0.000 0.039) 3.531 4.349 ( -0.515 -0.000 1.443) 1.533 4.380 ( -0.658 -0.000 -1.387) 1.535 4.451 ( 3.683 0.000 1.396) 3.939 4.474 ( 2.878 0.000 -0.644) 2.949 4.589 ( 2.478 0.000 0.493) 2.526 4.605 ( 1.702 0.000 -1.172) 2.067 4.635 ( -1.699 -0.000 0.061) 1.700 4.656 ( -1.482 -0.000 -1.689) 2.247 4.749 ( 1.003 0.000 0.679) 1.212 4.756 ( 0.947 0.000 -0.050) 0.949 5.026 ( -2.177 -0.000 -0.043) 2.178 5.028 ( -2.640 -0.000 -0.249) 2.651 5.256 ( -2.553 -0.000 1.506) 2.964 5.272 ( -2.441 -0.000 0.770) 2.559 5.305 ( -0.631 -0.000 -1.709) 1.822 5.311 ( 0.166 0.000 -1.446) 1.455 5.386 ( 0.394 0.000 0.531) 0.661 5.397 ( 0.270 0.000 -0.585) 0.644 5.450 ( 1.002 0.000 1.197) 1.561 5.454 ( 0.522 0.000 0.589) 0.788 5.724 ( 0.138 0.000 -0.204) 0.246 5.724 ( -0.313 -0.000 -0.192) 0.367 5.810 ( 7.790 0.000 1.458) 7.925 5.837 ( 7.452 0.000 -0.985) 7.517 6.026 ( -0.398 -0.000 0.541) 0.671 6.042 ( -1.364 -0.000 -0.794) 1.578 6.114 ( -5.055 -0.000 -0.882) 5.132 6.115 ( -7.747 -0.000 -0.676) 7.776 6.201 ( -1.708 -0.000 1.512) 2.281 6.218 ( -1.385 -0.000 -0.233) 1.404 ======================= Grid point 218 (80/98) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.744 -0.017 3.236) 3.321 1.572 ( -0.263 0.050 -3.868) 3.877 1.684 ( -7.226 2.227 1.186) 7.654 1.710 ( -5.997 -0.471 -0.964) 6.092 1.748 ( -2.654 -0.833 0.754) 2.882 1.763 ( -2.957 -1.984 0.121) 3.563 1.839 ( -2.592 -0.568 1.939) 3.287 1.881 ( -2.794 0.250 -1.651) 3.255 1.903 ( -2.546 -0.308 4.869) 5.503 1.951 ( -2.117 0.009 2.452) 3.239 2.043 ( -1.290 -0.184 4.402) 4.590 2.125 ( 3.957 -0.237 2.617) 4.750 2.192 ( -0.925 0.551 -1.221) 1.628 2.223 ( -6.644 0.320 -2.602) 7.142 2.262 ( -1.806 0.001 -0.908) 2.021 2.273 ( -3.070 -1.846 -2.167) 4.187 2.371 ( 2.122 -0.450 -4.412) 4.916 2.427 ( 0.933 0.033 1.661) 1.905 2.493 ( -0.178 2.318 -5.004) 5.517 2.520 ( 0.313 -2.664 -6.456) 6.991 2.668 ( 4.823 1.840 0.759) 5.218 2.687 ( 3.899 -0.218 -0.760) 3.979 2.756 ( -1.470 -0.115 1.644) 2.209 2.779 ( 0.110 0.317 -0.739) 0.812 2.806 ( 2.946 -1.170 1.432) 3.478 2.837 ( 3.149 0.035 -1.545) 3.508 3.028 ( -0.203 0.614 1.532) 1.663 3.049 ( 1.137 0.707 -0.546) 1.446 3.266 ( -1.573 0.021 4.302) 4.581 3.293 ( 0.970 -0.068 1.087) 1.459 3.385 ( -0.265 -0.010 1.391) 1.416 3.402 ( 0.096 0.064 -0.539) 0.551 3.572 ( -4.412 0.376 0.485) 4.455 3.583 ( -3.078 0.268 -0.454) 3.123 3.601 ( -2.250 0.194 0.295) 2.278 3.610 ( -1.277 -0.505 -0.518) 1.467 4.349 ( 0.535 -0.276 1.425) 1.547 4.375 ( 0.125 -0.267 -0.913) 0.959 4.507 ( 0.175 0.014 0.253) 0.308 4.509 ( 1.486 0.068 0.291) 1.515 4.593 ( -1.344 0.705 1.045) 1.843 4.623 ( -0.484 0.728 -0.953) 1.293 4.645 ( 2.706 0.249 -1.167) 2.957 4.650 ( 2.020 0.613 -2.077) 2.962 4.764 ( 0.119 -0.597 0.614) 0.864 4.765 ( -0.220 -0.443 0.530) 0.725 4.973 ( -2.555 -0.238 0.299) 2.583 4.983 ( -1.983 -0.202 -0.596) 2.081 5.201 ( -2.931 -0.289 1.081) 3.137 5.222 ( -2.683 -0.271 -0.742) 2.797 5.278 ( -2.066 -0.166 1.050) 2.324 5.307 ( -0.865 -0.178 -1.413) 1.666 5.376 ( -1.424 -0.146 0.146) 1.439 5.390 ( -1.066 -0.045 -1.159) 1.576 5.457 ( -0.340 0.024 1.141) 1.191 5.461 ( -0.046 0.007 0.701) 0.702 5.713 ( -0.604 0.087 0.396) 0.728 5.725 ( 0.110 -0.061 -0.641) 0.653 5.817 ( -8.397 0.055 0.618) 8.420 5.831 ( -6.985 -0.035 -0.569) 7.008 5.999 ( -1.468 -0.107 2.440) 2.850 6.060 ( -0.156 0.064 -3.230) 3.234 6.102 ( 6.762 -0.076 -0.093) 6.763 6.108 ( 7.152 -0.040 -0.715) 7.188 6.190 ( 0.367 -0.036 1.445) 1.491 6.203 ( -0.250 -0.043 -0.038) 0.257 ======================= Grid point 219 (81/98) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -1.437 0.175 3.847) 4.111 1.525 ( -7.692 -1.862 2.179) 8.208 1.568 ( -1.422 -0.708 -3.554) 3.893 1.596 ( -6.472 -1.988 -2.918) 7.373 1.677 ( -4.754 -1.794 1.505) 5.300 1.716 ( -3.102 -1.369 -1.621) 3.758 1.816 ( -3.071 -0.429 5.612) 6.411 1.845 ( -1.987 -0.074 2.196) 2.963 1.861 ( -0.932 -0.554 0.862) 1.386 1.897 ( -3.162 -1.907 2.510) 4.465 1.975 ( -5.475 0.845 0.398) 5.554 2.054 ( -7.863 -1.647 -3.197) 8.646 2.170 ( 0.304 -0.540 0.991) 1.169 2.177 ( -1.377 0.285 0.364) 1.453 2.250 ( 0.509 -0.109 3.450) 3.489 2.274 ( 1.454 -0.860 -1.210) 2.078 2.392 ( -0.871 -0.595 -7.859) 7.929 2.438 ( 1.114 2.105 -0.568) 2.448 2.495 ( 1.378 1.266 -3.818) 4.251 2.565 ( 2.841 -2.998 -5.736) 7.069 2.713 ( 1.418 3.077 2.084) 3.978 2.751 ( 0.093 -0.897 0.585) 1.075 2.773 ( 3.502 1.004 -1.811) 4.068 2.795 ( 1.046 -1.927 -1.268) 2.533 2.889 ( 4.139 -1.152 2.810) 5.134 2.926 ( 5.391 -0.314 -1.069) 5.505 3.006 ( -0.743 1.001 2.525) 2.816 3.053 ( 0.199 1.206 -1.896) 2.256 3.231 ( -2.160 0.147 6.179) 6.547 3.289 ( -2.253 0.461 -0.724) 2.411 3.353 ( -2.916 -0.309 1.391) 3.246 3.369 ( -3.991 0.218 -0.591) 4.040 3.432 ( -9.330 0.420 1.265) 9.424 3.455 ( -9.054 0.594 -0.828) 9.111 3.526 ( -4.526 0.854 0.578) 4.642 3.538 ( -5.307 1.204 -0.637) 5.479 4.365 ( 0.555 -0.212 1.090) 1.241 4.382 ( 0.045 -0.361 -0.452) 0.580 4.479 ( -2.463 -0.108 -0.042) 2.466 4.487 ( -2.856 0.048 -0.747) 2.952 4.578 ( -0.178 2.950 1.306) 3.231 4.606 ( -0.765 2.307 -0.929) 2.602 4.677 ( -0.116 -0.617 -0.838) 1.047 4.686 ( 0.385 -0.322 -1.308) 1.401 4.753 ( -0.351 0.755 0.793) 1.150 4.755 ( 0.087 0.947 0.607) 1.129 4.965 ( 1.358 -1.899 0.071) 2.335 4.975 ( 0.987 -1.618 -0.765) 2.044 5.159 ( -1.712 -1.308 0.519) 2.216 5.173 ( -2.817 -1.481 -0.852) 3.295 5.245 ( -1.275 -1.073 1.909) 2.534 5.283 ( -1.734 -0.908 -1.606) 2.532 5.335 ( -2.791 -0.290 0.643) 2.878 5.359 ( -2.054 -0.069 -1.620) 2.617 5.439 ( -1.436 0.144 1.509) 2.088 5.449 ( -1.269 -0.004 0.470) 1.354 5.642 ( -8.424 0.135 0.623) 8.448 5.661 ( -8.944 0.072 -1.046) 9.005 5.704 ( -0.480 -0.162 1.093) 1.205 5.731 ( 0.477 -0.133 -1.468) 1.550 5.992 ( -0.076 -0.480 2.968) 3.007 6.062 ( 0.110 -0.123 -3.606) 3.609 6.181 ( 0.529 0.176 0.904) 1.062 6.192 ( 0.176 -0.471 -0.198) 0.540 6.256 ( 6.776 -0.269 0.711) 6.819 6.269 ( 6.891 -0.161 -0.546) 6.915 ======================= Grid point 220 (82/98) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -9.033 -2.259 3.417) 9.919 1.433 ( -3.169 1.329 2.863) 4.473 1.485 ( -6.562 -2.561 -3.238) 7.752 1.544 ( -1.622 0.914 -4.171) 4.568 1.611 ( -3.445 -3.672 2.116) 5.462 1.671 ( -2.967 -2.903 -2.337) 4.764 1.707 ( -6.120 0.517 4.402) 7.556 1.783 ( -8.640 -1.591 0.453) 8.797 1.804 ( -3.163 -1.014 2.640) 4.243 1.839 ( -4.030 -1.875 -0.790) 4.514 1.897 ( -2.154 -0.970 4.686) 5.248 1.990 ( -0.724 -1.197 -3.865) 4.110 2.143 ( -2.080 -0.726 1.267) 2.541 2.161 ( -1.784 -3.587 0.038) 4.006 2.268 ( 1.364 1.340 3.664) 4.133 2.316 ( 2.039 -0.383 0.265) 2.092 2.365 ( -1.247 0.661 -4.639) 4.849 2.453 ( 1.150 1.419 -3.860) 4.270 2.512 ( 0.530 0.532 -2.303) 2.423 2.637 ( 2.583 -1.925 -6.697) 7.431 2.675 ( -4.666 3.236 1.436) 5.857 2.718 ( -4.771 -0.913 -0.683) 4.905 2.781 ( -2.083 -0.423 -0.768) 2.260 2.790 ( -3.262 -2.901 -0.984) 4.474 2.935 ( -0.296 0.257 4.004) 4.023 3.002 ( 1.863 0.939 -2.812) 3.501 3.046 ( 3.056 0.331 1.078) 3.258 3.064 ( 0.954 0.822 -0.502) 1.356 3.156 ( -8.699 3.053 1.072) 9.281 3.169 ( -6.985 3.349 0.149) 7.748 3.218 ( -6.886 1.237 6.029) 9.236 3.257 ( -6.343 -0.741 2.270) 6.777 3.311 ( -4.645 -0.647 -0.596) 4.728 3.321 ( -2.247 -1.389 -2.119) 3.387 3.436 ( -3.717 1.615 0.173) 4.056 3.442 ( -3.395 1.603 0.178) 3.759 4.356 ( -1.606 0.639 0.681) 1.858 4.368 ( -1.726 0.112 -0.394) 1.774 4.429 ( -2.787 0.119 -0.349) 2.812 4.433 ( -2.675 0.416 -0.552) 2.763 4.535 ( -2.227 2.701 1.364) 3.757 4.562 ( -2.283 1.397 -1.185) 2.927 4.641 ( -3.882 -1.358 0.755) 4.181 4.650 ( -3.133 -1.660 -0.020) 3.546 4.761 ( 0.646 2.402 0.302) 2.505 4.772 ( 1.987 2.278 -0.634) 3.089 5.019 ( 2.628 -1.452 -0.254) 3.013 5.029 ( 2.910 -1.807 -0.921) 3.547 5.147 ( -0.199 -2.402 0.564) 2.475 5.161 ( 0.843 -1.991 -0.581) 2.239 5.252 ( 0.973 -2.309 0.592) 2.575 5.266 ( -0.154 -1.785 -0.604) 1.891 5.286 ( -2.367 -0.461 1.628) 2.910 5.324 ( -1.314 -0.050 -1.927) 2.333 5.399 ( -2.408 0.367 1.840) 3.053 5.414 ( -2.148 -0.511 0.471) 2.258 5.524 ( -4.745 0.110 -0.248) 4.753 5.533 ( -2.681 0.338 -1.080) 2.911 5.696 ( -0.552 -0.480 1.876) 2.014 5.743 ( 0.580 -0.161 -2.538) 2.609 5.988 ( -0.946 -0.676 3.185) 3.391 6.054 ( -1.233 -0.168 -3.026) 3.272 6.174 ( -1.013 -0.168 1.477) 1.799 6.200 ( 0.381 -1.092 -0.969) 1.508 6.370 ( 4.768 -0.340 0.579) 4.815 6.383 ( 4.688 -0.254 -0.560) 4.728 ======================= Grid point 221 (83/98) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -9.343 2.897 3.738) 10.472 1.318 ( -8.312 0.644 -7.184) 11.005 1.369 ( -5.142 5.572 6.978) 10.304 1.480 ( -4.248 2.651 -3.236) 5.962 1.554 ( -4.386 0.544 2.154) 4.916 1.601 ( -4.981 -2.280 0.882) 5.549 1.631 ( -5.355 -3.758 1.486) 6.709 1.653 ( -3.900 -3.660 -3.802) 6.562 1.761 ( -2.477 -1.546 1.526) 3.294 1.786 ( -1.763 -4.253 0.918) 4.695 1.850 ( -4.132 -2.713 4.790) 6.884 1.953 ( -4.511 -0.537 -4.995) 6.752 2.108 ( -2.729 -2.903 3.402) 5.239 2.164 ( -0.807 -5.362 -0.455) 5.442 2.267 ( -1.500 2.675 2.565) 3.999 2.322 ( -1.353 0.906 2.719) 3.169 2.358 ( -0.241 1.609 -3.163) 3.557 2.414 ( -7.727 0.090 -5.300) 9.370 2.476 ( -3.156 1.966 3.098) 4.840 2.555 ( -3.499 1.026 -5.233) 6.378 2.585 ( -6.073 -2.513 0.202) 6.575 2.688 ( 0.394 -0.072 -4.490) 4.508 2.718 ( -4.328 -1.155 -2.377) 5.072 2.727 ( -5.478 -0.628 -0.773) 5.568 2.840 ( -8.942 3.045 1.604) 9.581 2.878 ( -10.479 4.303 -1.784) 11.468 2.920 ( -9.096 6.213 1.894) 11.177 2.950 ( -5.964 5.212 -0.017) 7.920 3.084 ( -0.593 1.929 1.913) 2.781 3.134 ( 1.806 0.743 -1.424) 2.416 3.163 ( -1.863 -1.589 5.329) 5.865 3.232 ( 0.302 -2.399 0.452) 2.459 3.266 ( -1.420 -2.696 1.720) 3.499 3.288 ( -2.688 -1.264 -1.941) 3.549 3.389 ( -0.778 0.339 1.141) 1.422 3.411 ( 1.929 -0.059 -1.097) 2.220 4.297 ( -4.110 1.435 0.775) 4.421 4.308 ( -4.467 1.283 -0.211) 4.653 4.356 ( -4.190 1.985 0.809) 4.706 4.380 ( -2.570 0.960 -1.646) 3.199 4.490 ( -1.883 -1.273 1.486) 2.715 4.530 ( -1.201 -2.442 -2.384) 3.618 4.569 ( -3.801 -1.130 1.832) 4.368 4.597 ( -2.954 -1.557 -0.554) 3.385 4.745 ( -0.702 2.100 1.883) 2.907 4.786 ( 0.837 2.348 -1.642) 2.985 5.060 ( 1.244 -0.343 0.084) 1.293 5.082 ( 1.755 -0.982 -1.895) 2.763 5.183 ( 1.935 -1.627 1.317) 2.851 5.200 ( 0.628 -1.668 0.135) 1.787 5.259 ( 1.225 -0.217 1.066) 1.638 5.283 ( 0.585 -1.132 -0.867) 1.541 5.307 ( 1.554 -1.258 0.688) 2.114 5.329 ( 2.119 -0.621 -0.835) 2.361 5.380 ( 1.791 0.200 1.745) 2.508 5.403 ( 1.903 0.065 -0.258) 1.922 5.485 ( 0.318 -0.171 0.517) 0.630 5.515 ( 0.613 0.396 -2.273) 2.387 5.685 ( -1.050 -0.766 2.602) 2.908 5.749 ( -0.235 -0.185 -3.582) 3.595 5.956 ( -2.772 -0.478 2.923) 4.057 6.014 ( -2.968 -0.131 -2.637) 3.972 6.157 ( -0.801 -0.938 3.369) 3.588 6.218 ( 0.750 -1.771 -2.422) 3.093 6.440 ( 2.329 -0.532 0.472) 2.435 6.450 ( 2.181 -0.421 -0.419) 2.260 ======================= Grid point 222 (84/98) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -7.906 8.866 4.176) 12.592 1.137 ( -8.707 4.304 -6.278) 11.565 1.212 ( -6.590 10.837 6.090) 14.070 1.342 ( -8.581 4.748 -4.860) 10.945 1.465 ( -3.991 -0.455 4.541) 6.063 1.520 ( -3.444 0.653 -0.760) 3.586 1.560 ( -4.148 -2.183 3.352) 5.762 1.621 ( -2.012 -3.053 -2.878) 4.653 1.730 ( -1.975 -0.222 2.162) 2.937 1.759 ( -3.438 -0.998 1.552) 3.902 1.803 ( -3.913 -5.188 -0.838) 6.552 1.855 ( -4.567 -1.677 -4.500) 6.628 2.038 ( -7.659 -1.556 3.451) 8.543 2.083 ( -12.963 0.920 1.146) 13.046 2.154 ( -6.230 0.890 2.345) 6.716 2.202 ( -3.134 0.622 -0.599) 3.250 2.327 ( -0.575 0.488 -0.514) 0.913 2.366 ( -1.545 2.220 -4.769) 5.483 2.405 ( -1.754 1.085 0.965) 2.278 2.474 ( -4.646 3.735 -4.847) 7.683 2.529 ( -5.937 4.697 1.907) 7.807 2.564 ( -2.836 -1.701 4.777) 5.810 2.574 ( -8.220 5.158 -2.630) 10.055 2.675 ( -5.296 -0.300 -2.109) 5.708 2.710 ( -2.560 0.187 -2.489) 3.575 2.733 ( -3.623 2.229 -1.432) 4.489 2.751 ( -3.859 1.523 1.623) 4.455 2.847 ( -3.387 0.771 -4.173) 5.429 3.021 ( -3.945 2.941 4.681) 6.792 3.123 ( -2.399 0.348 -4.334) 4.966 3.160 ( 0.159 -0.919 4.593) 4.686 3.211 ( -3.614 -6.315 -0.539) 7.295 3.254 ( -1.300 -1.373 2.132) 2.850 3.276 ( 0.901 -0.814 0.773) 1.439 3.418 ( 2.513 -1.884 2.209) 3.839 3.475 ( 3.465 -0.840 -2.995) 4.656 4.189 ( -5.531 2.165 0.561) 5.966 4.198 ( -5.480 2.180 -0.253) 5.903 4.250 ( -6.307 1.070 2.059) 6.721 4.300 ( -6.415 -1.079 -2.687) 7.039 4.464 ( -2.484 -2.526 1.828) 3.986 4.498 ( -2.497 -1.851 0.421) 3.136 4.545 ( -0.709 -2.610 0.844) 2.833 4.605 ( 3.279 -1.732 -4.046) 5.488 4.722 ( -0.421 2.147 3.129) 3.818 4.783 ( 0.371 2.311 -2.356) 3.321 5.083 ( 1.197 -0.115 0.584) 1.337 5.110 ( 0.935 -0.122 -1.767) 2.003 5.197 ( -0.496 -2.171 1.669) 2.783 5.219 ( 0.753 -1.342 0.380) 1.585 5.302 ( 1.362 0.521 -0.311) 1.491 5.313 ( 2.953 1.381 2.998) 4.429 5.322 ( 0.957 -0.826 -0.144) 1.273 5.398 ( 4.403 0.221 -1.673) 4.715 5.456 ( 5.031 0.994 2.122) 5.550 5.475 ( 5.072 1.365 -0.243) 5.258 5.521 ( 3.114 0.526 -0.199) 3.164 5.549 ( 2.927 0.154 -2.664) 3.961 5.661 ( -1.966 -0.734 2.672) 3.398 5.728 ( -2.201 -0.143 -3.878) 4.461 5.890 ( -4.211 -0.323 2.500) 4.908 5.949 ( -3.652 0.088 -3.117) 4.802 6.162 ( 0.731 -1.659 5.384) 5.681 6.250 ( 1.411 -2.673 -3.124) 4.347 6.468 ( 0.324 -0.771 0.327) 0.898 6.473 ( 0.154 -0.564 -0.188) 0.614 ======================= Grid point 223 (85/98) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -3.834 13.480 6.082) 15.277 0.942 ( -8.348 9.596 4.539) 13.505 1.029 ( -5.177 10.201 -6.602) 13.207 1.125 ( -9.753 6.433 -7.119) 13.681 1.399 ( -2.705 4.049 7.924) 9.301 1.459 ( -0.570 5.030 4.361) 6.681 1.518 ( -0.988 0.457 1.853) 2.149 1.588 ( -1.842 3.288 -1.598) 4.094 1.653 ( -4.539 8.306 2.528) 9.797 1.698 ( -4.347 0.475 -3.094) 5.357 1.745 ( -4.855 -0.170 -0.091) 4.859 1.750 ( -3.050 -2.973 -1.015) 4.379 1.862 ( -7.908 -0.484 1.064) 7.994 1.883 ( -8.229 -3.041 -0.399) 8.782 2.091 ( -0.309 -1.274 -1.068) 1.691 2.147 ( -1.078 5.294 -4.759) 7.200 2.270 ( -4.166 1.154 -0.082) 4.324 2.286 ( -4.266 3.025 -2.609) 5.844 2.391 ( -1.447 1.393 0.581) 2.091 2.407 ( 1.227 1.738 0.238) 2.141 2.421 ( -2.975 0.544 -0.255) 3.035 2.439 ( -2.722 2.613 -1.206) 3.961 2.552 ( -0.718 0.196 5.009) 5.064 2.601 ( -2.284 0.109 0.372) 2.316 2.637 ( -4.183 -0.198 1.377) 4.408 2.676 ( -0.709 -0.395 1.242) 1.484 2.740 ( -0.110 0.615 -4.240) 4.286 2.787 ( -2.983 0.292 -8.157) 8.690 2.944 ( -2.050 1.062 6.448) 6.849 3.075 ( -1.820 -0.621 -5.372) 5.706 3.172 ( 0.346 -1.752 3.739) 4.144 3.195 ( -1.680 -6.729 0.946) 7.000 3.251 ( 0.196 -1.108 3.383) 3.565 3.300 ( 1.299 0.310 -1.186) 1.786 3.476 ( 1.894 -2.835 2.276) 4.099 3.536 ( 2.129 -1.407 -3.120) 4.031 4.084 ( -4.027 1.672 0.452) 4.384 4.092 ( -4.414 1.578 -0.304) 4.697 4.115 ( -6.199 0.968 1.343) 6.416 4.152 ( -8.928 -0.952 -2.226) 9.251 4.432 ( -1.777 -2.364 2.375) 3.793 4.473 ( -1.186 -1.953 -0.511) 2.341 4.562 ( 0.507 -2.708 3.392) 4.370 4.682 ( 2.784 -0.507 -7.330) 7.858 4.707 ( 0.064 2.224 3.192) 3.891 4.782 ( 0.813 1.530 -3.305) 3.731 5.107 ( 1.140 -0.083 0.362) 1.199 5.125 ( 0.782 0.143 -0.912) 1.210 5.206 ( 0.036 -2.411 1.593) 2.890 5.238 ( 0.497 -1.305 -0.395) 1.451 5.323 ( 1.102 1.195 0.178) 1.635 5.349 ( 1.334 -0.241 -0.128) 1.362 5.367 ( 3.872 0.868 6.184) 7.348 5.479 ( 4.199 0.940 -1.952) 4.725 5.538 ( 3.784 2.848 2.250) 5.243 5.548 ( 3.431 1.391 1.111) 3.865 5.586 ( 3.502 1.286 -0.694) 3.795 5.602 ( 1.860 0.274 -1.315) 2.295 5.620 ( -1.960 -0.136 0.150) 1.970 5.670 ( -3.495 0.283 -3.388) 4.876 5.808 ( -4.439 -0.694 1.815) 4.845 5.879 ( -3.281 1.070 -4.219) 5.451 6.199 ( 1.690 -2.502 7.122) 7.735 6.299 ( 1.755 -3.837 -2.957) 5.152 6.464 ( -1.011 -0.653 0.204) 1.221 6.466 ( -0.991 -0.422 -0.019) 1.077 ======================= Grid point 224 (86/98) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 14.592 9.444) 17.381 0.745 ( 0.000 13.987 8.239) 16.233 0.930 ( 0.000 9.173 -8.940) 12.809 0.972 ( 0.000 8.323 -12.886) 15.340 1.299 ( 0.000 20.638 14.328) 25.124 1.437 ( 0.000 6.280 7.046) 9.438 1.498 ( 0.000 4.123 6.053) 7.324 1.510 ( 0.000 0.383 0.502) 0.631 1.590 ( 0.000 4.173 -4.930) 6.459 1.621 ( 0.000 2.055 -5.748) 6.105 1.712 ( -0.000 -0.998 -2.770) 2.944 1.750 ( -0.000 -1.513 -1.989) 2.499 1.785 ( -0.000 -0.912 1.744) 1.968 1.803 ( -0.000 -2.721 -0.298) 2.737 2.109 ( 0.000 3.176 -4.272) 5.323 2.123 ( -0.000 -0.362 -4.877) 4.891 2.212 ( 0.000 0.754 0.436) 0.871 2.223 ( -0.000 -0.092 -0.564) 0.571 2.378 ( -0.000 -1.135 0.766) 1.370 2.395 ( -0.000 -1.169 -0.831) 1.434 2.397 ( 0.000 3.567 1.035) 3.714 2.425 ( 0.000 2.465 -0.541) 2.523 2.536 ( 0.000 2.295 7.369) 7.718 2.579 ( -0.000 -0.491 0.793) 0.932 2.595 ( -0.000 -1.163 -0.671) 1.343 2.673 ( 0.000 0.114 1.944) 1.947 2.732 ( 0.000 0.533 -1.973) 2.044 2.751 ( 0.000 0.925 -10.345) 10.386 2.929 ( -0.000 -0.563 6.518) 6.542 3.067 ( -0.000 -1.254 -5.750) 5.885 3.184 ( -0.000 -0.027 5.108) 5.108 3.219 ( -0.000 -7.294 0.665) 7.324 3.263 ( -0.000 -0.993 2.847) 3.015 3.314 ( 0.000 0.226 -3.198) 3.206 3.512 ( -0.000 -3.008 2.391) 3.843 3.567 ( -0.000 -2.054 -2.530) 3.258 4.022 ( 0.000 1.445 -0.012) 1.445 4.024 ( 0.000 1.498 -0.183) 1.509 4.044 ( 0.000 1.432 0.742) 1.613 4.058 ( 0.000 1.361 -0.545) 1.466 4.429 ( -0.000 -2.734 2.699) 3.842 4.474 ( -0.000 -2.547 -0.783) 2.665 4.582 ( -0.000 -2.501 3.689) 4.457 4.692 ( 0.000 2.376 2.932) 3.774 4.706 ( 0.000 1.002 -6.164) 6.245 4.791 ( 0.000 0.117 -6.094) 6.095 5.120 ( 0.000 0.218 -0.213) 0.305 5.133 ( 0.000 0.352 -0.834) 0.905 5.220 ( -0.000 -2.325 1.753) 2.912 5.250 ( -0.000 -0.980 -0.158) 0.993 5.327 ( 0.000 1.338 0.376) 1.390 5.360 ( 0.000 0.088 -2.457) 2.459 5.435 ( -0.000 -0.820 9.693) 9.728 5.528 ( 0.000 1.483 1.486) 2.099 5.562 ( -0.000 -0.464 0.270) 0.537 5.564 ( 0.000 4.865 0.525) 4.893 5.568 ( -0.000 -0.411 -0.304) 0.511 5.624 ( 0.000 0.410 -3.800) 3.822 5.630 ( 0.000 0.797 0.242) 0.833 5.635 ( 0.000 0.854 -0.209) 0.879 5.751 ( -0.000 -0.087 0.459) 0.467 5.831 ( 0.000 1.903 -4.979) 5.330 6.240 ( -0.000 -4.511 8.751) 9.845 6.346 ( -0.000 -5.068 -2.373) 5.596 6.449 ( 0.000 0.073 0.162) 0.178 6.453 ( 0.000 0.081 -0.163) 0.181 ======================= Grid point 231 (87/98) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -1.238 -0.000 3.904) 4.096 1.515 ( -9.179 -0.000 3.126) 9.696 1.564 ( -0.771 -0.000 -4.227) 4.297 1.586 ( -6.746 -0.000 -3.183) 7.459 1.667 ( -4.649 -0.000 1.421) 4.861 1.708 ( -3.233 -0.000 -1.826) 3.714 1.812 ( -1.846 -0.000 4.505) 4.869 1.845 ( -2.027 -0.000 1.271) 2.392 1.863 ( -1.469 -0.000 3.402) 3.705 1.881 ( -4.303 -0.000 3.656) 5.647 1.984 ( -4.022 -0.000 -0.903) 4.122 2.041 ( -9.082 -0.000 -2.841) 9.516 2.168 ( -0.041 -0.000 0.668) 0.669 2.178 ( -1.437 -0.000 -0.027) 1.437 2.249 ( 0.948 0.000 3.970) 4.081 2.269 ( 1.554 0.000 -1.249) 1.994 2.389 ( -0.691 -0.000 -8.074) 8.103 2.450 ( 1.311 0.000 1.051) 1.680 2.508 ( 0.446 0.000 -9.322) 9.333 2.543 ( 3.635 0.000 -1.642) 3.988 2.735 ( 1.100 0.000 2.794) 3.002 2.746 ( 0.263 0.000 0.275) 0.381 2.768 ( 3.475 0.000 -2.025) 4.022 2.790 ( 0.605 0.000 -1.886) 1.981 2.882 ( 4.447 0.000 3.206) 5.482 2.924 ( 5.390 0.000 -1.258) 5.535 3.011 ( -0.923 -0.000 2.609) 2.768 3.059 ( 0.012 0.000 -1.947) 1.947 3.232 ( -2.076 -0.000 6.296) 6.629 3.292 ( -1.985 -0.000 -0.620) 2.080 3.351 ( -2.946 -0.000 1.345) 3.238 3.370 ( -4.019 -0.000 -0.981) 4.137 3.435 ( -9.158 -0.000 1.376) 9.261 3.458 ( -9.273 -0.000 -0.791) 9.307 3.530 ( -4.252 -0.000 0.697) 4.309 3.545 ( -4.944 -0.000 -0.691) 4.992 4.363 ( 0.712 0.000 1.084) 1.297 4.380 ( 0.139 0.000 -0.391) 0.415 4.478 ( -2.502 -0.000 0.007) 2.502 4.487 ( -2.942 -0.000 -0.820) 3.054 4.597 ( 0.248 0.000 1.231) 1.256 4.620 ( -0.606 -0.000 -0.521) 0.799 4.673 ( -1.029 -0.000 -0.980) 1.421 4.683 ( -0.247 -0.000 -1.577) 1.597 4.758 ( 0.492 0.000 0.906) 1.031 4.762 ( 0.908 0.000 0.556) 1.065 4.953 ( 1.200 0.000 0.133) 1.207 4.965 ( 0.672 0.000 -0.898) 1.122 5.152 ( -1.788 -0.000 0.495) 1.855 5.165 ( -3.035 -0.000 -0.796) 3.138 5.239 ( -1.562 -0.000 2.022) 2.555 5.278 ( -1.883 -0.000 -1.591) 2.465 5.333 ( -2.796 -0.000 0.611) 2.862 5.358 ( -2.035 -0.000 -1.739) 2.677 5.440 ( -1.407 -0.000 1.468) 2.034 5.449 ( -1.344 -0.000 0.530) 1.445 5.642 ( -8.418 -0.000 0.609) 8.440 5.661 ( -8.945 -0.000 -1.026) 9.004 5.703 ( -0.525 -0.000 1.093) 1.212 5.731 ( 0.492 0.000 -1.485) 1.564 5.989 ( -0.115 -0.000 3.068) 3.070 6.061 ( 0.088 0.000 -3.692) 3.693 6.183 ( 0.640 0.000 0.758) 0.992 6.189 ( -0.125 -0.000 -0.026) 0.127 6.254 ( 6.814 0.000 0.732) 6.854 6.268 ( 6.911 0.000 -0.581) 6.935 ======================= Grid point 233 (88/98) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -7.050 -0.718 3.278) 7.808 1.446 ( -4.076 1.136 -0.072) 4.232 1.462 ( -3.912 -1.705 -0.058) 4.268 1.551 ( -0.838 0.251 -3.462) 3.570 1.582 ( -4.424 -1.297 1.040) 4.726 1.645 ( -3.610 -1.462 -3.953) 5.549 1.728 ( -6.183 2.575 5.618) 8.742 1.759 ( -6.279 -2.287 3.798) 7.687 1.788 ( -6.126 -1.403 3.406) 7.148 1.826 ( -3.939 -0.710 -0.337) 4.016 1.910 ( -2.136 2.162 1.050) 3.215 1.971 ( 0.290 -1.824 -3.195) 3.690 2.131 ( -3.551 -1.245 0.367) 3.781 2.140 ( -2.606 -0.413 -0.232) 2.649 2.281 ( 1.888 0.784 4.287) 4.749 2.311 ( 2.433 -0.351 -0.375) 2.487 2.368 ( -1.033 0.037 -4.814) 4.924 2.468 ( 0.641 0.911 -3.391) 3.570 2.517 ( 0.512 0.322 -3.873) 3.920 2.618 ( 2.918 -1.190 -3.921) 5.030 2.706 ( -5.719 0.907 -1.262) 5.926 2.716 ( -4.384 2.000 0.880) 4.898 2.751 ( -3.868 -3.386 -0.093) 5.142 2.784 ( -1.762 0.100 -1.902) 2.594 2.937 ( 0.197 0.066 4.342) 4.347 3.009 ( 2.596 0.318 -2.993) 3.975 3.049 ( 3.421 0.112 1.111) 3.599 3.069 ( 1.246 0.203 -0.754) 1.471 3.181 ( -4.267 1.380 4.606) 6.429 3.195 ( -5.731 1.470 1.397) 6.079 3.223 ( -8.402 -0.496 1.556) 8.559 3.260 ( -9.309 1.293 1.335) 9.492 3.299 ( -5.749 -1.328 0.117) 5.902 3.310 ( -1.745 -0.510 -1.861) 2.601 3.448 ( -4.375 0.612 0.082) 4.419 3.454 ( -3.664 0.574 0.180) 3.713 4.361 ( -1.233 0.294 0.579) 1.393 4.369 ( -1.540 0.008 -0.101) 1.543 4.429 ( -2.851 -0.076 -0.342) 2.872 4.433 ( -2.031 -0.148 -0.724) 2.161 4.563 ( -3.265 1.940 0.447) 3.824 4.578 ( -3.558 1.050 -0.788) 3.792 4.628 ( -3.315 -0.854 0.855) 3.529 4.632 ( -3.572 -1.333 0.538) 3.850 4.781 ( 0.423 1.106 0.221) 1.204 4.791 ( 1.948 1.022 -0.624) 2.286 5.008 ( 3.328 -0.516 -0.651) 3.430 5.012 ( 3.422 -1.203 -0.923) 3.743 5.130 ( -0.064 -0.779 1.008) 1.276 5.147 ( 1.316 -0.551 -0.634) 1.562 5.233 ( 0.892 -0.982 0.792) 1.546 5.252 ( -0.384 -0.744 -0.891) 1.223 5.283 ( -2.297 -0.129 1.713) 2.869 5.323 ( -1.345 -0.012 -2.171) 2.554 5.403 ( -2.292 0.401 1.495) 2.766 5.408 ( -2.287 -0.445 0.992) 2.532 5.525 ( -4.808 0.039 -0.199) 4.813 5.536 ( -2.611 0.126 -1.191) 2.873 5.693 ( -0.627 -0.161 1.935) 2.041 5.742 ( 0.579 -0.058 -2.728) 2.789 5.983 ( -0.885 -0.255 3.485) 3.605 6.053 ( -1.225 -0.077 -3.076) 3.312 6.173 ( -1.255 0.004 1.030) 1.623 6.192 ( 0.310 -0.435 -0.622) 0.820 6.368 ( 4.759 -0.116 0.602) 4.798 6.381 ( 4.664 -0.088 -0.594) 4.703 ======================= Grid point 234 (89/98) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -5.409 3.907 1.728) 6.893 1.324 ( -6.745 0.258 -6.051) 9.065 1.423 ( -1.838 4.100 5.755) 7.301 1.502 ( -5.077 0.264 0.471) 5.105 1.529 ( -2.476 -3.147 -1.794) 4.388 1.583 ( -5.425 -3.179 0.689) 6.325 1.605 ( -3.401 1.868 0.234) 3.887 1.642 ( -4.859 0.855 1.346) 5.114 1.727 ( -2.765 -5.545 3.699) 7.216 1.742 ( -4.395 -2.844 -0.525) 5.261 1.855 ( -3.107 2.748 4.161) 5.875 1.951 ( -4.803 -0.007 -4.527) 6.600 2.079 ( -2.980 -2.321 0.368) 3.795 2.104 ( -1.389 -4.939 -0.631) 5.169 2.293 ( -1.077 1.863 2.951) 3.653 2.336 ( -0.364 1.595 1.480) 2.206 2.365 ( 0.987 -0.367 -1.131) 1.545 2.419 ( -8.656 0.706 -5.147) 10.096 2.497 ( -3.625 2.064 3.127) 5.213 2.552 ( -5.315 -2.725 2.311) 6.404 2.563 ( -5.236 0.128 -7.856) 9.442 2.683 ( 1.572 -0.955 -7.546) 7.767 2.698 ( -3.998 -1.032 1.285) 4.325 2.731 ( -3.889 0.281 -1.331) 4.120 2.864 ( -6.853 1.405 2.220) 7.339 2.914 ( -9.337 2.203 -2.006) 9.801 2.991 ( -9.616 6.104 1.058) 11.439 3.008 ( -7.218 5.101 0.482) 8.852 3.100 ( 0.034 1.031 2.161) 2.394 3.137 ( 0.064 -0.926 4.149) 4.252 3.143 ( -1.681 -1.041 -0.280) 1.997 3.201 ( -2.286 -3.512 -0.529) 4.224 3.240 ( -0.472 -1.677 2.820) 3.315 3.280 ( -2.137 -0.408 -1.824) 2.839 3.392 ( -1.813 0.220 0.820) 2.002 3.410 ( 1.308 -0.146 -1.125) 1.732 4.308 ( -3.909 0.788 0.517) 4.021 4.316 ( -3.941 0.387 -0.148) 3.963 4.373 ( -3.549 0.973 0.777) 3.761 4.394 ( -2.765 1.248 -1.201) 3.263 4.482 ( -3.692 -0.226 0.519) 3.735 4.508 ( -2.601 -1.467 -1.914) 3.547 4.557 ( -3.884 -0.974 1.884) 4.425 4.581 ( -2.675 -1.316 -0.048) 2.982 4.763 ( -1.070 1.196 1.964) 2.536 4.806 ( 0.558 1.369 -1.775) 2.310 5.059 ( 1.531 0.024 -0.437) 1.592 5.073 ( 2.329 -0.714 -1.696) 2.969 5.169 ( 2.614 -0.871 1.609) 3.191 5.187 ( 0.515 -0.800 0.226) 0.978 5.255 ( 1.631 -0.452 0.072) 1.694 5.271 ( 1.634 -0.977 -1.135) 2.216 5.300 ( 3.242 -0.090 1.470) 3.561 5.323 ( 1.645 -0.505 -0.484) 1.787 5.382 ( 1.386 0.125 1.663) 2.168 5.403 ( 2.523 -0.021 -0.194) 2.530 5.483 ( 0.246 -0.101 0.712) 0.760 5.519 ( 0.564 0.275 -2.567) 2.642 5.679 ( -1.051 -0.400 2.692) 2.917 5.747 ( -0.290 -0.164 -4.017) 4.031 5.952 ( -2.591 -0.296 3.402) 4.287 6.012 ( -2.932 -0.113 -2.458) 3.828 6.149 ( -1.070 -0.440 2.786) 3.017 6.203 ( 0.540 -0.995 -2.179) 2.456 6.435 ( 2.288 -0.265 0.498) 2.357 6.446 ( 2.149 -0.216 -0.473) 2.211 ======================= Grid point 235 (90/98) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -4.740 9.880 1.369) 11.043 1.186 ( -6.357 4.459 -5.375) 9.444 1.324 ( -5.523 8.665 4.377) 11.169 1.376 ( -7.902 1.682 -1.316) 8.185 1.460 ( -4.407 -1.040 4.372) 6.295 1.515 ( -2.852 -1.159 1.438) 3.398 1.553 ( -2.063 1.056 1.398) 2.706 1.591 ( -0.352 -1.898 -5.468) 5.798 1.704 ( -1.774 -4.135 1.541) 4.756 1.743 ( -1.808 -5.609 2.085) 6.251 1.771 ( -2.071 2.572 2.511) 4.149 1.840 ( -5.022 -1.148 -3.094) 6.009 2.013 ( -6.585 -2.291 0.654) 7.003 2.069 ( -9.294 -3.031 -3.086) 10.251 2.174 ( -9.263 1.879 3.879) 10.217 2.202 ( -3.536 -0.107 1.510) 3.846 2.341 ( -0.122 1.893 0.396) 1.938 2.382 ( -0.093 0.753 -2.378) 2.496 2.413 ( -2.191 0.452 0.201) 2.246 2.503 ( -2.442 1.809 -7.170) 7.787 2.536 ( -0.181 -1.315 6.280) 6.419 2.598 ( -7.925 4.714 0.412) 9.230 2.612 ( -6.109 1.680 -1.295) 6.467 2.694 ( -5.951 3.434 -6.645) 9.558 2.709 ( -2.578 0.200 -0.631) 2.661 2.754 ( -4.283 1.740 -2.694) 5.351 2.785 ( -7.285 4.325 3.385) 9.123 2.860 ( -5.056 1.565 -2.690) 5.937 3.043 ( -4.785 0.804 4.895) 6.893 3.114 ( -2.129 -1.715 -0.493) 2.778 3.132 ( -5.634 -5.865 0.532) 8.150 3.156 ( -0.594 -1.906 -0.746) 2.131 3.243 ( -1.106 -0.651 2.009) 2.384 3.270 ( 1.846 -0.179 0.979) 2.097 3.399 ( 1.638 -1.533 2.659) 3.479 3.469 ( 3.503 -0.296 -3.724) 5.121 4.209 ( -5.568 1.376 0.579) 5.765 4.218 ( -5.462 1.445 -0.261) 5.656 4.263 ( -6.909 1.300 1.347) 7.159 4.292 ( -7.222 -0.310 -1.410) 7.365 4.440 ( -2.162 -1.895 1.600) 3.291 4.479 ( -2.004 -1.433 -0.711) 2.564 4.518 ( -0.922 -2.210 2.102) 3.186 4.589 ( 3.285 -1.316 -3.847) 5.227 4.741 ( -0.432 1.419 3.289) 3.608 4.805 ( 0.241 1.613 -2.432) 2.928 5.082 ( 1.142 -0.139 0.471) 1.243 5.109 ( 1.317 0.072 -1.995) 2.392 5.175 ( -0.888 -1.751 1.911) 2.740 5.205 ( 0.658 -1.101 -0.017) 1.283 5.305 ( 1.819 0.046 -0.822) 1.997 5.315 ( 2.446 -0.266 -1.228) 2.750 5.330 ( 2.113 1.461 4.313) 5.020 5.400 ( 5.020 0.196 -0.971) 5.117 5.464 ( 5.754 0.400 2.444) 6.264 5.489 ( 5.512 1.125 -0.544) 5.652 5.525 ( 3.703 0.160 -0.311) 3.719 5.551 ( 2.818 0.164 -2.794) 3.972 5.655 ( -1.707 -0.382 2.584) 3.120 5.725 ( -2.292 -0.394 -4.425) 4.999 5.888 ( -4.100 -0.091 3.092) 5.136 5.950 ( -3.383 0.074 -2.852) 4.426 6.148 ( 0.646 -0.975 4.550) 4.698 6.226 ( 1.087 -1.827 -2.814) 3.527 6.461 ( 0.358 -0.418 0.366) 0.661 6.469 ( 0.199 -0.322 -0.300) 0.483 ======================= Grid point 236 (91/98) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -2.550 13.089 3.275) 13.732 1.036 ( -6.026 7.709 0.682) 9.808 1.144 ( -6.254 10.303 -3.018) 12.425 1.187 ( -8.596 4.702 -4.343) 10.718 1.417 ( -0.639 0.247 6.764) 6.798 1.501 ( 1.623 1.993 2.986) 3.940 1.524 ( -0.486 0.761 0.240) 0.934 1.608 ( 0.870 0.466 -3.969) 4.090 1.668 ( -3.118 -3.458 0.388) 4.672 1.716 ( -0.998 0.003 3.206) 3.357 1.725 ( -3.038 2.072 -1.765) 4.079 1.798 ( -2.764 5.530 -1.870) 6.459 1.845 ( -8.722 -2.923 1.469) 9.315 1.863 ( -8.562 0.381 0.145) 8.572 2.087 ( -1.161 0.435 3.298) 3.523 2.181 ( 0.251 0.873 -1.929) 2.132 2.279 ( -4.928 1.439 0.528) 5.161 2.337 ( -2.927 4.434 -5.358) 7.545 2.411 ( -3.360 2.643 1.110) 4.417 2.425 ( 0.479 2.306 0.964) 2.545 2.436 ( -4.694 2.258 -0.276) 5.216 2.479 ( -2.915 4.650 -3.462) 6.489 2.549 ( 0.645 -0.460 3.217) 3.313 2.597 ( -2.317 -0.862 -0.511) 2.525 2.650 ( -4.409 2.417 4.351) 6.649 2.670 ( -1.495 -0.657 -0.188) 1.644 2.740 ( -0.586 -0.634 -5.196) 5.267 2.790 ( -2.331 0.454 -6.940) 7.335 2.951 ( -3.679 -0.265 5.752) 6.833 3.055 ( -3.372 -3.614 -3.594) 6.112 3.102 ( -2.130 -6.924 2.226) 7.578 3.156 ( -0.354 -3.287 -2.124) 3.930 3.246 ( 0.794 0.201 5.340) 5.402 3.304 ( 1.659 0.606 0.464) 1.826 3.445 ( 1.557 -2.761 2.803) 4.231 3.526 ( 2.103 -0.427 -4.471) 4.959 4.101 ( -4.401 1.505 0.443) 4.673 4.109 ( -5.017 1.435 -0.201) 5.222 4.125 ( -5.791 0.847 0.792) 5.906 4.146 ( -7.450 -0.367 -1.102) 7.540 4.410 ( -1.613 -1.682 2.268) 3.251 4.456 ( -1.106 -1.237 -1.212) 2.055 4.535 ( 0.783 -2.218 4.668) 5.227 4.673 ( 3.654 -0.982 -8.035) 8.881 4.729 ( -0.001 1.866 3.650) 4.099 4.800 ( 0.307 1.752 -2.766) 3.288 5.103 ( 0.823 -0.479 0.622) 1.138 5.126 ( 0.711 0.077 -0.811) 1.081 5.180 ( -0.001 -2.352 1.412) 2.743 5.222 ( 0.406 -1.594 -1.201) 2.036 5.333 ( 1.202 0.650 0.159) 1.376 5.349 ( 1.624 0.392 0.471) 1.736 5.377 ( 3.187 0.816 5.629) 6.519 5.489 ( 4.362 0.807 -2.002) 4.867 5.560 ( 2.392 1.368 1.120) 2.974 5.565 ( 4.842 1.566 2.367) 5.613 5.596 ( 1.655 0.247 -0.209) 1.686 5.604 ( 2.204 0.315 0.168) 2.232 5.622 ( -0.290 0.513 -1.920) 2.009 5.672 ( -2.738 0.106 -4.518) 5.284 5.805 ( -4.385 0.015 3.241) 5.453 5.890 ( -2.435 1.030 -4.418) 5.149 6.178 ( 1.501 -1.351 5.662) 6.011 6.263 ( 1.339 -2.850 -2.564) 4.060 6.459 ( -0.646 -0.301 0.231) 0.749 6.463 ( -0.723 -0.203 -0.156) 0.767 ======================= Grid point 237 (92/98) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 11.380 6.108) 12.915 0.896 ( 0.000 14.402 6.309) 15.723 1.024 ( 0.000 7.947 -6.826) 10.476 1.064 ( 0.000 8.552 -9.414) 12.718 1.410 ( 0.000 2.128 7.642) 7.933 1.517 ( 0.000 1.006 0.249) 1.036 1.546 ( 0.000 4.532 4.803) 6.603 1.556 ( 0.000 8.749 3.618) 9.468 1.644 ( 0.000 2.284 -4.626) 5.159 1.652 ( 0.000 5.780 -3.000) 6.512 1.696 ( 0.000 0.108 1.221) 1.226 1.733 ( 0.000 1.755 1.295) 2.181 1.775 ( -0.000 -1.450 0.580) 1.562 1.776 ( -0.000 -1.677 0.414) 1.727 2.089 ( -0.000 -1.211 0.055) 1.212 2.211 ( -0.000 -1.012 0.353) 1.072 2.217 ( 0.000 11.635 -9.981) 15.330 2.219 ( -0.000 -0.706 -0.376) 0.800 2.366 ( -0.000 -0.947 0.873) 1.288 2.386 ( -0.000 -0.574 -0.886) 1.056 2.431 ( 0.000 2.512 1.415) 2.883 2.455 ( 0.000 3.246 -0.053) 3.246 2.568 ( 0.000 3.413 6.680) 7.502 2.575 ( -0.000 -0.348 0.445) 0.564 2.584 ( -0.000 -0.889 -0.400) 0.975 2.665 ( -0.000 -1.453 1.259) 1.923 2.730 ( -0.000 -1.053 -4.015) 4.150 2.764 ( 0.000 1.416 -9.236) 9.344 2.923 ( -0.000 -0.915 6.592) 6.656 3.045 ( -0.000 -3.151 -4.511) 5.502 3.124 ( -0.000 -8.732 2.550) 9.097 3.174 ( -0.000 -2.925 -0.696) 3.007 3.255 ( 0.000 0.010 4.882) 4.883 3.318 ( 0.000 0.616 -0.789) 1.001 3.478 ( -0.000 -3.197 2.609) 4.127 3.551 ( -0.000 -0.954 -3.929) 4.044 4.038 ( 0.000 1.324 0.020) 1.324 4.040 ( 0.000 1.392 -0.211) 1.408 4.060 ( 0.000 1.382 0.706) 1.552 4.073 ( 0.000 1.318 -0.513) 1.414 4.404 ( -0.000 -1.886 2.588) 3.203 4.453 ( -0.000 -1.492 -1.259) 1.952 4.556 ( -0.000 -2.207 5.094) 5.551 4.710 ( 0.000 0.303 -8.537) 8.542 4.719 ( 0.000 1.961 3.069) 3.642 4.798 ( 0.000 1.062 -3.798) 3.944 5.115 ( -0.000 -0.783 0.328) 0.849 5.134 ( -0.000 -0.043 -0.717) 0.719 5.194 ( -0.000 -2.450 1.608) 2.930 5.236 ( -0.000 -1.604 -1.080) 1.934 5.340 ( 0.000 1.082 0.177) 1.096 5.363 ( 0.000 0.380 -1.518) 1.565 5.427 ( -0.000 -0.425 9.941) 9.950 5.545 ( 0.000 1.564 1.304) 2.036 5.557 ( -0.000 -0.374 0.297) 0.478 5.564 ( -0.000 -0.319 -0.332) 0.461 5.612 ( 0.000 3.375 -1.800) 3.825 5.632 ( 0.000 1.296 -3.441) 3.677 5.639 ( 0.000 0.676 0.269) 0.728 5.644 ( 0.000 0.726 -0.234) 0.763 5.749 ( -0.000 -0.199 2.120) 2.130 5.854 ( 0.000 2.210 -5.684) 6.099 6.205 ( -0.000 -2.142 6.774) 7.105 6.297 ( -0.000 -3.883 -2.335) 4.531 6.450 ( 0.000 0.069 0.166) 0.179 6.454 ( 0.000 0.076 -0.166) 0.183 ======================= Grid point 246 (93/98) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -3.110 -0.000 0.207) 3.116 1.323 ( -6.139 -0.000 -4.850) 7.823 1.455 ( 0.884 0.000 5.927) 5.993 1.474 ( -6.532 -0.000 0.984) 6.606 1.536 ( -1.860 -0.000 0.428) 1.908 1.551 ( -6.031 -0.000 -5.811) 8.375 1.633 ( -3.166 -0.000 1.681) 3.585 1.654 ( -2.795 -0.000 4.505) 5.301 1.677 ( -4.827 -0.000 5.931) 7.647 1.724 ( -6.127 -0.000 -1.644) 6.344 1.877 ( -2.576 -0.000 2.478) 3.574 1.951 ( -4.899 -0.000 -4.074) 6.372 2.061 ( -1.291 -0.000 0.095) 1.294 2.077 ( -3.559 -0.000 -1.330) 3.800 2.304 ( -1.156 -0.000 2.930) 3.150 2.354 ( 1.650 0.000 -0.117) 1.654 2.354 ( -0.180 -0.000 0.541) 0.570 2.424 ( -8.882 -0.000 -4.572) 9.990 2.518 ( -0.404 -0.000 6.351) 6.364 2.527 ( -9.525 -0.000 -1.305) 9.614 2.565 ( -4.843 -0.000 -7.833) 9.209 2.676 ( 1.130 0.000 -8.310) 8.387 2.694 ( -2.925 -0.000 2.188) 3.652 2.732 ( -3.594 -0.000 -1.500) 3.895 2.871 ( -6.216 -0.000 2.500) 6.700 2.926 ( -8.829 -0.000 -2.082) 9.072 3.029 ( -8.369 -0.000 0.672) 8.396 3.044 ( -7.911 -0.000 0.517) 7.928 3.106 ( -0.071 -0.000 2.631) 2.631 3.121 ( -2.214 -0.000 3.519) 4.158 3.147 ( -0.866 -0.000 0.321) 0.924 3.171 ( -3.277 -0.000 -0.820) 3.378 3.231 ( 0.383 0.000 3.068) 3.091 3.278 ( -1.953 -0.000 -1.850) 2.690 3.393 ( -2.234 -0.000 0.694) 2.339 3.409 ( 1.169 0.000 -1.140) 1.633 4.313 ( -3.932 -0.000 0.343) 3.947 4.318 ( -3.806 -0.000 -0.082) 3.807 4.377 ( -2.958 -0.000 0.956) 3.108 4.402 ( -2.483 -0.000 -1.173) 2.746 4.482 ( -4.757 -0.000 -0.054) 4.757 4.501 ( -3.398 -0.000 -1.799) 3.845 4.551 ( -4.024 -0.000 2.108) 4.543 4.573 ( -2.338 -0.000 0.184) 2.345 4.770 ( -1.254 -0.000 1.995) 2.356 4.814 ( 0.404 0.000 -1.833) 1.877 5.059 ( 1.509 0.000 -0.742) 1.682 5.068 ( 2.769 0.000 -1.517) 3.158 5.165 ( 2.850 0.000 1.776) 3.359 5.182 ( 0.344 0.000 0.245) 0.422 5.252 ( 1.851 0.000 -0.251) 1.868 5.265 ( 2.049 0.000 -1.148) 2.349 5.301 ( 4.403 0.000 1.490) 4.649 5.320 ( 0.989 0.000 -0.222) 1.014 5.383 ( 1.168 0.000 1.607) 1.987 5.403 ( 2.798 0.000 -0.179) 2.804 5.483 ( 0.203 0.000 0.793) 0.819 5.521 ( 0.557 0.000 -2.681) 2.739 5.677 ( -1.048 -0.000 2.717) 2.912 5.746 ( -0.329 -0.000 -4.146) 4.159 5.950 ( -2.515 -0.000 3.568) 4.365 6.012 ( -2.914 -0.000 -2.397) 3.774 6.147 ( -1.169 -0.000 2.560) 2.814 6.197 ( 0.471 0.000 -2.080) 2.132 6.434 ( 2.278 0.000 0.505) 2.333 6.445 ( 2.140 0.000 -0.490) 2.195 ======================= Grid point 248 (94/98) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -2.901 6.895 -1.442) 7.618 1.225 ( -4.048 2.142 -3.472) 5.747 1.338 ( -7.559 -3.181 1.718) 8.380 1.414 ( -7.805 1.489 -4.590) 9.176 1.460 ( -1.617 3.577 7.110) 8.122 1.500 ( -1.760 -2.325 4.032) 4.976 1.567 ( -2.233 1.565 -0.652) 2.803 1.598 ( -3.721 2.336 -3.390) 5.549 1.657 ( 1.325 -3.024 3.391) 4.733 1.679 ( 1.413 -5.475 3.053) 6.426 1.805 ( -3.959 2.943 1.499) 5.156 1.828 ( -5.517 -1.315 -0.747) 5.721 1.998 ( -5.807 -0.321 -2.125) 6.192 2.033 ( -6.300 -2.723 -4.772) 8.360 2.187 ( -10.680 0.604 3.751) 11.336 2.202 ( -5.015 0.007 2.417) 5.567 2.363 ( 0.037 1.851 0.349) 1.884 2.381 ( 0.853 -0.844 0.520) 1.307 2.416 ( -2.401 0.176 -0.972) 2.596 2.514 ( -0.622 0.201 -5.166) 5.207 2.529 ( -0.401 -0.073 3.335) 3.360 2.610 ( -4.461 -0.082 0.111) 4.463 2.641 ( -6.301 1.735 -1.206) 6.646 2.701 ( -0.057 -0.292 -7.053) 7.060 2.737 ( -7.458 2.132 -0.550) 7.776 2.770 ( -6.477 0.963 -1.665) 6.757 2.838 ( -8.125 4.408 1.351) 9.342 2.876 ( -7.129 0.960 -1.668) 7.385 3.029 ( -7.539 -2.735 6.157) 10.111 3.071 ( -4.387 -2.916 1.879) 5.593 3.114 ( -2.187 0.632 -2.109) 3.103 3.138 ( -1.871 -1.508 -1.572) 2.872 3.238 ( -0.823 -0.160 2.260) 2.410 3.270 ( 2.597 0.090 0.909) 2.753 3.386 ( 0.969 -0.612 3.222) 3.420 3.468 ( 3.649 -0.025 -4.190) 5.556 4.219 ( -5.517 0.426 0.507) 5.557 4.228 ( -5.270 0.413 -0.342) 5.297 4.275 ( -7.464 0.667 1.000) 7.560 4.292 ( -7.951 0.111 -0.633) 7.977 4.425 ( -1.896 -0.747 1.378) 2.460 4.468 ( -1.509 -0.533 -2.056) 2.605 4.500 ( -0.910 -0.936 3.601) 3.830 4.578 ( 3.301 -0.496 -3.730) 5.006 4.752 ( -0.413 0.499 3.399) 3.460 4.817 ( 0.222 0.584 -2.486) 2.564 5.081 ( 1.014 -0.056 0.425) 1.101 5.111 ( 1.688 0.112 -2.379) 2.919 5.161 ( -1.330 -0.734 2.276) 2.737 5.197 ( 0.514 -0.438 -0.251) 0.721 5.304 ( 1.947 -0.077 -0.507) 2.013 5.314 ( 3.011 0.021 -1.190) 3.238 5.342 ( 1.847 0.619 3.807) 4.277 5.402 ( 5.577 0.069 -0.567) 5.606 5.466 ( 6.146 0.075 2.691) 6.710 5.498 ( 6.016 0.539 -0.961) 6.116 5.525 ( 3.744 -0.124 -0.126) 3.749 5.552 ( 2.732 0.108 -2.910) 3.992 5.653 ( -1.480 -0.096 2.428) 2.845 5.721 ( -2.423 -0.219 -4.502) 5.118 5.888 ( -3.938 0.004 3.309) 5.143 5.951 ( -3.200 0.029 -2.712) 4.195 6.141 ( 0.629 -0.315 4.045) 4.105 6.212 ( 0.932 -0.646 -2.613) 2.848 6.458 ( 0.390 -0.131 0.382) 0.562 6.466 ( 0.232 -0.104 -0.345) 0.429 ======================= Grid point 249 (95/98) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -4.940 8.757 1.887) 10.230 1.108 ( -3.154 6.750 0.359) 7.459 1.218 ( -7.033 0.642 -2.205) 7.399 1.242 ( -5.635 7.421 -3.876) 10.092 1.408 ( -1.581 -1.954 6.440) 6.914 1.500 ( 1.047 -1.390 1.533) 2.319 1.535 ( -0.381 1.124 -1.259) 1.730 1.588 ( 0.849 -3.670 -4.491) 5.862 1.666 ( -2.203 3.257 3.816) 5.479 1.716 ( 0.375 0.989 1.206) 1.605 1.749 ( -2.374 0.922 0.227) 2.557 1.784 ( -1.862 -4.615 1.004) 5.077 1.849 ( -7.492 0.899 -2.324) 7.895 1.877 ( -4.250 1.610 -2.579) 5.226 2.092 ( -0.338 0.291 6.171) 6.187 2.178 ( 0.285 -0.744 -0.778) 1.113 2.305 ( -5.039 2.723 1.048) 5.823 2.362 ( -1.556 0.843 -2.437) 3.011 2.428 ( 1.600 0.741 3.754) 4.147 2.459 ( -7.006 2.711 0.349) 7.520 2.481 ( -3.225 5.500 -2.382) 6.806 2.529 ( -3.321 3.311 -4.146) 6.259 2.545 ( 0.968 -0.222 1.378) 1.699 2.590 ( -3.496 0.035 0.021) 3.496 2.665 ( -2.572 0.092 -1.477) 2.967 2.677 ( -3.995 1.624 2.618) 5.045 2.736 ( -1.712 1.084 -4.367) 4.815 2.795 ( -1.826 0.058 -5.347) 5.650 2.921 ( -5.440 -5.571 5.452) 9.506 2.996 ( -4.570 -4.871 -0.825) 6.730 3.067 ( -1.982 -0.577 -0.456) 2.114 3.116 ( -1.306 -3.725 -4.610) 6.069 3.251 ( 1.292 0.414 6.399) 6.542 3.314 ( 2.107 1.107 1.061) 2.606 3.418 ( 1.244 -2.010 3.953) 4.605 3.525 ( 2.145 0.064 -5.635) 6.029 4.115 ( -4.601 0.894 0.471) 4.711 4.122 ( -5.734 0.869 -0.061) 5.800 4.133 ( -5.445 0.651 0.269) 5.490 4.143 ( -6.446 -0.228 -0.537) 6.473 4.396 ( -1.383 -0.894 2.141) 2.701 4.446 ( -0.956 -0.630 -2.092) 2.385 4.516 ( 1.090 -1.250 5.937) 6.164 4.663 ( 4.013 -0.697 -7.850) 8.843 4.746 ( 0.076 1.094 3.840) 3.993 4.817 ( 0.237 1.175 -2.673) 2.929 5.098 ( 0.625 -0.338 0.874) 1.127 5.129 ( 0.555 0.454 -0.907) 1.156 5.157 ( -0.048 -1.917 1.316) 2.325 5.207 ( 0.255 -1.113 -1.728) 2.071 5.337 ( 1.358 0.116 1.108) 1.756 5.355 ( 1.545 0.480 -0.666) 1.750 5.384 ( 2.821 0.496 5.871) 6.533 5.496 ( 4.365 0.545 -2.095) 4.872 5.572 ( 1.755 0.749 0.951) 2.132 5.578 ( 4.626 0.926 2.279) 5.239 5.593 ( 1.258 -0.464 0.701) 1.513 5.608 ( 2.575 0.227 0.060) 2.586 5.629 ( 0.273 0.581 -2.753) 2.827 5.672 ( -1.760 -0.092 -4.768) 5.083 5.807 ( -4.244 0.284 3.930) 5.791 5.900 ( -1.810 0.634 -4.475) 4.869 6.168 ( 1.541 -0.561 4.618) 4.900 6.239 ( 1.165 -1.490 -2.159) 2.870 6.457 ( -0.448 -0.119 0.244) 0.523 6.462 ( -0.568 -0.083 -0.210) 0.611 ======================= Grid point 250 (96/98) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 7.304 4.808) 8.744 1.043 ( 0.000 12.332 4.025) 12.972 1.097 ( 0.000 5.283 -5.344) 7.515 1.156 ( 0.000 8.462 -6.180) 10.478 1.409 ( -0.000 -1.899 6.068) 6.358 1.527 ( 0.000 0.410 -2.930) 2.959 1.555 ( -0.000 -3.986 1.677) 4.324 1.594 ( 0.000 4.360 3.632) 5.675 1.633 ( -0.000 -5.257 -3.778) 6.473 1.667 ( 0.000 1.696 -3.129) 3.559 1.737 ( 0.000 4.618 4.235) 6.266 1.754 ( -0.000 -1.612 0.618) 1.727 1.767 ( -0.000 -0.831 -0.434) 0.938 1.841 ( 0.000 11.209 -2.017) 11.389 2.102 ( 0.000 4.234 8.160) 9.194 2.195 ( -0.000 -1.549 0.588) 1.656 2.207 ( -0.000 -1.275 -0.512) 1.374 2.346 ( 0.000 11.132 -10.629) 15.391 2.358 ( -0.000 -0.568 1.127) 1.262 2.383 ( -0.000 -0.050 -1.108) 1.109 2.452 ( 0.000 1.587 3.378) 3.732 2.494 ( 0.000 3.691 -1.092) 3.849 2.572 ( -0.000 -0.183 0.221) 0.287 2.577 ( -0.000 -0.493 -0.200) 0.532 2.607 ( 0.000 3.446 5.018) 6.087 2.645 ( -0.000 -1.914 0.610) 2.008 2.714 ( -0.000 -1.336 -4.874) 5.054 2.778 ( 0.000 1.056 -7.569) 7.642 2.897 ( -0.000 -4.565 5.599) 7.224 2.985 ( -0.000 -7.236 -1.693) 7.431 3.057 ( -0.000 -2.957 0.994) 3.120 3.129 ( -0.000 -4.816 -5.244) 7.120 3.262 ( 0.000 0.875 6.887) 6.942 3.329 ( 0.000 1.388 1.102) 1.772 3.445 ( -0.000 -2.773 3.508) 4.472 3.546 ( -0.000 -0.087 -5.528) 5.529 4.050 ( 0.000 0.918 0.052) 0.920 4.053 ( 0.000 0.973 -0.244) 1.003 4.073 ( 0.000 0.998 0.680) 1.208 4.085 ( 0.000 0.959 -0.487) 1.076 4.388 ( -0.000 -1.090 2.441) 2.673 4.441 ( -0.000 -0.782 -2.048) 2.193 4.535 ( -0.000 -1.476 6.529) 6.693 4.708 ( -0.000 -0.505 -9.706) 9.719 4.740 ( 0.000 1.640 3.859) 4.193 4.812 ( 0.000 1.446 -2.848) 3.194 5.107 ( -0.000 -0.673 0.888) 1.114 5.134 ( -0.000 -0.007 -0.446) 0.446 5.169 ( -0.000 -2.186 1.062) 2.431 5.217 ( -0.000 -1.595 -1.808) 2.411 5.349 ( 0.000 0.448 0.654) 0.793 5.368 ( 0.000 0.449 -1.085) 1.174 5.425 ( 0.000 0.010 9.137) 9.137 5.554 ( -0.000 -0.243 0.320) 0.402 5.560 ( 0.000 1.207 0.781) 1.437 5.561 ( -0.000 -0.202 -0.358) 0.411 5.630 ( 0.000 0.615 -4.538) 4.580 5.645 ( 0.000 0.450 0.291) 0.536 5.651 ( 0.000 0.484 -0.254) 0.546 5.654 ( 0.000 2.070 -2.570) 3.300 5.749 ( 0.000 0.266 4.444) 4.452 5.876 ( 0.000 1.646 -5.992) 6.214 6.189 ( -0.000 -0.884 5.193) 5.268 6.263 ( -0.000 -2.365 -1.892) 3.029 6.451 ( 0.000 0.049 0.168) 0.175 6.454 ( 0.000 0.054 -0.169) 0.177 ======================= Grid point 261 (97/98) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -6.694 -0.000 2.054) 7.002 1.191 ( -3.803 -0.000 2.564) 4.587 1.192 ( -3.484 -0.000 -3.953) 5.269 1.289 ( -4.142 -0.000 -6.108) 7.380 1.389 ( -3.649 -0.000 7.568) 8.402 1.490 ( -0.296 -0.000 1.026) 1.068 1.552 ( 0.483 0.000 -0.671) 0.827 1.553 ( -0.339 -0.000 -4.563) 4.575 1.713 ( -1.390 -0.000 4.207) 4.431 1.717 ( -0.080 -0.000 2.883) 2.884 1.732 ( -0.076 -0.000 1.660) 1.662 1.761 ( -2.297 -0.000 -1.436) 2.709 1.853 ( -8.611 -0.000 -2.617) 9.000 1.885 ( -1.024 -0.000 -4.235) 4.358 2.093 ( 0.111 0.000 6.637) 6.638 2.173 ( 0.323 0.000 -0.518) 0.610 2.322 ( -4.323 -0.000 0.834) 4.402 2.366 ( -1.653 -0.000 -1.556) 2.270 2.431 ( 2.286 0.000 4.531) 5.074 2.476 ( -7.281 -0.000 1.054) 7.357 2.524 ( -1.654 -0.000 -3.794) 4.139 2.536 ( -3.848 -0.000 -3.547) 5.233 2.542 ( 1.502 0.000 3.166) 3.504 2.596 ( -5.716 -0.000 -1.824) 6.000 2.674 ( -3.844 -0.000 -0.782) 3.922 2.675 ( -2.552 -0.000 -1.571) 2.997 2.774 ( -1.229 -0.000 -4.351) 4.522 2.775 ( -3.361 -0.000 -1.994) 3.909 2.876 ( -5.918 -0.000 5.862) 8.330 2.969 ( -4.933 -0.000 -1.893) 5.284 3.070 ( -2.826 -0.000 -1.329) 3.122 3.089 ( -1.071 -0.000 -4.058) 4.197 3.253 ( 1.459 0.000 6.637) 6.795 3.322 ( 2.367 0.000 0.648) 2.454 3.406 ( 1.045 0.000 4.846) 4.957 3.525 ( 2.160 0.000 -6.071) 6.444 4.120 ( -4.610 -0.000 0.498) 4.637 4.127 ( -6.131 -0.000 0.027) 6.131 4.138 ( -4.736 -0.000 -0.153) 4.738 4.140 ( -6.652 -0.000 -0.188) 6.654 4.391 ( -1.274 -0.000 2.086) 2.444 4.443 ( -0.888 -0.000 -2.512) 2.665 4.509 ( 1.228 0.000 6.494) 6.609 4.659 ( 4.110 0.000 -7.725) 8.750 4.752 ( 0.126 0.000 3.923) 3.926 4.823 ( 0.260 0.000 -2.666) 2.679 5.096 ( 0.565 0.000 0.970) 1.122 5.135 ( 0.754 0.000 -2.612) 2.719 5.143 ( -0.347 -0.000 2.933) 2.953 5.200 ( 0.186 0.000 -1.907) 1.916 5.337 ( 1.403 0.000 1.438) 2.009 5.358 ( 1.492 0.000 -1.177) 1.901 5.387 ( 2.702 0.000 6.079) 6.652 5.499 ( 4.340 0.000 -2.132) 4.836 5.576 ( 1.679 0.000 0.984) 1.946 5.586 ( 4.166 0.000 2.261) 4.740 5.588 ( 1.811 0.000 0.708) 1.945 5.609 ( 2.231 0.000 0.017) 2.231 5.632 ( 0.390 0.000 -2.952) 2.978 5.672 ( -1.317 -0.000 -4.685) 4.866 5.809 ( -4.163 -0.000 4.089) 5.835 5.903 ( -1.583 -0.000 -4.476) 4.748 6.165 ( 1.578 0.000 4.244) 4.528 6.231 ( 1.122 0.000 -1.992) 2.286 6.456 ( -0.386 -0.000 0.247) 0.458 6.461 ( -0.518 -0.000 -0.223) 0.564 ======================= Grid point 263 (98/98) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 2.493 4.194) 4.879 1.136 ( 0.000 1.837 -4.605) 4.958 1.147 ( 0.000 5.726 2.699) 6.330 1.240 ( 0.000 6.221 -5.364) 8.215 1.372 ( -0.000 -4.272 6.797) 8.028 1.503 ( -0.000 -2.472 -2.421) 3.460 1.548 ( 0.000 1.515 -0.760) 1.695 1.580 ( -0.000 -3.884 -1.900) 4.323 1.635 ( 0.000 2.779 2.619) 3.819 1.675 ( -0.000 -0.337 -0.812) 0.879 1.744 ( -0.000 -0.102 -0.130) 0.165 1.758 ( -0.000 -0.771 -1.249) 1.468 1.774 ( 0.000 1.897 4.056) 4.478 1.911 ( 0.000 2.337 -7.407) 7.767 2.165 ( 0.000 4.880 13.426) 14.285 2.182 ( -0.000 -0.696 0.671) 0.967 2.196 ( -0.000 -0.678 -0.558) 0.878 2.354 ( -0.000 -0.185 1.342) 1.354 2.383 ( 0.000 0.045 -1.291) 1.292 2.433 ( 0.000 3.518 -4.354) 5.598 2.473 ( 0.000 2.831 -0.762) 2.932 2.523 ( 0.000 0.844 -0.727) 1.114 2.571 ( -0.000 -0.053 0.123) 0.134 2.573 ( -0.000 -0.149 -0.103) 0.180 2.625 ( 0.000 0.090 0.608) 0.615 2.635 ( -0.000 -0.327 1.010) 1.062 2.723 ( 0.000 3.653 -2.865) 4.643 2.778 ( -0.000 -2.130 -6.009) 6.375 2.832 ( -0.000 -4.945 4.838) 6.918 2.925 ( -0.000 -3.292 -2.796) 4.319 3.043 ( -0.000 -0.204 -0.263) 0.333 3.086 ( -0.000 -2.455 -5.203) 5.753 3.269 ( 0.000 0.375 7.457) 7.467 3.344 ( 0.000 1.053 0.892) 1.380 3.421 ( -0.000 -1.387 4.901) 5.094 3.546 ( 0.000 0.072 -6.502) 6.503 4.057 ( 0.000 0.328 0.070) 0.335 4.060 ( 0.000 0.348 -0.264) 0.437 4.080 ( 0.000 0.364 0.670) 0.762 4.092 ( 0.000 0.352 -0.474) 0.590 4.380 ( -0.000 -0.354 2.336) 2.362 4.435 ( -0.000 -0.253 -2.644) 2.656 4.524 ( -0.000 -0.516 7.438) 7.456 4.703 ( -0.000 -0.273 -9.480) 9.484 4.752 ( 0.000 0.638 3.944) 3.995 4.825 ( 0.000 0.652 -2.671) 2.749 5.102 ( -0.000 -0.246 1.176) 1.202 5.137 ( 0.000 0.638 0.121) 0.649 5.148 ( -0.000 -1.525 0.316) 1.558 5.204 ( -0.000 -0.663 -2.197) 2.295 5.351 ( 0.000 0.083 1.209) 1.212 5.371 ( 0.000 0.185 -1.165) 1.179 5.426 ( 0.000 0.058 8.626) 8.627 5.552 ( -0.000 -0.084 0.334) 0.344 5.560 ( -0.000 -0.069 -0.373) 0.379 5.570 ( 0.000 0.471 0.324) 0.572 5.633 ( 0.000 0.148 -4.814) 4.816 5.648 ( 0.000 0.157 0.303) 0.342 5.654 ( 0.000 0.170 -0.265) 0.315 5.669 ( 0.000 0.628 -3.364) 3.422 5.753 ( 0.000 0.247 5.892) 5.898 5.888 ( 0.000 0.598 -6.059) 6.089 6.184 ( -0.000 -0.228 4.350) 4.356 6.246 ( -0.000 -0.788 -1.536) 1.726 6.451 ( 0.000 0.018 0.170) 0.171 6.455 ( 0.000 0.019 -0.170) 0.172 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33462 10.0 331.197 529.244 174.368 0.000 0.000 0.000 3/33462 20.0 50.684 43.870 21.144 0.000 0.000 0.000 3/33462 30.0 20.972 15.772 8.453 0.000 0.000 0.000 3/33462 40.0 12.405 8.874 5.027 0.000 0.000 0.000 3/33462 50.0 8.625 6.032 3.523 0.000 0.000 0.000 3/33462 60.0 6.576 4.537 2.701 0.000 0.000 0.000 3/33462 70.0 5.316 3.630 2.190 0.000 0.000 0.000 3/33462 80.0 4.469 3.027 1.844 0.000 0.000 0.000 3/33462 90.0 3.863 2.599 1.596 0.000 0.000 0.000 3/33462 100.0 3.408 2.279 1.408 0.000 0.000 0.000 3/33462 110.0 3.053 2.031 1.261 0.000 0.000 0.000 3/33462 120.0 2.768 1.834 1.143 0.000 0.000 0.000 3/33462 130.0 2.534 1.673 1.046 0.000 0.000 0.000 3/33462 140.0 2.338 1.538 0.965 0.000 0.000 0.000 3/33462 150.0 2.171 1.424 0.896 0.000 0.000 0.000 3/33462 160.0 2.027 1.327 0.836 0.000 0.000 0.000 3/33462 170.0 1.902 1.242 0.784 0.000 0.000 0.000 3/33462 180.0 1.792 1.168 0.739 0.000 0.000 0.000 3/33462 190.0 1.694 1.102 0.698 0.000 0.000 0.000 3/33462 200.0 1.606 1.043 0.662 0.000 0.000 0.000 3/33462 210.0 1.527 0.991 0.629 0.000 0.000 0.000 3/33462 220.0 1.456 0.944 0.600 0.000 0.000 0.000 3/33462 230.0 1.391 0.901 0.573 0.000 0.000 0.000 3/33462 240.0 1.332 0.862 0.549 0.000 0.000 0.000 3/33462 250.0 1.278 0.826 0.526 0.000 0.000 0.000 3/33462 260.0 1.228 0.793 0.506 0.000 0.000 0.000 3/33462 270.0 1.182 0.762 0.487 0.000 0.000 0.000 3/33462 280.0 1.139 0.734 0.469 0.000 0.000 0.000 3/33462 290.0 1.100 0.708 0.453 0.000 0.000 0.000 3/33462 300.0 1.063 0.684 0.437 0.000 0.000 0.000 3/33462 310.0 1.028 0.661 0.423 0.000 0.000 0.000 3/33462 320.0 0.996 0.640 0.410 0.000 0.000 0.000 3/33462 330.0 0.965 0.620 0.397 0.000 0.000 0.000 3/33462 340.0 0.937 0.602 0.385 0.000 0.000 0.000 3/33462 350.0 0.910 0.584 0.374 0.000 0.000 0.000 3/33462 360.0 0.884 0.568 0.364 0.000 0.000 0.000 3/33462 370.0 0.860 0.552 0.354 0.000 0.000 0.000 3/33462 380.0 0.838 0.537 0.345 0.000 0.000 0.000 3/33462 390.0 0.816 0.523 0.336 0.000 0.000 0.000 3/33462 400.0 0.796 0.510 0.327 0.000 0.000 0.000 3/33462 410.0 0.776 0.498 0.319 0.000 0.000 0.000 3/33462 420.0 0.758 0.486 0.312 0.000 0.000 0.000 3/33462 430.0 0.740 0.474 0.304 0.000 0.000 0.000 3/33462 440.0 0.723 0.463 0.297 0.000 0.000 0.000 3/33462 450.0 0.707 0.453 0.291 0.000 0.000 0.000 3/33462 460.0 0.692 0.443 0.284 0.000 0.000 0.000 3/33462 470.0 0.677 0.433 0.278 0.000 0.000 0.000 3/33462 480.0 0.663 0.424 0.273 0.000 0.000 0.000 3/33462 490.0 0.649 0.416 0.267 0.000 0.000 0.000 3/33462 500.0 0.636 0.407 0.262 0.000 0.000 0.000 3/33462 510.0 0.624 0.399 0.256 0.000 0.000 0.000 3/33462 520.0 0.612 0.391 0.252 0.000 0.000 0.000 3/33462 530.0 0.600 0.384 0.247 0.000 0.000 0.000 3/33462 540.0 0.589 0.377 0.242 0.000 0.000 0.000 3/33462 550.0 0.579 0.370 0.238 0.000 0.000 0.000 3/33462 560.0 0.568 0.363 0.234 0.000 0.000 0.000 3/33462 570.0 0.558 0.357 0.229 0.000 0.000 0.000 3/33462 580.0 0.549 0.351 0.225 0.000 0.000 0.000 3/33462 590.0 0.539 0.345 0.222 0.000 0.000 0.000 3/33462 600.0 0.530 0.339 0.218 0.000 0.000 0.000 3/33462 610.0 0.522 0.333 0.214 0.000 0.000 0.000 3/33462 620.0 0.513 0.328 0.211 0.000 0.000 0.000 3/33462 630.0 0.505 0.323 0.208 0.000 0.000 0.000 3/33462 640.0 0.497 0.318 0.204 0.000 0.000 0.000 3/33462 650.0 0.490 0.313 0.201 0.000 0.000 0.000 3/33462 660.0 0.482 0.308 0.198 0.000 0.000 0.000 3/33462 670.0 0.475 0.303 0.195 0.000 0.000 0.000 3/33462 680.0 0.468 0.299 0.192 0.000 0.000 0.000 3/33462 690.0 0.461 0.294 0.190 0.000 0.000 0.000 3/33462 700.0 0.455 0.290 0.187 0.000 0.000 0.000 3/33462 710.0 0.448 0.286 0.184 0.000 0.000 0.000 3/33462 720.0 0.442 0.282 0.182 0.000 0.000 0.000 3/33462 730.0 0.436 0.278 0.179 0.000 0.000 0.000 3/33462 740.0 0.430 0.274 0.177 0.000 0.000 0.000 3/33462 750.0 0.424 0.271 0.174 0.000 0.000 0.000 3/33462 760.0 0.419 0.267 0.172 0.000 0.000 0.000 3/33462 770.0 0.413 0.264 0.170 0.000 0.000 0.000 3/33462 780.0 0.408 0.260 0.168 0.000 0.000 0.000 3/33462 790.0 0.403 0.257 0.166 0.000 0.000 0.000 3/33462 800.0 0.398 0.254 0.163 0.000 0.000 0.000 3/33462 810.0 0.393 0.251 0.161 0.000 0.000 0.000 3/33462 820.0 0.388 0.248 0.159 0.000 0.000 0.000 3/33462 830.0 0.384 0.245 0.158 0.000 0.000 0.000 3/33462 840.0 0.379 0.242 0.156 0.000 0.000 0.000 3/33462 850.0 0.375 0.239 0.154 0.000 0.000 0.000 3/33462 860.0 0.370 0.236 0.152 0.000 0.000 0.000 3/33462 870.0 0.366 0.233 0.150 0.000 0.000 0.000 3/33462 880.0 0.362 0.231 0.149 0.000 0.000 0.000 3/33462 890.0 0.358 0.228 0.147 0.000 0.000 0.000 3/33462 900.0 0.354 0.226 0.145 0.000 0.000 0.000 3/33462 910.0 0.350 0.223 0.144 0.000 0.000 0.000 3/33462 920.0 0.346 0.221 0.142 0.000 0.000 0.000 3/33462 930.0 0.342 0.218 0.141 0.000 0.000 0.000 3/33462 940.0 0.339 0.216 0.139 0.000 0.000 0.000 3/33462 950.0 0.335 0.214 0.138 0.000 0.000 0.000 3/33462 960.0 0.332 0.211 0.136 0.000 0.000 0.000 3/33462 970.0 0.328 0.209 0.135 0.000 0.000 0.000 3/33462 980.0 0.325 0.207 0.133 0.000 0.000 0.000 3/33462 990.0 0.322 0.205 0.132 0.000 0.000 0.000 3/33462 1000.0 0.319 0.203 0.131 0.000 0.000 0.000 3/33462 Thermal conductivity related properties were written into "kappa-m13133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:35:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|